ID,Type,Value_order,Atom_ID_1,Atom_ID_2,Aromatic_flag,Stereo_config,Ordinal,Details,Sf_ID,Entry_ID,Comp_ID
1,covalent,SING,C2,C1,,,,,7,bmse000001,1
2,covalent,SING,C2,N4,,,,,7,bmse000001,1
3,covalent,SING,C2,H8,,,,,7,bmse000001,1
4,covalent,SING,C2,H9,,,,,7,bmse000001,1
5,covalent,SING,C1,C3,,,,,7,bmse000001,1
6,covalent,SING,C1,H6,,,,,7,bmse000001,1
7,covalent,SING,C1,H7,,,,,7,bmse000001,1
8,covalent,SING,C3,N5,,,,,7,bmse000001,1
9,covalent,SING,C3,H10,,,,,7,bmse000001,1
10,covalent,SING,C3,H11,,,,,7,bmse000001,1
11,covalent,SING,N5,H14,,,,,7,bmse000001,1
12,covalent,SING,N5,H15,,,,,7,bmse000001,1
13,covalent,SING,N4,H12,,,,,7,bmse000001,1
14,covalent,SING,N4,H13,,,,,7,bmse000001,1
1,covalent,SING,P15,O13,,,,,30,bmse000002,1
2,covalent,SING,P15,O9,,,,,30,bmse000002,1
3,covalent,SING,P15,O10,,,,,30,bmse000002,1
4,covalent,DOUB,P15,O11,,,,,30,bmse000002,1
5,covalent,SING,C2,O13,,,,,30,bmse000002,1
6,covalent,SING,O9,H22,,,,,30,bmse000002,1
7,covalent,SING,O10,H23,,,,,30,bmse000002,1
8,covalent,SING,C2,C3,,,,,30,bmse000002,1
9,covalent,SING,C2,C1,,,,,30,bmse000002,1
10,covalent,SING,C2,H18,,,,,30,bmse000002,1
11,covalent,SING,C3,O4,,,,,30,bmse000002,1
12,covalent,DOUB,C3,O5,,,,,30,bmse000002,1
13,covalent,SING,C1,O12,,,,,30,bmse000002,1
14,covalent,SING,C1,H16,,,,,30,bmse000002,1
15,covalent,SING,C1,H17,,,,,30,bmse000002,1
16,covalent,SING,O4,H19,,,,,30,bmse000002,1
17,covalent,SING,O12,P14,,,,,30,bmse000002,1
18,covalent,SING,P14,O6,,,,,30,bmse000002,1
19,covalent,SING,P14,O7,,,,,30,bmse000002,1
20,covalent,DOUB,P14,O8,,,,,30,bmse000002,1
21,covalent,SING,O6,H20,,,,,30,bmse000002,1
22,covalent,SING,O7,H21,,,,,30,bmse000002,1
1,covalent,SING,O16,C2,,,,,55,bmse000003,1
2,covalent,SING,O16,H31,,,,,55,bmse000003,1
3,covalent,SING,C4,O17,,,,,55,bmse000003,1
4,covalent,SING,O17,H32,,,,,55,bmse000003,1
5,covalent,SING,O19,C6,,,,,55,bmse000003,1
6,covalent,SING,O19,C5,,,,,55,bmse000003,1
7,covalent,DOUB,O18,C9,,,,,55,bmse000003,1
8,covalent,SING,N11,C10,,,,,55,bmse000003,1
9,covalent,SING,N11,H28,,,,,55,bmse000003,1
10,covalent,SING,N11,H29,,,,,55,bmse000003,1
11,covalent,SING,C6,N15,,,,,55,bmse000003,1
12,covalent,SING,N15,C8,,,,,55,bmse000003,1
13,covalent,SING,N15,C3,,,,,55,bmse000003,1
14,covalent,SING,N13,C10,,,,,55,bmse000003,1
15,covalent,SING,N13,C8,,,,,55,bmse000003,1
16,covalent,SING,N13,H30,,,,,55,bmse000003,1
17,covalent,DOUB,N14,C10,,,,,55,bmse000003,1
18,covalent,SING,N14,C9,,,,,55,bmse000003,1
19,covalent,SING,N12,C7,,,,,55,bmse000003,1
20,covalent,DOUB,N12,C3,,,,,55,bmse000003,1
21,covalent,SING,C5,C2,,,,,55,bmse000003,1
22,covalent,SING,C2,H22,,,,,55,bmse000003,1
23,covalent,SING,C2,H23,,,,,55,bmse000003,1
24,covalent,SING,C6,C1,,,,,55,bmse000003,1
25,covalent,SING,C6,H27,,,,,55,bmse000003,1
26,covalent,SING,C5,C4,,,,,55,bmse000003,1
27,covalent,SING,C5,H26,,,,,55,bmse000003,1
28,covalent,SING,C4,C1,,,,,55,bmse000003,1
29,covalent,SING,C4,H25,,,,,55,bmse000003,1
30,covalent,SING,C1,H20,,,,,55,bmse000003,1
31,covalent,SING,C1,H21,,,,,55,bmse000003,1
32,covalent,DOUB,C8,C7,,,,,55,bmse000003,1
33,covalent,SING,C9,C7,,,,,55,bmse000003,1
34,covalent,SING,C3,H24,,,,,55,bmse000003,1
1,covalent,DOUB,C2,N12,,,,,76,bmse000004,1
2,covalent,SING,C2,N13,,,,,76,bmse000004,1
3,covalent,SING,C2,H30,,,,,76,bmse000004,1
4,covalent,DOUB,C3,N14,,,,,76,bmse000004,1
5,covalent,SING,C3,N15,,,,,76,bmse000004,1
6,covalent,SING,C3,H31,,,,,76,bmse000004,1
7,covalent,SING,C4,C1,,,,,76,bmse000004,1
8,covalent,SING,C1,O23,,,,,76,bmse000004,1
9,covalent,SING,C1,H28,,,,,76,bmse000004,1
10,covalent,SING,C1,H29,,,,,76,bmse000004,1
11,covalent,DOUB,C5,C8,,,,,76,bmse000004,1
12,covalent,SING,C5,C9,,,,,76,bmse000004,1
13,covalent,SING,C5,N14,,,,,76,bmse000004,1
14,covalent,SING,C8,N11,,,,,76,bmse000004,1
15,covalent,SING,C8,N12,,,,,76,bmse000004,1
16,covalent,DOUB,C9,N13,,,,,76,bmse000004,1
17,covalent,SING,C9,N15,,,,,76,bmse000004,1
18,covalent,SING,C4,C6,,,,,76,bmse000004,1
19,covalent,SING,C4,O24,,,,,76,bmse000004,1
20,covalent,SING,C4,H32,,,,,76,bmse000004,1
21,covalent,SING,C6,C7,,,,,76,bmse000004,1
22,covalent,SING,C6,O16,,,,,76,bmse000004,1
23,covalent,SING,C6,H33,,,,,76,bmse000004,1
24,covalent,SING,C7,C10,,,,,76,bmse000004,1
25,covalent,SING,C7,O17,,,,,76,bmse000004,1
26,covalent,SING,C7,H34,,,,,76,bmse000004,1
27,covalent,SING,C10,N15,,,,,76,bmse000004,1
28,covalent,SING,C10,O24,,,,,76,bmse000004,1
29,covalent,SING,C10,H35,,,,,76,bmse000004,1
30,covalent,SING,N11,H36,,,,,76,bmse000004,1
31,covalent,SING,N11,H37,,,,,76,bmse000004,1
32,covalent,SING,O16,H38,,,,,76,bmse000004,1
33,covalent,SING,O17,H39,,,,,76,bmse000004,1
34,covalent,SING,O18,P26,,,,,76,bmse000004,1
35,covalent,SING,O18,H40,,,,,76,bmse000004,1
36,covalent,SING,O19,P26,,,,,76,bmse000004,1
37,covalent,SING,O19,H41,,,,,76,bmse000004,1
38,covalent,SING,O21,P27,,,,,76,bmse000004,1
39,covalent,SING,O21,H42,,,,,76,bmse000004,1
40,covalent,DOUB,O20,P26,,,,,76,bmse000004,1
41,covalent,DOUB,O22,P27,,,,,76,bmse000004,1
42,covalent,SING,O23,P27,,,,,76,bmse000004,1
43,covalent,SING,O25,P26,,,,,76,bmse000004,1
44,covalent,SING,O25,P27,,,,,76,bmse000004,1
1,covalent,DOUB,C2,N12,,,,,104,bmse000005,1
2,covalent,SING,C2,N13,,,,,104,bmse000005,1
3,covalent,SING,C2,H26,,,,,104,bmse000005,1
4,covalent,DOUB,C3,N14,,,,,104,bmse000005,1
5,covalent,SING,C3,N15,,,,,104,bmse000005,1
6,covalent,SING,C3,H27,,,,,104,bmse000005,1
7,covalent,SING,C4,C1,,,,,104,bmse000005,1
8,covalent,SING,C1,O21,,,,,104,bmse000005,1
9,covalent,SING,C1,H24,,,,,104,bmse000005,1
10,covalent,SING,C1,H25,,,,,104,bmse000005,1
11,covalent,DOUB,C5,C8,,,,,104,bmse000005,1
12,covalent,SING,C5,C9,,,,,104,bmse000005,1
13,covalent,SING,C5,N14,,,,,104,bmse000005,1
14,covalent,SING,C8,N11,,,,,104,bmse000005,1
15,covalent,SING,C8,N12,,,,,104,bmse000005,1
16,covalent,DOUB,C9,N13,,,,,104,bmse000005,1
17,covalent,SING,C9,N15,,,,,104,bmse000005,1
18,covalent,SING,C4,C6,,,,,104,bmse000005,1
19,covalent,SING,C4,O22,,,,,104,bmse000005,1
20,covalent,SING,C4,H28,,,,,104,bmse000005,1
21,covalent,SING,C6,C7,,,,,104,bmse000005,1
22,covalent,SING,C6,O16,,,,,104,bmse000005,1
23,covalent,SING,C6,H29,,,,,104,bmse000005,1
24,covalent,SING,C7,C10,,,,,104,bmse000005,1
25,covalent,SING,C7,O17,,,,,104,bmse000005,1
26,covalent,SING,C7,H30,,,,,104,bmse000005,1
27,covalent,SING,C10,N15,,,,,104,bmse000005,1
28,covalent,SING,C10,O22,,,,,104,bmse000005,1
29,covalent,SING,C10,H31,,,,,104,bmse000005,1
30,covalent,SING,N11,H32,,,,,104,bmse000005,1
31,covalent,SING,N11,H33,,,,,104,bmse000005,1
32,covalent,SING,O16,H34,,,,,104,bmse000005,1
33,covalent,SING,O17,H35,,,,,104,bmse000005,1
34,covalent,SING,O18,P23,,,,,104,bmse000005,1
35,covalent,SING,O18,H36,,,,,104,bmse000005,1
36,covalent,SING,O19,P23,,,,,104,bmse000005,1
37,covalent,SING,O19,H37,,,,,104,bmse000005,1
38,covalent,DOUB,O20,P23,,,,,104,bmse000005,1
39,covalent,SING,O21,P23,,,,,104,bmse000005,1
1,covalent,DOUB,C2,N12,,,,,129,bmse000006,1
2,covalent,SING,C2,N13,,,,,129,bmse000006,1
3,covalent,SING,C2,H34,,,,,129,bmse000006,1
4,covalent,DOUB,C3,N14,,,,,129,bmse000006,1
5,covalent,SING,C3,N15,,,,,129,bmse000006,1
6,covalent,SING,C3,H35,,,,,129,bmse000006,1
7,covalent,SING,C4,C1,,,,,129,bmse000006,1
8,covalent,SING,C1,O25,,,,,129,bmse000006,1
9,covalent,SING,C1,H32,,,,,129,bmse000006,1
10,covalent,SING,C1,H33,,,,,129,bmse000006,1
11,covalent,DOUB,C5,C8,,,,,129,bmse000006,1
12,covalent,SING,C5,C9,,,,,129,bmse000006,1
13,covalent,SING,C5,N14,,,,,129,bmse000006,1
14,covalent,SING,C8,N11,,,,,129,bmse000006,1
15,covalent,SING,C8,N12,,,,,129,bmse000006,1
16,covalent,DOUB,C9,N13,,,,,129,bmse000006,1
17,covalent,SING,C9,N15,,,,,129,bmse000006,1
18,covalent,SING,C4,C6,,,,,129,bmse000006,1
19,covalent,SING,C4,O26,,,,,129,bmse000006,1
20,covalent,SING,C4,H36,,,,,129,bmse000006,1
21,covalent,SING,C6,C7,,,,,129,bmse000006,1
22,covalent,SING,C6,O16,,,,,129,bmse000006,1
23,covalent,SING,C6,H37,,,,,129,bmse000006,1
24,covalent,SING,C7,C10,,,,,129,bmse000006,1
25,covalent,SING,C7,O17,,,,,129,bmse000006,1
26,covalent,SING,C7,H38,,,,,129,bmse000006,1
27,covalent,SING,C10,N15,,,,,129,bmse000006,1
28,covalent,SING,C10,O26,,,,,129,bmse000006,1
29,covalent,SING,C10,H39,,,,,129,bmse000006,1
30,covalent,SING,N11,H40,,,,,129,bmse000006,1
31,covalent,SING,N11,H41,,,,,129,bmse000006,1
32,covalent,SING,O16,H42,,,,,129,bmse000006,1
33,covalent,SING,O17,H43,,,,,129,bmse000006,1
34,covalent,SING,O18,P29,,,,,129,bmse000006,1
35,covalent,SING,O18,H44,,,,,129,bmse000006,1
36,covalent,SING,O19,P29,,,,,129,bmse000006,1
37,covalent,SING,O19,H45,,,,,129,bmse000006,1
38,covalent,SING,O21,P30,,,,,129,bmse000006,1
39,covalent,SING,O21,H46,,,,,129,bmse000006,1
40,covalent,SING,O23,P31,,,,,129,bmse000006,1
41,covalent,SING,O23,H47,,,,,129,bmse000006,1
42,covalent,DOUB,O20,P29,,,,,129,bmse000006,1
43,covalent,DOUB,O22,P30,,,,,129,bmse000006,1
44,covalent,DOUB,O24,P31,,,,,129,bmse000006,1
45,covalent,SING,O25,P30,,,,,129,bmse000006,1
46,covalent,SING,O27,P29,,,,,129,bmse000006,1
47,covalent,SING,O27,P31,,,,,129,bmse000006,1
48,covalent,SING,O28,P30,,,,,129,bmse000006,1
49,covalent,SING,O28,P31,,,,,129,bmse000006,1
1,covalent,DOUB,O5,C3,,,,,155,bmse000007,1
2,covalent,SING,C3,O6,,,,,155,bmse000007,1
3,covalent,SING,C3,C2,,,,,155,bmse000007,1
4,covalent,SING,O6,H16,,,,,155,bmse000007,1
5,covalent,SING,C2,O4,,,,,155,bmse000007,1
6,covalent,SING,C2,C1,,,,,155,bmse000007,1
7,covalent,SING,C2,H14,,,,,155,bmse000007,1
8,covalent,SING,O4,H15,,,,,155,bmse000007,1
9,covalent,SING,C1,O10,,,,,155,bmse000007,1
10,covalent,SING,C1,H12,,,,,155,bmse000007,1
11,covalent,SING,C1,H13,,,,,155,bmse000007,1
12,covalent,SING,O10,P11,,,,,155,bmse000007,1
13,covalent,DOUB,P11,O7,,,,,155,bmse000007,1
14,covalent,SING,P11,O8,,,,,155,bmse000007,1
15,covalent,SING,P11,O9,,,,,155,bmse000007,1
16,covalent,SING,O8,H17,,,,,155,bmse000007,1
17,covalent,SING,O9,H18,,,,,155,bmse000007,1
1,covalent,SING,C2,C3,,,,,177,bmse000008,1
2,covalent,SING,C2,O12,,,,,177,bmse000008,1
3,covalent,SING,C2,C1,,,,,177,bmse000008,1
4,covalent,SING,C2,H15,,,,,177,bmse000008,1
5,covalent,SING,C3,C4,,,,,177,bmse000008,1
6,covalent,SING,C3,O8,,,,,177,bmse000008,1
7,covalent,SING,C3,H16,,,,,177,bmse000008,1
8,covalent,SING,O12,C6,,,,,177,bmse000008,1
9,covalent,SING,C1,O7,,,,,177,bmse000008,1
10,covalent,SING,C1,H13,,,,,177,bmse000008,1
11,covalent,SING,C1,H14,,,,,177,bmse000008,1
12,covalent,SING,C4,C5,,,,,177,bmse000008,1
13,covalent,SING,C4,O9,,,,,177,bmse000008,1
14,covalent,SING,C4,H17,,,,,177,bmse000008,1
15,covalent,SING,O8,H21,,,,,177,bmse000008,1
16,covalent,SING,C6,C5,,,,,177,bmse000008,1
17,covalent,SING,C6,O11,,,,,177,bmse000008,1
18,covalent,SING,C6,H19,,,,,177,bmse000008,1
19,covalent,SING,O7,H20,,,,,177,bmse000008,1
20,covalent,SING,C5,O10,,,,,177,bmse000008,1
21,covalent,SING,C5,H18,,,,,177,bmse000008,1
22,covalent,SING,O9,H22,,,,,177,bmse000008,1
23,covalent,SING,O11,H24,,,,,177,bmse000008,1
24,covalent,SING,O10,H23,,,,,177,bmse000008,1
1,covalent,SING,C6,C5,,,,,199,bmse000010,1
2,covalent,SING,C6,O12,,,,,199,bmse000010,1
3,covalent,SING,C6,C2,,,,,199,bmse000010,1
4,covalent,SING,C6,O11,,,,,199,bmse000010,1
5,covalent,SING,C5,C4,,,,,199,bmse000010,1
6,covalent,SING,C5,O10,,,,,199,bmse000010,1
7,covalent,SING,C5,H19,,,,,199,bmse000010,1
8,covalent,SING,O12,C3,,,,,199,bmse000010,1
9,covalent,SING,C2,O8,,,,,199,bmse000010,1
10,covalent,SING,C2,H15,,,,,199,bmse000010,1
11,covalent,SING,C2,H16,,,,,199,bmse000010,1
12,covalent,SING,O11,H24,,,,,199,bmse000010,1
13,covalent,SING,C4,C3,,,,,199,bmse000010,1
14,covalent,SING,C4,O9,,,,,199,bmse000010,1
15,covalent,SING,C4,H18,,,,,199,bmse000010,1
16,covalent,SING,O10,H23,,,,,199,bmse000010,1
17,covalent,SING,C3,C1,,,,,199,bmse000010,1
18,covalent,SING,C3,H17,,,,,199,bmse000010,1
19,covalent,SING,O8,H21,,,,,199,bmse000010,1
20,covalent,SING,O9,H22,,,,,199,bmse000010,1
21,covalent,SING,C1,O7,,,,,199,bmse000010,1
22,covalent,SING,C1,H13,,,,,199,bmse000010,1
23,covalent,SING,C1,H14,,,,,199,bmse000010,1
24,covalent,SING,O7,H20,,,,,199,bmse000010,1
1,covalent,DOUB,P20,O13,,,,,223,bmse000011,1
2,covalent,SING,P20,O14,,,,,223,bmse000011,1
3,covalent,SING,P20,O15,,,,,223,bmse000011,1
4,covalent,SING,P20,O17,,,,,223,bmse000011,1
5,covalent,SING,O14,H33,,,,,223,bmse000011,1
6,covalent,SING,O15,H34,,,,,223,bmse000011,1
7,covalent,SING,O17,C2,,,,,223,bmse000011,1
8,covalent,SING,C6,C2,,,,,223,bmse000011,1
9,covalent,SING,C2,H23,,,,,223,bmse000011,1
10,covalent,SING,C2,H24,,,,,223,bmse000011,1
11,covalent,SING,C6,O9,,,,,223,bmse000011,1
12,covalent,SING,C6,C5,,,,,223,bmse000011,1
13,covalent,SING,C6,O18,,,,,223,bmse000011,1
14,covalent,SING,O9,H30,,,,,223,bmse000011,1
15,covalent,SING,C5,O8,,,,,223,bmse000011,1
16,covalent,SING,C5,C4,,,,,223,bmse000011,1
17,covalent,SING,C5,H27,,,,,223,bmse000011,1
18,covalent,SING,O8,H29,,,,,223,bmse000011,1
19,covalent,SING,C4,O7,,,,,223,bmse000011,1
20,covalent,SING,C4,C3,,,,,223,bmse000011,1
21,covalent,SING,C4,H26,,,,,223,bmse000011,1
22,covalent,SING,O7,H28,,,,,223,bmse000011,1
23,covalent,SING,C3,O18,,,,,223,bmse000011,1
24,covalent,SING,C3,C1,,,,,223,bmse000011,1
25,covalent,SING,C3,H25,,,,,223,bmse000011,1
26,covalent,SING,C1,O16,,,,,223,bmse000011,1
27,covalent,SING,C1,H21,,,,,223,bmse000011,1
28,covalent,SING,C1,H22,,,,,223,bmse000011,1
29,covalent,SING,O16,P19,,,,,223,bmse000011,1
30,covalent,DOUB,P19,O10,,,,,223,bmse000011,1
31,covalent,SING,P19,O11,,,,,223,bmse000011,1
32,covalent,SING,P19,O12,,,,,223,bmse000011,1
33,covalent,SING,O11,H31,,,,,223,bmse000011,1
34,covalent,SING,O12,H32,,,,,223,bmse000011,1
1,covalent,SING,C3,O15,,,,,244,bmse000012,1
2,covalent,SING,C3,C4,,,,,244,bmse000012,1
3,covalent,SING,C3,C1,,,,,244,bmse000012,1
4,covalent,SING,C3,H21,,,,,244,bmse000012,1
5,covalent,SING,O15,C6,,,,,244,bmse000012,1
6,covalent,SING,C4,C5,,,,,244,bmse000012,1
7,covalent,SING,C4,O8,,,,,244,bmse000012,1
8,covalent,SING,C4,H22,,,,,244,bmse000012,1
9,covalent,SING,C1,O14,,,,,244,bmse000012,1
10,covalent,SING,C1,H17,,,,,244,bmse000012,1
11,covalent,SING,C1,H18,,,,,244,bmse000012,1
12,covalent,SING,C6,C5,,,,,244,bmse000012,1
13,covalent,SING,C6,C2,,,,,244,bmse000012,1
14,covalent,SING,C6,O10,,,,,244,bmse000012,1
15,covalent,SING,C5,O9,,,,,244,bmse000012,1
16,covalent,SING,C5,H23,,,,,244,bmse000012,1
17,covalent,SING,O8,H25,,,,,244,bmse000012,1
18,covalent,SING,O14,P16,,,,,244,bmse000012,1
19,covalent,SING,C2,O7,,,,,244,bmse000012,1
20,covalent,SING,C2,H19,,,,,244,bmse000012,1
21,covalent,SING,C2,H20,,,,,244,bmse000012,1
22,covalent,SING,O10,H27,,,,,244,bmse000012,1
23,covalent,SING,O9,H26,,,,,244,bmse000012,1
24,covalent,SING,P16,O11,,,,,244,bmse000012,1
25,covalent,SING,P16,O12,,,,,244,bmse000012,1
26,covalent,DOUB,P16,O13,,,,,244,bmse000012,1
27,covalent,SING,O7,H24,,,,,244,bmse000012,1
28,covalent,SING,O11,H28,,,,,244,bmse000012,1
29,covalent,SING,O12,H29,,,,,244,bmse000012,1
1,covalent,SING,C6,C5,,,,,271,bmse000013,1
2,covalent,SING,C6,O11,,,,,271,bmse000013,1
3,covalent,SING,C6,O12,,,,,271,bmse000013,1
4,covalent,SING,C6,H19,,,,,271,bmse000013,1
5,covalent,SING,C5,C4,,,,,271,bmse000013,1
6,covalent,SING,C5,O10,,,,,271,bmse000013,1
7,covalent,SING,C5,H18,,,,,271,bmse000013,1
8,covalent,SING,C4,C3,,,,,271,bmse000013,1
9,covalent,SING,C4,O9,,,,,271,bmse000013,1
10,covalent,SING,C4,H17,,,,,271,bmse000013,1
11,covalent,SING,C3,C2,,,,,271,bmse000013,1
12,covalent,SING,C3,O8,,,,,271,bmse000013,1
13,covalent,SING,C3,H16,,,,,271,bmse000013,1
14,covalent,SING,C2,C1,,,,,271,bmse000013,1
15,covalent,SING,C2,O12,,,,,271,bmse000013,1
16,covalent,SING,C2,H15,,,,,271,bmse000013,1
17,covalent,SING,C1,O7,,,,,271,bmse000013,1
18,covalent,SING,C1,H13,,,,,271,bmse000013,1
19,covalent,SING,C1,H14,,,,,271,bmse000013,1
20,covalent,SING,O11,H24,,,,,271,bmse000013,1
21,covalent,SING,O10,H23,,,,,271,bmse000013,1
22,covalent,SING,O9,H22,,,,,271,bmse000013,1
23,covalent,SING,O8,H21,,,,,271,bmse000013,1
24,covalent,SING,O7,H20,,,,,271,bmse000013,1
1,covalent,SING,C6,C5,,,,,294,bmse000015,1
2,covalent,SING,C6,O11,,,,,294,bmse000015,1
3,covalent,SING,C6,O12,,,,,294,bmse000015,1
4,covalent,SING,C6,H19,,,,,294,bmse000015,1
5,covalent,SING,C5,C4,,,,,294,bmse000015,1
6,covalent,SING,C5,O10,,,,,294,bmse000015,1
7,covalent,SING,C5,H18,,,,,294,bmse000015,1
8,covalent,SING,C4,C3,,,,,294,bmse000015,1
9,covalent,SING,C4,O9,,,,,294,bmse000015,1
10,covalent,SING,C4,H17,,,,,294,bmse000015,1
11,covalent,SING,C3,C2,,,,,294,bmse000015,1
12,covalent,SING,C3,O8,,,,,294,bmse000015,1
13,covalent,SING,C3,H16,,,,,294,bmse000015,1
14,covalent,SING,C2,C1,,,,,294,bmse000015,1
15,covalent,SING,C2,O12,,,,,294,bmse000015,1
16,covalent,SING,C2,H15,,,,,294,bmse000015,1
17,covalent,SING,C1,O7,,,,,294,bmse000015,1
18,covalent,SING,C1,H13,,,,,294,bmse000015,1
19,covalent,SING,C1,H14,,,,,294,bmse000015,1
20,covalent,SING,O11,H24,,,,,294,bmse000015,1
21,covalent,SING,O10,H23,,,,,294,bmse000015,1
22,covalent,SING,O9,H22,,,,,294,bmse000015,1
23,covalent,SING,O8,H21,,,,,294,bmse000015,1
24,covalent,SING,O7,H20,,,,,294,bmse000015,1
1,covalent,SING,C6,C5,,,,,319,bmse000016,1
2,covalent,SING,C6,O10,,,,,319,bmse000016,1
3,covalent,SING,C6,O15,,,,,319,bmse000016,1
4,covalent,SING,C6,H23,,,,,319,bmse000016,1
5,covalent,SING,C5,C4,,,,,319,bmse000016,1
6,covalent,SING,C5,O9,,,,,319,bmse000016,1
7,covalent,SING,C5,H22,,,,,319,bmse000016,1
8,covalent,SING,O10,H27,,,,,319,bmse000016,1
9,covalent,SING,O15,C2,,,,,319,bmse000016,1
10,covalent,SING,C4,C3,,,,,319,bmse000016,1
11,covalent,SING,C4,O8,,,,,319,bmse000016,1
12,covalent,SING,C4,H21,,,,,319,bmse000016,1
13,covalent,SING,O9,H26,,,,,319,bmse000016,1
14,covalent,SING,C3,C2,,,,,319,bmse000016,1
15,covalent,SING,C3,O7,,,,,319,bmse000016,1
16,covalent,SING,C3,H20,,,,,319,bmse000016,1
17,covalent,SING,O8,H25,,,,,319,bmse000016,1
18,covalent,SING,C2,C1,,,,,319,bmse000016,1
19,covalent,SING,C2,H19,,,,,319,bmse000016,1
20,covalent,SING,O7,H24,,,,,319,bmse000016,1
21,covalent,SING,C1,O14,,,,,319,bmse000016,1
22,covalent,SING,C1,H17,,,,,319,bmse000016,1
23,covalent,SING,C1,H18,,,,,319,bmse000016,1
24,covalent,SING,O14,P16,,,,,319,bmse000016,1
25,covalent,DOUB,P16,O11,,,,,319,bmse000016,1
26,covalent,SING,P16,O12,,,,,319,bmse000016,1
27,covalent,SING,P16,O13,,,,,319,bmse000016,1
28,covalent,SING,O12,H28,,,,,319,bmse000016,1
29,covalent,SING,O13,H29,,,,,319,bmse000016,1
1,covalent,SING,C10,C4,,,,,341,bmse000017,1
2,covalent,SING,C10,O23,,,,,341,bmse000017,1
3,covalent,SING,C10,C7,,,,,341,bmse000017,1
4,covalent,SING,C10,H35,,,,,341,bmse000017,1
5,covalent,SING,C4,O21,,,,,341,bmse000017,1
6,covalent,SING,C4,C2,,,,,341,bmse000017,1
7,covalent,SING,C4,H29,,,,,341,bmse000017,1
8,covalent,SING,O23,C12,,,,,341,bmse000017,1
9,covalent,SING,C7,C8,,,,,341,bmse000017,1
10,covalent,SING,C7,O17,,,,,341,bmse000017,1
11,covalent,SING,C7,H32,,,,,341,bmse000017,1
12,covalent,SING,O21,C11,,,,,341,bmse000017,1
13,covalent,SING,C2,O14,,,,,341,bmse000017,1
14,covalent,SING,C2,H26,,,,,341,bmse000017,1
15,covalent,SING,C2,H27,,,,,341,bmse000017,1
16,covalent,SING,C12,O22,,,,,341,bmse000017,1
17,covalent,SING,C12,C9,,,,,341,bmse000017,1
18,covalent,SING,C12,H37,,,,,341,bmse000017,1
19,covalent,SING,C8,C11,,,,,341,bmse000017,1
20,covalent,SING,C8,O18,,,,,341,bmse000017,1
21,covalent,SING,C8,H33,,,,,341,bmse000017,1
22,covalent,SING,O17,H42,,,,,341,bmse000017,1
23,covalent,SING,C11,O20,,,,,341,bmse000017,1
24,covalent,SING,C11,H36,,,,,341,bmse000017,1
25,covalent,SING,O14,H39,,,,,341,bmse000017,1
26,covalent,SING,O22,C3,,,,,341,bmse000017,1
27,covalent,SING,C9,C6,,,,,341,bmse000017,1
28,covalent,SING,C9,O19,,,,,341,bmse000017,1
29,covalent,SING,C9,H34,,,,,341,bmse000017,1
30,covalent,SING,O18,H43,,,,,341,bmse000017,1
31,covalent,SING,O20,H45,,,,,341,bmse000017,1
32,covalent,SING,C3,C5,,,,,341,bmse000017,1
33,covalent,SING,C3,C1,,,,,341,bmse000017,1
34,covalent,SING,C3,H28,,,,,341,bmse000017,1
35,covalent,SING,C6,C5,,,,,341,bmse000017,1
36,covalent,SING,C6,O16,,,,,341,bmse000017,1
37,covalent,SING,C6,H31,,,,,341,bmse000017,1
38,covalent,SING,O19,H44,,,,,341,bmse000017,1
39,covalent,SING,C5,O15,,,,,341,bmse000017,1
40,covalent,SING,C5,H30,,,,,341,bmse000017,1
41,covalent,SING,C1,O13,,,,,341,bmse000017,1
42,covalent,SING,C1,H24,,,,,341,bmse000017,1
43,covalent,SING,C1,H25,,,,,341,bmse000017,1
44,covalent,SING,O16,H41,,,,,341,bmse000017,1
45,covalent,SING,O15,H40,,,,,341,bmse000017,1
46,covalent,SING,O13,H38,,,,,341,bmse000017,1
1,covalent,SING,O11,C6,,,,,365,bmse000018,1
2,covalent,SING,O11,H24,,,,,365,bmse000018,1
3,covalent,SING,C6,C5,,,,,365,bmse000018,1
4,covalent,SING,C6,O12,,,,,365,bmse000018,1
5,covalent,SING,C6,H19,,,,,365,bmse000018,1
6,covalent,SING,C5,C4,,,,,365,bmse000018,1
7,covalent,SING,C5,O10,,,,,365,bmse000018,1
8,covalent,SING,C5,H18,,,,,365,bmse000018,1
9,covalent,SING,C4,C3,,,,,365,bmse000018,1
10,covalent,SING,C4,O9,,,,,365,bmse000018,1
11,covalent,SING,C4,H17,,,,,365,bmse000018,1
12,covalent,SING,C3,C2,,,,,365,bmse000018,1
13,covalent,SING,C3,O8,,,,,365,bmse000018,1
14,covalent,SING,C3,H16,,,,,365,bmse000018,1
15,covalent,SING,C2,C1,,,,,365,bmse000018,1
16,covalent,SING,C2,O12,,,,,365,bmse000018,1
17,covalent,SING,C2,H15,,,,,365,bmse000018,1
18,covalent,SING,C1,O7,,,,,365,bmse000018,1
19,covalent,SING,C1,H13,,,,,365,bmse000018,1
20,covalent,SING,C1,H14,,,,,365,bmse000018,1
21,covalent,SING,O10,H23,,,,,365,bmse000018,1
22,covalent,SING,O9,H22,,,,,365,bmse000018,1
23,covalent,SING,O8,H21,,,,,365,bmse000018,1
24,covalent,SING,O7,H20,,,,,365,bmse000018,1
1,covalent,SING,C5,C4,,,,,388,bmse000019,1
2,covalent,DOUB,C5,O8,,,,,388,bmse000019,1
3,covalent,SING,C5,O9,,,,,388,bmse000019,1
4,covalent,SING,C4,C2,,,,,388,bmse000019,1
5,covalent,SING,C4,N7,,,,,388,bmse000019,1
6,covalent,SING,C4,H16,,,,,388,bmse000019,1
7,covalent,SING,C2,C1,,,,,388,bmse000019,1
8,covalent,SING,C2,H12,,,,,388,bmse000019,1
9,covalent,SING,C2,H13,,,,,388,bmse000019,1
10,covalent,SING,C1,C3,,,,,388,bmse000019,1
11,covalent,SING,C1,H10,,,,,388,bmse000019,1
12,covalent,SING,C1,H11,,,,,388,bmse000019,1
13,covalent,SING,C3,N6,,,,,388,bmse000019,1
14,covalent,SING,C3,H14,,,,,388,bmse000019,1
15,covalent,SING,C3,H15,,,,,388,bmse000019,1
16,covalent,SING,O9,H21,,,,,388,bmse000019,1
17,covalent,SING,N7,H19,,,,,388,bmse000019,1
18,covalent,SING,N7,H20,,,,,388,bmse000019,1
19,covalent,SING,N6,H17,,,,,388,bmse000019,1
20,covalent,SING,N6,H18,,,,,388,bmse000019,1
1,covalent,SING,C6,C5,,,,,412,bmse000020,1
2,covalent,SING,C6,O12,,,,,412,bmse000020,1
3,covalent,SING,C6,C2,,,,,412,bmse000020,1
4,covalent,SING,C6,O11,,,,,412,bmse000020,1
5,covalent,SING,C5,C4,,,,,412,bmse000020,1
6,covalent,SING,C5,O10,,,,,412,bmse000020,1
7,covalent,SING,C5,H19,,,,,412,bmse000020,1
8,covalent,SING,O12,C1,,,,,412,bmse000020,1
9,covalent,SING,C2,O7,,,,,412,bmse000020,1
10,covalent,SING,C2,H15,,,,,412,bmse000020,1
11,covalent,SING,C2,H16,,,,,412,bmse000020,1
12,covalent,SING,O11,H24,,,,,412,bmse000020,1
13,covalent,SING,C4,C3,,,,,412,bmse000020,1
14,covalent,SING,C4,O9,,,,,412,bmse000020,1
15,covalent,SING,C4,H18,,,,,412,bmse000020,1
16,covalent,SING,O10,H23,,,,,412,bmse000020,1
17,covalent,SING,C1,C3,,,,,412,bmse000020,1
18,covalent,SING,C1,H13,,,,,412,bmse000020,1
19,covalent,SING,C1,H14,,,,,412,bmse000020,1
20,covalent,SING,O7,H20,,,,,412,bmse000020,1
21,covalent,SING,C3,O8,,,,,412,bmse000020,1
22,covalent,SING,C3,H17,,,,,412,bmse000020,1
23,covalent,SING,O9,H22,,,,,412,bmse000020,1
24,covalent,SING,O8,H21,,,,,412,bmse000020,1
1,covalent,SING,C6,C5,,,,,434,bmse000022,1
2,covalent,SING,C6,O12,,,,,434,bmse000022,1
3,covalent,SING,C6,C2,,,,,434,bmse000022,1
4,covalent,SING,C6,O11,,,,,434,bmse000022,1
5,covalent,SING,C5,C4,,,,,434,bmse000022,1
6,covalent,SING,C5,O10,,,,,434,bmse000022,1
7,covalent,SING,C5,H19,,,,,434,bmse000022,1
8,covalent,SING,O12,C1,,,,,434,bmse000022,1
9,covalent,SING,C2,O7,,,,,434,bmse000022,1
10,covalent,SING,C2,H15,,,,,434,bmse000022,1
11,covalent,SING,C2,H16,,,,,434,bmse000022,1
12,covalent,SING,O11,H24,,,,,434,bmse000022,1
13,covalent,SING,C4,C3,,,,,434,bmse000022,1
14,covalent,SING,C4,O9,,,,,434,bmse000022,1
15,covalent,SING,C4,H18,,,,,434,bmse000022,1
16,covalent,SING,O10,H23,,,,,434,bmse000022,1
17,covalent,SING,C1,C3,,,,,434,bmse000022,1
18,covalent,SING,C1,H13,,,,,434,bmse000022,1
19,covalent,SING,C1,H14,,,,,434,bmse000022,1
20,covalent,SING,O7,H20,,,,,434,bmse000022,1
21,covalent,SING,C3,O8,,,,,434,bmse000022,1
22,covalent,SING,C3,H17,,,,,434,bmse000022,1
23,covalent,SING,O9,H22,,,,,434,bmse000022,1
24,covalent,SING,O8,H21,,,,,434,bmse000022,1
1,covalent,SING,C6,C5,,,,,457,bmse000023,1
2,covalent,SING,C6,O12,,,,,457,bmse000023,1
3,covalent,SING,C6,C2,,,,,457,bmse000023,1
4,covalent,SING,C6,O11,,,,,457,bmse000023,1
5,covalent,SING,C5,C4,,,,,457,bmse000023,1
6,covalent,SING,C5,O10,,,,,457,bmse000023,1
7,covalent,SING,C5,H19,,,,,457,bmse000023,1
8,covalent,SING,O12,C1,,,,,457,bmse000023,1
9,covalent,SING,C2,O7,,,,,457,bmse000023,1
10,covalent,SING,C2,H15,,,,,457,bmse000023,1
11,covalent,SING,C2,H16,,,,,457,bmse000023,1
12,covalent,SING,O11,H24,,,,,457,bmse000023,1
13,covalent,SING,C4,C3,,,,,457,bmse000023,1
14,covalent,SING,C4,O9,,,,,457,bmse000023,1
15,covalent,SING,C4,H18,,,,,457,bmse000023,1
16,covalent,SING,O10,H23,,,,,457,bmse000023,1
17,covalent,SING,C1,C3,,,,,457,bmse000023,1
18,covalent,SING,C1,H13,,,,,457,bmse000023,1
19,covalent,SING,C1,H14,,,,,457,bmse000023,1
20,covalent,SING,O7,H20,,,,,457,bmse000023,1
21,covalent,SING,C3,O8,,,,,457,bmse000023,1
22,covalent,SING,C3,H17,,,,,457,bmse000023,1
23,covalent,SING,O9,H22,,,,,457,bmse000023,1
24,covalent,SING,O8,H21,,,,,457,bmse000023,1
1,covalent,SING,C6,O12,,,,,481,bmse000025,1
2,covalent,DOUB,C6,O13,,,,,481,bmse000025,1
3,covalent,SING,C6,C4,,,,,481,bmse000025,1
4,covalent,SING,O12,H21,,,,,481,bmse000025,1
5,covalent,SING,C4,O9,,,,,481,bmse000025,1
6,covalent,SING,C4,C2,,,,,481,bmse000025,1
7,covalent,SING,C4,H17,,,,,481,bmse000025,1
8,covalent,SING,O9,H19,,,,,481,bmse000025,1
9,covalent,SING,C2,C1,,,,,481,bmse000025,1
10,covalent,SING,C2,C5,,,,,481,bmse000025,1
11,covalent,SING,C2,H16,,,,,481,bmse000025,1
12,covalent,SING,C1,C3,,,,,481,bmse000025,1
13,covalent,SING,C1,H14,,,,,481,bmse000025,1
14,covalent,SING,C1,H15,,,,,481,bmse000025,1
15,covalent,DOUB,C3,O7,,,,,481,bmse000025,1
16,covalent,SING,C3,O8,,,,,481,bmse000025,1
17,covalent,SING,O8,H18,,,,,481,bmse000025,1
18,covalent,SING,C5,O10,,,,,481,bmse000025,1
19,covalent,DOUB,C5,O11,,,,,481,bmse000025,1
20,covalent,SING,O10,H20,,,,,481,bmse000025,1
1,covalent,SING,C5,C4,,,,,503,bmse000026,1
2,covalent,SING,C5,O9,,,,,503,bmse000026,1
3,covalent,SING,C5,O10,,,,,503,bmse000026,1
4,covalent,SING,C5,H16,,,,,503,bmse000026,1
5,covalent,SING,C4,C3,,,,,503,bmse000026,1
6,covalent,SING,C4,O8,,,,,503,bmse000026,1
7,covalent,SING,C4,H15,,,,,503,bmse000026,1
8,covalent,SING,C3,C2,,,,,503,bmse000026,1
9,covalent,SING,C3,O7,,,,,503,bmse000026,1
10,covalent,SING,C3,H14,,,,,503,bmse000026,1
11,covalent,SING,C2,C1,,,,,503,bmse000026,1
12,covalent,SING,C2,O6,,,,,503,bmse000026,1
13,covalent,SING,C2,H13,,,,,503,bmse000026,1
14,covalent,SING,C1,O10,,,,,503,bmse000026,1
15,covalent,SING,C1,H11,,,,,503,bmse000026,1
16,covalent,SING,C1,H12,,,,,503,bmse000026,1
17,covalent,SING,O9,H20,,,,,503,bmse000026,1
18,covalent,SING,O8,H19,,,,,503,bmse000026,1
19,covalent,SING,O7,H18,,,,,503,bmse000026,1
20,covalent,SING,O6,H17,,,,,503,bmse000026,1
1,covalent,SING,C5,C4,,,,,527,bmse000027,1
2,covalent,SING,C5,O10,,,,,527,bmse000027,1
3,covalent,SING,C5,C2,,,,,527,bmse000027,1
4,covalent,SING,C5,O9,,,,,527,bmse000027,1
5,covalent,SING,C4,C3,,,,,527,bmse000027,1
6,covalent,SING,C4,O8,,,,,527,bmse000027,1
7,covalent,SING,C4,H16,,,,,527,bmse000027,1
8,covalent,SING,O10,C1,,,,,527,bmse000027,1
9,covalent,SING,C2,O6,,,,,527,bmse000027,1
10,covalent,SING,C2,H13,,,,,527,bmse000027,1
11,covalent,SING,C2,H14,,,,,527,bmse000027,1
12,covalent,SING,O9,H20,,,,,527,bmse000027,1
13,covalent,SING,C3,C1,,,,,527,bmse000027,1
14,covalent,SING,C3,O7,,,,,527,bmse000027,1
15,covalent,SING,C3,H15,,,,,527,bmse000027,1
16,covalent,SING,O8,H19,,,,,527,bmse000027,1
17,covalent,SING,C1,H11,,,,,527,bmse000027,1
18,covalent,SING,C1,H12,,,,,527,bmse000027,1
19,covalent,SING,O6,H17,,,,,527,bmse000027,1
20,covalent,SING,O7,H18,,,,,527,bmse000027,1
1,covalent,SING,C2,N4,,,,,548,bmse000028,1
2,covalent,SING,N4,H11,,,,,548,bmse000028,1
3,covalent,SING,N4,H12,,,,,548,bmse000028,1
4,covalent,SING,C2,C3,,,,,548,bmse000028,1
5,covalent,SING,C2,C1,,,,,548,bmse000028,1
6,covalent,SING,C2,H10,,,,,548,bmse000028,1
7,covalent,DOUB,C3,O5,,,,,548,bmse000028,1
8,covalent,SING,C3,O6,,,,,548,bmse000028,1
9,covalent,SING,C1,H9,,,,,548,bmse000028,1
10,covalent,SING,C1,H8,,,,,548,bmse000028,1
11,covalent,SING,C1,H7,,,,,548,bmse000028,1
12,covalent,SING,O6,H13,,,,,548,bmse000028,1
1,covalent,SING,C4,N7,,,,,571,bmse000029,1
2,covalent,SING,N7,H20,,,,,571,bmse000029,1
3,covalent,SING,N7,H21,,,,,571,bmse000029,1
4,covalent,SING,C4,C5,,,,,571,bmse000029,1
5,covalent,SING,C4,C2,,,,,571,bmse000029,1
6,covalent,SING,C4,H19,,,,,571,bmse000029,1
7,covalent,DOUB,C5,O11,,,,,571,bmse000029,1
8,covalent,SING,C5,O12,,,,,571,bmse000029,1
9,covalent,SING,C2,C1,,,,,571,bmse000029,1
10,covalent,SING,C2,H15,,,,,571,bmse000029,1
11,covalent,SING,C2,H16,,,,,571,bmse000029,1
12,covalent,SING,C1,C3,,,,,571,bmse000029,1
13,covalent,SING,C1,H13,,,,,571,bmse000029,1
14,covalent,SING,C1,H14,,,,,571,bmse000029,1
15,covalent,SING,C3,N10,,,,,571,bmse000029,1
16,covalent,SING,C3,H17,,,,,571,bmse000029,1
17,covalent,SING,C3,H18,,,,,571,bmse000029,1
18,covalent,DOUB,N10,C6,,,,,571,bmse000029,1
19,covalent,SING,C6,N8,,,,,571,bmse000029,1
20,covalent,SING,C6,N9,,,,,571,bmse000029,1
21,covalent,SING,N8,H22,,,,,571,bmse000029,1
22,covalent,SING,N8,H23,,,,,571,bmse000029,1
23,covalent,SING,N9,H24,,,,,571,bmse000029,1
24,covalent,SING,N9,H25,,,,,571,bmse000029,1
25,covalent,SING,O12,H26,,,,,571,bmse000029,1
1,covalent,SING,C2,N5,,,,,596,bmse000030,1
2,covalent,SING,N5,H13,,,,,596,bmse000030,1
3,covalent,SING,N5,H14,,,,,596,bmse000030,1
4,covalent,SING,C2,C4,,,,,596,bmse000030,1
5,covalent,SING,C2,C1,,,,,596,bmse000030,1
6,covalent,SING,C2,H12,,,,,596,bmse000030,1
7,covalent,DOUB,C4,O8,,,,,596,bmse000030,1
8,covalent,SING,C4,O9,,,,,596,bmse000030,1
9,covalent,SING,C1,C3,,,,,596,bmse000030,1
10,covalent,SING,C1,H10,,,,,596,bmse000030,1
11,covalent,SING,C1,H11,,,,,596,bmse000030,1
12,covalent,DOUB,C3,O7,,,,,596,bmse000030,1
13,covalent,SING,C3,N6,,,,,596,bmse000030,1
14,covalent,SING,N6,H15,,,,,596,bmse000030,1
15,covalent,SING,N6,H16,,,,,596,bmse000030,1
16,covalent,SING,O9,H17,,,,,596,bmse000030,1
1,covalent,SING,C2,N5,,,,,621,bmse000031,1
2,covalent,SING,N5,H13,,,,,621,bmse000031,1
3,covalent,SING,N5,H14,,,,,621,bmse000031,1
4,covalent,SING,C2,C4,,,,,621,bmse000031,1
5,covalent,SING,C2,C1,,,,,621,bmse000031,1
6,covalent,SING,C2,H12,,,,,621,bmse000031,1
7,covalent,DOUB,C4,O8,,,,,621,bmse000031,1
8,covalent,SING,C4,O9,,,,,621,bmse000031,1
9,covalent,SING,C1,C3,,,,,621,bmse000031,1
10,covalent,SING,C1,H10,,,,,621,bmse000031,1
11,covalent,SING,C1,H11,,,,,621,bmse000031,1
12,covalent,DOUB,C3,O6,,,,,621,bmse000031,1
13,covalent,SING,C3,O7,,,,,621,bmse000031,1
14,covalent,SING,O7,H15,,,,,621,bmse000031,1
15,covalent,SING,O9,H16,,,,,621,bmse000031,1
1,covalent,DOUB,C5,O10,,,,,644,bmse000032,1
2,covalent,SING,C5,O11,,,,,644,bmse000032,1
3,covalent,SING,C5,C4,,,,,644,bmse000032,1
4,covalent,SING,O11,H25,,,,,644,bmse000032,1
5,covalent,SING,C4,N7,,,,,644,bmse000032,1
6,covalent,SING,C4,C2,,,,,644,bmse000032,1
7,covalent,SING,C4,H19,,,,,644,bmse000032,1
8,covalent,SING,N7,H20,,,,,644,bmse000032,1
9,covalent,SING,N7,H21,,,,,644,bmse000032,1
10,covalent,SING,C2,C1,,,,,644,bmse000032,1
11,covalent,SING,C2,H15,,,,,644,bmse000032,1
12,covalent,SING,C2,H16,,,,,644,bmse000032,1
13,covalent,SING,C1,C3,,,,,644,bmse000032,1
14,covalent,SING,C1,H13,,,,,644,bmse000032,1
15,covalent,SING,C1,H14,,,,,644,bmse000032,1
16,covalent,SING,C3,N9,,,,,644,bmse000032,1
17,covalent,SING,C3,H17,,,,,644,bmse000032,1
18,covalent,SING,C3,H18,,,,,644,bmse000032,1
19,covalent,SING,N9,C6,,,,,644,bmse000032,1
20,covalent,SING,N9,H24,,,,,644,bmse000032,1
21,covalent,DOUB,C6,O12,,,,,644,bmse000032,1
22,covalent,SING,C6,N8,,,,,644,bmse000032,1
23,covalent,SING,N8,H22,,,,,644,bmse000032,1
24,covalent,SING,N8,H23,,,,,644,bmse000032,1
1,covalent,SING,C4,C1,,,,,669,bmse000033,1
2,covalent,SING,C4,C6,,,,,669,bmse000033,1
3,covalent,SING,C4,N8,,,,,669,bmse000033,1
4,covalent,SING,C4,H21,,,,,669,bmse000033,1
5,covalent,SING,C1,C2,,,,,669,bmse000033,1
6,covalent,SING,C1,H15,,,,,669,bmse000033,1
7,covalent,SING,C1,H16,,,,,669,bmse000033,1
8,covalent,SING,C6,O10,,,,,669,bmse000033,1
9,covalent,DOUB,C6,O11,,,,,669,bmse000033,1
10,covalent,SING,N8,H23,,,,,669,bmse000033,1
11,covalent,SING,N8,H24,,,,,669,bmse000033,1
12,covalent,SING,C2,S14,,,,,669,bmse000033,1
13,covalent,SING,C2,H17,,,,,669,bmse000033,1
14,covalent,SING,C2,H18,,,,,669,bmse000033,1
15,covalent,SING,O10,H27,,,,,669,bmse000033,1
16,covalent,SING,S14,C3,,,,,669,bmse000033,1
17,covalent,SING,C3,C5,,,,,669,bmse000033,1
18,covalent,SING,C3,H19,,,,,669,bmse000033,1
19,covalent,SING,C3,H20,,,,,669,bmse000033,1
20,covalent,SING,C5,C7,,,,,669,bmse000033,1
21,covalent,SING,C5,N9,,,,,669,bmse000033,1
22,covalent,SING,C5,H22,,,,,669,bmse000033,1
23,covalent,SING,C7,O12,,,,,669,bmse000033,1
24,covalent,DOUB,C7,O13,,,,,669,bmse000033,1
25,covalent,SING,N9,H25,,,,,669,bmse000033,1
26,covalent,SING,N9,H26,,,,,669,bmse000033,1
27,covalent,SING,O12,H28,,,,,669,bmse000033,1
1,covalent,SING,C2,N4,,,,,691,bmse000034,1
2,covalent,SING,N4,H11,,,,,691,bmse000034,1
3,covalent,SING,N4,H12,,,,,691,bmse000034,1
4,covalent,SING,C2,C3,,,,,691,bmse000034,1
5,covalent,SING,C2,C1,,,,,691,bmse000034,1
6,covalent,SING,C2,H10,,,,,691,bmse000034,1
7,covalent,DOUB,C3,O5,,,,,691,bmse000034,1
8,covalent,SING,C3,O6,,,,,691,bmse000034,1
9,covalent,SING,C1,S7,,,,,691,bmse000034,1
10,covalent,SING,C1,H8,,,,,691,bmse000034,1
11,covalent,SING,C1,H9,,,,,691,bmse000034,1
12,covalent,SING,S7,H14,,,,,691,bmse000034,1
13,covalent,SING,O6,H13,,,,,691,bmse000034,1
1,covalent,SING,C3,C1,,,,,715,bmse000035,1
2,covalent,SING,C3,C5,,,,,715,bmse000035,1
3,covalent,SING,C3,N7,,,,,715,bmse000035,1
4,covalent,SING,C3,H19,,,,,715,bmse000035,1
5,covalent,SING,C1,S13,,,,,715,bmse000035,1
6,covalent,SING,C1,H15,,,,,715,bmse000035,1
7,covalent,SING,C1,H16,,,,,715,bmse000035,1
8,covalent,SING,C5,O9,,,,,715,bmse000035,1
9,covalent,DOUB,C5,O10,,,,,715,bmse000035,1
10,covalent,SING,N7,H21,,,,,715,bmse000035,1
11,covalent,SING,N7,H22,,,,,715,bmse000035,1
12,covalent,SING,S13,S14,,,,,715,bmse000035,1
13,covalent,SING,O9,H25,,,,,715,bmse000035,1
14,covalent,SING,S14,C2,,,,,715,bmse000035,1
15,covalent,SING,C2,C4,,,,,715,bmse000035,1
16,covalent,SING,C2,H17,,,,,715,bmse000035,1
17,covalent,SING,C2,H18,,,,,715,bmse000035,1
18,covalent,SING,C4,C6,,,,,715,bmse000035,1
19,covalent,SING,C4,N8,,,,,715,bmse000035,1
20,covalent,SING,C4,H20,,,,,715,bmse000035,1
21,covalent,SING,C6,O11,,,,,715,bmse000035,1
22,covalent,DOUB,C6,O12,,,,,715,bmse000035,1
23,covalent,SING,N8,H23,,,,,715,bmse000035,1
24,covalent,SING,N8,H24,,,,,715,bmse000035,1
25,covalent,SING,O11,H26,,,,,715,bmse000035,1
1,covalent,SING,O10,C6,,,,,742,bmse000036,1
2,covalent,SING,O10,H23,,,,,742,bmse000036,1
3,covalent,SING,C6,C5,,,,,742,bmse000036,1
4,covalent,SING,C6,O11,,,,,742,bmse000036,1
5,covalent,SING,C6,H19,,,,,742,bmse000036,1
6,covalent,SING,C5,C4,,,,,742,bmse000036,1
7,covalent,SING,C5,O9,,,,,742,bmse000036,1
8,covalent,SING,C5,H18,,,,,742,bmse000036,1
9,covalent,SING,C4,C3,,,,,742,bmse000036,1
10,covalent,SING,C4,O8,,,,,742,bmse000036,1
11,covalent,SING,C4,H17,,,,,742,bmse000036,1
12,covalent,SING,C3,C2,,,,,742,bmse000036,1
13,covalent,SING,C3,O7,,,,,742,bmse000036,1
14,covalent,SING,C3,H16,,,,,742,bmse000036,1
15,covalent,SING,C2,C1,,,,,742,bmse000036,1
16,covalent,SING,C2,O11,,,,,742,bmse000036,1
17,covalent,SING,C2,H15,,,,,742,bmse000036,1
18,covalent,SING,C1,H12,,,,,742,bmse000036,1
19,covalent,SING,C1,H14,,,,,742,bmse000036,1
20,covalent,SING,C1,H13,,,,,742,bmse000036,1
21,covalent,SING,O9,H22,,,,,742,bmse000036,1
22,covalent,SING,O8,H21,,,,,742,bmse000036,1
23,covalent,SING,O7,H20,,,,,742,bmse000036,1
1,covalent,DOUB,C5,O9,,,,,764,bmse000037,1
2,covalent,SING,C5,C3,,,,,764,bmse000037,1
3,covalent,SING,C5,O10,,,,,764,bmse000037,1
4,covalent,DOUB,C4,O7,,,,,764,bmse000037,1
5,covalent,SING,C4,C2,,,,,764,bmse000037,1
6,covalent,SING,C4,O8,,,,,764,bmse000037,1
7,covalent,SING,C3,C1,,,,,764,bmse000037,1
8,covalent,SING,C3,N6,,,,,764,bmse000037,1
9,covalent,SING,C3,H15,,,,,764,bmse000037,1
10,covalent,SING,C1,C2,,,,,764,bmse000037,1
11,covalent,SING,C1,H11,,,,,764,bmse000037,1
12,covalent,SING,C1,H12,,,,,764,bmse000037,1
13,covalent,SING,C2,H13,,,,,764,bmse000037,1
14,covalent,SING,C2,H14,,,,,764,bmse000037,1
15,covalent,SING,O10,H19,,,,,764,bmse000037,1
16,covalent,SING,N6,H16,,,,,764,bmse000037,1
17,covalent,SING,N6,H17,,,,,764,bmse000037,1
18,covalent,SING,O8,H18,,,,,764,bmse000037,1
1,covalent,SING,C3,N6,,,,,789,bmse000038,1
2,covalent,SING,N6,H16,,,,,789,bmse000038,1
3,covalent,SING,N6,H17,,,,,789,bmse000038,1
4,covalent,SING,C3,C5,,,,,789,bmse000038,1
5,covalent,SING,C3,C1,,,,,789,bmse000038,1
6,covalent,SING,C3,H15,,,,,789,bmse000038,1
7,covalent,DOUB,C5,O9,,,,,789,bmse000038,1
8,covalent,SING,C5,O10,,,,,789,bmse000038,1
9,covalent,SING,C1,C2,,,,,789,bmse000038,1
10,covalent,SING,C1,H11,,,,,789,bmse000038,1
11,covalent,SING,C1,H12,,,,,789,bmse000038,1
12,covalent,SING,C2,C4,,,,,789,bmse000038,1
13,covalent,SING,C2,H13,,,,,789,bmse000038,1
14,covalent,SING,C2,H14,,,,,789,bmse000038,1
15,covalent,DOUB,C4,O8,,,,,789,bmse000038,1
16,covalent,SING,C4,N7,,,,,789,bmse000038,1
17,covalent,SING,N7,H18,,,,,789,bmse000038,1
18,covalent,SING,N7,H19,,,,,789,bmse000038,1
19,covalent,SING,O10,H20,,,,,789,bmse000038,1
1,covalent,DOUB,C2,C4,,,,,812,bmse000039,1
2,covalent,SING,C2,N8,,,,,812,bmse000039,1
3,covalent,SING,C2,H14,,,,,812,bmse000039,1
4,covalent,SING,C3,N9,,,,,812,bmse000039,1
5,covalent,DOUB,C3,N8,,,,,812,bmse000039,1
6,covalent,SING,C3,H15,,,,,812,bmse000039,1
7,covalent,SING,C1,C4,,,,,812,bmse000039,1
8,covalent,SING,C1,C5,,,,,812,bmse000039,1
9,covalent,SING,C1,H12,,,,,812,bmse000039,1
10,covalent,SING,C1,H13,,,,,812,bmse000039,1
11,covalent,SING,C4,N9,,,,,812,bmse000039,1
12,covalent,SING,C5,C6,,,,,812,bmse000039,1
13,covalent,SING,C5,N7,,,,,812,bmse000039,1
14,covalent,SING,C5,H16,,,,,812,bmse000039,1
15,covalent,SING,C6,O10,,,,,812,bmse000039,1
16,covalent,DOUB,C6,O11,,,,,812,bmse000039,1
17,covalent,SING,N7,H17,,,,,812,bmse000039,1
18,covalent,SING,N7,H18,,,,,812,bmse000039,1
19,covalent,SING,N9,H19,,,,,812,bmse000039,1
20,covalent,SING,O10,H20,,,,,812,bmse000039,1
1,covalent,SING,C3,N5,,,,,833,bmse000040,1
2,covalent,SING,N5,H14,,,,,833,bmse000040,1
3,covalent,SING,N5,H15,,,,,833,bmse000040,1
4,covalent,SING,C3,C4,,,,,833,bmse000040,1
5,covalent,SING,C3,C1,,,,,833,bmse000040,1
6,covalent,SING,C3,H13,,,,,833,bmse000040,1
7,covalent,DOUB,C4,O7,,,,,833,bmse000040,1
8,covalent,SING,C4,O8,,,,,833,bmse000040,1
9,covalent,SING,C1,C2,,,,,833,bmse000040,1
10,covalent,SING,C1,H9,,,,,833,bmse000040,1
11,covalent,SING,C1,H10,,,,,833,bmse000040,1
12,covalent,SING,O8,H17,,,,,833,bmse000040,1
13,covalent,SING,C2,O6,,,,,833,bmse000040,1
14,covalent,SING,C2,H11,,,,,833,bmse000040,1
15,covalent,SING,C2,H12,,,,,833,bmse000040,1
16,covalent,SING,O6,H16,,,,,833,bmse000040,1
1,covalent,SING,C3,C4,,,,,855,bmse000041,1
2,covalent,SING,C3,C1,,,,,855,bmse000041,1
3,covalent,SING,C3,H16,,,,,855,bmse000041,1
4,covalent,SING,C3,H17,,,,,855,bmse000041,1
5,covalent,SING,C4,C5,,,,,855,bmse000041,1
6,covalent,SING,C4,C2,,,,,855,bmse000041,1
7,covalent,SING,C4,H18,,,,,855,bmse000041,1
8,covalent,SING,C5,C6,,,,,855,bmse000041,1
9,covalent,SING,C5,N7,,,,,855,bmse000041,1
10,covalent,SING,C5,H19,,,,,855,bmse000041,1
11,covalent,DOUB,C6,O8,,,,,855,bmse000041,1
12,covalent,SING,C6,O9,,,,,855,bmse000041,1
13,covalent,SING,C1,H12,,,,,855,bmse000041,1
14,covalent,SING,C1,H11,,,,,855,bmse000041,1
15,covalent,SING,C1,H10,,,,,855,bmse000041,1
16,covalent,SING,C2,H14,,,,,855,bmse000041,1
17,covalent,SING,C2,H13,,,,,855,bmse000041,1
18,covalent,SING,C2,H15,,,,,855,bmse000041,1
19,covalent,SING,N7,H20,,,,,855,bmse000041,1
20,covalent,SING,N7,H21,,,,,855,bmse000041,1
21,covalent,SING,O9,H22,,,,,855,bmse000041,1
1,covalent,SING,C5,N7,,,,,878,bmse000042,1
2,covalent,SING,N7,H20,,,,,878,bmse000042,1
3,covalent,SING,N7,H21,,,,,878,bmse000042,1
4,covalent,SING,C5,C6,,,,,878,bmse000042,1
5,covalent,SING,C5,C3,,,,,878,bmse000042,1
6,covalent,SING,C5,H19,,,,,878,bmse000042,1
7,covalent,DOUB,C6,O8,,,,,878,bmse000042,1
8,covalent,SING,C6,O9,,,,,878,bmse000042,1
9,covalent,SING,C3,C4,,,,,878,bmse000042,1
10,covalent,SING,C3,H16,,,,,878,bmse000042,1
11,covalent,SING,C3,H17,,,,,878,bmse000042,1
12,covalent,SING,C4,C1,,,,,878,bmse000042,1
13,covalent,SING,C4,C2,,,,,878,bmse000042,1
14,covalent,SING,C4,H18,,,,,878,bmse000042,1
15,covalent,SING,C1,H12,,,,,878,bmse000042,1
16,covalent,SING,C1,H10,,,,,878,bmse000042,1
17,covalent,SING,C1,H11,,,,,878,bmse000042,1
18,covalent,SING,C2,H13,,,,,878,bmse000042,1
19,covalent,SING,C2,H14,,,,,878,bmse000042,1
20,covalent,SING,C2,H15,,,,,878,bmse000042,1
21,covalent,SING,O9,H22,,,,,878,bmse000042,1
1,covalent,SING,C5,N8,,,,,902,bmse000043,1
2,covalent,SING,N8,H22,,,,,902,bmse000043,1
3,covalent,SING,N8,H23,,,,,902,bmse000043,1
4,covalent,SING,C5,C6,,,,,902,bmse000043,1
5,covalent,SING,C5,C3,,,,,902,bmse000043,1
6,covalent,SING,C5,H19,,,,,902,bmse000043,1
7,covalent,DOUB,C6,O9,,,,,902,bmse000043,1
8,covalent,SING,C6,O10,,,,,902,bmse000043,1
9,covalent,SING,C3,C1,,,,,902,bmse000043,1
10,covalent,SING,C3,H15,,,,,902,bmse000043,1
11,covalent,SING,C3,H16,,,,,902,bmse000043,1
12,covalent,SING,C1,C2,,,,,902,bmse000043,1
13,covalent,SING,C1,H11,,,,,902,bmse000043,1
14,covalent,SING,C1,H12,,,,,902,bmse000043,1
15,covalent,SING,C2,C4,,,,,902,bmse000043,1
16,covalent,SING,C2,H13,,,,,902,bmse000043,1
17,covalent,SING,C2,H14,,,,,902,bmse000043,1
18,covalent,SING,C4,N7,,,,,902,bmse000043,1
19,covalent,SING,C4,H17,,,,,902,bmse000043,1
20,covalent,SING,C4,H18,,,,,902,bmse000043,1
21,covalent,SING,N7,H20,,,,,902,bmse000043,1
22,covalent,SING,N7,H21,,,,,902,bmse000043,1
23,covalent,SING,O10,H24,,,,,902,bmse000043,1
1,covalent,SING,C4,N6,,,,,926,bmse000044,1
2,covalent,SING,N6,H18,,,,,926,bmse000044,1
3,covalent,SING,N6,H19,,,,,926,bmse000044,1
4,covalent,SING,C4,C5,,,,,926,bmse000044,1
5,covalent,SING,C4,C2,,,,,926,bmse000044,1
6,covalent,SING,C4,H17,,,,,926,bmse000044,1
7,covalent,DOUB,C5,O7,,,,,926,bmse000044,1
8,covalent,SING,C5,O8,,,,,926,bmse000044,1
9,covalent,SING,C2,C3,,,,,926,bmse000044,1
10,covalent,SING,C2,H13,,,,,926,bmse000044,1
11,covalent,SING,C2,H14,,,,,926,bmse000044,1
12,covalent,SING,C3,S9,,,,,926,bmse000044,1
13,covalent,SING,C3,H15,,,,,926,bmse000044,1
14,covalent,SING,C3,H16,,,,,926,bmse000044,1
15,covalent,SING,S9,C1,,,,,926,bmse000044,1
16,covalent,SING,C1,H10,,,,,926,bmse000044,1
17,covalent,SING,C1,H12,,,,,926,bmse000044,1
18,covalent,SING,C1,H11,,,,,926,bmse000044,1
19,covalent,SING,O8,H20,,,,,926,bmse000044,1
1,covalent,DOUB,C1,C2,,,,,951,bmse000045,1
2,covalent,SING,C1,C3,,,,,951,bmse000045,1
3,covalent,SING,C1,H13,,,,,951,bmse000045,1
4,covalent,SING,C2,C4,,,,,951,bmse000045,1
5,covalent,SING,C2,H14,,,,,951,bmse000045,1
6,covalent,DOUB,C3,C5,,,,,951,bmse000045,1
7,covalent,SING,C3,H15,,,,,951,bmse000045,1
8,covalent,DOUB,C4,C7,,,,,951,bmse000045,1
9,covalent,SING,C4,H16,,,,,951,bmse000045,1
10,covalent,SING,C5,C7,,,,,951,bmse000045,1
11,covalent,SING,C5,H17,,,,,951,bmse000045,1
12,covalent,SING,C6,C7,,,,,951,bmse000045,1
13,covalent,SING,C6,C8,,,,,951,bmse000045,1
14,covalent,SING,C6,H18,,,,,951,bmse000045,1
15,covalent,SING,C6,H19,,,,,951,bmse000045,1
16,covalent,SING,C8,C9,,,,,951,bmse000045,1
17,covalent,SING,C8,N10,,,,,951,bmse000045,1
18,covalent,SING,C8,H20,,,,,951,bmse000045,1
19,covalent,SING,C9,O11,,,,,951,bmse000045,1
20,covalent,DOUB,C9,O12,,,,,951,bmse000045,1
21,covalent,SING,N10,H21,,,,,951,bmse000045,1
22,covalent,SING,N10,H22,,,,,951,bmse000045,1
23,covalent,SING,O11,H23,,,,,951,bmse000045,1
1,covalent,SING,C1,C3,,,,,976,bmse000046,1
2,covalent,SING,C1,C2,,,,,976,bmse000046,1
3,covalent,SING,C1,H10,,,,,976,bmse000046,1
4,covalent,SING,C1,H11,,,,,976,bmse000046,1
5,covalent,SING,C4,C2,,,,,976,bmse000046,1
6,covalent,DOUB,C4,O8,,,,,976,bmse000046,1
7,covalent,SING,C4,O9,,,,,976,bmse000046,1
8,covalent,DOUB,C3,O6,,,,,976,bmse000046,1
9,covalent,SING,C3,O7,,,,,976,bmse000046,1
10,covalent,SING,C2,O5,,,,,976,bmse000046,1
11,covalent,SING,C2,H12,,,,,976,bmse000046,1
12,covalent,SING,O9,H15,,,,,976,bmse000046,1
13,covalent,SING,O7,H14,,,,,976,bmse000046,1
14,covalent,SING,O5,H13,,,,,976,bmse000046,1
1,covalent,SING,N6,C4,,,,,1000,bmse000047,1
2,covalent,SING,N6,C3,,,,,1000,bmse000047,1
3,covalent,SING,N6,H16,,,,,1000,bmse000047,1
4,covalent,SING,C4,C5,,,,,1000,bmse000047,1
5,covalent,SING,C4,C2,,,,,1000,bmse000047,1
6,covalent,SING,C4,H15,,,,,1000,bmse000047,1
7,covalent,DOUB,C5,O7,,,,,1000,bmse000047,1
8,covalent,SING,C5,O8,,,,,1000,bmse000047,1
9,covalent,SING,C2,C1,,,,,1000,bmse000047,1
10,covalent,SING,C2,H11,,,,,1000,bmse000047,1
11,covalent,SING,C2,H12,,,,,1000,bmse000047,1
12,covalent,SING,C1,C3,,,,,1000,bmse000047,1
13,covalent,SING,C1,H9,,,,,1000,bmse000047,1
14,covalent,SING,C1,H10,,,,,1000,bmse000047,1
15,covalent,SING,C3,H13,,,,,1000,bmse000047,1
16,covalent,SING,C3,H14,,,,,1000,bmse000047,1
17,covalent,SING,O8,H17,,,,,1000,bmse000047,1
1,covalent,SING,C2,N4,,,,,1024,bmse000048,1
2,covalent,SING,N4,H11,,,,,1024,bmse000048,1
3,covalent,SING,N4,H12,,,,,1024,bmse000048,1
4,covalent,SING,C2,C3,,,,,1024,bmse000048,1
5,covalent,SING,C2,C1,,,,,1024,bmse000048,1
6,covalent,SING,C2,H10,,,,,1024,bmse000048,1
7,covalent,DOUB,C3,O6,,,,,1024,bmse000048,1
8,covalent,SING,C3,O7,,,,,1024,bmse000048,1
9,covalent,SING,C1,O5,,,,,1024,bmse000048,1
10,covalent,SING,C1,H8,,,,,1024,bmse000048,1
11,covalent,SING,C1,H9,,,,,1024,bmse000048,1
12,covalent,SING,O5,H13,,,,,1024,bmse000048,1
13,covalent,SING,O7,H14,,,,,1024,bmse000048,1
1,covalent,SING,C1,C2,,,,,1045,bmse000049,1
2,covalent,SING,C1,H11,,,,,1045,bmse000049,1
3,covalent,SING,C1,H9,,,,,1045,bmse000049,1
4,covalent,SING,C1,H10,,,,,1045,bmse000049,1
5,covalent,SING,C2,C3,,,,,1045,bmse000049,1
6,covalent,SING,C2,O6,,,,,1045,bmse000049,1
7,covalent,SING,C2,H12,,,,,1045,bmse000049,1
8,covalent,SING,C3,C4,,,,,1045,bmse000049,1
9,covalent,SING,C3,N5,,,,,1045,bmse000049,1
10,covalent,SING,C3,H13,,,,,1045,bmse000049,1
11,covalent,DOUB,C4,O7,,,,,1045,bmse000049,1
12,covalent,SING,C4,O8,,,,,1045,bmse000049,1
13,covalent,SING,O6,H16,,,,,1045,bmse000049,1
14,covalent,SING,N5,H14,,,,,1045,bmse000049,1
15,covalent,SING,N5,H15,,,,,1045,bmse000049,1
16,covalent,SING,O8,H17,,,,,1045,bmse000049,1
1,covalent,DOUB,C1,C2,,,,,1066,bmse000050,1
2,covalent,SING,C1,C3,,,,,1066,bmse000050,1
3,covalent,SING,C1,H16,,,,,1066,bmse000050,1
4,covalent,SING,C2,C4,,,,,1066,bmse000050,1
5,covalent,SING,C2,H17,,,,,1066,bmse000050,1
6,covalent,DOUB,C3,C8,,,,,1066,bmse000050,1
7,covalent,SING,C3,H18,,,,,1066,bmse000050,1
8,covalent,DOUB,C4,C10,,,,,1066,bmse000050,1
9,covalent,SING,C4,H19,,,,,1066,bmse000050,1
10,covalent,DOUB,C6,C7,,,,,1066,bmse000050,1
11,covalent,SING,C6,N13,,,,,1066,bmse000050,1
12,covalent,SING,C6,H22,,,,,1066,bmse000050,1
13,covalent,SING,C5,C7,,,,,1066,bmse000050,1
14,covalent,SING,C5,C9,,,,,1066,bmse000050,1
15,covalent,SING,C5,H20,,,,,1066,bmse000050,1
16,covalent,SING,C5,H21,,,,,1066,bmse000050,1
17,covalent,SING,C8,C10,,,,,1066,bmse000050,1
18,covalent,SING,C8,C7,,,,,1066,bmse000050,1
19,covalent,SING,C10,N13,,,,,1066,bmse000050,1
20,covalent,SING,C9,C11,,,,,1066,bmse000050,1
21,covalent,SING,C9,N12,,,,,1066,bmse000050,1
22,covalent,SING,C9,H23,,,,,1066,bmse000050,1
23,covalent,SING,C11,O14,,,,,1066,bmse000050,1
24,covalent,DOUB,C11,O15,,,,,1066,bmse000050,1
25,covalent,SING,N12,H24,,,,,1066,bmse000050,1
26,covalent,SING,N12,H25,,,,,1066,bmse000050,1
27,covalent,SING,N13,H26,,,,,1066,bmse000050,1
28,covalent,SING,O14,H27,,,,,1066,bmse000050,1
1,covalent,DOUB,C1,C3,,,,,1086,bmse000051,1
2,covalent,SING,C1,C6,,,,,1086,bmse000051,1
3,covalent,SING,C1,H14,,,,,1086,bmse000051,1
4,covalent,SING,C2,C4,,,,,1086,bmse000051,1
5,covalent,DOUB,C2,C6,,,,,1086,bmse000051,1
6,covalent,SING,C2,H15,,,,,1086,bmse000051,1
7,covalent,SING,C3,C7,,,,,1086,bmse000051,1
8,covalent,SING,C3,H16,,,,,1086,bmse000051,1
9,covalent,DOUB,C4,C7,,,,,1086,bmse000051,1
10,covalent,SING,C4,H17,,,,,1086,bmse000051,1
11,covalent,SING,C5,C6,,,,,1086,bmse000051,1
12,covalent,SING,C5,C8,,,,,1086,bmse000051,1
13,covalent,SING,C5,H18,,,,,1086,bmse000051,1
14,covalent,SING,C5,H19,,,,,1086,bmse000051,1
15,covalent,SING,C7,O11,,,,,1086,bmse000051,1
16,covalent,SING,C8,C9,,,,,1086,bmse000051,1
17,covalent,SING,C8,N10,,,,,1086,bmse000051,1
18,covalent,SING,C8,H20,,,,,1086,bmse000051,1
19,covalent,SING,C9,O12,,,,,1086,bmse000051,1
20,covalent,DOUB,C9,O13,,,,,1086,bmse000051,1
21,covalent,SING,N10,H21,,,,,1086,bmse000051,1
22,covalent,SING,N10,H22,,,,,1086,bmse000051,1
23,covalent,SING,O11,H23,,,,,1086,bmse000051,1
24,covalent,SING,O12,H24,,,,,1086,bmse000051,1
1,covalent,SING,C4,N6,,,,,1114,bmse000052,1
2,covalent,SING,N6,H17,,,,,1114,bmse000052,1
3,covalent,SING,N6,H18,,,,,1114,bmse000052,1
4,covalent,SING,C4,C5,,,,,1114,bmse000052,1
5,covalent,SING,C4,C3,,,,,1114,bmse000052,1
6,covalent,SING,C4,H16,,,,,1114,bmse000052,1
7,covalent,DOUB,C5,O7,,,,,1114,bmse000052,1
8,covalent,SING,C5,O8,,,,,1114,bmse000052,1
9,covalent,SING,C3,C1,,,,,1114,bmse000052,1
10,covalent,SING,C3,C2,,,,,1114,bmse000052,1
11,covalent,SING,C3,H15,,,,,1114,bmse000052,1
12,covalent,SING,C1,H9,,,,,1114,bmse000052,1
13,covalent,SING,C1,H11,,,,,1114,bmse000052,1
14,covalent,SING,C1,H10,,,,,1114,bmse000052,1
15,covalent,SING,C2,H13,,,,,1114,bmse000052,1
16,covalent,SING,C2,H14,,,,,1114,bmse000052,1
17,covalent,SING,C2,H12,,,,,1114,bmse000052,1
18,covalent,SING,O8,H19,,,,,1114,bmse000052,1
1,covalent,DOUB,C1,C2,,,,,1135,bmse000053,1
2,covalent,SING,C1,C3,,,,,1135,bmse000053,1
3,covalent,SING,C1,H45,,,,,1135,bmse000053,1
4,covalent,SING,C2,C9,,,,,1135,bmse000053,1
5,covalent,SING,C2,H46,,,,,1135,bmse000053,1
6,covalent,DOUB,C3,N27,,,,,1135,bmse000053,1
7,covalent,SING,C3,H47,,,,,1135,bmse000053,1
8,covalent,DOUB,C4,C9,,,,,1135,bmse000053,1
9,covalent,SING,C4,N27,,,,,1135,bmse000053,1
10,covalent,SING,C4,H48,,,,,1135,bmse000053,1
11,covalent,DOUB,C7,N24,,,,,1135,bmse000053,1
12,covalent,SING,C7,N25,,,,,1135,bmse000053,1
13,covalent,SING,C7,H53,,,,,1135,bmse000053,1
14,covalent,DOUB,C8,N26,,,,,1135,bmse000053,1
15,covalent,SING,C8,N28,,,,,1135,bmse000053,1
16,covalent,SING,C8,H54,,,,,1135,bmse000053,1
17,covalent,SING,C11,C6,,,,,1135,bmse000053,1
18,covalent,SING,C6,O39,,,,,1135,bmse000053,1
19,covalent,SING,C6,H51,,,,,1135,bmse000053,1
20,covalent,SING,C6,H52,,,,,1135,bmse000053,1
21,covalent,SING,C10,C5,,,,,1135,bmse000053,1
22,covalent,SING,C5,O38,,,,,1135,bmse000053,1
23,covalent,SING,C5,H49,,,,,1135,bmse000053,1
24,covalent,SING,C5,H50,,,,,1135,bmse000053,1
25,covalent,SING,C9,C18,,,,,1135,bmse000053,1
26,covalent,DOUB,C12,C17,,,,,1135,bmse000053,1
27,covalent,SING,C12,C19,,,,,1135,bmse000053,1
28,covalent,SING,C12,N26,,,,,1135,bmse000053,1
29,covalent,SING,C17,N22,,,,,1135,bmse000053,1
30,covalent,SING,C17,N24,,,,,1135,bmse000053,1
31,covalent,DOUB,C19,N25,,,,,1135,bmse000053,1
32,covalent,SING,C19,N28,,,,,1135,bmse000053,1
33,covalent,SING,C11,C14,,,,,1135,bmse000053,1
34,covalent,SING,C11,O41,,,,,1135,bmse000053,1
35,covalent,SING,C11,H56,,,,,1135,bmse000053,1
36,covalent,SING,C10,C13,,,,,1135,bmse000053,1
37,covalent,SING,C10,O40,,,,,1135,bmse000053,1
38,covalent,SING,C10,H55,,,,,1135,bmse000053,1
39,covalent,SING,C14,C16,,,,,1135,bmse000053,1
40,covalent,SING,C14,O30,,,,,1135,bmse000053,1
41,covalent,SING,C14,H58,,,,,1135,bmse000053,1
42,covalent,SING,C13,C15,,,,,1135,bmse000053,1
43,covalent,SING,C13,O29,,,,,1135,bmse000053,1
44,covalent,SING,C13,H57,,,,,1135,bmse000053,1
45,covalent,SING,C16,C21,,,,,1135,bmse000053,1
46,covalent,SING,C16,O32,,,,,1135,bmse000053,1
47,covalent,SING,C16,H60,,,,,1135,bmse000053,1
48,covalent,SING,C15,C20,,,,,1135,bmse000053,1
49,covalent,SING,C15,O31,,,,,1135,bmse000053,1
50,covalent,SING,C15,H59,,,,,1135,bmse000053,1
51,covalent,SING,C21,N28,,,,,1135,bmse000053,1
52,covalent,SING,C21,O41,,,,,1135,bmse000053,1
53,covalent,SING,C21,H62,,,,,1135,bmse000053,1
54,covalent,SING,C20,N27,,,,,1135,bmse000053,1
55,covalent,SING,C20,O40,,,,,1135,bmse000053,1
56,covalent,SING,C20,H61,,,,,1135,bmse000053,1
57,covalent,SING,C18,N23,,,,,1135,bmse000053,1
58,covalent,DOUB,C18,O33,,,,,1135,bmse000053,1
59,covalent,SING,N22,H63,,,,,1135,bmse000053,1
60,covalent,SING,N22,H64,,,,,1135,bmse000053,1
61,covalent,SING,N23,H65,,,,,1135,bmse000053,1
62,covalent,SING,N23,H66,,,,,1135,bmse000053,1
63,covalent,SING,O30,H68,,,,,1135,bmse000053,1
64,covalent,SING,O29,H67,,,,,1135,bmse000053,1
65,covalent,SING,O32,H70,,,,,1135,bmse000053,1
66,covalent,SING,O31,H69,,,,,1135,bmse000053,1
67,covalent,SING,O36,P44,,,,,1135,bmse000053,1
68,covalent,SING,O36,H72,,,,,1135,bmse000053,1
69,covalent,SING,O34,P43,,,,,1135,bmse000053,1
70,covalent,SING,O34,H71,,,,,1135,bmse000053,1
71,covalent,DOUB,O37,P44,,,,,1135,bmse000053,1
72,covalent,DOUB,O35,P43,,,,,1135,bmse000053,1
73,covalent,SING,O39,P44,,,,,1135,bmse000053,1
74,covalent,SING,O38,P43,,,,,1135,bmse000053,1
75,covalent,SING,O42,P44,,,,,1135,bmse000053,1
76,covalent,SING,O42,P43,,,,,1135,bmse000053,1
1,covalent,DOUB,C7,N24,,,,,1161,bmse000054,1
2,covalent,SING,C7,N25,,,,,1161,bmse000054,1
3,covalent,SING,C7,H54,,,,,1161,bmse000054,1
4,covalent,DOUB,C8,N26,,,,,1161,bmse000054,1
5,covalent,SING,C8,N28,,,,,1161,bmse000054,1
6,covalent,SING,C8,H55,,,,,1161,bmse000054,1
7,covalent,SING,C2,C1,,,,,1161,bmse000054,1
8,covalent,SING,C2,C9,,,,,1161,bmse000054,1
9,covalent,SING,C2,H46,,,,,1161,bmse000054,1
10,covalent,SING,C2,H47,,,,,1161,bmse000054,1
11,covalent,DOUB,C1,C3,,,,,1161,bmse000054,1
12,covalent,SING,C1,H45,,,,,1161,bmse000054,1
13,covalent,SING,C3,N27,,,,,1161,bmse000054,1
14,covalent,SING,C3,H48,,,,,1161,bmse000054,1
15,covalent,DOUB,C4,C9,,,,,1161,bmse000054,1
16,covalent,SING,C4,N27,,,,,1161,bmse000054,1
17,covalent,SING,C4,H49,,,,,1161,bmse000054,1
18,covalent,SING,C11,C6,,,,,1161,bmse000054,1
19,covalent,SING,C6,O39,,,,,1161,bmse000054,1
20,covalent,SING,C6,H52,,,,,1161,bmse000054,1
21,covalent,SING,C6,H53,,,,,1161,bmse000054,1
22,covalent,SING,C10,C5,,,,,1161,bmse000054,1
23,covalent,SING,C5,O38,,,,,1161,bmse000054,1
24,covalent,SING,C5,H50,,,,,1161,bmse000054,1
25,covalent,SING,C5,H51,,,,,1161,bmse000054,1
26,covalent,DOUB,C12,C17,,,,,1161,bmse000054,1
27,covalent,SING,C12,C19,,,,,1161,bmse000054,1
28,covalent,SING,C12,N26,,,,,1161,bmse000054,1
29,covalent,SING,C17,N22,,,,,1161,bmse000054,1
30,covalent,SING,C17,N24,,,,,1161,bmse000054,1
31,covalent,DOUB,C19,N25,,,,,1161,bmse000054,1
32,covalent,SING,C19,N28,,,,,1161,bmse000054,1
33,covalent,SING,C11,C14,,,,,1161,bmse000054,1
34,covalent,SING,C11,O41,,,,,1161,bmse000054,1
35,covalent,SING,C11,H57,,,,,1161,bmse000054,1
36,covalent,SING,C10,C13,,,,,1161,bmse000054,1
37,covalent,SING,C10,O40,,,,,1161,bmse000054,1
38,covalent,SING,C10,H56,,,,,1161,bmse000054,1
39,covalent,SING,C14,C16,,,,,1161,bmse000054,1
40,covalent,SING,C14,O30,,,,,1161,bmse000054,1
41,covalent,SING,C14,H59,,,,,1161,bmse000054,1
42,covalent,SING,C13,C15,,,,,1161,bmse000054,1
43,covalent,SING,C13,O29,,,,,1161,bmse000054,1
44,covalent,SING,C13,H58,,,,,1161,bmse000054,1
45,covalent,SING,C16,C21,,,,,1161,bmse000054,1
46,covalent,SING,C16,O32,,,,,1161,bmse000054,1
47,covalent,SING,C16,H61,,,,,1161,bmse000054,1
48,covalent,SING,C15,C20,,,,,1161,bmse000054,1
49,covalent,SING,C15,O31,,,,,1161,bmse000054,1
50,covalent,SING,C15,H60,,,,,1161,bmse000054,1
51,covalent,SING,C21,N28,,,,,1161,bmse000054,1
52,covalent,SING,C21,O41,,,,,1161,bmse000054,1
53,covalent,SING,C21,H63,,,,,1161,bmse000054,1
54,covalent,SING,C20,N27,,,,,1161,bmse000054,1
55,covalent,SING,C20,O40,,,,,1161,bmse000054,1
56,covalent,SING,C20,H62,,,,,1161,bmse000054,1
57,covalent,SING,C9,C18,,,,,1161,bmse000054,1
58,covalent,SING,C18,N23,,,,,1161,bmse000054,1
59,covalent,DOUB,C18,O33,,,,,1161,bmse000054,1
60,covalent,SING,N22,H64,,,,,1161,bmse000054,1
61,covalent,SING,N22,H65,,,,,1161,bmse000054,1
62,covalent,SING,N23,H66,,,,,1161,bmse000054,1
63,covalent,SING,N23,H67,,,,,1161,bmse000054,1
64,covalent,SING,O30,H69,,,,,1161,bmse000054,1
65,covalent,SING,O29,H68,,,,,1161,bmse000054,1
66,covalent,SING,O32,H71,,,,,1161,bmse000054,1
67,covalent,SING,O31,H70,,,,,1161,bmse000054,1
68,covalent,SING,O36,P44,,,,,1161,bmse000054,1
69,covalent,SING,O36,H73,,,,,1161,bmse000054,1
70,covalent,SING,O34,P43,,,,,1161,bmse000054,1
71,covalent,SING,O34,H72,,,,,1161,bmse000054,1
72,covalent,DOUB,O37,P44,,,,,1161,bmse000054,1
73,covalent,DOUB,O35,P43,,,,,1161,bmse000054,1
74,covalent,SING,O39,P44,,,,,1161,bmse000054,1
75,covalent,SING,O38,P43,,,,,1161,bmse000054,1
76,covalent,SING,O42,P44,,,,,1161,bmse000054,1
77,covalent,SING,O42,P43,,,,,1161,bmse000054,1
1,covalent,SING,H58,C7,,,,,1189,bmse000055,1
2,covalent,SING,H59,C8,,,,,1189,bmse000055,1
3,covalent,SING,H49,C1,,,,,1189,bmse000055,1
4,covalent,SING,H52,C3,,,,,1189,bmse000055,1
5,covalent,SING,H53,C4,,,,,1189,bmse000055,1
6,covalent,SING,H50,C2,,,,,1189,bmse000055,1
7,covalent,SING,H51,C2,,,,,1189,bmse000055,1
8,covalent,SING,H63,C14,,,,,1189,bmse000055,1
9,covalent,SING,H62,C13,,,,,1189,bmse000055,1
10,covalent,SING,H65,C16,,,,,1189,bmse000055,1
11,covalent,SING,H64,C15,,,,,1189,bmse000055,1
12,covalent,SING,H61,C11,,,,,1189,bmse000055,1
13,covalent,SING,H60,C10,,,,,1189,bmse000055,1
14,covalent,SING,H67,C21,,,,,1189,bmse000055,1
15,covalent,SING,H66,C20,,,,,1189,bmse000055,1
16,covalent,SING,H56,C6,,,,,1189,bmse000055,1
17,covalent,SING,H57,C6,,,,,1189,bmse000055,1
18,covalent,SING,H54,C5,,,,,1189,bmse000055,1
19,covalent,SING,H55,C5,,,,,1189,bmse000055,1
20,covalent,SING,H68,N22,,,,,1189,bmse000055,1
21,covalent,SING,H69,N22,,,,,1189,bmse000055,1
22,covalent,SING,H70,N23,,,,,1189,bmse000055,1
23,covalent,SING,H71,N23,,,,,1189,bmse000055,1
24,covalent,SING,H73,O30,,,,,1189,bmse000055,1
25,covalent,SING,H72,O29,,,,,1189,bmse000055,1
26,covalent,SING,H74,O31,,,,,1189,bmse000055,1
27,covalent,DOUB,C7,N25,,,,,1189,bmse000055,1
28,covalent,SING,C7,N24,,,,,1189,bmse000055,1
29,covalent,DOUB,C8,N26,,,,,1189,bmse000055,1
30,covalent,SING,C8,N28,,,,,1189,bmse000055,1
31,covalent,DOUB,C12,C19,,,,,1189,bmse000055,1
32,covalent,SING,C12,C17,,,,,1189,bmse000055,1
33,covalent,SING,C12,N26,,,,,1189,bmse000055,1
34,covalent,SING,C19,N25,,,,,1189,bmse000055,1
35,covalent,SING,C19,N28,,,,,1189,bmse000055,1
36,covalent,DOUB,C17,N24,,,,,1189,bmse000055,1
37,covalent,SING,C17,N22,,,,,1189,bmse000055,1
38,covalent,DOUB,C1,C3,,,,,1189,bmse000055,1
39,covalent,SING,C1,C2,,,,,1189,bmse000055,1
40,covalent,SING,C3,N27,,,,,1189,bmse000055,1
41,covalent,DOUB,C4,C9,,,,,1189,bmse000055,1
42,covalent,SING,C4,N27,,,,,1189,bmse000055,1
43,covalent,SING,C9,C18,,,,,1189,bmse000055,1
44,covalent,SING,C9,C2,,,,,1189,bmse000055,1
45,covalent,SING,C18,N23,,,,,1189,bmse000055,1
46,covalent,DOUB,C18,O32,,,,,1189,bmse000055,1
47,covalent,SING,C14,C16,,,,,1189,bmse000055,1
48,covalent,SING,C14,C11,,,,,1189,bmse000055,1
49,covalent,SING,C14,O30,,,,,1189,bmse000055,1
50,covalent,SING,C13,C15,,,,,1189,bmse000055,1
51,covalent,SING,C13,C10,,,,,1189,bmse000055,1
52,covalent,SING,C13,O29,,,,,1189,bmse000055,1
53,covalent,SING,C16,C21,,,,,1189,bmse000055,1
54,covalent,SING,C16,O44,,,,,1189,bmse000055,1
55,covalent,SING,C15,C20,,,,,1189,bmse000055,1
56,covalent,SING,C15,O31,,,,,1189,bmse000055,1
57,covalent,SING,C11,C6,,,,,1189,bmse000055,1
58,covalent,SING,C11,O43,,,,,1189,bmse000055,1
59,covalent,SING,C10,C5,,,,,1189,bmse000055,1
60,covalent,SING,C10,O42,,,,,1189,bmse000055,1
61,covalent,SING,C21,N28,,,,,1189,bmse000055,1
62,covalent,SING,C21,O43,,,,,1189,bmse000055,1
63,covalent,SING,C20,N27,,,,,1189,bmse000055,1
64,covalent,SING,C20,O42,,,,,1189,bmse000055,1
65,covalent,SING,C6,O41,,,,,1189,bmse000055,1
66,covalent,SING,C5,O40,,,,,1189,bmse000055,1
67,covalent,SING,O33,P46,,,,,1189,bmse000055,1
68,covalent,SING,O33,H75,,,,,1189,bmse000055,1
69,covalent,SING,O34,P46,,,,,1189,bmse000055,1
70,covalent,SING,O34,H76,,,,,1189,bmse000055,1
71,covalent,SING,O38,P48,,,,,1189,bmse000055,1
72,covalent,SING,O38,H78,,,,,1189,bmse000055,1
73,covalent,SING,O36,P47,,,,,1189,bmse000055,1
74,covalent,SING,O36,H77,,,,,1189,bmse000055,1
75,covalent,DOUB,O35,P46,,,,,1189,bmse000055,1
76,covalent,DOUB,O39,P48,,,,,1189,bmse000055,1
77,covalent,DOUB,O37,P47,,,,,1189,bmse000055,1
78,covalent,SING,O44,P46,,,,,1189,bmse000055,1
79,covalent,SING,O41,P48,,,,,1189,bmse000055,1
80,covalent,SING,O40,P47,,,,,1189,bmse000055,1
81,covalent,SING,O45,P48,,,,,1189,bmse000055,1
82,covalent,SING,O45,P47,,,,,1189,bmse000055,1
1,covalent,SING,C5,C7,,,,,1216,bmse000056,1
2,covalent,SING,C5,C8,,,,,1216,bmse000056,1
3,covalent,SING,C5,N9,,,,,1216,bmse000056,1
4,covalent,SING,C5,H22,,,,,1216,bmse000056,1
5,covalent,SING,C7,C6,,,,,1216,bmse000056,1
6,covalent,SING,C7,O13,,,,,1216,bmse000056,1
7,covalent,SING,C7,H24,,,,,1216,bmse000056,1
8,covalent,SING,C8,O15,,,,,1216,bmse000056,1
9,covalent,SING,C8,O14,,,,,1216,bmse000056,1
10,covalent,SING,C8,H25,,,,,1216,bmse000056,1
11,covalent,SING,N9,C3,,,,,1216,bmse000056,1
12,covalent,SING,N9,H26,,,,,1216,bmse000056,1
13,covalent,SING,C6,C4,,,,,1216,bmse000056,1
14,covalent,SING,C6,O12,,,,,1216,bmse000056,1
15,covalent,SING,C6,H23,,,,,1216,bmse000056,1
16,covalent,SING,O13,H29,,,,,1216,bmse000056,1
17,covalent,SING,O15,C4,,,,,1216,bmse000056,1
18,covalent,SING,O14,H30,,,,,1216,bmse000056,1
19,covalent,SING,C3,C1,,,,,1216,bmse000056,1
20,covalent,DOUB,C3,O11,,,,,1216,bmse000056,1
21,covalent,SING,C4,C2,,,,,1216,bmse000056,1
22,covalent,SING,C4,H21,,,,,1216,bmse000056,1
23,covalent,SING,O12,H28,,,,,1216,bmse000056,1
24,covalent,SING,C1,H16,,,,,1216,bmse000056,1
25,covalent,SING,C1,H18,,,,,1216,bmse000056,1
26,covalent,SING,C1,H17,,,,,1216,bmse000056,1
27,covalent,SING,C2,O10,,,,,1216,bmse000056,1
28,covalent,SING,C2,H19,,,,,1216,bmse000056,1
29,covalent,SING,C2,H20,,,,,1216,bmse000056,1
30,covalent,SING,O10,H27,,,,,1216,bmse000056,1
1,covalent,SING,C9,C7,,,,,1238,bmse000057,1
2,covalent,SING,C9,O21,,,,,1238,bmse000057,1
3,covalent,SING,C9,C8,,,,,1238,bmse000057,1
4,covalent,SING,C9,H33,,,,,1238,bmse000057,1
5,covalent,SING,C7,C5,,,,,1238,bmse000057,1
6,covalent,SING,C7,N12,,,,,1238,bmse000057,1
7,covalent,SING,C7,H31,,,,,1238,bmse000057,1
8,covalent,SING,O21,C11,,,,,1238,bmse000057,1
9,covalent,SING,C8,C6,,,,,1238,bmse000057,1
10,covalent,SING,C8,O17,,,,,1238,bmse000057,1
11,covalent,SING,C8,H32,,,,,1238,bmse000057,1
12,covalent,SING,C5,C2,,,,,1238,bmse000057,1
13,covalent,SING,C5,O15,,,,,1238,bmse000057,1
14,covalent,SING,C5,H29,,,,,1238,bmse000057,1
15,covalent,SING,N12,C4,,,,,1238,bmse000057,1
16,covalent,SING,N12,H34,,,,,1238,bmse000057,1
17,covalent,SING,C11,C2,,,,,1238,bmse000057,1
18,covalent,SING,C11,C10,,,,,1238,bmse000057,1
19,covalent,SING,C11,O20,,,,,1238,bmse000057,1
20,covalent,SING,C6,C3,,,,,1238,bmse000057,1
21,covalent,SING,C6,O16,,,,,1238,bmse000057,1
22,covalent,SING,C6,H30,,,,,1238,bmse000057,1
23,covalent,SING,O17,H38,,,,,1238,bmse000057,1
24,covalent,SING,C2,H25,,,,,1238,bmse000057,1
25,covalent,SING,C2,H26,,,,,1238,bmse000057,1
26,covalent,SING,O15,H36,,,,,1238,bmse000057,1
27,covalent,SING,C4,C1,,,,,1238,bmse000057,1
28,covalent,DOUB,C4,O14,,,,,1238,bmse000057,1
29,covalent,SING,C10,O18,,,,,1238,bmse000057,1
30,covalent,DOUB,C10,O19,,,,,1238,bmse000057,1
31,covalent,SING,O20,H40,,,,,1238,bmse000057,1
32,covalent,SING,C3,O13,,,,,1238,bmse000057,1
33,covalent,SING,C3,H27,,,,,1238,bmse000057,1
34,covalent,SING,C3,H28,,,,,1238,bmse000057,1
35,covalent,SING,O16,H37,,,,,1238,bmse000057,1
36,covalent,SING,C1,H23,,,,,1238,bmse000057,1
37,covalent,SING,C1,H24,,,,,1238,bmse000057,1
38,covalent,SING,C1,H22,,,,,1238,bmse000057,1
39,covalent,SING,O18,H39,,,,,1238,bmse000057,1
40,covalent,SING,O13,H35,,,,,1238,bmse000057,1
1,covalent,SING,C7,O15,,,,,1260,bmse000058,1
2,covalent,SING,C7,C2,,,,,1260,bmse000058,1
3,covalent,DOUB,C7,O12,,,,,1260,bmse000058,1
4,covalent,SING,O15,C4,,,,,1260,bmse000058,1
5,covalent,SING,C2,C1,,,,,1260,bmse000058,1
6,covalent,SING,C2,H18,,,,,1260,bmse000058,1
7,covalent,SING,C2,H19,,,,,1260,bmse000058,1
8,covalent,SING,C4,C3,,,,,1260,bmse000058,1
9,covalent,SING,C4,H22,,,,,1260,bmse000058,1
10,covalent,SING,C4,H23,,,,,1260,bmse000058,1
11,covalent,SING,C1,C6,,,,,1260,bmse000058,1
12,covalent,SING,C1,H16,,,,,1260,bmse000058,1
13,covalent,SING,C1,H17,,,,,1260,bmse000058,1
14,covalent,SING,C3,C5,,,,,1260,bmse000058,1
15,covalent,SING,C3,H20,,,,,1260,bmse000058,1
16,covalent,SING,C3,H21,,,,,1260,bmse000058,1
17,covalent,SING,C6,O10,,,,,1260,bmse000058,1
18,covalent,DOUB,C6,O11,,,,,1260,bmse000058,1
19,covalent,SING,C5,C8,,,,,1260,bmse000058,1
20,covalent,SING,C5,N9,,,,,1260,bmse000058,1
21,covalent,SING,C5,H24,,,,,1260,bmse000058,1
22,covalent,SING,O10,H27,,,,,1260,bmse000058,1
23,covalent,SING,C8,O13,,,,,1260,bmse000058,1
24,covalent,DOUB,C8,O14,,,,,1260,bmse000058,1
25,covalent,SING,N9,H25,,,,,1260,bmse000058,1
26,covalent,SING,N9,H26,,,,,1260,bmse000058,1
27,covalent,SING,O13,H28,,,,,1260,bmse000058,1
1,covalent,SING,C1,S27,,,,,1282,bmse000059,1
2,covalent,SING,C1,H30,,,,,1282,bmse000059,1
3,covalent,SING,C1,H28,,,,,1282,bmse000059,1
4,covalent,SING,C1,H29,,,,,1282,bmse000059,1
5,covalent,DOUB,C5,N18,,,,,1282,bmse000059,1
6,covalent,SING,C5,N19,,,,,1282,bmse000059,1
7,covalent,SING,C5,H37,,,,,1282,bmse000059,1
8,covalent,DOUB,C6,N20,,,,,1282,bmse000059,1
9,covalent,SING,C6,N21,,,,,1282,bmse000059,1
10,covalent,SING,C6,H38,,,,,1282,bmse000059,1
11,covalent,SING,C2,C3,,,,,1282,bmse000059,1
12,covalent,SING,C2,C7,,,,,1282,bmse000059,1
13,covalent,SING,C2,H31,,,,,1282,bmse000059,1
14,covalent,SING,C2,H32,,,,,1282,bmse000059,1
15,covalent,SING,C3,S27,,,,,1282,bmse000059,1
16,covalent,SING,C3,H33,,,,,1282,bmse000059,1
17,covalent,SING,C3,H34,,,,,1282,bmse000059,1
18,covalent,SING,C8,C4,,,,,1282,bmse000059,1
19,covalent,SING,C4,S27,,,,,1282,bmse000059,1
20,covalent,SING,C4,H35,,,,,1282,bmse000059,1
21,covalent,SING,C4,H36,,,,,1282,bmse000059,1
22,covalent,DOUB,C9,C12,,,,,1282,bmse000059,1
23,covalent,SING,C9,C13,,,,,1282,bmse000059,1
24,covalent,SING,C9,N20,,,,,1282,bmse000059,1
25,covalent,SING,C12,N17,,,,,1282,bmse000059,1
26,covalent,SING,C12,N18,,,,,1282,bmse000059,1
27,covalent,DOUB,C13,N19,,,,,1282,bmse000059,1
28,covalent,SING,C13,N21,,,,,1282,bmse000059,1
29,covalent,SING,C8,C10,,,,,1282,bmse000059,1
30,covalent,SING,C8,O26,,,,,1282,bmse000059,1
31,covalent,SING,C8,H40,,,,,1282,bmse000059,1
32,covalent,SING,C10,C11,,,,,1282,bmse000059,1
33,covalent,SING,C10,O22,,,,,1282,bmse000059,1
34,covalent,SING,C10,H41,,,,,1282,bmse000059,1
35,covalent,SING,C11,C14,,,,,1282,bmse000059,1
36,covalent,SING,C11,O23,,,,,1282,bmse000059,1
37,covalent,SING,C11,H42,,,,,1282,bmse000059,1
38,covalent,SING,C14,N21,,,,,1282,bmse000059,1
39,covalent,SING,C14,O26,,,,,1282,bmse000059,1
40,covalent,SING,C14,H43,,,,,1282,bmse000059,1
41,covalent,SING,C7,C15,,,,,1282,bmse000059,1
42,covalent,SING,C7,N16,,,,,1282,bmse000059,1
43,covalent,SING,C7,H39,,,,,1282,bmse000059,1
44,covalent,SING,C15,O24,,,,,1282,bmse000059,1
45,covalent,DOUB,C15,O25,,,,,1282,bmse000059,1
46,covalent,SING,N17,H46,,,,,1282,bmse000059,1
47,covalent,SING,N17,H47,,,,,1282,bmse000059,1
48,covalent,SING,N16,H44,,,,,1282,bmse000059,1
49,covalent,SING,N16,H45,,,,,1282,bmse000059,1
50,covalent,SING,O22,H48,,,,,1282,bmse000059,1
51,covalent,SING,O23,H49,,,,,1282,bmse000059,1
52,covalent,SING,O24,H50,,,,,1282,bmse000059,1
1,covalent,SING,C1,N7,,,,,1303,bmse000060,1
2,covalent,DOUB,C1,N9,,,,,1303,bmse000060,1
3,covalent,SING,C1,H11,,,,,1303,bmse000060,1
4,covalent,DOUB,C2,N8,,,,,1303,bmse000060,1
5,covalent,SING,C2,N10,,,,,1303,bmse000060,1
6,covalent,SING,C2,H12,,,,,1303,bmse000060,1
7,covalent,DOUB,C3,C4,,,,,1303,bmse000060,1
8,covalent,SING,C3,C5,,,,,1303,bmse000060,1
9,covalent,SING,C3,N7,,,,,1303,bmse000060,1
10,covalent,SING,C4,N6,,,,,1303,bmse000060,1
11,covalent,SING,C4,N8,,,,,1303,bmse000060,1
12,covalent,SING,C5,N9,,,,,1303,bmse000060,1
13,covalent,DOUB,C5,N10,,,,,1303,bmse000060,1
14,covalent,SING,N6,H13,,,,,1303,bmse000060,1
15,covalent,SING,N6,H14,,,,,1303,bmse000060,1
16,covalent,SING,N7,H15,,,,,1303,bmse000060,1
1,covalent,DOUB,C2,N12,,,,,1330,bmse000061,1
2,covalent,SING,C2,N13,,,,,1330,bmse000061,1
3,covalent,SING,C2,H22,,,,,1330,bmse000061,1
4,covalent,DOUB,C3,N14,,,,,1330,bmse000061,1
5,covalent,SING,C3,N15,,,,,1330,bmse000061,1
6,covalent,SING,C3,H23,,,,,1330,bmse000061,1
7,covalent,SING,C4,C1,,,,,1330,bmse000061,1
8,covalent,SING,C1,O16,,,,,1330,bmse000061,1
9,covalent,SING,C1,H20,,,,,1330,bmse000061,1
10,covalent,SING,C1,H21,,,,,1330,bmse000061,1
11,covalent,DOUB,C5,C8,,,,,1330,bmse000061,1
12,covalent,SING,C5,C9,,,,,1330,bmse000061,1
13,covalent,SING,C5,N14,,,,,1330,bmse000061,1
14,covalent,SING,C8,N11,,,,,1330,bmse000061,1
15,covalent,SING,C8,N12,,,,,1330,bmse000061,1
16,covalent,DOUB,C9,N13,,,,,1330,bmse000061,1
17,covalent,SING,C9,N15,,,,,1330,bmse000061,1
18,covalent,SING,C4,C6,,,,,1330,bmse000061,1
19,covalent,SING,C4,O19,,,,,1330,bmse000061,1
20,covalent,SING,C4,H24,,,,,1330,bmse000061,1
21,covalent,SING,C6,C7,,,,,1330,bmse000061,1
22,covalent,SING,C6,O17,,,,,1330,bmse000061,1
23,covalent,SING,C6,H25,,,,,1330,bmse000061,1
24,covalent,SING,C7,C10,,,,,1330,bmse000061,1
25,covalent,SING,C7,O18,,,,,1330,bmse000061,1
26,covalent,SING,C7,H26,,,,,1330,bmse000061,1
27,covalent,SING,C10,N15,,,,,1330,bmse000061,1
28,covalent,SING,C10,O19,,,,,1330,bmse000061,1
29,covalent,SING,C10,H27,,,,,1330,bmse000061,1
30,covalent,SING,N11,H28,,,,,1330,bmse000061,1
31,covalent,SING,N11,H29,,,,,1330,bmse000061,1
32,covalent,SING,O16,H30,,,,,1330,bmse000061,1
33,covalent,SING,O17,H31,,,,,1330,bmse000061,1
34,covalent,SING,O18,H32,,,,,1330,bmse000061,1
1,covalent,SING,O10,C5,,,,,1356,bmse000062,1
2,covalent,SING,O10,H22,,,,,1356,bmse000062,1
3,covalent,SING,C4,O9,,,,,1356,bmse000062,1
4,covalent,SING,O9,H21,,,,,1356,bmse000062,1
5,covalent,SING,C3,O8,,,,,1356,bmse000062,1
6,covalent,SING,O8,H20,,,,,1356,bmse000062,1
7,covalent,SING,O7,C2,,,,,1356,bmse000062,1
8,covalent,SING,O7,H19,,,,,1356,bmse000062,1
9,covalent,SING,O6,C1,,,,,1356,bmse000062,1
10,covalent,SING,O6,H18,,,,,1356,bmse000062,1
11,covalent,SING,C5,C4,,,,,1356,bmse000062,1
12,covalent,SING,C5,C3,,,,,1356,bmse000062,1
13,covalent,SING,C5,H17,,,,,1356,bmse000062,1
14,covalent,SING,C4,C2,,,,,1356,bmse000062,1
15,covalent,SING,C4,H16,,,,,1356,bmse000062,1
16,covalent,SING,C3,C1,,,,,1356,bmse000062,1
17,covalent,SING,C3,H15,,,,,1356,bmse000062,1
18,covalent,SING,C2,H13,,,,,1356,bmse000062,1
19,covalent,SING,C2,H14,,,,,1356,bmse000062,1
20,covalent,SING,C1,H11,,,,,1356,bmse000062,1
21,covalent,SING,C1,H12,,,,,1356,bmse000062,1
1,covalent,SING,N6,C3,,,,,1379,bmse000063,1
2,covalent,SING,N6,H18,,,,,1379,bmse000063,1
3,covalent,SING,N6,H19,,,,,1379,bmse000063,1
4,covalent,SING,C3,C1,,,,,1379,bmse000063,1
5,covalent,SING,C3,H14,,,,,1379,bmse000063,1
6,covalent,SING,C3,H15,,,,,1379,bmse000063,1
7,covalent,SING,C1,C2,,,,,1379,bmse000063,1
8,covalent,SING,C1,H10,,,,,1379,bmse000063,1
9,covalent,SING,C1,H11,,,,,1379,bmse000063,1
10,covalent,SING,C2,C4,,,,,1379,bmse000063,1
11,covalent,SING,C2,H12,,,,,1379,bmse000063,1
12,covalent,SING,C2,H13,,,,,1379,bmse000063,1
13,covalent,SING,C4,N9,,,,,1379,bmse000063,1
14,covalent,SING,C4,H16,,,,,1379,bmse000063,1
15,covalent,SING,C4,H17,,,,,1379,bmse000063,1
16,covalent,DOUB,N9,C5,,,,,1379,bmse000063,1
17,covalent,SING,C5,N7,,,,,1379,bmse000063,1
18,covalent,SING,C5,N8,,,,,1379,bmse000063,1
19,covalent,SING,N7,H20,,,,,1379,bmse000063,1
20,covalent,SING,N7,H21,,,,,1379,bmse000063,1
21,covalent,SING,N8,H22,,,,,1379,bmse000063,1
22,covalent,SING,N8,H23,,,,,1379,bmse000063,1
1,covalent,SING,C5,C3,,,,,1403,bmse000064,1
2,covalent,DOUB,C5,O9,,,,,1403,bmse000064,1
3,covalent,SING,C5,O10,,,,,1403,bmse000064,1
4,covalent,DOUB,C3,O6,,,,,1403,bmse000064,1
5,covalent,SING,C3,C1,,,,,1403,bmse000064,1
6,covalent,DOUB,C4,O7,,,,,1403,bmse000064,1
7,covalent,SING,C4,C2,,,,,1403,bmse000064,1
8,covalent,SING,C4,O8,,,,,1403,bmse000064,1
9,covalent,SING,C1,C2,,,,,1403,bmse000064,1
10,covalent,SING,C1,H11,,,,,1403,bmse000064,1
11,covalent,SING,C1,H12,,,,,1403,bmse000064,1
12,covalent,SING,C2,H13,,,,,1403,bmse000064,1
13,covalent,SING,C2,H14,,,,,1403,bmse000064,1
14,covalent,SING,O10,H16,,,,,1403,bmse000064,1
15,covalent,SING,O8,H15,,,,,1403,bmse000064,1
1,covalent,SING,C12,C9,,,,,1428,bmse000065,1
2,covalent,SING,C12,O23,,,,,1428,bmse000065,1
3,covalent,SING,C12,O22,,,,,1428,bmse000065,1
4,covalent,SING,C12,H37,,,,,1428,bmse000065,1
5,covalent,SING,C9,C6,,,,,1428,bmse000065,1
6,covalent,SING,C9,O19,,,,,1428,bmse000065,1
7,covalent,SING,C9,H34,,,,,1428,bmse000065,1
8,covalent,SING,C6,C5,,,,,1428,bmse000065,1
9,covalent,SING,C6,O16,,,,,1428,bmse000065,1
10,covalent,SING,C6,H31,,,,,1428,bmse000065,1
11,covalent,SING,C5,C3,,,,,1428,bmse000065,1
12,covalent,SING,C5,O15,,,,,1428,bmse000065,1
13,covalent,SING,C5,H30,,,,,1428,bmse000065,1
14,covalent,SING,C3,C1,,,,,1428,bmse000065,1
15,covalent,SING,C3,O22,,,,,1428,bmse000065,1
16,covalent,SING,C3,H28,,,,,1428,bmse000065,1
17,covalent,SING,C1,O13,,,,,1428,bmse000065,1
18,covalent,SING,C1,H24,,,,,1428,bmse000065,1
19,covalent,SING,C1,H25,,,,,1428,bmse000065,1
20,covalent,SING,O23,C10,,,,,1428,bmse000065,1
21,covalent,SING,O19,H44,,,,,1428,bmse000065,1
22,covalent,SING,O16,H41,,,,,1428,bmse000065,1
23,covalent,SING,O15,H40,,,,,1428,bmse000065,1
24,covalent,SING,O13,H38,,,,,1428,bmse000065,1
25,covalent,SING,C11,C8,,,,,1428,bmse000065,1
26,covalent,SING,C11,O20,,,,,1428,bmse000065,1
27,covalent,SING,C11,O21,,,,,1428,bmse000065,1
28,covalent,SING,C11,H36,,,,,1428,bmse000065,1
29,covalent,SING,C8,C7,,,,,1428,bmse000065,1
30,covalent,SING,C8,O18,,,,,1428,bmse000065,1
31,covalent,SING,C8,H33,,,,,1428,bmse000065,1
32,covalent,SING,C7,C10,,,,,1428,bmse000065,1
33,covalent,SING,C7,O17,,,,,1428,bmse000065,1
34,covalent,SING,C7,H32,,,,,1428,bmse000065,1
35,covalent,SING,C10,C4,,,,,1428,bmse000065,1
36,covalent,SING,C10,H35,,,,,1428,bmse000065,1
37,covalent,SING,C4,C2,,,,,1428,bmse000065,1
38,covalent,SING,C4,O21,,,,,1428,bmse000065,1
39,covalent,SING,C4,H29,,,,,1428,bmse000065,1
40,covalent,SING,C2,O14,,,,,1428,bmse000065,1
41,covalent,SING,C2,H26,,,,,1428,bmse000065,1
42,covalent,SING,C2,H27,,,,,1428,bmse000065,1
43,covalent,SING,O20,H45,,,,,1428,bmse000065,1
44,covalent,SING,O18,H43,,,,,1428,bmse000065,1
45,covalent,SING,O17,H42,,,,,1428,bmse000065,1
46,covalent,SING,O14,H39,,,,,1428,bmse000065,1
1,covalent,SING,H11,C1,,,,,1452,bmse000066,1
2,covalent,SING,H12,C2,,,,,1452,bmse000066,1
3,covalent,SING,H13,C3,,,,,1452,bmse000066,1
4,covalent,SING,H14,C4,,,,,1452,bmse000066,1
5,covalent,SING,H15,N8,,,,,1452,bmse000066,1
6,covalent,SING,H16,N8,,,,,1452,bmse000066,1
7,covalent,SING,H17,O10,,,,,1452,bmse000066,1
8,covalent,DOUB,C1,C3,,,,,1452,bmse000066,1
9,covalent,SING,C1,C5,,,,,1452,bmse000066,1
10,covalent,SING,C2,C4,,,,,1452,bmse000066,1
11,covalent,DOUB,C2,C5,,,,,1452,bmse000066,1
12,covalent,SING,C3,C6,,,,,1452,bmse000066,1
13,covalent,DOUB,C4,C6,,,,,1452,bmse000066,1
14,covalent,SING,C5,C7,,,,,1452,bmse000066,1
15,covalent,SING,C6,N8,,,,,1452,bmse000066,1
16,covalent,DOUB,C7,O9,,,,,1452,bmse000066,1
17,covalent,SING,C7,O10,,,,,1452,bmse000066,1
1,covalent,DOUB,C1,C2,,,,,1475,bmse000067,1
2,covalent,SING,C1,C3,,,,,1475,bmse000067,1
3,covalent,SING,C1,H11,,,,,1475,bmse000067,1
4,covalent,SING,C2,C4,,,,,1475,bmse000067,1
5,covalent,SING,C2,H12,,,,,1475,bmse000067,1
6,covalent,DOUB,C3,C5,,,,,1475,bmse000067,1
7,covalent,SING,C3,H13,,,,,1475,bmse000067,1
8,covalent,DOUB,C4,C6,,,,,1475,bmse000067,1
9,covalent,SING,C4,H14,,,,,1475,bmse000067,1
10,covalent,SING,C5,C6,,,,,1475,bmse000067,1
11,covalent,SING,C5,C7,,,,,1475,bmse000067,1
12,covalent,SING,C6,N8,,,,,1475,bmse000067,1
13,covalent,SING,C7,O9,,,,,1475,bmse000067,1
14,covalent,DOUB,C7,O10,,,,,1475,bmse000067,1
15,covalent,SING,N8,H15,,,,,1475,bmse000067,1
16,covalent,SING,N8,H16,,,,,1475,bmse000067,1
17,covalent,SING,O9,H17,,,,,1475,bmse000067,1
1,covalent,SING,C5,C3,,,,,1498,bmse000068,1
2,covalent,SING,C5,C4,,,,,1498,bmse000068,1
3,covalent,SING,C5,O10,,,,,1498,bmse000068,1
4,covalent,SING,C5,H17,,,,,1498,bmse000068,1
5,covalent,SING,C3,C1,,,,,1498,bmse000068,1
6,covalent,SING,C3,O8,,,,,1498,bmse000068,1
7,covalent,SING,C3,H15,,,,,1498,bmse000068,1
8,covalent,SING,C4,C2,,,,,1498,bmse000068,1
9,covalent,SING,C4,O9,,,,,1498,bmse000068,1
10,covalent,SING,C4,H16,,,,,1498,bmse000068,1
11,covalent,SING,O10,H22,,,,,1498,bmse000068,1
12,covalent,SING,C1,O6,,,,,1498,bmse000068,1
13,covalent,SING,C1,H11,,,,,1498,bmse000068,1
14,covalent,SING,C1,H12,,,,,1498,bmse000068,1
15,covalent,SING,O8,H20,,,,,1498,bmse000068,1
16,covalent,SING,C2,O7,,,,,1498,bmse000068,1
17,covalent,SING,C2,H13,,,,,1498,bmse000068,1
18,covalent,SING,C2,H14,,,,,1498,bmse000068,1
19,covalent,SING,O9,H21,,,,,1498,bmse000068,1
20,covalent,SING,O6,H18,,,,,1498,bmse000068,1
21,covalent,SING,O7,H19,,,,,1498,bmse000068,1
1,covalent,SING,C1,N6,,,,,1520,bmse000069,1
2,covalent,SING,C1,H9,,,,,1520,bmse000069,1
3,covalent,SING,C1,H10,,,,,1520,bmse000069,1
4,covalent,SING,C1,H11,,,,,1520,bmse000069,1
5,covalent,SING,N6,C4,,,,,1520,bmse000069,1
6,covalent,SING,N6,C2,,,,,1520,bmse000069,1
7,covalent,SING,N6,C3,,,,,1520,bmse000069,1
8,covalent,SING,C4,C5,,,,,1520,bmse000069,1
9,covalent,SING,C4,H18,,,,,1520,bmse000069,1
10,covalent,SING,C4,H19,,,,,1520,bmse000069,1
11,covalent,DOUB,C5,O7,,,,,1520,bmse000069,1
12,covalent,SING,C5,O8,,,,,1520,bmse000069,1
13,covalent,SING,C2,H13,,,,,1520,bmse000069,1
14,covalent,SING,C2,H12,,,,,1520,bmse000069,1
15,covalent,SING,C2,H14,,,,,1520,bmse000069,1
16,covalent,SING,C3,H15,,,,,1520,bmse000069,1
17,covalent,SING,C3,H16,,,,,1520,bmse000069,1
18,covalent,SING,C3,H17,,,,,1520,bmse000069,1
1,covalent,DOUB,O7,C5,,,,,1544,bmse000070,1
2,covalent,SING,C5,C4,,,,,1544,bmse000070,1
3,covalent,SING,C5,H19,,,,,1544,bmse000070,1
4,covalent,SING,C4,N6,,,,,1544,bmse000070,1
5,covalent,SING,C4,H17,,,,,1544,bmse000070,1
6,covalent,SING,C4,H18,,,,,1544,bmse000070,1
7,covalent,SING,N6,C1,,,,,1544,bmse000070,1
8,covalent,SING,N6,C2,,,,,1544,bmse000070,1
9,covalent,SING,N6,C3,,,,,1544,bmse000070,1
10,covalent,SING,C1,H8,,,,,1544,bmse000070,1
11,covalent,SING,C1,H9,,,,,1544,bmse000070,1
12,covalent,SING,C1,H10,,,,,1544,bmse000070,1
13,covalent,SING,C2,H12,,,,,1544,bmse000070,1
14,covalent,SING,C2,H11,,,,,1544,bmse000070,1
15,covalent,SING,C2,H13,,,,,1544,bmse000070,1
16,covalent,SING,C3,H14,,,,,1544,bmse000070,1
17,covalent,SING,C3,H15,,,,,1544,bmse000070,1
18,covalent,SING,C3,H16,,,,,1544,bmse000070,1
1,covalent,DOUB,C2,N12,,,,,1566,bmse000071,1
2,covalent,SING,C2,N13,,,,,1566,bmse000071,1
3,covalent,SING,C2,H25,,,,,1566,bmse000071,1
4,covalent,DOUB,C3,N14,,,,,1566,bmse000071,1
5,covalent,SING,C3,N15,,,,,1566,bmse000071,1
6,covalent,SING,C3,H26,,,,,1566,bmse000071,1
7,covalent,SING,C1,C4,,,,,1566,bmse000071,1
8,covalent,SING,C1,O19,,,,,1566,bmse000071,1
9,covalent,SING,C1,H23,,,,,1566,bmse000071,1
10,covalent,SING,C1,H24,,,,,1566,bmse000071,1
11,covalent,DOUB,C5,C8,,,,,1566,bmse000071,1
12,covalent,SING,C5,C9,,,,,1566,bmse000071,1
13,covalent,SING,C5,N14,,,,,1566,bmse000071,1
14,covalent,SING,C8,N11,,,,,1566,bmse000071,1
15,covalent,SING,C8,N12,,,,,1566,bmse000071,1
16,covalent,DOUB,C9,N13,,,,,1566,bmse000071,1
17,covalent,SING,C9,N15,,,,,1566,bmse000071,1
18,covalent,SING,C4,C7,,,,,1566,bmse000071,1
19,covalent,SING,C4,O20,,,,,1566,bmse000071,1
20,covalent,SING,C4,H27,,,,,1566,bmse000071,1
21,covalent,SING,C6,C7,,,,,1566,bmse000071,1
22,covalent,SING,C6,C10,,,,,1566,bmse000071,1
23,covalent,SING,C6,O16,,,,,1566,bmse000071,1
24,covalent,SING,C6,H28,,,,,1566,bmse000071,1
25,covalent,SING,C7,O21,,,,,1566,bmse000071,1
26,covalent,SING,C7,H29,,,,,1566,bmse000071,1
27,covalent,SING,C10,N15,,,,,1566,bmse000071,1
28,covalent,SING,C10,O20,,,,,1566,bmse000071,1
29,covalent,SING,C10,H30,,,,,1566,bmse000071,1
30,covalent,SING,N11,H31,,,,,1566,bmse000071,1
31,covalent,SING,N11,H32,,,,,1566,bmse000071,1
32,covalent,SING,O16,H33,,,,,1566,bmse000071,1
33,covalent,SING,O17,P22,,,,,1566,bmse000071,1
34,covalent,SING,O17,H34,,,,,1566,bmse000071,1
35,covalent,DOUB,O18,P22,,,,,1566,bmse000071,1
36,covalent,SING,O19,P22,,,,,1566,bmse000071,1
37,covalent,SING,O21,P22,,,,,1566,bmse000071,1
1,covalent,SING,N6,C4,,,,,1588,bmse000072,1
2,covalent,SING,N6,H18,,,,,1588,bmse000072,1
3,covalent,SING,N6,H19,,,,,1588,bmse000072,1
4,covalent,SING,N7,C5,,,,,1588,bmse000072,1
5,covalent,SING,N7,H20,,,,,1588,bmse000072,1
6,covalent,SING,N7,H21,,,,,1588,bmse000072,1
7,covalent,SING,C5,C3,,,,,1588,bmse000072,1
8,covalent,SING,C5,H16,,,,,1588,bmse000072,1
9,covalent,SING,C5,H17,,,,,1588,bmse000072,1
10,covalent,SING,C4,C2,,,,,1588,bmse000072,1
11,covalent,SING,C4,H14,,,,,1588,bmse000072,1
12,covalent,SING,C4,H15,,,,,1588,bmse000072,1
13,covalent,SING,C2,C1,,,,,1588,bmse000072,1
14,covalent,SING,C2,H10,,,,,1588,bmse000072,1
15,covalent,SING,C2,H11,,,,,1588,bmse000072,1
16,covalent,SING,C3,C1,,,,,1588,bmse000072,1
17,covalent,SING,C3,H12,,,,,1588,bmse000072,1
18,covalent,SING,C3,H13,,,,,1588,bmse000072,1
19,covalent,SING,C1,H8,,,,,1588,bmse000072,1
20,covalent,SING,C1,H9,,,,,1588,bmse000072,1
1,covalent,SING,C3,N6,,,,,1608,bmse000073,1
2,covalent,SING,N6,H18,,,,,1608,bmse000073,1
3,covalent,SING,N6,H19,,,,,1608,bmse000073,1
4,covalent,SING,C3,C1,,,,,1608,bmse000073,1
5,covalent,SING,C3,C4,,,,,1608,bmse000073,1
6,covalent,SING,C3,H17,,,,,1608,bmse000073,1
7,covalent,SING,C1,C2,,,,,1608,bmse000073,1
8,covalent,SING,C1,H13,,,,,1608,bmse000073,1
9,covalent,SING,C1,H14,,,,,1608,bmse000073,1
10,covalent,SING,C2,O12,,,,,1608,bmse000073,1
11,covalent,SING,C2,H15,,,,,1608,bmse000073,1
12,covalent,SING,C2,H16,,,,,1608,bmse000073,1
13,covalent,DOUB,C4,O10,,,,,1608,bmse000073,1
14,covalent,SING,C4,O11,,,,,1608,bmse000073,1
15,covalent,SING,O12,N9,,,,,1608,bmse000073,1
16,covalent,DOUB,N9,C5,,,,,1608,bmse000073,1
17,covalent,SING,C5,N7,,,,,1608,bmse000073,1
18,covalent,SING,C5,N8,,,,,1608,bmse000073,1
19,covalent,SING,N7,H20,,,,,1608,bmse000073,1
20,covalent,SING,N7,H21,,,,,1608,bmse000073,1
21,covalent,SING,N8,H22,,,,,1608,bmse000073,1
22,covalent,SING,N8,H23,,,,,1608,bmse000073,1
23,covalent,SING,O11,H24,,,,,1608,bmse000073,1
1,covalent,SING,C1,N8,,,,,1631,bmse000074,1
2,covalent,SING,C1,H12,,,,,1631,bmse000074,1
3,covalent,SING,C1,H13,,,,,1631,bmse000074,1
4,covalent,SING,C1,H14,,,,,1631,bmse000074,1
5,covalent,SING,N8,C2,,,,,1631,bmse000074,1
6,covalent,SING,N8,C3,,,,,1631,bmse000074,1
7,covalent,SING,N8,C5,,,,,1631,bmse000074,1
8,covalent,SING,C2,H16,,,,,1631,bmse000074,1
9,covalent,SING,C2,H17,,,,,1631,bmse000074,1
10,covalent,SING,C2,H15,,,,,1631,bmse000074,1
11,covalent,SING,C3,H20,,,,,1631,bmse000074,1
12,covalent,SING,C3,H19,,,,,1631,bmse000074,1
13,covalent,SING,C3,H18,,,,,1631,bmse000074,1
14,covalent,SING,C5,C6,,,,,1631,bmse000074,1
15,covalent,SING,C5,H23,,,,,1631,bmse000074,1
16,covalent,SING,C5,H24,,,,,1631,bmse000074,1
17,covalent,SING,C6,O9,,,,,1631,bmse000074,1
18,covalent,SING,C6,C4,,,,,1631,bmse000074,1
19,covalent,SING,C6,H25,,,,,1631,bmse000074,1
20,covalent,SING,O9,H26,,,,,1631,bmse000074,1
21,covalent,SING,C4,C7,,,,,1631,bmse000074,1
22,covalent,SING,C4,H21,,,,,1631,bmse000074,1
23,covalent,SING,C4,H22,,,,,1631,bmse000074,1
24,covalent,SING,C7,O10,,,,,1631,bmse000074,1
25,covalent,DOUB,C7,O11,,,,,1631,bmse000074,1
26,covalent,SING,O10,H27,,,,,1631,bmse000074,1
1,covalent,SING,C8,C4,,,,,1655,bmse000075,1
2,covalent,SING,C8,C7,,,,,1655,bmse000075,1
3,covalent,SING,C8,O16,,,,,1655,bmse000075,1
4,covalent,SING,C8,H23,,,,,1655,bmse000075,1
5,covalent,DOUB,C4,C6,,,,,1655,bmse000075,1
6,covalent,SING,C4,H21,,,,,1655,bmse000075,1
7,covalent,SING,C7,C3,,,,,1655,bmse000075,1
8,covalent,SING,C7,O11,,,,,1655,bmse000075,1
9,covalent,SING,C7,H22,,,,,1655,bmse000075,1
10,covalent,SING,O16,C5,,,,,1655,bmse000075,1
11,covalent,SING,C6,C2,,,,,1655,bmse000075,1
12,covalent,SING,C6,C10,,,,,1655,bmse000075,1
13,covalent,DOUB,C3,C2,,,,,1655,bmse000075,1
14,covalent,SING,C3,H20,,,,,1655,bmse000075,1
15,covalent,SING,O11,H24,,,,,1655,bmse000075,1
16,covalent,SING,C5,C9,,,,,1655,bmse000075,1
17,covalent,DOUB,C5,C1,,,,,1655,bmse000075,1
18,covalent,SING,C2,H19,,,,,1655,bmse000075,1
19,covalent,SING,C10,O14,,,,,1655,bmse000075,1
20,covalent,DOUB,C10,O15,,,,,1655,bmse000075,1
21,covalent,SING,C9,O12,,,,,1655,bmse000075,1
22,covalent,DOUB,C9,O13,,,,,1655,bmse000075,1
23,covalent,SING,C1,H17,,,,,1655,bmse000075,1
24,covalent,SING,C1,H18,,,,,1655,bmse000075,1
25,covalent,SING,O14,H26,,,,,1655,bmse000075,1
26,covalent,SING,O12,H25,,,,,1655,bmse000075,1
1,covalent,SING,C1,C3,,,,,1677,bmse000076,1
2,covalent,SING,C1,C6,,,,,1677,bmse000076,1
3,covalent,SING,C1,H14,,,,,1677,bmse000076,1
4,covalent,SING,C1,H15,,,,,1677,bmse000076,1
5,covalent,SING,C2,C4,,,,,1677,bmse000076,1
6,covalent,SING,C2,C6,,,,,1677,bmse000076,1
7,covalent,SING,C2,H16,,,,,1677,bmse000076,1
8,covalent,SING,C2,H17,,,,,1677,bmse000076,1
9,covalent,SING,C3,O7,,,,,1677,bmse000076,1
10,covalent,DOUB,C3,O8,,,,,1677,bmse000076,1
11,covalent,SING,C4,O9,,,,,1677,bmse000076,1
12,covalent,DOUB,C4,O10,,,,,1677,bmse000076,1
13,covalent,SING,C5,C6,,,,,1677,bmse000076,1
14,covalent,SING,C5,O11,,,,,1677,bmse000076,1
15,covalent,DOUB,C5,O12,,,,,1677,bmse000076,1
16,covalent,SING,C6,O13,,,,,1677,bmse000076,1
17,covalent,SING,O7,H18,,,,,1677,bmse000076,1
18,covalent,SING,O9,H19,,,,,1677,bmse000076,1
19,covalent,SING,O11,H20,,,,,1677,bmse000076,1
20,covalent,SING,O13,H21,,,,,1677,bmse000076,1
1,covalent,DOUB,C1,C2,,,,,1701,bmse000077,1
2,covalent,SING,C1,C3,,,,,1701,bmse000077,1
3,covalent,SING,C1,H12,,,,,1701,bmse000077,1
4,covalent,SING,C2,C4,,,,,1701,bmse000077,1
5,covalent,SING,C2,H13,,,,,1701,bmse000077,1
6,covalent,DOUB,C3,C7,,,,,1701,bmse000077,1
7,covalent,SING,C3,H14,,,,,1701,bmse000077,1
8,covalent,DOUB,C4,C8,,,,,1701,bmse000077,1
9,covalent,SING,C4,H15,,,,,1701,bmse000077,1
10,covalent,DOUB,C5,C6,,,,,1701,bmse000077,1
11,covalent,SING,C5,C7,,,,,1701,bmse000077,1
12,covalent,SING,C5,H16,,,,,1701,bmse000077,1
13,covalent,SING,C6,C9,,,,,1701,bmse000077,1
14,covalent,SING,C6,H17,,,,,1701,bmse000077,1
15,covalent,SING,C7,C8,,,,,1701,bmse000077,1
16,covalent,SING,C8,O11,,,,,1701,bmse000077,1
17,covalent,DOUB,C9,O10,,,,,1701,bmse000077,1
18,covalent,SING,C9,O11,,,,,1701,bmse000077,1
1,covalent,SING,C4,N7,,,,,1723,bmse000078,1
2,covalent,DOUB,C4,N5,,,,,1723,bmse000078,1
3,covalent,SING,C4,N6,,,,,1723,bmse000078,1
4,covalent,SING,N7,C2,,,,,1723,bmse000078,1
5,covalent,SING,N7,C1,,,,,1723,bmse000078,1
6,covalent,SING,N5,H15,,,,,1723,bmse000078,1
7,covalent,SING,C3,C2,,,,,1723,bmse000078,1
8,covalent,DOUB,C3,O8,,,,,1723,bmse000078,1
9,covalent,SING,C3,O9,,,,,1723,bmse000078,1
10,covalent,SING,C2,H13,,,,,1723,bmse000078,1
11,covalent,SING,C2,H14,,,,,1723,bmse000078,1
12,covalent,SING,N6,H16,,,,,1723,bmse000078,1
13,covalent,SING,N6,H17,,,,,1723,bmse000078,1
14,covalent,SING,O9,H18,,,,,1723,bmse000078,1
15,covalent,SING,C1,H10,,,,,1723,bmse000078,1
16,covalent,SING,C1,H11,,,,,1723,bmse000078,1
17,covalent,SING,C1,H12,,,,,1723,bmse000078,1
1,covalent,DOUB,O10,P13,,,,,1747,bmse000079,1
2,covalent,SING,P13,N6,,,,,1747,bmse000079,1
3,covalent,SING,P13,O11,,,,,1747,bmse000079,1
4,covalent,SING,P13,O12,,,,,1747,bmse000079,1
5,covalent,DOUB,N6,C4,,,,,1747,bmse000079,1
6,covalent,SING,C4,N7,,,,,1747,bmse000079,1
7,covalent,SING,C4,N5,,,,,1747,bmse000079,1
8,covalent,SING,N7,C2,,,,,1747,bmse000079,1
9,covalent,SING,N7,C1,,,,,1747,bmse000079,1
10,covalent,SING,C2,C3,,,,,1747,bmse000079,1
11,covalent,SING,C2,H17,,,,,1747,bmse000079,1
12,covalent,SING,C2,H18,,,,,1747,bmse000079,1
13,covalent,DOUB,C3,O8,,,,,1747,bmse000079,1
14,covalent,SING,C3,O9,,,,,1747,bmse000079,1
15,covalent,SING,O11,H22,,,,,1747,bmse000079,1
16,covalent,SING,O12,H23,,,,,1747,bmse000079,1
17,covalent,SING,N5,H19,,,,,1747,bmse000079,1
18,covalent,SING,N5,H20,,,,,1747,bmse000079,1
19,covalent,SING,C1,H15,,,,,1747,bmse000079,1
20,covalent,SING,C1,H14,,,,,1747,bmse000079,1
21,covalent,SING,C1,H16,,,,,1747,bmse000079,1
22,covalent,SING,O9,H21,,,,,1747,bmse000079,1
1,covalent,SING,C3,C1,,,,,1768,bmse000080,1
2,covalent,SING,C3,N6,,,,,1768,bmse000080,1
3,covalent,SING,C3,H11,,,,,1768,bmse000080,1
4,covalent,SING,C3,H12,,,,,1768,bmse000080,1
5,covalent,DOUB,C1,C2,,,,,1768,bmse000080,1
6,covalent,SING,C1,H9,,,,,1768,bmse000080,1
7,covalent,SING,C2,C4,,,,,1768,bmse000080,1
8,covalent,SING,C2,H10,,,,,1768,bmse000080,1
9,covalent,SING,C4,N6,,,,,1768,bmse000080,1
10,covalent,SING,C4,C5,,,,,1768,bmse000080,1
11,covalent,SING,C4,H13,,,,,1768,bmse000080,1
12,covalent,SING,N6,H14,,,,,1768,bmse000080,1
13,covalent,DOUB,C5,O7,,,,,1768,bmse000080,1
14,covalent,SING,C5,O8,,,,,1768,bmse000080,1
15,covalent,SING,O8,H15,,,,,1768,bmse000080,1
1,covalent,SING,C4,C2,,,,,1790,bmse000083,1
2,covalent,DOUB,C4,O7,,,,,1790,bmse000083,1
3,covalent,SING,C4,O8,,,,,1790,bmse000083,1
4,covalent,SING,C3,C1,,,,,1790,bmse000083,1
5,covalent,DOUB,C3,O5,,,,,1790,bmse000083,1
6,covalent,SING,C3,O6,,,,,1790,bmse000083,1
7,covalent,DOUB,C1,C2,,,,,1790,bmse000083,1
8,covalent,SING,C1,H9,,,,,1790,bmse000083,1
9,covalent,SING,C2,H10,,,,,1790,bmse000083,1
10,covalent,SING,O8,H12,,,,,1790,bmse000083,1
11,covalent,SING,O6,H11,,,,,1790,bmse000083,1
1,covalent,SING,C6,C5,,,,,1812,bmse000084,1
2,covalent,DOUB,C6,O12,,,,,1812,bmse000084,1
3,covalent,SING,C6,O13,,,,,1812,bmse000084,1
4,covalent,SING,C5,C4,,,,,1812,bmse000084,1
5,covalent,SING,C5,O11,,,,,1812,bmse000084,1
6,covalent,SING,C5,H19,,,,,1812,bmse000084,1
7,covalent,SING,C4,C3,,,,,1812,bmse000084,1
8,covalent,SING,C4,O10,,,,,1812,bmse000084,1
9,covalent,SING,C4,H18,,,,,1812,bmse000084,1
10,covalent,SING,C3,C2,,,,,1812,bmse000084,1
11,covalent,SING,C3,O9,,,,,1812,bmse000084,1
12,covalent,SING,C3,H17,,,,,1812,bmse000084,1
13,covalent,SING,C2,C1,,,,,1812,bmse000084,1
14,covalent,SING,C2,O8,,,,,1812,bmse000084,1
15,covalent,SING,C2,H16,,,,,1812,bmse000084,1
16,covalent,SING,C1,O7,,,,,1812,bmse000084,1
17,covalent,SING,C1,H14,,,,,1812,bmse000084,1
18,covalent,SING,C1,H15,,,,,1812,bmse000084,1
19,covalent,SING,O13,H25,,,,,1812,bmse000084,1
20,covalent,SING,O11,H24,,,,,1812,bmse000084,1
21,covalent,SING,O10,H23,,,,,1812,bmse000084,1
22,covalent,SING,O9,H22,,,,,1812,bmse000084,1
23,covalent,SING,O8,H21,,,,,1812,bmse000084,1
24,covalent,SING,O7,H20,,,,,1812,bmse000084,1
1,covalent,SING,C6,C5,,,,,1834,bmse000086,1
2,covalent,SING,C6,O15,,,,,1834,bmse000086,1
3,covalent,SING,C6,O14,,,,,1834,bmse000086,1
4,covalent,SING,C6,H23,,,,,1834,bmse000086,1
5,covalent,SING,C5,C4,,,,,1834,bmse000086,1
6,covalent,SING,C5,O10,,,,,1834,bmse000086,1
7,covalent,SING,C5,H22,,,,,1834,bmse000086,1
8,covalent,SING,C4,C3,,,,,1834,bmse000086,1
9,covalent,SING,C4,O9,,,,,1834,bmse000086,1
10,covalent,SING,C4,H21,,,,,1834,bmse000086,1
11,covalent,SING,C3,C2,,,,,1834,bmse000086,1
12,covalent,SING,C3,O8,,,,,1834,bmse000086,1
13,covalent,SING,C3,H20,,,,,1834,bmse000086,1
14,covalent,SING,C2,C1,,,,,1834,bmse000086,1
15,covalent,SING,C2,O14,,,,,1834,bmse000086,1
16,covalent,SING,C2,H19,,,,,1834,bmse000086,1
17,covalent,SING,C1,O7,,,,,1834,bmse000086,1
18,covalent,SING,C1,H17,,,,,1834,bmse000086,1
19,covalent,SING,C1,H18,,,,,1834,bmse000086,1
20,covalent,SING,O15,P16,,,,,1834,bmse000086,1
21,covalent,SING,O10,H27,,,,,1834,bmse000086,1
22,covalent,SING,O9,H26,,,,,1834,bmse000086,1
23,covalent,SING,O8,H25,,,,,1834,bmse000086,1
24,covalent,SING,O7,H24,,,,,1834,bmse000086,1
25,covalent,DOUB,P16,O11,,,,,1834,bmse000086,1
26,covalent,SING,P16,O12,,,,,1834,bmse000086,1
27,covalent,SING,P16,O13,,,,,1834,bmse000086,1
28,covalent,SING,O12,H28,,,,,1834,bmse000086,1
29,covalent,SING,O13,H29,,,,,1834,bmse000086,1
1,covalent,SING,C6,C5,,,,,1856,bmse000087,1
2,covalent,SING,C6,O18,,,,,1856,bmse000087,1
3,covalent,SING,C6,O17,,,,,1856,bmse000087,1
4,covalent,SING,C6,H27,,,,,1856,bmse000087,1
5,covalent,SING,C5,C4,,,,,1856,bmse000087,1
6,covalent,SING,C5,O9,,,,,1856,bmse000087,1
7,covalent,SING,C5,H26,,,,,1856,bmse000087,1
8,covalent,SING,C4,C3,,,,,1856,bmse000087,1
9,covalent,SING,C4,O8,,,,,1856,bmse000087,1
10,covalent,SING,C4,H25,,,,,1856,bmse000087,1
11,covalent,SING,C3,C2,,,,,1856,bmse000087,1
12,covalent,SING,C3,O7,,,,,1856,bmse000087,1
13,covalent,SING,C3,H24,,,,,1856,bmse000087,1
14,covalent,SING,C2,C1,,,,,1856,bmse000087,1
15,covalent,SING,C2,O17,,,,,1856,bmse000087,1
16,covalent,SING,C2,H23,,,,,1856,bmse000087,1
17,covalent,SING,C1,O16,,,,,1856,bmse000087,1
18,covalent,SING,C1,H21,,,,,1856,bmse000087,1
19,covalent,SING,C1,H22,,,,,1856,bmse000087,1
20,covalent,SING,O18,P20,,,,,1856,bmse000087,1
21,covalent,SING,O9,H30,,,,,1856,bmse000087,1
22,covalent,SING,O8,H29,,,,,1856,bmse000087,1
23,covalent,SING,O7,H28,,,,,1856,bmse000087,1
24,covalent,SING,O16,P19,,,,,1856,bmse000087,1
25,covalent,SING,P19,O10,,,,,1856,bmse000087,1
26,covalent,DOUB,P19,O11,,,,,1856,bmse000087,1
27,covalent,SING,P19,O12,,,,,1856,bmse000087,1
28,covalent,SING,O10,H31,,,,,1856,bmse000087,1
29,covalent,SING,O12,H32,,,,,1856,bmse000087,1
30,covalent,SING,P20,O13,,,,,1856,bmse000087,1
31,covalent,SING,P20,O14,,,,,1856,bmse000087,1
32,covalent,DOUB,P20,O15,,,,,1856,bmse000087,1
33,covalent,SING,O13,H33,,,,,1856,bmse000087,1
34,covalent,SING,O14,H34,,,,,1856,bmse000087,1
1,covalent,DOUB,C2,O4,,,,,1878,bmse000089,1
2,covalent,SING,C2,O5,,,,,1878,bmse000089,1
3,covalent,SING,C2,C1,,,,,1878,bmse000089,1
4,covalent,SING,O5,H10,,,,,1878,bmse000089,1
5,covalent,SING,N3,C1,,,,,1878,bmse000089,1
6,covalent,SING,N3,H8,,,,,1878,bmse000089,1
7,covalent,SING,N3,H9,,,,,1878,bmse000089,1
8,covalent,SING,C1,H6,,,,,1878,bmse000089,1
9,covalent,SING,C1,H7,,,,,1878,bmse000089,1
1,covalent,SING,C1,N7,,,,,1901,bmse000090,1
2,covalent,DOUB,C1,N8,,,,,1901,bmse000090,1
3,covalent,SING,C1,H12,,,,,1901,bmse000090,1
4,covalent,DOUB,C2,C3,,,,,1901,bmse000090,1
5,covalent,SING,C2,C4,,,,,1901,bmse000090,1
6,covalent,SING,C2,N7,,,,,1901,bmse000090,1
7,covalent,SING,C3,N9,,,,,1901,bmse000090,1
8,covalent,SING,C3,N8,,,,,1901,bmse000090,1
9,covalent,SING,C4,N10,,,,,1901,bmse000090,1
10,covalent,DOUB,C4,O11,,,,,1901,bmse000090,1
11,covalent,SING,C5,N6,,,,,1901,bmse000090,1
12,covalent,SING,C5,N9,,,,,1901,bmse000090,1
13,covalent,DOUB,C5,N10,,,,,1901,bmse000090,1
14,covalent,SING,N6,H13,,,,,1901,bmse000090,1
15,covalent,SING,N6,H14,,,,,1901,bmse000090,1
16,covalent,SING,N7,H15,,,,,1901,bmse000090,1
17,covalent,SING,N9,H16,,,,,1901,bmse000090,1
1,covalent,SING,O20,C9,,,,,1923,bmse000091,1
2,covalent,SING,O20,C3,,,,,1923,bmse000091,1
3,covalent,SING,C6,O18,,,,,1923,bmse000091,1
4,covalent,SING,O18,H33,,,,,1923,bmse000091,1
5,covalent,SING,C5,O17,,,,,1923,bmse000091,1
6,covalent,SING,O17,H32,,,,,1923,bmse000091,1
7,covalent,SING,O16,C1,,,,,1923,bmse000091,1
8,covalent,SING,O16,H31,,,,,1923,bmse000091,1
9,covalent,DOUB,O19,C8,,,,,1923,bmse000091,1
10,covalent,SING,C9,N15,,,,,1923,bmse000091,1
11,covalent,SING,N15,C7,,,,,1923,bmse000091,1
12,covalent,SING,N15,C2,,,,,1923,bmse000091,1
13,covalent,SING,N13,C7,,,,,1923,bmse000091,1
14,covalent,SING,N13,C10,,,,,1923,bmse000091,1
15,covalent,SING,N13,H30,,,,,1923,bmse000091,1
16,covalent,DOUB,N12,C2,,,,,1923,bmse000091,1
17,covalent,SING,N12,C4,,,,,1923,bmse000091,1
18,covalent,SING,N14,C8,,,,,1923,bmse000091,1
19,covalent,DOUB,N14,C10,,,,,1923,bmse000091,1
20,covalent,SING,N11,C10,,,,,1923,bmse000091,1
21,covalent,SING,N11,H28,,,,,1923,bmse000091,1
22,covalent,SING,N11,H29,,,,,1923,bmse000091,1
23,covalent,SING,C9,C6,,,,,1923,bmse000091,1
24,covalent,SING,C9,H27,,,,,1923,bmse000091,1
25,covalent,SING,C6,C5,,,,,1923,bmse000091,1
26,covalent,SING,C6,H26,,,,,1923,bmse000091,1
27,covalent,SING,C5,C3,,,,,1923,bmse000091,1
28,covalent,SING,C5,H25,,,,,1923,bmse000091,1
29,covalent,SING,C3,C1,,,,,1923,bmse000091,1
30,covalent,SING,C3,H24,,,,,1923,bmse000091,1
31,covalent,SING,C1,H21,,,,,1923,bmse000091,1
32,covalent,SING,C1,H22,,,,,1923,bmse000091,1
33,covalent,DOUB,C7,C4,,,,,1923,bmse000091,1
34,covalent,SING,C2,H23,,,,,1923,bmse000091,1
35,covalent,SING,C4,C8,,,,,1923,bmse000091,1
1,covalent,DOUB,C1,C3,,,,,1950,bmse000092,1
2,covalent,SING,C1,C5,,,,,1950,bmse000092,1
3,covalent,SING,C1,H11,,,,,1950,bmse000092,1
4,covalent,SING,C2,C4,,,,,1950,bmse000092,1
5,covalent,DOUB,C2,C5,,,,,1950,bmse000092,1
6,covalent,SING,C2,H12,,,,,1950,bmse000092,1
7,covalent,SING,C3,C6,,,,,1950,bmse000092,1
8,covalent,SING,C3,H13,,,,,1950,bmse000092,1
9,covalent,DOUB,C4,C6,,,,,1950,bmse000092,1
10,covalent,SING,C4,H14,,,,,1950,bmse000092,1
11,covalent,SING,C5,C7,,,,,1950,bmse000092,1
12,covalent,SING,C6,O8,,,,,1950,bmse000092,1
13,covalent,SING,C7,O9,,,,,1950,bmse000092,1
14,covalent,DOUB,C7,O10,,,,,1950,bmse000092,1
15,covalent,SING,O8,H15,,,,,1950,bmse000092,1
16,covalent,SING,O9,H16,,,,,1950,bmse000092,1
1,covalent,DOUB,C1,C2,,,,,1971,bmse000093,1
2,covalent,SING,C1,C3,,,,,1971,bmse000093,1
3,covalent,SING,C1,H13,,,,,1971,bmse000093,1
4,covalent,SING,C2,C7,,,,,1971,bmse000093,1
5,covalent,SING,C2,H14,,,,,1971,bmse000093,1
6,covalent,DOUB,C3,C8,,,,,1971,bmse000093,1
7,covalent,SING,C3,H15,,,,,1971,bmse000093,1
8,covalent,DOUB,C6,C7,,,,,1971,bmse000093,1
9,covalent,SING,C6,C8,,,,,1971,bmse000093,1
10,covalent,SING,C6,H18,,,,,1971,bmse000093,1
11,covalent,DOUB,C4,C5,,,,,1971,bmse000093,1
12,covalent,SING,C4,C7,,,,,1971,bmse000093,1
13,covalent,SING,C4,H16,,,,,1971,bmse000093,1
14,covalent,SING,C5,C9,,,,,1971,bmse000093,1
15,covalent,SING,C5,H17,,,,,1971,bmse000093,1
16,covalent,SING,C8,O10,,,,,1971,bmse000093,1
17,covalent,SING,C9,O11,,,,,1971,bmse000093,1
18,covalent,DOUB,C9,O12,,,,,1971,bmse000093,1
19,covalent,SING,O10,H19,,,,,1971,bmse000093,1
20,covalent,SING,O11,H20,,,,,1971,bmse000093,1
1,covalent,SING,C1,N6,,,,,1993,bmse000094,1
2,covalent,DOUB,C1,N7,,,,,1993,bmse000094,1
3,covalent,SING,C1,H11,,,,,1993,bmse000094,1
4,covalent,SING,C2,N8,,,,,1993,bmse000094,1
5,covalent,DOUB,C2,N9,,,,,1993,bmse000094,1
6,covalent,SING,C2,H12,,,,,1993,bmse000094,1
7,covalent,DOUB,C3,C4,,,,,1993,bmse000094,1
8,covalent,SING,C3,C5,,,,,1993,bmse000094,1
9,covalent,SING,C3,N6,,,,,1993,bmse000094,1
10,covalent,SING,C4,N8,,,,,1993,bmse000094,1
11,covalent,SING,C4,N7,,,,,1993,bmse000094,1
12,covalent,SING,C5,N9,,,,,1993,bmse000094,1
13,covalent,DOUB,C5,O10,,,,,1993,bmse000094,1
14,covalent,SING,N6,H13,,,,,1993,bmse000094,1
15,covalent,SING,N8,H14,,,,,1993,bmse000094,1
1,covalent,SING,O5,C1,,,,,2015,bmse000095,1
2,covalent,SING,O5,H15,,,,,2015,bmse000095,1
3,covalent,SING,C1,C3,,,,,2015,bmse000095,1
4,covalent,SING,C1,H9,,,,,2015,bmse000095,1
5,covalent,SING,C1,H10,,,,,2015,bmse000095,1
6,covalent,SING,C3,C4,,,,,2015,bmse000095,1
7,covalent,SING,C3,O7,,,,,2015,bmse000095,1
8,covalent,SING,C3,H13,,,,,2015,bmse000095,1
9,covalent,SING,C4,C2,,,,,2015,bmse000095,1
10,covalent,SING,C4,O8,,,,,2015,bmse000095,1
11,covalent,SING,C4,H14,,,,,2015,bmse000095,1
12,covalent,SING,C2,O6,,,,,2015,bmse000095,1
13,covalent,SING,C2,H11,,,,,2015,bmse000095,1
14,covalent,SING,C2,H12,,,,,2015,bmse000095,1
15,covalent,SING,O6,H16,,,,,2015,bmse000095,1
16,covalent,SING,O7,H17,,,,,2015,bmse000095,1
17,covalent,SING,O8,H18,,,,,2015,bmse000095,1
1,covalent,SING,H6,C1,,,,,2037,bmse000096,1
2,covalent,SING,H7,C2,,,,,2037,bmse000096,1
3,covalent,SING,H8,C3,,,,,2037,bmse000096,1
4,covalent,SING,H9,N5,,,,,2037,bmse000096,1
5,covalent,DOUB,C1,C2,,,,,2037,bmse000096,1
6,covalent,SING,C1,N4,,,,,2037,bmse000096,1
7,covalent,SING,C2,N5,,,,,2037,bmse000096,1
8,covalent,DOUB,C3,N4,,,,,2037,bmse000096,1
9,covalent,SING,C3,N5,,,,,2037,bmse000096,1
1,covalent,DOUB,C1,C2,,,,,2059,bmse000097,1
2,covalent,SING,C1,C3,,,,,2059,bmse000097,1
3,covalent,SING,C1,H10,,,,,2059,bmse000097,1
4,covalent,SING,C2,C4,,,,,2059,bmse000097,1
5,covalent,SING,C2,H11,,,,,2059,bmse000097,1
6,covalent,DOUB,C3,C7,,,,,2059,bmse000097,1
7,covalent,SING,C3,H12,,,,,2059,bmse000097,1
8,covalent,DOUB,C4,C8,,,,,2059,bmse000097,1
9,covalent,SING,C4,H13,,,,,2059,bmse000097,1
10,covalent,DOUB,C5,C6,,,,,2059,bmse000097,1
11,covalent,SING,C5,C7,,,,,2059,bmse000097,1
12,covalent,SING,C5,H14,,,,,2059,bmse000097,1
13,covalent,SING,C6,N9,,,,,2059,bmse000097,1
14,covalent,SING,C6,H15,,,,,2059,bmse000097,1
15,covalent,SING,C7,C8,,,,,2059,bmse000097,1
16,covalent,SING,C8,N9,,,,,2059,bmse000097,1
17,covalent,SING,N9,H16,,,,,2059,bmse000097,1
1,covalent,SING,O15,C1,,,,,2081,bmse000098,1
2,covalent,SING,O15,H29,,,,,2081,bmse000098,1
3,covalent,SING,C7,O17,,,,,2081,bmse000098,1
4,covalent,SING,O17,H31,,,,,2081,bmse000098,1
5,covalent,SING,C6,O16,,,,,2081,bmse000098,1
6,covalent,SING,O16,H30,,,,,2081,bmse000098,1
7,covalent,SING,O19,C10,,,,,2081,bmse000098,1
8,covalent,SING,O19,C4,,,,,2081,bmse000098,1
9,covalent,DOUB,O18,C9,,,,,2081,bmse000098,1
10,covalent,SING,C10,N14,,,,,2081,bmse000098,1
11,covalent,SING,N14,C8,,,,,2081,bmse000098,1
12,covalent,SING,N14,C3,,,,,2081,bmse000098,1
13,covalent,SING,N11,C8,,,,,2081,bmse000098,1
14,covalent,SING,N11,C2,,,,,2081,bmse000098,1
15,covalent,SING,N11,H28,,,,,2081,bmse000098,1
16,covalent,SING,N12,C9,,,,,2081,bmse000098,1
17,covalent,DOUB,N12,C2,,,,,2081,bmse000098,1
18,covalent,SING,N13,C5,,,,,2081,bmse000098,1
19,covalent,DOUB,N13,C3,,,,,2081,bmse000098,1
20,covalent,SING,C4,C1,,,,,2081,bmse000098,1
21,covalent,SING,C1,H20,,,,,2081,bmse000098,1
22,covalent,SING,C1,H21,,,,,2081,bmse000098,1
23,covalent,SING,C10,C7,,,,,2081,bmse000098,1
24,covalent,SING,C10,H27,,,,,2081,bmse000098,1
25,covalent,SING,C4,C6,,,,,2081,bmse000098,1
26,covalent,SING,C4,H24,,,,,2081,bmse000098,1
27,covalent,SING,C7,C6,,,,,2081,bmse000098,1
28,covalent,SING,C7,H26,,,,,2081,bmse000098,1
29,covalent,SING,C6,H25,,,,,2081,bmse000098,1
30,covalent,DOUB,C8,C5,,,,,2081,bmse000098,1
31,covalent,SING,C9,C5,,,,,2081,bmse000098,1
32,covalent,SING,C2,H22,,,,,2081,bmse000098,1
33,covalent,SING,C3,H23,,,,,2081,bmse000098,1
1,covalent,SING,O7,C1,,,,,2106,bmse000099,1
2,covalent,SING,O7,H21,,,,,2106,bmse000099,1
3,covalent,SING,C1,C3,,,,,2106,bmse000099,1
4,covalent,SING,C1,H13,,,,,2106,bmse000099,1
5,covalent,SING,C1,H14,,,,,2106,bmse000099,1
6,covalent,SING,C3,O9,,,,,2106,bmse000099,1
7,covalent,SING,C3,C5,,,,,2106,bmse000099,1
8,covalent,SING,C3,H17,,,,,2106,bmse000099,1
9,covalent,SING,O9,H23,,,,,2106,bmse000099,1
10,covalent,SING,C5,O11,,,,,2106,bmse000099,1
11,covalent,SING,C5,C6,,,,,2106,bmse000099,1
12,covalent,SING,C5,H19,,,,,2106,bmse000099,1
13,covalent,SING,O11,H25,,,,,2106,bmse000099,1
14,covalent,SING,C6,O12,,,,,2106,bmse000099,1
15,covalent,SING,C6,C4,,,,,2106,bmse000099,1
16,covalent,SING,C6,H20,,,,,2106,bmse000099,1
17,covalent,SING,O12,H26,,,,,2106,bmse000099,1
18,covalent,SING,C4,O10,,,,,2106,bmse000099,1
19,covalent,SING,C4,C2,,,,,2106,bmse000099,1
20,covalent,SING,C4,H18,,,,,2106,bmse000099,1
21,covalent,SING,O10,H24,,,,,2106,bmse000099,1
22,covalent,SING,C2,O8,,,,,2106,bmse000099,1
23,covalent,SING,C2,H15,,,,,2106,bmse000099,1
24,covalent,SING,C2,H16,,,,,2106,bmse000099,1
25,covalent,SING,O8,H22,,,,,2106,bmse000099,1
1,covalent,SING,O5,C1,,,,,2128,bmse000100,1
2,covalent,SING,O5,H15,,,,,2128,bmse000100,1
3,covalent,SING,C1,C3,,,,,2128,bmse000100,1
4,covalent,SING,C1,H9,,,,,2128,bmse000100,1
5,covalent,SING,C1,H10,,,,,2128,bmse000100,1
6,covalent,SING,C3,C4,,,,,2128,bmse000100,1
7,covalent,SING,C3,O7,,,,,2128,bmse000100,1
8,covalent,SING,C3,H13,,,,,2128,bmse000100,1
9,covalent,SING,C4,C2,,,,,2128,bmse000100,1
10,covalent,SING,C4,O8,,,,,2128,bmse000100,1
11,covalent,SING,C4,H14,,,,,2128,bmse000100,1
12,covalent,SING,C2,O6,,,,,2128,bmse000100,1
13,covalent,SING,C2,H11,,,,,2128,bmse000100,1
14,covalent,SING,C2,H12,,,,,2128,bmse000100,1
15,covalent,SING,O6,H16,,,,,2128,bmse000100,1
16,covalent,SING,O7,H17,,,,,2128,bmse000100,1
17,covalent,SING,O8,H18,,,,,2128,bmse000100,1
1,covalent,DOUB,O7,C5,,,,,2150,bmse000101,1
2,covalent,SING,C5,O8,,,,,2150,bmse000101,1
3,covalent,SING,C5,C4,,,,,2150,bmse000101,1
4,covalent,SING,O8,H16,,,,,2150,bmse000101,1
5,covalent,SING,C4,C3,,,,,2150,bmse000101,1
6,covalent,DOUB,C4,O6,,,,,2150,bmse000101,1
7,covalent,SING,C3,C1,,,,,2150,bmse000101,1
8,covalent,SING,C3,C2,,,,,2150,bmse000101,1
9,covalent,SING,C3,H15,,,,,2150,bmse000101,1
10,covalent,SING,C1,H9,,,,,2150,bmse000101,1
11,covalent,SING,C1,H10,,,,,2150,bmse000101,1
12,covalent,SING,C1,H11,,,,,2150,bmse000101,1
13,covalent,SING,C2,H13,,,,,2150,bmse000101,1
14,covalent,SING,C2,H12,,,,,2150,bmse000101,1
15,covalent,SING,C2,H14,,,,,2150,bmse000101,1
1,covalent,SING,C5,C6,,,,,2172,bmse000102,1
2,covalent,SING,C5,C3,,,,,2172,bmse000102,1
3,covalent,SING,C5,O11,,,,,2172,bmse000102,1
4,covalent,SING,C5,H17,,,,,2172,bmse000102,1
5,covalent,SING,C6,C4,,,,,2172,bmse000102,1
6,covalent,SING,C6,O12,,,,,2172,bmse000102,1
7,covalent,SING,C6,H18,,,,,2172,bmse000102,1
8,covalent,SING,C3,C1,,,,,2172,bmse000102,1
9,covalent,SING,C3,O9,,,,,2172,bmse000102,1
10,covalent,SING,C3,H15,,,,,2172,bmse000102,1
11,covalent,SING,C1,C2,,,,,2172,bmse000102,1
12,covalent,SING,C1,O7,,,,,2172,bmse000102,1
13,covalent,SING,C1,H13,,,,,2172,bmse000102,1
14,covalent,SING,C4,C2,,,,,2172,bmse000102,1
15,covalent,SING,C4,O10,,,,,2172,bmse000102,1
16,covalent,SING,C4,H16,,,,,2172,bmse000102,1
17,covalent,SING,C2,O8,,,,,2172,bmse000102,1
18,covalent,SING,C2,H14,,,,,2172,bmse000102,1
19,covalent,SING,O12,H24,,,,,2172,bmse000102,1
20,covalent,SING,O10,H22,,,,,2172,bmse000102,1
21,covalent,SING,O11,H23,,,,,2172,bmse000102,1
22,covalent,SING,O8,H20,,,,,2172,bmse000102,1
23,covalent,SING,O9,H21,,,,,2172,bmse000102,1
24,covalent,SING,O7,H19,,,,,2172,bmse000102,1
1,covalent,SING,C5,C6,,,,,2194,bmse000103,1
2,covalent,SING,C5,C3,,,,,2194,bmse000103,1
3,covalent,SING,C5,O11,,,,,2194,bmse000103,1
4,covalent,SING,C5,H17,,,,,2194,bmse000103,1
5,covalent,SING,C6,C4,,,,,2194,bmse000103,1
6,covalent,SING,C6,O12,,,,,2194,bmse000103,1
7,covalent,SING,C6,H18,,,,,2194,bmse000103,1
8,covalent,SING,C3,C1,,,,,2194,bmse000103,1
9,covalent,SING,C3,O9,,,,,2194,bmse000103,1
10,covalent,SING,C3,H15,,,,,2194,bmse000103,1
11,covalent,SING,C1,C2,,,,,2194,bmse000103,1
12,covalent,SING,C1,O7,,,,,2194,bmse000103,1
13,covalent,SING,C1,H13,,,,,2194,bmse000103,1
14,covalent,SING,C4,C2,,,,,2194,bmse000103,1
15,covalent,SING,C4,O10,,,,,2194,bmse000103,1
16,covalent,SING,C4,H16,,,,,2194,bmse000103,1
17,covalent,SING,C2,O8,,,,,2194,bmse000103,1
18,covalent,SING,C2,H14,,,,,2194,bmse000103,1
19,covalent,SING,O12,H24,,,,,2194,bmse000103,1
20,covalent,SING,O10,H22,,,,,2194,bmse000103,1
21,covalent,SING,O11,H23,,,,,2194,bmse000103,1
22,covalent,SING,O8,H20,,,,,2194,bmse000103,1
23,covalent,SING,O9,H21,,,,,2194,bmse000103,1
24,covalent,SING,O7,H19,,,,,2194,bmse000103,1
1,covalent,DOUB,C1,C2,,,,,2217,bmse000104,1
2,covalent,SING,C1,C3,,,,,2217,bmse000104,1
3,covalent,SING,C1,H10,,,,,2217,bmse000104,1
4,covalent,SING,C2,C5,,,,,2217,bmse000104,1
5,covalent,SING,C2,H11,,,,,2217,bmse000104,1
6,covalent,DOUB,C3,N7,,,,,2217,bmse000104,1
7,covalent,SING,C3,H12,,,,,2217,bmse000104,1
8,covalent,DOUB,C4,C5,,,,,2217,bmse000104,1
9,covalent,SING,C4,N7,,,,,2217,bmse000104,1
10,covalent,SING,C4,H13,,,,,2217,bmse000104,1
11,covalent,SING,C5,C6,,,,,2217,bmse000104,1
12,covalent,SING,C6,O8,,,,,2217,bmse000104,1
13,covalent,DOUB,C6,O9,,,,,2217,bmse000104,1
14,covalent,SING,O8,H14,,,,,2217,bmse000104,1
1,covalent,SING,C1,N12,,,,,2239,bmse000105,1
2,covalent,SING,C1,H13,,,,,2239,bmse000105,1
3,covalent,SING,C1,H14,,,,,2239,bmse000105,1
4,covalent,SING,C1,H15,,,,,2239,bmse000105,1
5,covalent,DOUB,C2,C4,,,,,2239,bmse000105,1
6,covalent,SING,C2,C6,,,,,2239,bmse000105,1
7,covalent,SING,C2,H16,,,,,2239,bmse000105,1
8,covalent,SING,C4,C9,,,,,2239,bmse000105,1
9,covalent,SING,C4,H19,,,,,2239,bmse000105,1
10,covalent,DOUB,C6,N11,,,,,2239,bmse000105,1
11,covalent,SING,C6,H22,,,,,2239,bmse000105,1
12,covalent,DOUB,C8,C9,,,,,2239,bmse000105,1
13,covalent,SING,C8,N11,,,,,2239,bmse000105,1
14,covalent,SING,C8,H25,,,,,2239,bmse000105,1
15,covalent,SING,C3,C5,,,,,2239,bmse000105,1
16,covalent,SING,C3,C7,,,,,2239,bmse000105,1
17,covalent,SING,C3,H17,,,,,2239,bmse000105,1
18,covalent,SING,C3,H18,,,,,2239,bmse000105,1
19,covalent,SING,C5,C10,,,,,2239,bmse000105,1
20,covalent,SING,C5,H20,,,,,2239,bmse000105,1
21,covalent,SING,C5,H21,,,,,2239,bmse000105,1
22,covalent,SING,C7,N12,,,,,2239,bmse000105,1
23,covalent,SING,C7,H23,,,,,2239,bmse000105,1
24,covalent,SING,C7,H24,,,,,2239,bmse000105,1
25,covalent,SING,C10,C9,,,,,2239,bmse000105,1
26,covalent,SING,C10,N12,,,,,2239,bmse000105,1
27,covalent,SING,C10,H26,,,,,2239,bmse000105,1
1,covalent,SING,C1,O3,,,,,2261,bmse000106,1
2,covalent,DOUB,C1,O4,,,,,2261,bmse000106,1
3,covalent,SING,C1,C2,,,,,2261,bmse000106,1
4,covalent,SING,O3,H7,,,,,2261,bmse000106,1
5,covalent,DOUB,C2,O5,,,,,2261,bmse000106,1
6,covalent,SING,C2,O6,,,,,2261,bmse000106,1
7,covalent,SING,O6,H8,,,,,2261,bmse000106,1
1,covalent,DOUB,C3,O4,,,,,2279,bmse000107,1
2,covalent,SING,C3,O5,,,,,2279,bmse000107,1
3,covalent,SING,C3,C2,,,,,2279,bmse000107,1
4,covalent,SING,O5,H13,,,,,2279,bmse000107,1
5,covalent,DOUB,C2,C1,,,,,2279,bmse000107,1
6,covalent,SING,C2,O9,,,,,2279,bmse000107,1
7,covalent,SING,C1,H11,,,,,2279,bmse000107,1
8,covalent,SING,C1,H12,,,,,2279,bmse000107,1
9,covalent,SING,O9,P10,,,,,2279,bmse000107,1
10,covalent,DOUB,P10,O6,,,,,2279,bmse000107,1
11,covalent,SING,P10,O7,,,,,2279,bmse000107,1
12,covalent,SING,P10,O8,,,,,2279,bmse000107,1
13,covalent,SING,O7,H14,,,,,2279,bmse000107,1
14,covalent,SING,O8,H15,,,,,2279,bmse000107,1
1,covalent,SING,C10,C4,,,,,2300,bmse000108,1
2,covalent,SING,C10,C3,,,,,2300,bmse000108,1
3,covalent,SING,C10,C9,,,,,2300,bmse000108,1
4,covalent,SING,C10,C5,,,,,2300,bmse000108,1
5,covalent,DOUB,C4,C2,,,,,2300,bmse000108,1
6,covalent,SING,C4,H20,,,,,2300,bmse000108,1
7,covalent,SING,C2,C6,,,,,2300,bmse000108,1
8,covalent,SING,C2,H18,,,,,2300,bmse000108,1
9,covalent,SING,C6,C1,,,,,2300,bmse000108,1
10,covalent,SING,C6,O11,,,,,2300,bmse000108,1
11,covalent,SING,C6,H23,,,,,2300,bmse000108,1
12,covalent,DOUB,C1,C3,,,,,2300,bmse000108,1
13,covalent,SING,C1,H17,,,,,2300,bmse000108,1
14,covalent,SING,C3,H19,,,,,2300,bmse000108,1
15,covalent,DOUB,C9,O15,,,,,2300,bmse000108,1
16,covalent,SING,C9,O16,,,,,2300,bmse000108,1
17,covalent,SING,C5,C7,,,,,2300,bmse000108,1
18,covalent,SING,C5,H21,,,,,2300,bmse000108,1
19,covalent,SING,C5,H22,,,,,2300,bmse000108,1
20,covalent,SING,C7,C8,,,,,2300,bmse000108,1
21,covalent,DOUB,C7,O12,,,,,2300,bmse000108,1
22,covalent,DOUB,C8,O13,,,,,2300,bmse000108,1
23,covalent,SING,C8,O14,,,,,2300,bmse000108,1
24,covalent,SING,O11,H24,,,,,2300,bmse000108,1
25,covalent,SING,O16,H26,,,,,2300,bmse000108,1
26,covalent,SING,O14,H25,,,,,2300,bmse000108,1
1,covalent,SING,N5,C3,,,,,2321,bmse000109,1
2,covalent,SING,N5,H15,,,,,2321,bmse000109,1
3,covalent,SING,N5,H16,,,,,2321,bmse000109,1
4,covalent,SING,N6,C4,,,,,2321,bmse000109,1
5,covalent,SING,N6,H17,,,,,2321,bmse000109,1
6,covalent,SING,N6,H18,,,,,2321,bmse000109,1
7,covalent,SING,C4,C2,,,,,2321,bmse000109,1
8,covalent,SING,C4,H13,,,,,2321,bmse000109,1
9,covalent,SING,C4,H14,,,,,2321,bmse000109,1
10,covalent,SING,C3,C1,,,,,2321,bmse000109,1
11,covalent,SING,C3,H11,,,,,2321,bmse000109,1
12,covalent,SING,C3,H12,,,,,2321,bmse000109,1
13,covalent,SING,C1,C2,,,,,2321,bmse000109,1
14,covalent,SING,C1,H7,,,,,2321,bmse000109,1
15,covalent,SING,C1,H8,,,,,2321,bmse000109,1
16,covalent,SING,C2,H9,,,,,2321,bmse000109,1
17,covalent,SING,C2,H10,,,,,2321,bmse000109,1
1,covalent,SING,C1,C5,,,,,2343,bmse000110,1
2,covalent,SING,C1,H14,,,,,2343,bmse000110,1
3,covalent,SING,C1,H13,,,,,2343,bmse000110,1
4,covalent,SING,C1,H15,,,,,2343,bmse000110,1
5,covalent,DOUB,C2,C6,,,,,2343,bmse000110,1
6,covalent,SING,C2,N9,,,,,2343,bmse000110,1
7,covalent,SING,C2,H16,,,,,2343,bmse000110,1
8,covalent,SING,C3,C6,,,,,2343,bmse000110,1
9,covalent,SING,C3,O10,,,,,2343,bmse000110,1
10,covalent,SING,C3,H17,,,,,2343,bmse000110,1
11,covalent,SING,C3,H18,,,,,2343,bmse000110,1
12,covalent,SING,C4,C7,,,,,2343,bmse000110,1
13,covalent,DOUB,C4,O11,,,,,2343,bmse000110,1
14,covalent,SING,C4,H19,,,,,2343,bmse000110,1
15,covalent,SING,C5,C8,,,,,2343,bmse000110,1
16,covalent,DOUB,C5,N9,,,,,2343,bmse000110,1
17,covalent,SING,C6,C7,,,,,2343,bmse000110,1
18,covalent,DOUB,C7,C8,,,,,2343,bmse000110,1
19,covalent,SING,C8,O12,,,,,2343,bmse000110,1
20,covalent,SING,O10,H20,,,,,2343,bmse000110,1
21,covalent,SING,O12,H21,,,,,2343,bmse000110,1
1,covalent,SING,C1,C5,,,,,2365,bmse000111,1
2,covalent,SING,C1,H18,,,,,2365,bmse000111,1
3,covalent,SING,C1,H17,,,,,2365,bmse000111,1
4,covalent,SING,C1,H19,,,,,2365,bmse000111,1
5,covalent,DOUB,C2,C6,,,,,2365,bmse000111,1
6,covalent,SING,C2,N9,,,,,2365,bmse000111,1
7,covalent,SING,C2,H20,,,,,2365,bmse000111,1
8,covalent,SING,C4,C6,,,,,2365,bmse000111,1
9,covalent,SING,C4,O15,,,,,2365,bmse000111,1
10,covalent,SING,C4,H22,,,,,2365,bmse000111,1
11,covalent,SING,C4,H23,,,,,2365,bmse000111,1
12,covalent,SING,C3,C7,,,,,2365,bmse000111,1
13,covalent,DOUB,C3,O10,,,,,2365,bmse000111,1
14,covalent,SING,C3,H21,,,,,2365,bmse000111,1
15,covalent,SING,C5,C8,,,,,2365,bmse000111,1
16,covalent,DOUB,C5,N9,,,,,2365,bmse000111,1
17,covalent,SING,C6,C7,,,,,2365,bmse000111,1
18,covalent,DOUB,C7,C8,,,,,2365,bmse000111,1
19,covalent,SING,C8,O11,,,,,2365,bmse000111,1
20,covalent,SING,O11,H24,,,,,2365,bmse000111,1
21,covalent,SING,O12,P16,,,,,2365,bmse000111,1
22,covalent,SING,O12,H25,,,,,2365,bmse000111,1
23,covalent,SING,O13,P16,,,,,2365,bmse000111,1
24,covalent,SING,O13,H26,,,,,2365,bmse000111,1
25,covalent,DOUB,O14,P16,,,,,2365,bmse000111,1
26,covalent,SING,O15,P16,,,,,2365,bmse000111,1
1,covalent,SING,O5,C3,,,,,2386,bmse000112,1
2,covalent,SING,O5,H10,,,,,2386,bmse000112,1
3,covalent,DOUB,O4,C2,,,,,2386,bmse000112,1
4,covalent,DOUB,O6,C3,,,,,2386,bmse000112,1
5,covalent,SING,C2,C1,,,,,2386,bmse000112,1
6,covalent,SING,C2,C3,,,,,2386,bmse000112,1
7,covalent,SING,C1,H8,,,,,2386,bmse000112,1
8,covalent,SING,C1,H9,,,,,2386,bmse000112,1
9,covalent,SING,C1,H7,,,,,2386,bmse000112,1
1,covalent,SING,C6,C5,,,,,2409,bmse000113,1
2,covalent,SING,C6,C4,,,,,2409,bmse000113,1
3,covalent,SING,C6,O12,,,,,2409,bmse000113,1
4,covalent,SING,C6,H18,,,,,2409,bmse000113,1
5,covalent,SING,C5,C3,,,,,2409,bmse000113,1
6,covalent,SING,C5,O11,,,,,2409,bmse000113,1
7,covalent,SING,C5,H17,,,,,2409,bmse000113,1
8,covalent,SING,C4,C2,,,,,2409,bmse000113,1
9,covalent,SING,C4,O10,,,,,2409,bmse000113,1
10,covalent,SING,C4,H16,,,,,2409,bmse000113,1
11,covalent,SING,C2,C1,,,,,2409,bmse000113,1
12,covalent,SING,C2,O8,,,,,2409,bmse000113,1
13,covalent,SING,C2,H14,,,,,2409,bmse000113,1
14,covalent,SING,C3,C1,,,,,2409,bmse000113,1
15,covalent,SING,C3,O9,,,,,2409,bmse000113,1
16,covalent,SING,C3,H15,,,,,2409,bmse000113,1
17,covalent,SING,C1,O7,,,,,2409,bmse000113,1
18,covalent,SING,C1,H13,,,,,2409,bmse000113,1
19,covalent,SING,O11,H23,,,,,2409,bmse000113,1
20,covalent,SING,O9,H21,,,,,2409,bmse000113,1
21,covalent,SING,O12,H24,,,,,2409,bmse000113,1
22,covalent,SING,O7,H19,,,,,2409,bmse000113,1
23,covalent,SING,O10,H22,,,,,2409,bmse000113,1
24,covalent,SING,O8,H20,,,,,2409,bmse000113,1
1,covalent,SING,C1,C4,,,,,2431,bmse000114,1
2,covalent,DOUB,C1,C3,,,,,2431,bmse000114,1
3,covalent,SING,C1,H13,,,,,2431,bmse000114,1
4,covalent,SING,C4,O8,,,,,2431,bmse000114,1
5,covalent,SING,C4,C6,,,,,2431,bmse000114,1
6,covalent,SING,C4,H16,,,,,2431,bmse000114,1
7,covalent,SING,O8,H19,,,,,2431,bmse000114,1
8,covalent,SING,C6,O10,,,,,2431,bmse000114,1
9,covalent,SING,C6,C5,,,,,2431,bmse000114,1
10,covalent,SING,C6,H18,,,,,2431,bmse000114,1
11,covalent,SING,O10,H21,,,,,2431,bmse000114,1
12,covalent,SING,C5,C2,,,,,2431,bmse000114,1
13,covalent,SING,C5,O9,,,,,2431,bmse000114,1
14,covalent,SING,C5,H17,,,,,2431,bmse000114,1
15,covalent,SING,C3,C2,,,,,2431,bmse000114,1
16,covalent,SING,C3,C7,,,,,2431,bmse000114,1
17,covalent,SING,C2,H14,,,,,2431,bmse000114,1
18,covalent,SING,C2,H15,,,,,2431,bmse000114,1
19,covalent,DOUB,C7,O11,,,,,2431,bmse000114,1
20,covalent,SING,C7,O12,,,,,2431,bmse000114,1
21,covalent,SING,O12,H22,,,,,2431,bmse000114,1
22,covalent,SING,O9,H20,,,,,2431,bmse000114,1
1,covalent,SING,C2,C4,,,,,2454,bmse000115,1
2,covalent,SING,C2,O8,,,,,2454,bmse000115,1
3,covalent,SING,C2,H15,,,,,2454,bmse000115,1
4,covalent,SING,C2,H16,,,,,2454,bmse000115,1
5,covalent,SING,C4,C6,,,,,2454,bmse000115,1
6,covalent,SING,C4,O10,,,,,2454,bmse000115,1
7,covalent,SING,C4,H18,,,,,2454,bmse000115,1
8,covalent,SING,C6,C5,,,,,2454,bmse000115,1
9,covalent,SING,C6,O12,,,,,2454,bmse000115,1
10,covalent,SING,C6,H20,,,,,2454,bmse000115,1
11,covalent,SING,C5,C3,,,,,2454,bmse000115,1
12,covalent,SING,C5,O11,,,,,2454,bmse000115,1
13,covalent,SING,C5,H19,,,,,2454,bmse000115,1
14,covalent,SING,C3,C1,,,,,2454,bmse000115,1
15,covalent,SING,C3,O9,,,,,2454,bmse000115,1
16,covalent,SING,C3,H17,,,,,2454,bmse000115,1
17,covalent,SING,C1,O7,,,,,2454,bmse000115,1
18,covalent,SING,C1,H13,,,,,2454,bmse000115,1
19,covalent,SING,C1,H14,,,,,2454,bmse000115,1
20,covalent,SING,O8,H22,,,,,2454,bmse000115,1
21,covalent,SING,O10,H24,,,,,2454,bmse000115,1
22,covalent,SING,O12,H26,,,,,2454,bmse000115,1
23,covalent,SING,O11,H25,,,,,2454,bmse000115,1
24,covalent,SING,O9,H23,,,,,2454,bmse000115,1
25,covalent,SING,O7,H21,,,,,2454,bmse000115,1
1,covalent,SING,N8,C4,,,,,2476,bmse000116,1
2,covalent,SING,N8,H25,,,,,2476,bmse000116,1
3,covalent,SING,N8,H26,,,,,2476,bmse000116,1
4,covalent,SING,C4,C1,,,,,2476,bmse000116,1
5,covalent,SING,C4,H17,,,,,2476,bmse000116,1
6,covalent,SING,C4,H18,,,,,2476,bmse000116,1
7,covalent,SING,C1,C2,,,,,2476,bmse000116,1
8,covalent,SING,C1,H11,,,,,2476,bmse000116,1
9,covalent,SING,C1,H12,,,,,2476,bmse000116,1
10,covalent,SING,C2,C6,,,,,2476,bmse000116,1
11,covalent,SING,C2,H13,,,,,2476,bmse000116,1
12,covalent,SING,C2,H14,,,,,2476,bmse000116,1
13,covalent,SING,C6,N10,,,,,2476,bmse000116,1
14,covalent,SING,C6,H21,,,,,2476,bmse000116,1
15,covalent,SING,C6,H22,,,,,2476,bmse000116,1
16,covalent,SING,N10,C7,,,,,2476,bmse000116,1
17,covalent,SING,N10,H29,,,,,2476,bmse000116,1
18,covalent,SING,C7,C3,,,,,2476,bmse000116,1
19,covalent,SING,C7,H23,,,,,2476,bmse000116,1
20,covalent,SING,C7,H24,,,,,2476,bmse000116,1
21,covalent,SING,C3,C5,,,,,2476,bmse000116,1
22,covalent,SING,C3,H15,,,,,2476,bmse000116,1
23,covalent,SING,C3,H16,,,,,2476,bmse000116,1
24,covalent,SING,C5,N9,,,,,2476,bmse000116,1
25,covalent,SING,C5,H19,,,,,2476,bmse000116,1
26,covalent,SING,C5,H20,,,,,2476,bmse000116,1
27,covalent,SING,N9,H27,,,,,2476,bmse000116,1
28,covalent,SING,N9,H28,,,,,2476,bmse000116,1
1,covalent,SING,N14,C10,,,,,2497,bmse000117,1
2,covalent,SING,N14,C8,,,,,2497,bmse000117,1
3,covalent,SING,N14,H40,,,,,2497,bmse000117,1
4,covalent,SING,N13,C9,,,,,2497,bmse000117,1
5,covalent,SING,N13,C7,,,,,2497,bmse000117,1
6,covalent,SING,N13,H39,,,,,2497,bmse000117,1
7,covalent,SING,N11,C5,,,,,2497,bmse000117,1
8,covalent,SING,N11,H35,,,,,2497,bmse000117,1
9,covalent,SING,N11,H36,,,,,2497,bmse000117,1
10,covalent,SING,N12,C6,,,,,2497,bmse000117,1
11,covalent,SING,N12,H37,,,,,2497,bmse000117,1
12,covalent,SING,N12,H38,,,,,2497,bmse000117,1
13,covalent,SING,C4,C10,,,,,2497,bmse000117,1
14,covalent,SING,C4,C6,,,,,2497,bmse000117,1
15,covalent,SING,C4,H21,,,,,2497,bmse000117,1
16,covalent,SING,C4,H22,,,,,2497,bmse000117,1
17,covalent,SING,C3,C9,,,,,2497,bmse000117,1
18,covalent,SING,C3,C5,,,,,2497,bmse000117,1
19,covalent,SING,C3,H19,,,,,2497,bmse000117,1
20,covalent,SING,C3,H20,,,,,2497,bmse000117,1
21,covalent,SING,C9,H31,,,,,2497,bmse000117,1
22,covalent,SING,C9,H32,,,,,2497,bmse000117,1
23,covalent,SING,C10,H33,,,,,2497,bmse000117,1
24,covalent,SING,C10,H34,,,,,2497,bmse000117,1
25,covalent,SING,C6,H25,,,,,2497,bmse000117,1
26,covalent,SING,C6,H26,,,,,2497,bmse000117,1
27,covalent,SING,C5,H23,,,,,2497,bmse000117,1
28,covalent,SING,C5,H24,,,,,2497,bmse000117,1
29,covalent,SING,C8,C2,,,,,2497,bmse000117,1
30,covalent,SING,C8,H29,,,,,2497,bmse000117,1
31,covalent,SING,C8,H30,,,,,2497,bmse000117,1
32,covalent,SING,C7,C1,,,,,2497,bmse000117,1
33,covalent,SING,C7,H27,,,,,2497,bmse000117,1
34,covalent,SING,C7,H28,,,,,2497,bmse000117,1
35,covalent,SING,C1,C2,,,,,2497,bmse000117,1
36,covalent,SING,C1,H15,,,,,2497,bmse000117,1
37,covalent,SING,C1,H16,,,,,2497,bmse000117,1
38,covalent,SING,C2,H17,,,,,2497,bmse000117,1
39,covalent,SING,C2,H18,,,,,2497,bmse000117,1
1,covalent,DOUB,C3,O5,,,,,2515,bmse000118,1
2,covalent,SING,C3,C1,,,,,2515,bmse000118,1
3,covalent,SING,C3,O6,,,,,2515,bmse000118,1
4,covalent,DOUB,C4,O7,,,,,2515,bmse000118,1
5,covalent,SING,C4,C2,,,,,2515,bmse000118,1
6,covalent,SING,C4,O8,,,,,2515,bmse000118,1
7,covalent,SING,C1,C2,,,,,2515,bmse000118,1
8,covalent,SING,C1,H9,,,,,2515,bmse000118,1
9,covalent,SING,C1,H10,,,,,2515,bmse000118,1
10,covalent,SING,C2,H11,,,,,2515,bmse000118,1
11,covalent,SING,C2,H12,,,,,2515,bmse000118,1
12,covalent,SING,O6,H13,,,,,2515,bmse000118,1
13,covalent,SING,O8,H14,,,,,2515,bmse000118,1
1,covalent,SING,C11,C9,,,,,2534,bmse000119,1
2,covalent,SING,C11,O23,,,,,2534,bmse000119,1
3,covalent,SING,C11,O21,,,,,2534,bmse000119,1
4,covalent,SING,C11,H37,,,,,2534,bmse000119,1
5,covalent,SING,C9,C8,,,,,2534,bmse000119,1
6,covalent,SING,C9,O19,,,,,2534,bmse000119,1
7,covalent,SING,C9,H35,,,,,2534,bmse000119,1
8,covalent,SING,C8,C6,,,,,2534,bmse000119,1
9,covalent,SING,C8,O18,,,,,2534,bmse000119,1
10,covalent,SING,C8,H34,,,,,2534,bmse000119,1
11,covalent,SING,C6,C4,,,,,2534,bmse000119,1
12,covalent,SING,C6,O16,,,,,2534,bmse000119,1
13,covalent,SING,C6,H32,,,,,2534,bmse000119,1
14,covalent,SING,C4,C1,,,,,2534,bmse000119,1
15,covalent,SING,C4,O21,,,,,2534,bmse000119,1
16,covalent,SING,C4,H30,,,,,2534,bmse000119,1
17,covalent,SING,C1,O13,,,,,2534,bmse000119,1
18,covalent,SING,C1,H24,,,,,2534,bmse000119,1
19,covalent,SING,C1,H25,,,,,2534,bmse000119,1
20,covalent,SING,C12,O23,,,,,2534,bmse000119,1
21,covalent,SING,O19,H44,,,,,2534,bmse000119,1
22,covalent,SING,O18,H43,,,,,2534,bmse000119,1
23,covalent,SING,O16,H41,,,,,2534,bmse000119,1
24,covalent,SING,O13,H38,,,,,2534,bmse000119,1
25,covalent,SING,C12,C10,,,,,2534,bmse000119,1
26,covalent,SING,C12,O22,,,,,2534,bmse000119,1
27,covalent,SING,C12,C3,,,,,2534,bmse000119,1
28,covalent,SING,C10,C7,,,,,2534,bmse000119,1
29,covalent,SING,C10,O20,,,,,2534,bmse000119,1
30,covalent,SING,C10,H36,,,,,2534,bmse000119,1
31,covalent,SING,C7,C5,,,,,2534,bmse000119,1
32,covalent,SING,C7,O17,,,,,2534,bmse000119,1
33,covalent,SING,C7,H33,,,,,2534,bmse000119,1
34,covalent,SING,C5,C2,,,,,2534,bmse000119,1
35,covalent,SING,C5,O22,,,,,2534,bmse000119,1
36,covalent,SING,C5,H31,,,,,2534,bmse000119,1
37,covalent,SING,C2,O14,,,,,2534,bmse000119,1
38,covalent,SING,C2,H26,,,,,2534,bmse000119,1
39,covalent,SING,C2,H27,,,,,2534,bmse000119,1
40,covalent,SING,O20,H45,,,,,2534,bmse000119,1
41,covalent,SING,O17,H42,,,,,2534,bmse000119,1
42,covalent,SING,O14,H39,,,,,2534,bmse000119,1
43,covalent,SING,C3,O15,,,,,2534,bmse000119,1
44,covalent,SING,C3,H28,,,,,2534,bmse000119,1
45,covalent,SING,C3,H29,,,,,2534,bmse000119,1
46,covalent,SING,O15,H40,,,,,2534,bmse000119,1
1,covalent,SING,S7,C2,,,,,2556,bmse000120,1
2,covalent,DOUB,S7,O4,,,,,2556,bmse000120,1
3,covalent,DOUB,S7,O5,,,,,2556,bmse000120,1
4,covalent,SING,S7,O6,,,,,2556,bmse000120,1
5,covalent,SING,C2,C1,,,,,2556,bmse000120,1
6,covalent,SING,C2,H10,,,,,2556,bmse000120,1
7,covalent,SING,C2,H11,,,,,2556,bmse000120,1
8,covalent,SING,O6,H14,,,,,2556,bmse000120,1
9,covalent,SING,N3,C1,,,,,2556,bmse000120,1
10,covalent,SING,N3,H12,,,,,2556,bmse000120,1
11,covalent,SING,N3,H13,,,,,2556,bmse000120,1
12,covalent,SING,C1,H8,,,,,2556,bmse000120,1
13,covalent,SING,C1,H9,,,,,2556,bmse000120,1
1,covalent,SING,O5,C1,,,,,2578,bmse000121,1
2,covalent,SING,O5,H15,,,,,2578,bmse000121,1
3,covalent,SING,C1,C3,,,,,2578,bmse000121,1
4,covalent,SING,C1,H9,,,,,2578,bmse000121,1
5,covalent,SING,C1,H10,,,,,2578,bmse000121,1
6,covalent,SING,C3,C4,,,,,2578,bmse000121,1
7,covalent,SING,C3,O7,,,,,2578,bmse000121,1
8,covalent,SING,C3,H13,,,,,2578,bmse000121,1
9,covalent,SING,C4,C2,,,,,2578,bmse000121,1
10,covalent,SING,C4,O8,,,,,2578,bmse000121,1
11,covalent,SING,C4,H14,,,,,2578,bmse000121,1
12,covalent,SING,C2,O6,,,,,2578,bmse000121,1
13,covalent,SING,C2,H11,,,,,2578,bmse000121,1
14,covalent,SING,C2,H12,,,,,2578,bmse000121,1
15,covalent,SING,O6,H16,,,,,2578,bmse000121,1
16,covalent,SING,O7,H17,,,,,2578,bmse000121,1
17,covalent,SING,O8,H18,,,,,2578,bmse000121,1
1,covalent,SING,C4,C1,,,,,2600,bmse000123,1
2,covalent,SING,C4,N6,,,,,2600,bmse000123,1
3,covalent,SING,C4,C5,,,,,2600,bmse000123,1
4,covalent,SING,C4,H15,,,,,2600,bmse000123,1
5,covalent,SING,C1,C3,,,,,2600,bmse000123,1
6,covalent,SING,C1,H10,,,,,2600,bmse000123,1
7,covalent,SING,C1,H11,,,,,2600,bmse000123,1
8,covalent,SING,N6,C2,,,,,2600,bmse000123,1
9,covalent,SING,N6,H16,,,,,2600,bmse000123,1
10,covalent,SING,C5,O8,,,,,2600,bmse000123,1
11,covalent,DOUB,C5,O9,,,,,2600,bmse000123,1
12,covalent,SING,C3,C2,,,,,2600,bmse000123,1
13,covalent,SING,C3,O7,,,,,2600,bmse000123,1
14,covalent,SING,C3,H14,,,,,2600,bmse000123,1
15,covalent,SING,C2,H12,,,,,2600,bmse000123,1
16,covalent,SING,C2,H13,,,,,2600,bmse000123,1
17,covalent,SING,O8,H18,,,,,2600,bmse000123,1
18,covalent,SING,O7,H17,,,,,2600,bmse000123,1
1,covalent,DOUB,C1,C2,,,,,2626,bmse000124,1
2,covalent,SING,C1,C3,,,,,2626,bmse000124,1
3,covalent,SING,C1,H12,,,,,2626,bmse000124,1
4,covalent,SING,C2,C4,,,,,2626,bmse000124,1
5,covalent,SING,C2,H13,,,,,2626,bmse000124,1
6,covalent,DOUB,C3,C5,,,,,2626,bmse000124,1
7,covalent,SING,C3,H14,,,,,2626,bmse000124,1
8,covalent,DOUB,C4,C8,,,,,2626,bmse000124,1
9,covalent,SING,C4,H15,,,,,2626,bmse000124,1
10,covalent,SING,C5,C8,,,,,2626,bmse000124,1
11,covalent,SING,C5,H16,,,,,2626,bmse000124,1
12,covalent,DOUB,C6,C7,,,,,2626,bmse000124,1
13,covalent,SING,C6,C8,,,,,2626,bmse000124,1
14,covalent,SING,C6,H17,,,,,2626,bmse000124,1
15,covalent,SING,C7,C9,,,,,2626,bmse000124,1
16,covalent,SING,C7,H18,,,,,2626,bmse000124,1
17,covalent,SING,C9,O10,,,,,2626,bmse000124,1
18,covalent,DOUB,C9,O11,,,,,2626,bmse000124,1
19,covalent,SING,O10,H19,,,,,2626,bmse000124,1
1,covalent,SING,C11,C9,,,,,2648,bmse000125,1
2,covalent,SING,C11,O23,,,,,2648,bmse000125,1
3,covalent,SING,C11,O21,,,,,2648,bmse000125,1
4,covalent,SING,C11,H36,,,,,2648,bmse000125,1
5,covalent,SING,C9,C7,,,,,2648,bmse000125,1
6,covalent,SING,C9,O19,,,,,2648,bmse000125,1
7,covalent,SING,C9,H34,,,,,2648,bmse000125,1
8,covalent,SING,C7,C5,,,,,2648,bmse000125,1
9,covalent,SING,C7,O17,,,,,2648,bmse000125,1
10,covalent,SING,C7,H32,,,,,2648,bmse000125,1
11,covalent,SING,C5,C3,,,,,2648,bmse000125,1
12,covalent,SING,C5,O15,,,,,2648,bmse000125,1
13,covalent,SING,C5,H30,,,,,2648,bmse000125,1
14,covalent,SING,C3,C1,,,,,2648,bmse000125,1
15,covalent,SING,C3,O21,,,,,2648,bmse000125,1
16,covalent,SING,C3,H28,,,,,2648,bmse000125,1
17,covalent,SING,C1,O13,,,,,2648,bmse000125,1
18,covalent,SING,C1,H24,,,,,2648,bmse000125,1
19,covalent,SING,C1,H25,,,,,2648,bmse000125,1
20,covalent,SING,O23,C12,,,,,2648,bmse000125,1
21,covalent,SING,O19,H44,,,,,2648,bmse000125,1
22,covalent,SING,O17,H42,,,,,2648,bmse000125,1
23,covalent,SING,O15,H40,,,,,2648,bmse000125,1
24,covalent,SING,O13,H38,,,,,2648,bmse000125,1
25,covalent,SING,C12,C10,,,,,2648,bmse000125,1
26,covalent,SING,C12,O22,,,,,2648,bmse000125,1
27,covalent,SING,C12,H37,,,,,2648,bmse000125,1
28,covalent,SING,C10,C8,,,,,2648,bmse000125,1
29,covalent,SING,C10,O20,,,,,2648,bmse000125,1
30,covalent,SING,C10,H35,,,,,2648,bmse000125,1
31,covalent,SING,C8,C6,,,,,2648,bmse000125,1
32,covalent,SING,C8,O18,,,,,2648,bmse000125,1
33,covalent,SING,C8,H33,,,,,2648,bmse000125,1
34,covalent,SING,C6,C4,,,,,2648,bmse000125,1
35,covalent,SING,C6,O16,,,,,2648,bmse000125,1
36,covalent,SING,C6,H31,,,,,2648,bmse000125,1
37,covalent,SING,C4,C2,,,,,2648,bmse000125,1
38,covalent,SING,C4,O22,,,,,2648,bmse000125,1
39,covalent,SING,C4,H29,,,,,2648,bmse000125,1
40,covalent,SING,C2,O14,,,,,2648,bmse000125,1
41,covalent,SING,C2,H26,,,,,2648,bmse000125,1
42,covalent,SING,C2,H27,,,,,2648,bmse000125,1
43,covalent,SING,O20,H45,,,,,2648,bmse000125,1
44,covalent,SING,O18,H43,,,,,2648,bmse000125,1
45,covalent,SING,O16,H41,,,,,2648,bmse000125,1
46,covalent,SING,O14,H39,,,,,2648,bmse000125,1
1,covalent,DOUB,O10,C3,,,,,2671,bmse000126,1
2,covalent,DOUB,O11,C4,,,,,2671,bmse000126,1
3,covalent,DOUB,O12,C5,,,,,2671,bmse000126,1
4,covalent,SING,N7,C2,,,,,2671,bmse000126,1
5,covalent,SING,N7,C4,,,,,2671,bmse000126,1
6,covalent,SING,N7,H14,,,,,2671,bmse000126,1
7,covalent,SING,N6,C1,,,,,2671,bmse000126,1
8,covalent,SING,N6,C4,,,,,2671,bmse000126,1
9,covalent,SING,N6,H13,,,,,2671,bmse000126,1
10,covalent,SING,N8,C2,,,,,2671,bmse000126,1
11,covalent,SING,N8,C5,,,,,2671,bmse000126,1
12,covalent,SING,N8,H15,,,,,2671,bmse000126,1
13,covalent,SING,N9,C3,,,,,2671,bmse000126,1
14,covalent,SING,N9,C5,,,,,2671,bmse000126,1
15,covalent,SING,N9,H16,,,,,2671,bmse000126,1
16,covalent,DOUB,C2,C1,,,,,2671,bmse000126,1
17,covalent,SING,C1,C3,,,,,2671,bmse000126,1
1,covalent,SING,C1,N6,,,,,2688,bmse000127,1
2,covalent,DOUB,C1,N7,,,,,2688,bmse000127,1
3,covalent,SING,C1,H12,,,,,2688,bmse000127,1
4,covalent,DOUB,C2,C3,,,,,2688,bmse000127,1
5,covalent,SING,C2,C4,,,,,2688,bmse000127,1
6,covalent,SING,C2,N6,,,,,2688,bmse000127,1
7,covalent,SING,C3,N8,,,,,2688,bmse000127,1
8,covalent,SING,C3,N7,,,,,2688,bmse000127,1
9,covalent,SING,C4,N9,,,,,2688,bmse000127,1
10,covalent,DOUB,C4,O10,,,,,2688,bmse000127,1
11,covalent,SING,C5,N8,,,,,2688,bmse000127,1
12,covalent,SING,C5,N9,,,,,2688,bmse000127,1
13,covalent,DOUB,C5,O11,,,,,2688,bmse000127,1
14,covalent,SING,N6,H13,,,,,2688,bmse000127,1
15,covalent,SING,N8,H14,,,,,2688,bmse000127,1
16,covalent,SING,N9,H15,,,,,2688,bmse000127,1
1,covalent,SING,O20,C9,,,,,2711,bmse000128,1
2,covalent,SING,O20,C3,,,,,2711,bmse000128,1
3,covalent,SING,C6,O17,,,,,2711,bmse000128,1
4,covalent,SING,O17,H32,,,,,2711,bmse000128,1
5,covalent,SING,C5,O16,,,,,2711,bmse000128,1
6,covalent,SING,O16,H31,,,,,2711,bmse000128,1
7,covalent,SING,O15,C1,,,,,2711,bmse000128,1
8,covalent,SING,O15,H30,,,,,2711,bmse000128,1
9,covalent,DOUB,O18,C8,,,,,2711,bmse000128,1
10,covalent,DOUB,O19,C10,,,,,2711,bmse000128,1
11,covalent,SING,C9,N14,,,,,2711,bmse000128,1
12,covalent,SING,N14,C7,,,,,2711,bmse000128,1
13,covalent,SING,N14,C2,,,,,2711,bmse000128,1
14,covalent,SING,N12,C7,,,,,2711,bmse000128,1
15,covalent,SING,N12,C10,,,,,2711,bmse000128,1
16,covalent,SING,N12,H28,,,,,2711,bmse000128,1
17,covalent,DOUB,N11,C2,,,,,2711,bmse000128,1
18,covalent,SING,N11,C4,,,,,2711,bmse000128,1
19,covalent,SING,N13,C8,,,,,2711,bmse000128,1
20,covalent,SING,N13,C10,,,,,2711,bmse000128,1
21,covalent,SING,N13,H29,,,,,2711,bmse000128,1
22,covalent,SING,C9,C6,,,,,2711,bmse000128,1
23,covalent,SING,C9,H27,,,,,2711,bmse000128,1
24,covalent,SING,C6,C5,,,,,2711,bmse000128,1
25,covalent,SING,C6,H26,,,,,2711,bmse000128,1
26,covalent,SING,C5,C3,,,,,2711,bmse000128,1
27,covalent,SING,C5,H25,,,,,2711,bmse000128,1
28,covalent,SING,C3,C1,,,,,2711,bmse000128,1
29,covalent,SING,C3,H24,,,,,2711,bmse000128,1
30,covalent,SING,C1,H21,,,,,2711,bmse000128,1
31,covalent,SING,C1,H22,,,,,2711,bmse000128,1
32,covalent,DOUB,C7,C4,,,,,2711,bmse000128,1
33,covalent,SING,C2,H23,,,,,2711,bmse000128,1
34,covalent,SING,C4,C8,,,,,2711,bmse000128,1
1,covalent,SING,C1,C3,,,,,2732,bmse000129,1
2,covalent,SING,C1,O6,,,,,2732,bmse000129,1
3,covalent,SING,C1,H11,,,,,2732,bmse000129,1
4,covalent,SING,C1,H12,,,,,2732,bmse000129,1
5,covalent,SING,C3,C5,,,,,2732,bmse000129,1
6,covalent,SING,C3,O8,,,,,2732,bmse000129,1
7,covalent,SING,C3,H15,,,,,2732,bmse000129,1
8,covalent,SING,C5,C4,,,,,2732,bmse000129,1
9,covalent,SING,C5,O10,,,,,2732,bmse000129,1
10,covalent,SING,C5,H17,,,,,2732,bmse000129,1
11,covalent,SING,C4,C2,,,,,2732,bmse000129,1
12,covalent,SING,C4,O9,,,,,2732,bmse000129,1
13,covalent,SING,C4,H16,,,,,2732,bmse000129,1
14,covalent,SING,C2,O7,,,,,2732,bmse000129,1
15,covalent,SING,C2,H13,,,,,2732,bmse000129,1
16,covalent,SING,C2,H14,,,,,2732,bmse000129,1
17,covalent,SING,O6,H18,,,,,2732,bmse000129,1
18,covalent,SING,O8,H20,,,,,2732,bmse000129,1
19,covalent,SING,O10,H22,,,,,2732,bmse000129,1
20,covalent,SING,O9,H21,,,,,2732,bmse000129,1
21,covalent,SING,O7,H19,,,,,2732,bmse000129,1
1,covalent,SING,H18,C3,,,,,2755,bmse000130,1
2,covalent,SING,H13,C1,,,,,2755,bmse000130,1
3,covalent,SING,H14,C1,,,,,2755,bmse000130,1
4,covalent,SING,H15,C1,,,,,2755,bmse000130,1
5,covalent,SING,H16,C2,,,,,2755,bmse000130,1
6,covalent,SING,H17,C2,,,,,2755,bmse000130,1
7,covalent,SING,H19,C4,,,,,2755,bmse000130,1
8,covalent,SING,H20,C4,,,,,2755,bmse000130,1
9,covalent,SING,H21,N9,,,,,2755,bmse000130,1
10,covalent,SING,H22,N9,,,,,2755,bmse000130,1
11,covalent,SING,H24,O12,,,,,2755,bmse000130,1
12,covalent,SING,H23,O11,,,,,2755,bmse000130,1
13,covalent,DOUB,C3,C6,,,,,2755,bmse000130,1
14,covalent,SING,C3,N10,,,,,2755,bmse000130,1
15,covalent,SING,C6,C7,,,,,2755,bmse000130,1
16,covalent,SING,C6,C4,,,,,2755,bmse000130,1
17,covalent,DOUB,C7,C8,,,,,2755,bmse000130,1
18,covalent,SING,C7,C2,,,,,2755,bmse000130,1
19,covalent,SING,C8,C5,,,,,2755,bmse000130,1
20,covalent,SING,C8,O12,,,,,2755,bmse000130,1
21,covalent,SING,C5,C1,,,,,2755,bmse000130,1
22,covalent,DOUB,C5,N10,,,,,2755,bmse000130,1
23,covalent,SING,C2,N9,,,,,2755,bmse000130,1
24,covalent,SING,C4,O11,,,,,2755,bmse000130,1
1,covalent,SING,C1,C5,,,,,2777,bmse000131,1
2,covalent,SING,C1,H17,,,,,2777,bmse000131,1
3,covalent,SING,C1,H18,,,,,2777,bmse000131,1
4,covalent,SING,C1,H19,,,,,2777,bmse000131,1
5,covalent,DOUB,C3,C6,,,,,2777,bmse000131,1
6,covalent,SING,C3,N10,,,,,2777,bmse000131,1
7,covalent,SING,C3,H22,,,,,2777,bmse000131,1
8,covalent,SING,C2,C7,,,,,2777,bmse000131,1
9,covalent,SING,C2,N9,,,,,2777,bmse000131,1
10,covalent,SING,C2,H20,,,,,2777,bmse000131,1
11,covalent,SING,C2,H21,,,,,2777,bmse000131,1
12,covalent,SING,C4,C6,,,,,2777,bmse000131,1
13,covalent,SING,C4,O15,,,,,2777,bmse000131,1
14,covalent,SING,C4,H23,,,,,2777,bmse000131,1
15,covalent,SING,C4,H24,,,,,2777,bmse000131,1
16,covalent,SING,C5,C8,,,,,2777,bmse000131,1
17,covalent,DOUB,C5,N10,,,,,2777,bmse000131,1
18,covalent,SING,C6,C7,,,,,2777,bmse000131,1
19,covalent,DOUB,C7,C8,,,,,2777,bmse000131,1
20,covalent,SING,C8,O11,,,,,2777,bmse000131,1
21,covalent,SING,N9,H25,,,,,2777,bmse000131,1
22,covalent,SING,N9,H26,,,,,2777,bmse000131,1
23,covalent,SING,O11,H27,,,,,2777,bmse000131,1
24,covalent,SING,O12,P16,,,,,2777,bmse000131,1
25,covalent,SING,O12,H28,,,,,2777,bmse000131,1
26,covalent,SING,O13,P16,,,,,2777,bmse000131,1
27,covalent,SING,O13,H29,,,,,2777,bmse000131,1
28,covalent,DOUB,O14,P16,,,,,2777,bmse000131,1
29,covalent,SING,O15,P16,,,,,2777,bmse000131,1
1,covalent,SING,C1,O13,,,,,2799,bmse000132,1
2,covalent,SING,C1,H14,,,,,2799,bmse000132,1
3,covalent,SING,C1,H15,,,,,2799,bmse000132,1
4,covalent,SING,C1,H16,,,,,2799,bmse000132,1
5,covalent,DOUB,C2,C3,,,,,2799,bmse000132,1
6,covalent,SING,C2,C6,,,,,2799,bmse000132,1
7,covalent,SING,C2,H17,,,,,2799,bmse000132,1
8,covalent,SING,C3,C7,,,,,2799,bmse000132,1
9,covalent,SING,C3,H18,,,,,2799,bmse000132,1
10,covalent,DOUB,C4,C6,,,,,2799,bmse000132,1
11,covalent,SING,C4,C8,,,,,2799,bmse000132,1
12,covalent,SING,C4,H19,,,,,2799,bmse000132,1
13,covalent,SING,C5,C6,,,,,2799,bmse000132,1
14,covalent,SING,C5,C9,,,,,2799,bmse000132,1
15,covalent,SING,C5,H20,,,,,2799,bmse000132,1
16,covalent,SING,C5,H21,,,,,2799,bmse000132,1
17,covalent,DOUB,C7,C8,,,,,2799,bmse000132,1
18,covalent,SING,C7,O10,,,,,2799,bmse000132,1
19,covalent,SING,C8,O13,,,,,2799,bmse000132,1
20,covalent,SING,C9,O11,,,,,2799,bmse000132,1
21,covalent,DOUB,C9,O12,,,,,2799,bmse000132,1
22,covalent,SING,O10,H22,,,,,2799,bmse000132,1
23,covalent,SING,O11,H23,,,,,2799,bmse000132,1
1,covalent,DOUB,C1,C3,,,,,2821,bmse000133,1
2,covalent,SING,C1,C5,,,,,2821,bmse000133,1
3,covalent,SING,C1,H10,,,,,2821,bmse000133,1
4,covalent,SING,C2,C4,,,,,2821,bmse000133,1
5,covalent,DOUB,C2,C5,,,,,2821,bmse000133,1
6,covalent,SING,C2,H11,,,,,2821,bmse000133,1
7,covalent,SING,C3,N7,,,,,2821,bmse000133,1
8,covalent,SING,C3,H12,,,,,2821,bmse000133,1
9,covalent,DOUB,C4,N7,,,,,2821,bmse000133,1
10,covalent,SING,C4,H13,,,,,2821,bmse000133,1
11,covalent,SING,C5,C6,,,,,2821,bmse000133,1
12,covalent,SING,C6,O8,,,,,2821,bmse000133,1
13,covalent,DOUB,C6,O9,,,,,2821,bmse000133,1
14,covalent,SING,O8,H14,,,,,2821,bmse000133,1
1,covalent,SING,C1,C3,,,,,2843,bmse000134,1
2,covalent,SING,C1,H22,,,,,2843,bmse000134,1
3,covalent,SING,C1,H20,,,,,2843,bmse000134,1
4,covalent,SING,C1,H21,,,,,2843,bmse000134,1
5,covalent,DOUB,C2,C7,,,,,2843,bmse000134,1
6,covalent,SING,C2,H23,,,,,2843,bmse000134,1
7,covalent,SING,C2,H24,,,,,2843,bmse000134,1
8,covalent,DOUB,C4,C5,,,,,2843,bmse000134,1
9,covalent,SING,C4,C8,,,,,2843,bmse000134,1
10,covalent,SING,C4,H27,,,,,2843,bmse000134,1
11,covalent,SING,C5,C9,,,,,2843,bmse000134,1
12,covalent,SING,C5,H28,,,,,2843,bmse000134,1
13,covalent,SING,C3,C7,,,,,2843,bmse000134,1
14,covalent,SING,C3,H25,,,,,2843,bmse000134,1
15,covalent,SING,C3,H26,,,,,2843,bmse000134,1
16,covalent,SING,C6,C10,,,,,2843,bmse000134,1
17,covalent,SING,C6,O19,,,,,2843,bmse000134,1
18,covalent,SING,C6,H29,,,,,2843,bmse000134,1
19,covalent,SING,C6,H30,,,,,2843,bmse000134,1
20,covalent,DOUB,C8,C11,,,,,2843,bmse000134,1
21,covalent,SING,C8,C13,,,,,2843,bmse000134,1
22,covalent,DOUB,C9,C12,,,,,2843,bmse000134,1
23,covalent,SING,C9,O19,,,,,2843,bmse000134,1
24,covalent,SING,C11,C12,,,,,2843,bmse000134,1
25,covalent,SING,C11,Cl14,,,,,2843,bmse000134,1
26,covalent,SING,C12,Cl15,,,,,2843,bmse000134,1
27,covalent,SING,C7,C13,,,,,2843,bmse000134,1
28,covalent,SING,C10,O16,,,,,2843,bmse000134,1
29,covalent,DOUB,C10,O17,,,,,2843,bmse000134,1
30,covalent,DOUB,C13,O18,,,,,2843,bmse000134,1
31,covalent,SING,O16,H31,,,,,2843,bmse000134,1
1,covalent,DOUB,C1,N4,,,,,2865,bmse000135,1
2,covalent,SING,C1,N5,,,,,2865,bmse000135,1
3,covalent,SING,C1,O7,,,,,2865,bmse000135,1
4,covalent,SING,C2,N4,,,,,2865,bmse000135,1
5,covalent,DOUB,C2,N6,,,,,2865,bmse000135,1
6,covalent,SING,C2,O8,,,,,2865,bmse000135,1
7,covalent,DOUB,C3,N5,,,,,2865,bmse000135,1
8,covalent,SING,C3,N6,,,,,2865,bmse000135,1
9,covalent,SING,C3,O9,,,,,2865,bmse000135,1
10,covalent,SING,O7,H10,,,,,2865,bmse000135,1
11,covalent,SING,O8,H11,,,,,2865,bmse000135,1
12,covalent,SING,O9,H12,,,,,2865,bmse000135,1
1,covalent,SING,C3,C5,,,,,2883,bmse000137,1
2,covalent,SING,C3,C2,,,,,2883,bmse000137,1
3,covalent,DOUB,C3,C1,,,,,2883,bmse000137,1
4,covalent,DOUB,C5,O8,,,,,2883,bmse000137,1
5,covalent,SING,C5,O9,,,,,2883,bmse000137,1
6,covalent,SING,C4,C2,,,,,2883,bmse000137,1
7,covalent,DOUB,C4,O6,,,,,2883,bmse000137,1
8,covalent,SING,C4,O7,,,,,2883,bmse000137,1
9,covalent,SING,C2,H12,,,,,2883,bmse000137,1
10,covalent,SING,C2,H13,,,,,2883,bmse000137,1
11,covalent,SING,C1,H10,,,,,2883,bmse000137,1
12,covalent,SING,C1,H11,,,,,2883,bmse000137,1
13,covalent,SING,O9,H15,,,,,2883,bmse000137,1
14,covalent,SING,O7,H14,,,,,2883,bmse000137,1
1,covalent,SING,C10,C4,,,,,2904,bmse000138,1
2,covalent,SING,C10,O23,,,,,2904,bmse000138,1
3,covalent,SING,C10,C7,,,,,2904,bmse000138,1
4,covalent,SING,C10,H35,,,,,2904,bmse000138,1
5,covalent,SING,C4,O21,,,,,2904,bmse000138,1
6,covalent,SING,C4,C2,,,,,2904,bmse000138,1
7,covalent,SING,C4,H29,,,,,2904,bmse000138,1
8,covalent,SING,O23,C12,,,,,2904,bmse000138,1
9,covalent,SING,C7,C8,,,,,2904,bmse000138,1
10,covalent,SING,C7,O17,,,,,2904,bmse000138,1
11,covalent,SING,C7,H32,,,,,2904,bmse000138,1
12,covalent,SING,O21,C11,,,,,2904,bmse000138,1
13,covalent,SING,C2,O14,,,,,2904,bmse000138,1
14,covalent,SING,C2,H26,,,,,2904,bmse000138,1
15,covalent,SING,C2,H27,,,,,2904,bmse000138,1
16,covalent,SING,C12,O22,,,,,2904,bmse000138,1
17,covalent,SING,C12,C9,,,,,2904,bmse000138,1
18,covalent,SING,C12,H37,,,,,2904,bmse000138,1
19,covalent,SING,C8,C11,,,,,2904,bmse000138,1
20,covalent,SING,C8,O18,,,,,2904,bmse000138,1
21,covalent,SING,C8,H33,,,,,2904,bmse000138,1
22,covalent,SING,O17,H42,,,,,2904,bmse000138,1
23,covalent,SING,C11,O20,,,,,2904,bmse000138,1
24,covalent,SING,C11,H36,,,,,2904,bmse000138,1
25,covalent,SING,O14,H39,,,,,2904,bmse000138,1
26,covalent,SING,O22,C3,,,,,2904,bmse000138,1
27,covalent,SING,C9,C6,,,,,2904,bmse000138,1
28,covalent,SING,C9,O19,,,,,2904,bmse000138,1
29,covalent,SING,C9,H34,,,,,2904,bmse000138,1
30,covalent,SING,O18,H43,,,,,2904,bmse000138,1
31,covalent,SING,O20,H45,,,,,2904,bmse000138,1
32,covalent,SING,C3,C5,,,,,2904,bmse000138,1
33,covalent,SING,C3,C1,,,,,2904,bmse000138,1
34,covalent,SING,C3,H28,,,,,2904,bmse000138,1
35,covalent,SING,C6,C5,,,,,2904,bmse000138,1
36,covalent,SING,C6,O16,,,,,2904,bmse000138,1
37,covalent,SING,C6,H31,,,,,2904,bmse000138,1
38,covalent,SING,O19,H44,,,,,2904,bmse000138,1
39,covalent,SING,C5,O15,,,,,2904,bmse000138,1
40,covalent,SING,C5,H30,,,,,2904,bmse000138,1
41,covalent,SING,C1,O13,,,,,2904,bmse000138,1
42,covalent,SING,C1,H24,,,,,2904,bmse000138,1
43,covalent,SING,C1,H25,,,,,2904,bmse000138,1
44,covalent,SING,O16,H41,,,,,2904,bmse000138,1
45,covalent,SING,O15,H40,,,,,2904,bmse000138,1
46,covalent,SING,O13,H38,,,,,2904,bmse000138,1
1,covalent,DOUB,C1,C2,,,,,2928,bmse000139,1
2,covalent,SING,C1,C3,,,,,2928,bmse000139,1
3,covalent,SING,C1,H33,,,,,2928,bmse000139,1
4,covalent,SING,C2,C4,,,,,2928,bmse000139,1
5,covalent,SING,C2,H34,,,,,2928,bmse000139,1
6,covalent,DOUB,C3,C5,,,,,2928,bmse000139,1
7,covalent,SING,C3,H35,,,,,2928,bmse000139,1
8,covalent,DOUB,C4,C9,,,,,2928,bmse000139,1
9,covalent,SING,C4,H36,,,,,2928,bmse000139,1
10,covalent,SING,C5,C9,,,,,2928,bmse000139,1
11,covalent,SING,C5,H37,,,,,2928,bmse000139,1
12,covalent,SING,C11,C7,,,,,2928,bmse000139,1
13,covalent,SING,C7,O22,,,,,2928,bmse000139,1
14,covalent,SING,C7,H38,,,,,2928,bmse000139,1
15,covalent,SING,C7,H39,,,,,2928,bmse000139,1
16,covalent,SING,C12,C8,,,,,2928,bmse000139,1
17,covalent,SING,C8,O29,,,,,2928,bmse000139,1
18,covalent,SING,C8,H40,,,,,2928,bmse000139,1
19,covalent,SING,C8,H41,,,,,2928,bmse000139,1
20,covalent,SING,C6,C10,,,,,2928,bmse000139,1
21,covalent,TRIP,C6,N21,,,,,2928,bmse000139,1
22,covalent,SING,C10,C9,,,,,2928,bmse000139,1
23,covalent,SING,C11,C13,,,,,2928,bmse000139,1
24,covalent,SING,C11,O31,,,,,2928,bmse000139,1
25,covalent,SING,C11,H43,,,,,2928,bmse000139,1
26,covalent,SING,C12,C14,,,,,2928,bmse000139,1
27,covalent,SING,C12,O32,,,,,2928,bmse000139,1
28,covalent,SING,C12,H44,,,,,2928,bmse000139,1
29,covalent,SING,C13,C15,,,,,2928,bmse000139,1
30,covalent,SING,C13,O23,,,,,2928,bmse000139,1
31,covalent,SING,C13,H45,,,,,2928,bmse000139,1
32,covalent,SING,C14,C16,,,,,2928,bmse000139,1
33,covalent,SING,C14,O24,,,,,2928,bmse000139,1
34,covalent,SING,C14,H46,,,,,2928,bmse000139,1
35,covalent,SING,C15,C17,,,,,2928,bmse000139,1
36,covalent,SING,C15,O25,,,,,2928,bmse000139,1
37,covalent,SING,C15,H47,,,,,2928,bmse000139,1
38,covalent,SING,C16,C18,,,,,2928,bmse000139,1
39,covalent,SING,C16,O26,,,,,2928,bmse000139,1
40,covalent,SING,C16,H48,,,,,2928,bmse000139,1
41,covalent,SING,C17,C19,,,,,2928,bmse000139,1
42,covalent,SING,C17,O27,,,,,2928,bmse000139,1
43,covalent,SING,C17,H49,,,,,2928,bmse000139,1
44,covalent,SING,C18,C20,,,,,2928,bmse000139,1
45,covalent,SING,C18,O28,,,,,2928,bmse000139,1
46,covalent,SING,C18,H50,,,,,2928,bmse000139,1
47,covalent,SING,C19,O31,,,,,2928,bmse000139,1
48,covalent,SING,C19,O29,,,,,2928,bmse000139,1
49,covalent,SING,C19,H51,,,,,2928,bmse000139,1
50,covalent,SING,C20,O32,,,,,2928,bmse000139,1
51,covalent,SING,C20,O30,,,,,2928,bmse000139,1
52,covalent,SING,C20,H52,,,,,2928,bmse000139,1
53,covalent,SING,C10,O30,,,,,2928,bmse000139,1
54,covalent,SING,C10,H42,,,,,2928,bmse000139,1
55,covalent,SING,O22,H53,,,,,2928,bmse000139,1
56,covalent,SING,O23,H54,,,,,2928,bmse000139,1
57,covalent,SING,O24,H55,,,,,2928,bmse000139,1
58,covalent,SING,O25,H56,,,,,2928,bmse000139,1
59,covalent,SING,O26,H57,,,,,2928,bmse000139,1
60,covalent,SING,O27,H58,,,,,2928,bmse000139,1
61,covalent,SING,O28,H59,,,,,2928,bmse000139,1
1,covalent,SING,C1,C3,,,,,2950,bmse000140,1
2,covalent,SING,C1,C2,,,,,2950,bmse000140,1
3,covalent,SING,C1,O7,,,,,2950,bmse000140,1
4,covalent,SING,C1,H14,,,,,2950,bmse000140,1
5,covalent,SING,C3,C6,,,,,2950,bmse000140,1
6,covalent,SING,C3,O9,,,,,2950,bmse000140,1
7,covalent,SING,C3,H16,,,,,2950,bmse000140,1
8,covalent,SING,C6,O13,,,,,2950,bmse000140,1
9,covalent,SING,C6,O12,,,,,2950,bmse000140,1
10,covalent,SING,C6,H18,,,,,2950,bmse000140,1
11,covalent,SING,O13,C4,,,,,2950,bmse000140,1
12,covalent,SING,C4,C2,,,,,2950,bmse000140,1
13,covalent,SING,C4,C5,,,,,2950,bmse000140,1
14,covalent,SING,C4,H17,,,,,2950,bmse000140,1
15,covalent,SING,C2,O8,,,,,2950,bmse000140,1
16,covalent,SING,C2,H15,,,,,2950,bmse000140,1
17,covalent,SING,C5,O10,,,,,2950,bmse000140,1
18,covalent,DOUB,C5,O11,,,,,2950,bmse000140,1
19,covalent,SING,O10,H22,,,,,2950,bmse000140,1
20,covalent,SING,O7,H19,,,,,2950,bmse000140,1
21,covalent,SING,O8,H20,,,,,2950,bmse000140,1
22,covalent,SING,O9,H21,,,,,2950,bmse000140,1
23,covalent,SING,O12,H23,,,,,2950,bmse000140,1
1,covalent,SING,C5,C3,,,,,2972,bmse000141,1
2,covalent,SING,C5,O12,,,,,2972,bmse000141,1
3,covalent,SING,C5,C2,,,,,2972,bmse000141,1
4,covalent,SING,C5,H18,,,,,2972,bmse000141,1
5,covalent,SING,C3,C4,,,,,2972,bmse000141,1
6,covalent,SING,C3,O9,,,,,2972,bmse000141,1
7,covalent,SING,C3,H16,,,,,2972,bmse000141,1
8,covalent,SING,O12,C6,,,,,2972,bmse000141,1
9,covalent,SING,C2,C1,,,,,2972,bmse000141,1
10,covalent,SING,C2,O8,,,,,2972,bmse000141,1
11,covalent,SING,C2,H15,,,,,2972,bmse000141,1
12,covalent,SING,C4,C6,,,,,2972,bmse000141,1
13,covalent,SING,C4,O10,,,,,2972,bmse000141,1
14,covalent,SING,C4,H17,,,,,2972,bmse000141,1
15,covalent,SING,O9,H21,,,,,2972,bmse000141,1
16,covalent,DOUB,C6,O11,,,,,2972,bmse000141,1
17,covalent,SING,C1,O7,,,,,2972,bmse000141,1
18,covalent,SING,C1,H13,,,,,2972,bmse000141,1
19,covalent,SING,C1,H14,,,,,2972,bmse000141,1
20,covalent,SING,O8,H20,,,,,2972,bmse000141,1
21,covalent,SING,O10,H22,,,,,2972,bmse000141,1
22,covalent,SING,O7,H19,,,,,2972,bmse000141,1
1,covalent,SING,C6,C8,,,,,2994,bmse000142,1
2,covalent,SING,C6,N10,,,,,2994,bmse000142,1
3,covalent,SING,C6,H29,,,,,2994,bmse000142,1
4,covalent,SING,C6,H30,,,,,2994,bmse000142,1
5,covalent,SING,C8,C5,,,,,2994,bmse000142,1
6,covalent,SING,C8,O14,,,,,2994,bmse000142,1
7,covalent,SING,C8,H31,,,,,2994,bmse000142,1
8,covalent,SING,C5,C9,,,,,2994,bmse000142,1
9,covalent,SING,C5,H27,,,,,2994,bmse000142,1
10,covalent,SING,C5,H28,,,,,2994,bmse000142,1
11,covalent,SING,C9,O12,,,,,2994,bmse000142,1
12,covalent,DOUB,C9,O13,,,,,2994,bmse000142,1
13,covalent,SING,O14,C7,,,,,2994,bmse000142,1
14,covalent,SING,C7,C1,,,,,2994,bmse000142,1
15,covalent,DOUB,C7,O11,,,,,2994,bmse000142,1
16,covalent,SING,C1,H15,,,,,2994,bmse000142,1
17,covalent,SING,C1,H16,,,,,2994,bmse000142,1
18,covalent,SING,C1,H17,,,,,2994,bmse000142,1
19,covalent,SING,N10,C2,,,,,2994,bmse000142,1
20,covalent,SING,N10,C3,,,,,2994,bmse000142,1
21,covalent,SING,N10,C4,,,,,2994,bmse000142,1
22,covalent,SING,C2,H18,,,,,2994,bmse000142,1
23,covalent,SING,C2,H19,,,,,2994,bmse000142,1
24,covalent,SING,C2,H20,,,,,2994,bmse000142,1
25,covalent,SING,C3,H22,,,,,2994,bmse000142,1
26,covalent,SING,C3,H23,,,,,2994,bmse000142,1
27,covalent,SING,C3,H21,,,,,2994,bmse000142,1
28,covalent,SING,C4,H26,,,,,2994,bmse000142,1
29,covalent,SING,C4,H25,,,,,2994,bmse000142,1
30,covalent,SING,C4,H24,,,,,2994,bmse000142,1
1,covalent,SING,C1,C5,,,,,3016,bmse000143,1
2,covalent,SING,C1,H13,,,,,3016,bmse000143,1
3,covalent,SING,C1,H15,,,,,3016,bmse000143,1
4,covalent,SING,C1,H14,,,,,3016,bmse000143,1
5,covalent,DOUB,C2,C3,,,,,3016,bmse000143,1
6,covalent,SING,C2,C6,,,,,3016,bmse000143,1
7,covalent,SING,C2,H16,,,,,3016,bmse000143,1
8,covalent,SING,C3,C7,,,,,3016,bmse000143,1
9,covalent,SING,C3,H17,,,,,3016,bmse000143,1
10,covalent,DOUB,C4,C6,,,,,3016,bmse000143,1
11,covalent,SING,C4,C8,,,,,3016,bmse000143,1
12,covalent,SING,C4,H18,,,,,3016,bmse000143,1
13,covalent,SING,C6,N11,,,,,3016,bmse000143,1
14,covalent,DOUB,C7,C8,,,,,3016,bmse000143,1
15,covalent,SING,C7,Cl9,,,,,3016,bmse000143,1
16,covalent,SING,C8,N10,,,,,3016,bmse000143,1
17,covalent,SING,C5,N11,,,,,3016,bmse000143,1
18,covalent,DOUB,C5,O12,,,,,3016,bmse000143,1
19,covalent,SING,N10,H19,,,,,3016,bmse000143,1
20,covalent,SING,N10,H20,,,,,3016,bmse000143,1
21,covalent,SING,N11,H21,,,,,3016,bmse000143,1
1,covalent,SING,C1,O4,,,,,3037,bmse000144,1
2,covalent,SING,C1,C3,,,,,3037,bmse000144,1
3,covalent,SING,C1,H7,,,,,3037,bmse000144,1
4,covalent,SING,C1,H8,,,,,3037,bmse000144,1
5,covalent,SING,O4,H11,,,,,3037,bmse000144,1
6,covalent,DOUB,C3,O6,,,,,3037,bmse000144,1
7,covalent,SING,C3,C2,,,,,3037,bmse000144,1
8,covalent,SING,C2,O5,,,,,3037,bmse000144,1
9,covalent,SING,C2,H9,,,,,3037,bmse000144,1
10,covalent,SING,C2,H10,,,,,3037,bmse000144,1
11,covalent,SING,O5,H12,,,,,3037,bmse000144,1
1,covalent,SING,C1,C4,,,,,3058,bmse000145,1
2,covalent,SING,C1,H16,,,,,3058,bmse000145,1
3,covalent,SING,C1,H14,,,,,3058,bmse000145,1
4,covalent,SING,C1,H15,,,,,3058,bmse000145,1
5,covalent,DOUB,C4,O10,,,,,3058,bmse000145,1
6,covalent,SING,C4,N9,,,,,3058,bmse000145,1
7,covalent,SING,N9,C5,,,,,3058,bmse000145,1
8,covalent,SING,N9,H24,,,,,3058,bmse000145,1
9,covalent,SING,C5,C2,,,,,3058,bmse000145,1
10,covalent,SING,C5,C7,,,,,3058,bmse000145,1
11,covalent,SING,C5,H21,,,,,3058,bmse000145,1
12,covalent,SING,C2,C3,,,,,3058,bmse000145,1
13,covalent,SING,C2,H17,,,,,3058,bmse000145,1
14,covalent,SING,C2,H18,,,,,3058,bmse000145,1
15,covalent,SING,C3,C6,,,,,3058,bmse000145,1
16,covalent,SING,C3,H19,,,,,3058,bmse000145,1
17,covalent,SING,C3,H20,,,,,3058,bmse000145,1
18,covalent,DOUB,C6,O11,,,,,3058,bmse000145,1
19,covalent,SING,C6,N8,,,,,3058,bmse000145,1
20,covalent,SING,N8,H22,,,,,3058,bmse000145,1
21,covalent,SING,N8,H23,,,,,3058,bmse000145,1
22,covalent,DOUB,C7,O12,,,,,3058,bmse000145,1
23,covalent,SING,C7,O13,,,,,3058,bmse000145,1
24,covalent,SING,O13,H25,,,,,3058,bmse000145,1
1,covalent,SING,N8,C2,,,,,3083,bmse000146,1
2,covalent,SING,N8,C3,,,,,3083,bmse000146,1
3,covalent,SING,N8,C1,,,,,3083,bmse000146,1
4,covalent,SING,C2,C5,,,,,3083,bmse000146,1
5,covalent,SING,C2,H16,,,,,3083,bmse000146,1
6,covalent,SING,C2,H17,,,,,3083,bmse000146,1
7,covalent,DOUB,C5,O10,,,,,3083,bmse000146,1
8,covalent,SING,C5,O11,,,,,3083,bmse000146,1
9,covalent,SING,O11,H22,,,,,3083,bmse000146,1
10,covalent,SING,C3,C6,,,,,3083,bmse000146,1
11,covalent,SING,C3,H18,,,,,3083,bmse000146,1
12,covalent,SING,C3,H19,,,,,3083,bmse000146,1
13,covalent,DOUB,C6,O12,,,,,3083,bmse000146,1
14,covalent,SING,C6,O13,,,,,3083,bmse000146,1
15,covalent,SING,O13,H23,,,,,3083,bmse000146,1
16,covalent,SING,C1,C4,,,,,3083,bmse000146,1
17,covalent,SING,C1,H14,,,,,3083,bmse000146,1
18,covalent,SING,C1,H15,,,,,3083,bmse000146,1
19,covalent,DOUB,C4,O9,,,,,3083,bmse000146,1
20,covalent,SING,C4,N7,,,,,3083,bmse000146,1
21,covalent,SING,N7,H20,,,,,3083,bmse000146,1
22,covalent,SING,N7,H21,,,,,3083,bmse000146,1
1,covalent,SING,H22,C3,,,,,3103,bmse000147,1
2,covalent,SING,H23,C4,,,,,3103,bmse000147,1
3,covalent,SING,H24,C5,,,,,3103,bmse000147,1
4,covalent,SING,H25,C6,,,,,3103,bmse000147,1
5,covalent,SING,H26,C7,,,,,3103,bmse000147,1
6,covalent,SING,H16,C1,,,,,3103,bmse000147,1
7,covalent,SING,H18,C1,,,,,3103,bmse000147,1
8,covalent,SING,H17,C1,,,,,3103,bmse000147,1
9,covalent,SING,H21,C2,,,,,3103,bmse000147,1
10,covalent,SING,H20,C2,,,,,3103,bmse000147,1
11,covalent,SING,H19,C2,,,,,3103,bmse000147,1
12,covalent,SING,H27,N12,,,,,3103,bmse000147,1
13,covalent,SING,H28,N12,,,,,3103,bmse000147,1
14,covalent,DOUB,C3,C4,,,,,3103,bmse000147,1
15,covalent,SING,C3,C5,,,,,3103,bmse000147,1
16,covalent,SING,C4,C6,,,,,3103,bmse000147,1
17,covalent,DOUB,C5,C7,,,,,3103,bmse000147,1
18,covalent,DOUB,C6,C9,,,,,3103,bmse000147,1
19,covalent,SING,C7,C9,,,,,3103,bmse000147,1
20,covalent,SING,C9,N14,,,,,3103,bmse000147,1
21,covalent,DOUB,C10,C8,,,,,3103,bmse000147,1
22,covalent,SING,C10,C11,,,,,3103,bmse000147,1
23,covalent,SING,C10,N12,,,,,3103,bmse000147,1
24,covalent,SING,C8,C1,,,,,3103,bmse000147,1
25,covalent,SING,C8,N13,,,,,3103,bmse000147,1
26,covalent,SING,C11,N14,,,,,3103,bmse000147,1
27,covalent,DOUB,C11,O15,,,,,3103,bmse000147,1
28,covalent,SING,C2,N13,,,,,3103,bmse000147,1
29,covalent,SING,N14,N13,,,,,3103,bmse000147,1
1,covalent,SING,C1,C3,,,,,3124,bmse000148,1
2,covalent,SING,C1,H14,,,,,3124,bmse000148,1
3,covalent,SING,C1,H16,,,,,3124,bmse000148,1
4,covalent,SING,C1,H15,,,,,3124,bmse000148,1
5,covalent,SING,C3,O12,,,,,3124,bmse000148,1
6,covalent,SING,C3,H20,,,,,3124,bmse000148,1
7,covalent,SING,C3,H21,,,,,3124,bmse000148,1
8,covalent,SING,O12,C7,,,,,3124,bmse000148,1
9,covalent,DOUB,C7,O10,,,,,3124,bmse000148,1
10,covalent,SING,C7,C5,,,,,3124,bmse000148,1
11,covalent,SING,C5,C6,,,,,3124,bmse000148,1
12,covalent,SING,C5,H24,,,,,3124,bmse000148,1
13,covalent,SING,C5,H25,,,,,3124,bmse000148,1
14,covalent,DOUB,C6,O9,,,,,3124,bmse000148,1
15,covalent,SING,C6,C8,,,,,3124,bmse000148,1
16,covalent,DOUB,C8,O11,,,,,3124,bmse000148,1
17,covalent,SING,C8,O13,,,,,3124,bmse000148,1
18,covalent,SING,O13,C4,,,,,3124,bmse000148,1
19,covalent,SING,C4,C2,,,,,3124,bmse000148,1
20,covalent,SING,C4,H22,,,,,3124,bmse000148,1
21,covalent,SING,C4,H23,,,,,3124,bmse000148,1
22,covalent,SING,C2,H19,,,,,3124,bmse000148,1
23,covalent,SING,C2,H17,,,,,3124,bmse000148,1
24,covalent,SING,C2,H18,,,,,3124,bmse000148,1
1,covalent,DOUB,C1,C4,,,,,3144,bmse000150,1
2,covalent,SING,C1,C7,,,,,3144,bmse000150,1
3,covalent,SING,C1,H13,,,,,3144,bmse000150,1
4,covalent,SING,C2,C5,,,,,3144,bmse000150,1
5,covalent,DOUB,C2,C7,,,,,3144,bmse000150,1
6,covalent,SING,C2,H14,,,,,3144,bmse000150,1
7,covalent,SING,C4,C8,,,,,3144,bmse000150,1
8,covalent,SING,C4,H16,,,,,3144,bmse000150,1
9,covalent,DOUB,C5,C8,,,,,3144,bmse000150,1
10,covalent,SING,C5,H17,,,,,3144,bmse000150,1
11,covalent,DOUB,C3,C6,,,,,3144,bmse000150,1
12,covalent,SING,C3,C7,,,,,3144,bmse000150,1
13,covalent,SING,C3,H15,,,,,3144,bmse000150,1
14,covalent,SING,C6,C9,,,,,3144,bmse000150,1
15,covalent,SING,C6,H18,,,,,3144,bmse000150,1
16,covalent,SING,C8,O10,,,,,3144,bmse000150,1
17,covalent,SING,C9,O11,,,,,3144,bmse000150,1
18,covalent,DOUB,C9,O12,,,,,3144,bmse000150,1
19,covalent,SING,O10,H19,,,,,3144,bmse000150,1
20,covalent,SING,O11,H20,,,,,3144,bmse000150,1
1,covalent,SING,C6,C5,,,,,3165,bmse000151,1
2,covalent,SING,C6,O15,,,,,3165,bmse000151,1
3,covalent,SING,C6,O14,,,,,3165,bmse000151,1
4,covalent,SING,C6,H23,,,,,3165,bmse000151,1
5,covalent,SING,C5,C4,,,,,3165,bmse000151,1
6,covalent,SING,C5,O10,,,,,3165,bmse000151,1
7,covalent,SING,C5,H22,,,,,3165,bmse000151,1
8,covalent,SING,C4,C3,,,,,3165,bmse000151,1
9,covalent,SING,C4,O9,,,,,3165,bmse000151,1
10,covalent,SING,C4,H21,,,,,3165,bmse000151,1
11,covalent,SING,C3,C2,,,,,3165,bmse000151,1
12,covalent,SING,C3,O8,,,,,3165,bmse000151,1
13,covalent,SING,C3,H20,,,,,3165,bmse000151,1
14,covalent,SING,C2,C1,,,,,3165,bmse000151,1
15,covalent,SING,C2,O14,,,,,3165,bmse000151,1
16,covalent,SING,C2,H19,,,,,3165,bmse000151,1
17,covalent,SING,C1,O7,,,,,3165,bmse000151,1
18,covalent,SING,C1,H17,,,,,3165,bmse000151,1
19,covalent,SING,C1,H18,,,,,3165,bmse000151,1
20,covalent,SING,O15,P16,,,,,3165,bmse000151,1
21,covalent,SING,O10,H27,,,,,3165,bmse000151,1
22,covalent,SING,O9,H26,,,,,3165,bmse000151,1
23,covalent,SING,O8,H25,,,,,3165,bmse000151,1
24,covalent,SING,O7,H24,,,,,3165,bmse000151,1
25,covalent,DOUB,P16,O11,,,,,3165,bmse000151,1
26,covalent,SING,P16,O12,,,,,3165,bmse000151,1
27,covalent,SING,P16,O13,,,,,3165,bmse000151,1
28,covalent,SING,O12,H28,,,,,3165,bmse000151,1
29,covalent,SING,O13,H29,,,,,3165,bmse000151,1
1,covalent,SING,H14,C2,,,,,3187,bmse000152,1
2,covalent,SING,H15,C3,,,,,3187,bmse000152,1
3,covalent,SING,H16,C4,,,,,3187,bmse000152,1
4,covalent,SING,H17,C5,,,,,3187,bmse000152,1
5,covalent,SING,H12,C1,,,,,3187,bmse000152,1
6,covalent,SING,H13,C1,,,,,3187,bmse000152,1
7,covalent,SING,H11,C1,,,,,3187,bmse000152,1
8,covalent,DOUB,C2,C3,,,,,3187,bmse000152,1
9,covalent,SING,C2,C4,,,,,3187,bmse000152,1
10,covalent,SING,C3,C6,,,,,3187,bmse000152,1
11,covalent,DOUB,C4,N8,,,,,3187,bmse000152,1
12,covalent,DOUB,C5,C6,,,,,3187,bmse000152,1
13,covalent,SING,C5,N8,,,,,3187,bmse000152,1
14,covalent,SING,C6,C7,,,,,3187,bmse000152,1
15,covalent,SING,C7,O9,,,,,3187,bmse000152,1
16,covalent,DOUB,C7,O10,,,,,3187,bmse000152,1
17,covalent,SING,C1,N8,,,,,3187,bmse000152,1
18,covalent,SING,O9,H18,,,,,3187,bmse000152,1
1,covalent,SING,C1,S10,,,,,3209,bmse000153,1
2,covalent,SING,C1,H12,,,,,3209,bmse000153,1
3,covalent,SING,C1,H13,,,,,3209,bmse000153,1
4,covalent,SING,C1,H11,,,,,3209,bmse000153,1
5,covalent,SING,S10,C2,,,,,3209,bmse000153,1
6,covalent,SING,S10,C4,,,,,3209,bmse000153,1
7,covalent,SING,C2,H16,,,,,3209,bmse000153,1
8,covalent,SING,C2,H15,,,,,3209,bmse000153,1
9,covalent,SING,C2,H14,,,,,3209,bmse000153,1
10,covalent,SING,C4,C3,,,,,3209,bmse000153,1
11,covalent,SING,C4,H19,,,,,3209,bmse000153,1
12,covalent,SING,C4,H20,,,,,3209,bmse000153,1
13,covalent,SING,C3,C5,,,,,3209,bmse000153,1
14,covalent,SING,C3,H17,,,,,3209,bmse000153,1
15,covalent,SING,C3,H18,,,,,3209,bmse000153,1
16,covalent,SING,C5,N7,,,,,3209,bmse000153,1
17,covalent,SING,C5,C6,,,,,3209,bmse000153,1
18,covalent,SING,C5,H21,,,,,3209,bmse000153,1
19,covalent,SING,N7,H22,,,,,3209,bmse000153,1
20,covalent,SING,N7,H23,,,,,3209,bmse000153,1
21,covalent,SING,C6,O8,,,,,3209,bmse000153,1
22,covalent,DOUB,C6,O9,,,,,3209,bmse000153,1
23,covalent,SING,O8,H24,,,,,3209,bmse000153,1
1,covalent,SING,O9,C5,,,,,3231,bmse000154,1
2,covalent,SING,O9,C6,,,,,3231,bmse000154,1
3,covalent,SING,N7,C1,,,,,3231,bmse000154,1
4,covalent,SING,N7,H22,,,,,3231,bmse000154,1
5,covalent,SING,N7,H23,,,,,3231,bmse000154,1
6,covalent,SING,N8,C2,,,,,3231,bmse000154,1
7,covalent,SING,N8,C3,,,,,3231,bmse000154,1
8,covalent,SING,N8,C4,,,,,3231,bmse000154,1
9,covalent,SING,C1,C2,,,,,3231,bmse000154,1
10,covalent,SING,C1,H10,,,,,3231,bmse000154,1
11,covalent,SING,C1,H11,,,,,3231,bmse000154,1
12,covalent,SING,C2,H12,,,,,3231,bmse000154,1
13,covalent,SING,C2,H13,,,,,3231,bmse000154,1
14,covalent,SING,C5,C3,,,,,3231,bmse000154,1
15,covalent,SING,C5,H18,,,,,3231,bmse000154,1
16,covalent,SING,C5,H19,,,,,3231,bmse000154,1
17,covalent,SING,C6,C4,,,,,3231,bmse000154,1
18,covalent,SING,C6,H20,,,,,3231,bmse000154,1
19,covalent,SING,C6,H21,,,,,3231,bmse000154,1
20,covalent,SING,C3,H14,,,,,3231,bmse000154,1
21,covalent,SING,C3,H15,,,,,3231,bmse000154,1
22,covalent,SING,C4,H16,,,,,3231,bmse000154,1
23,covalent,SING,C4,H17,,,,,3231,bmse000154,1
1,covalent,SING,C1,N7,,,,,3252,bmse000155,1
2,covalent,SING,C1,H9,,,,,3252,bmse000155,1
3,covalent,SING,C1,H11,,,,,3252,bmse000155,1
4,covalent,SING,C1,H10,,,,,3252,bmse000155,1
5,covalent,SING,C2,C3,,,,,3252,bmse000155,1
6,covalent,SING,C2,N7,,,,,3252,bmse000155,1
7,covalent,SING,C2,H12,,,,,3252,bmse000155,1
8,covalent,SING,C2,H13,,,,,3252,bmse000155,1
9,covalent,SING,C3,N6,,,,,3252,bmse000155,1
10,covalent,DOUB,C3,O8,,,,,3252,bmse000155,1
11,covalent,SING,C4,N5,,,,,3252,bmse000155,1
12,covalent,DOUB,C4,N6,,,,,3252,bmse000155,1
13,covalent,SING,C4,N7,,,,,3252,bmse000155,1
14,covalent,SING,N5,H14,,,,,3252,bmse000155,1
15,covalent,SING,N5,H15,,,,,3252,bmse000155,1
1,covalent,SING,C1,O8,,,,,3276,bmse000156,1
2,covalent,SING,C1,H13,,,,,3276,bmse000156,1
3,covalent,SING,C1,H14,,,,,3276,bmse000156,1
4,covalent,SING,C1,H12,,,,,3276,bmse000156,1
5,covalent,SING,O8,C5,,,,,3276,bmse000156,1
6,covalent,DOUB,C5,O6,,,,,3276,bmse000156,1
7,covalent,SING,C5,C4,,,,,3276,bmse000156,1
8,covalent,SING,C4,P11,,,,,3276,bmse000156,1
9,covalent,SING,C4,H21,,,,,3276,bmse000156,1
10,covalent,SING,C4,H22,,,,,3276,bmse000156,1
11,covalent,DOUB,P11,O7,,,,,3276,bmse000156,1
12,covalent,SING,P11,O9,,,,,3276,bmse000156,1
13,covalent,SING,P11,O10,,,,,3276,bmse000156,1
14,covalent,SING,O9,C2,,,,,3276,bmse000156,1
15,covalent,SING,C2,H17,,,,,3276,bmse000156,1
16,covalent,SING,C2,H16,,,,,3276,bmse000156,1
17,covalent,SING,C2,H15,,,,,3276,bmse000156,1
18,covalent,SING,O10,C3,,,,,3276,bmse000156,1
19,covalent,SING,C3,H18,,,,,3276,bmse000156,1
20,covalent,SING,C3,H20,,,,,3276,bmse000156,1
21,covalent,SING,C3,H19,,,,,3276,bmse000156,1
1,covalent,SING,C1,C3,,,,,3297,bmse000157,1
2,covalent,SING,C1,H11,,,,,3297,bmse000157,1
3,covalent,SING,C1,H10,,,,,3297,bmse000157,1
4,covalent,SING,C1,H12,,,,,3297,bmse000157,1
5,covalent,SING,C3,C5,,,,,3297,bmse000157,1
6,covalent,SING,C3,N6,,,,,3297,bmse000157,1
7,covalent,SING,C3,H16,,,,,3297,bmse000157,1
8,covalent,DOUB,C5,O8,,,,,3297,bmse000157,1
9,covalent,SING,C5,O9,,,,,3297,bmse000157,1
10,covalent,SING,O9,H18,,,,,3297,bmse000157,1
11,covalent,SING,N6,C4,,,,,3297,bmse000157,1
12,covalent,SING,N6,H17,,,,,3297,bmse000157,1
13,covalent,DOUB,C4,O7,,,,,3297,bmse000157,1
14,covalent,SING,C4,C2,,,,,3297,bmse000157,1
15,covalent,SING,C2,H13,,,,,3297,bmse000157,1
16,covalent,SING,C2,H14,,,,,3297,bmse000157,1
17,covalent,SING,C2,H15,,,,,3297,bmse000157,1
1,covalent,SING,H18,C1,,,,,3319,bmse000158,1
2,covalent,SING,H19,C2,,,,,3319,bmse000158,1
3,covalent,SING,H23,C6,,,,,3319,bmse000158,1
4,covalent,SING,H24,C7,,,,,3319,bmse000158,1
5,covalent,SING,H22,C4,,,,,3319,bmse000158,1
6,covalent,SING,H25,C8,,,,,3319,bmse000158,1
7,covalent,SING,H20,C3,,,,,3319,bmse000158,1
8,covalent,SING,H21,C3,,,,,3319,bmse000158,1
9,covalent,SING,H26,N10,,,,,3319,bmse000158,1
10,covalent,SING,H28,O14,,,,,3319,bmse000158,1
11,covalent,SING,H29,O15,,,,,3319,bmse000158,1
12,covalent,SING,H27,O12,,,,,3319,bmse000158,1
13,covalent,DOUB,C1,C2,,,,,3319,bmse000158,1
14,covalent,SING,C1,C5,,,,,3319,bmse000158,1
15,covalent,SING,C2,N11,,,,,3319,bmse000158,1
16,covalent,SING,C5,N10,,,,,3319,bmse000158,1
17,covalent,DOUB,C5,O13,,,,,3319,bmse000158,1
18,covalent,SING,C9,N10,,,,,3319,bmse000158,1
19,covalent,SING,C9,N11,,,,,3319,bmse000158,1
20,covalent,DOUB,C9,O16,,,,,3319,bmse000158,1
21,covalent,SING,C6,C7,,,,,3319,bmse000158,1
22,covalent,SING,C6,C4,,,,,3319,bmse000158,1
23,covalent,SING,C6,O14,,,,,3319,bmse000158,1
24,covalent,SING,C7,C8,,,,,3319,bmse000158,1
25,covalent,SING,C7,O15,,,,,3319,bmse000158,1
26,covalent,SING,C4,C3,,,,,3319,bmse000158,1
27,covalent,SING,C4,O17,,,,,3319,bmse000158,1
28,covalent,SING,C8,N11,,,,,3319,bmse000158,1
29,covalent,SING,C8,O17,,,,,3319,bmse000158,1
30,covalent,SING,C3,O12,,,,,3319,bmse000158,1
1,covalent,SING,C3,C1,,,,,3342,bmse000159,1
2,covalent,DOUB,C3,O5,,,,,3342,bmse000159,1
3,covalent,SING,C3,O6,,,,,3342,bmse000159,1
4,covalent,SING,C1,C2,,,,,3342,bmse000159,1
5,covalent,SING,C1,H7,,,,,3342,bmse000159,1
6,covalent,SING,C1,H8,,,,,3342,bmse000159,1
7,covalent,SING,O6,H13,,,,,3342,bmse000159,1
8,covalent,SING,N4,C2,,,,,3342,bmse000159,1
9,covalent,SING,N4,H11,,,,,3342,bmse000159,1
10,covalent,SING,N4,H12,,,,,3342,bmse000159,1
11,covalent,SING,C2,H9,,,,,3342,bmse000159,1
12,covalent,SING,C2,H10,,,,,3342,bmse000159,1
1,covalent,DOUB,C3,O5,,,,,3366,bmse000160,1
2,covalent,SING,C3,O6,,,,,3366,bmse000160,1
3,covalent,SING,C3,C2,,,,,3366,bmse000160,1
4,covalent,SING,O6,H13,,,,,3366,bmse000160,1
5,covalent,SING,N4,C2,,,,,3366,bmse000160,1
6,covalent,SING,N4,C1,,,,,3366,bmse000160,1
7,covalent,SING,N4,H12,,,,,3366,bmse000160,1
8,covalent,SING,C2,H10,,,,,3366,bmse000160,1
9,covalent,SING,C2,H11,,,,,3366,bmse000160,1
10,covalent,SING,C1,H7,,,,,3366,bmse000160,1
11,covalent,SING,C1,H9,,,,,3366,bmse000160,1
12,covalent,SING,C1,H8,,,,,3366,bmse000160,1
1,covalent,SING,C3,C2,,,,,3387,bmse000161,1
2,covalent,SING,C3,C1,,,,,3387,bmse000161,1
3,covalent,SING,C3,O5,,,,,3387,bmse000161,1
4,covalent,SING,C3,H13,,,,,3387,bmse000161,1
5,covalent,SING,C2,C4,,,,,3387,bmse000161,1
6,covalent,SING,C2,H11,,,,,3387,bmse000161,1
7,covalent,SING,C2,H12,,,,,3387,bmse000161,1
8,covalent,SING,C4,O6,,,,,3387,bmse000161,1
9,covalent,DOUB,C4,O7,,,,,3387,bmse000161,1
10,covalent,SING,O6,H15,,,,,3387,bmse000161,1
11,covalent,SING,C1,H10,,,,,3387,bmse000161,1
12,covalent,SING,C1,H8,,,,,3387,bmse000161,1
13,covalent,SING,C1,H9,,,,,3387,bmse000161,1
14,covalent,SING,O5,H14,,,,,3387,bmse000161,1
1,covalent,SING,C4,N7,,,,,3412,bmse000162,1
2,covalent,SING,N7,H19,,,,,3412,bmse000162,1
3,covalent,SING,N7,H20,,,,,3412,bmse000162,1
4,covalent,SING,C4,C2,,,,,3412,bmse000162,1
5,covalent,SING,C4,C5,,,,,3412,bmse000162,1
6,covalent,SING,C4,H16,,,,,3412,bmse000162,1
7,covalent,SING,C2,C1,,,,,3412,bmse000162,1
8,covalent,SING,C2,H12,,,,,3412,bmse000162,1
9,covalent,SING,C2,H13,,,,,3412,bmse000162,1
10,covalent,SING,C1,C3,,,,,3412,bmse000162,1
11,covalent,SING,C1,H10,,,,,3412,bmse000162,1
12,covalent,SING,C1,H11,,,,,3412,bmse000162,1
13,covalent,SING,C3,N6,,,,,3412,bmse000162,1
14,covalent,SING,C3,H14,,,,,3412,bmse000162,1
15,covalent,SING,C3,H15,,,,,3412,bmse000162,1
16,covalent,SING,N6,H17,,,,,3412,bmse000162,1
17,covalent,SING,N6,H18,,,,,3412,bmse000162,1
18,covalent,DOUB,C5,O8,,,,,3412,bmse000162,1
19,covalent,SING,C5,O9,,,,,3412,bmse000162,1
20,covalent,SING,O9,H21,,,,,3412,bmse000162,1
1,covalent,SING,C5,C8,,,,,3433,bmse000163,1
2,covalent,SING,C5,C7,,,,,3433,bmse000163,1
3,covalent,SING,C5,N9,,,,,3433,bmse000163,1
4,covalent,SING,C5,H26,,,,,3433,bmse000163,1
5,covalent,SING,C8,O17,,,,,3433,bmse000163,1
6,covalent,SING,C8,O18,,,,,3433,bmse000163,1
7,covalent,SING,C8,H29,,,,,3433,bmse000163,1
8,covalent,SING,C7,C6,,,,,3433,bmse000163,1
9,covalent,SING,C7,O13,,,,,3433,bmse000163,1
10,covalent,SING,C7,H28,,,,,3433,bmse000163,1
11,covalent,SING,N9,C3,,,,,3433,bmse000163,1
12,covalent,SING,N9,H30,,,,,3433,bmse000163,1
13,covalent,SING,O17,C4,,,,,3433,bmse000163,1
14,covalent,SING,O18,P19,,,,,3433,bmse000163,1
15,covalent,SING,C6,C4,,,,,3433,bmse000163,1
16,covalent,SING,C6,O12,,,,,3433,bmse000163,1
17,covalent,SING,C6,H27,,,,,3433,bmse000163,1
18,covalent,SING,O13,H33,,,,,3433,bmse000163,1
19,covalent,SING,C3,C1,,,,,3433,bmse000163,1
20,covalent,DOUB,C3,O11,,,,,3433,bmse000163,1
21,covalent,SING,C4,C2,,,,,3433,bmse000163,1
22,covalent,SING,C4,H25,,,,,3433,bmse000163,1
23,covalent,SING,P19,O14,,,,,3433,bmse000163,1
24,covalent,SING,P19,O15,,,,,3433,bmse000163,1
25,covalent,DOUB,P19,O16,,,,,3433,bmse000163,1
26,covalent,SING,O12,H32,,,,,3433,bmse000163,1
27,covalent,SING,C1,H20,,,,,3433,bmse000163,1
28,covalent,SING,C1,H22,,,,,3433,bmse000163,1
29,covalent,SING,C1,H21,,,,,3433,bmse000163,1
30,covalent,SING,C2,O10,,,,,3433,bmse000163,1
31,covalent,SING,C2,H23,,,,,3433,bmse000163,1
32,covalent,SING,C2,H24,,,,,3433,bmse000163,1
33,covalent,SING,O14,H34,,,,,3433,bmse000163,1
34,covalent,SING,O15,H35,,,,,3433,bmse000163,1
35,covalent,SING,O10,H31,,,,,3433,bmse000163,1
1,covalent,SING,C3,C4,,,,,3455,bmse000166,1
2,covalent,SING,C3,C2,,,,,3455,bmse000166,1
3,covalent,SING,C3,O8,,,,,3455,bmse000166,1
4,covalent,SING,C3,H15,,,,,3455,bmse000166,1
5,covalent,SING,C4,C5,,,,,3455,bmse000166,1
6,covalent,SING,C4,O9,,,,,3455,bmse000166,1
7,covalent,SING,C4,H16,,,,,3455,bmse000166,1
8,covalent,SING,C2,C1,,,,,3455,bmse000166,1
9,covalent,SING,C2,O7,,,,,3455,bmse000166,1
10,covalent,SING,C2,H14,,,,,3455,bmse000166,1
11,covalent,SING,O8,H19,,,,,3455,bmse000166,1
12,covalent,SING,C5,O10,,,,,3455,bmse000166,1
13,covalent,DOUB,C5,O11,,,,,3455,bmse000166,1
14,covalent,SING,O9,H20,,,,,3455,bmse000166,1
15,covalent,SING,C1,O6,,,,,3455,bmse000166,1
16,covalent,SING,C1,H12,,,,,3455,bmse000166,1
17,covalent,SING,C1,H13,,,,,3455,bmse000166,1
18,covalent,SING,O7,H18,,,,,3455,bmse000166,1
19,covalent,SING,O10,H21,,,,,3455,bmse000166,1
20,covalent,SING,O6,H17,,,,,3455,bmse000166,1
1,covalent,SING,C2,C1,,,,,3477,bmse000167,1
2,covalent,SING,C2,C4,,,,,3477,bmse000167,1
3,covalent,SING,C2,O6,,,,,3477,bmse000167,1
4,covalent,SING,C2,H12,,,,,3477,bmse000167,1
5,covalent,SING,C1,C3,,,,,3477,bmse000167,1
6,covalent,SING,C1,O5,,,,,3477,bmse000167,1
7,covalent,SING,C1,H11,,,,,3477,bmse000167,1
8,covalent,SING,C4,O9,,,,,3477,bmse000167,1
9,covalent,DOUB,C4,O10,,,,,3477,bmse000167,1
10,covalent,SING,C3,O7,,,,,3477,bmse000167,1
11,covalent,DOUB,C3,O8,,,,,3477,bmse000167,1
12,covalent,SING,O6,H14,,,,,3477,bmse000167,1
13,covalent,SING,O5,H13,,,,,3477,bmse000167,1
14,covalent,SING,O9,H16,,,,,3477,bmse000167,1
15,covalent,SING,O7,H15,,,,,3477,bmse000167,1
1,covalent,SING,O10,C6,,,,,3499,bmse000168,1
2,covalent,SING,O10,C7,,,,,3499,bmse000168,1
3,covalent,DOUB,O9,C7,,,,,3499,bmse000168,1
4,covalent,SING,N8,C5,,,,,3499,bmse000168,1
5,covalent,SING,N8,C2,,,,,3499,bmse000168,1
6,covalent,SING,N8,C3,,,,,3499,bmse000168,1
7,covalent,SING,N8,C4,,,,,3499,bmse000168,1
8,covalent,SING,C5,C6,,,,,3499,bmse000168,1
9,covalent,SING,C5,H23,,,,,3499,bmse000168,1
10,covalent,SING,C5,H24,,,,,3499,bmse000168,1
11,covalent,SING,C2,H15,,,,,3499,bmse000168,1
12,covalent,SING,C2,H16,,,,,3499,bmse000168,1
13,covalent,SING,C2,H14,,,,,3499,bmse000168,1
14,covalent,SING,C3,H19,,,,,3499,bmse000168,1
15,covalent,SING,C3,H18,,,,,3499,bmse000168,1
16,covalent,SING,C3,H17,,,,,3499,bmse000168,1
17,covalent,SING,C4,H21,,,,,3499,bmse000168,1
18,covalent,SING,C4,H22,,,,,3499,bmse000168,1
19,covalent,SING,C4,H20,,,,,3499,bmse000168,1
20,covalent,SING,C6,H25,,,,,3499,bmse000168,1
21,covalent,SING,C6,H26,,,,,3499,bmse000168,1
22,covalent,SING,C7,C1,,,,,3499,bmse000168,1
23,covalent,SING,C1,H12,,,,,3499,bmse000168,1
24,covalent,SING,C1,H13,,,,,3499,bmse000168,1
25,covalent,SING,C1,H11,,,,,3499,bmse000168,1
1,covalent,SING,C4,N6,,,,,3520,bmse000169,1
2,covalent,SING,N6,H18,,,,,3520,bmse000169,1
3,covalent,SING,N6,H19,,,,,3520,bmse000169,1
4,covalent,SING,C4,C5,,,,,3520,bmse000169,1
5,covalent,SING,C4,C2,,,,,3520,bmse000169,1
6,covalent,SING,C4,H17,,,,,3520,bmse000169,1
7,covalent,DOUB,C5,O7,,,,,3520,bmse000169,1
8,covalent,SING,C5,O8,,,,,3520,bmse000169,1
9,covalent,SING,O8,H20,,,,,3520,bmse000169,1
10,covalent,SING,C2,C3,,,,,3520,bmse000169,1
11,covalent,SING,C2,H13,,,,,3520,bmse000169,1
12,covalent,SING,C2,H14,,,,,3520,bmse000169,1
13,covalent,SING,C3,Se9,,,,,3520,bmse000169,1
14,covalent,SING,C3,H15,,,,,3520,bmse000169,1
15,covalent,SING,C3,H16,,,,,3520,bmse000169,1
16,covalent,SING,Se9,C1,,,,,3520,bmse000169,1
17,covalent,SING,C1,H12,,,,,3520,bmse000169,1
18,covalent,SING,C1,H11,,,,,3520,bmse000169,1
19,covalent,SING,C1,H10,,,,,3520,bmse000169,1
1,covalent,SING,C9,N21,,,,,3542,bmse000170,1
2,covalent,SING,N21,H61,,,,,3542,bmse000170,1
3,covalent,SING,N21,H62,,,,,3542,bmse000170,1
4,covalent,SING,C9,C19,,,,,3542,bmse000170,1
5,covalent,SING,C9,C1,,,,,3542,bmse000170,1
6,covalent,SING,C9,H57,,,,,3542,bmse000170,1
7,covalent,DOUB,C19,O35,,,,,3542,bmse000170,1
8,covalent,SING,C19,O36,,,,,3542,bmse000170,1
9,covalent,SING,O36,H71,,,,,3542,bmse000170,1
10,covalent,SING,C1,C3,,,,,3542,bmse000170,1
11,covalent,SING,C1,H41,,,,,3542,bmse000170,1
12,covalent,SING,C1,H42,,,,,3542,bmse000170,1
13,covalent,SING,C3,C13,,,,,3542,bmse000170,1
14,covalent,SING,C3,H45,,,,,3542,bmse000170,1
15,covalent,SING,C3,H46,,,,,3542,bmse000170,1
16,covalent,DOUB,C13,O27,,,,,3542,bmse000170,1
17,covalent,SING,C13,N25,,,,,3542,bmse000170,1
18,covalent,SING,C11,N25,,,,,3542,bmse000170,1
19,covalent,SING,N25,H67,,,,,3542,bmse000170,1
20,covalent,SING,C11,C17,,,,,3542,bmse000170,1
21,covalent,SING,C11,C7,,,,,3542,bmse000170,1
22,covalent,SING,C11,H59,,,,,3542,bmse000170,1
23,covalent,DOUB,C17,O33,,,,,3542,bmse000170,1
24,covalent,SING,C17,N23,,,,,3542,bmse000170,1
25,covalent,SING,C7,S39,,,,,3542,bmse000170,1
26,covalent,SING,C7,H53,,,,,3542,bmse000170,1
27,covalent,SING,C7,H54,,,,,3542,bmse000170,1
28,covalent,SING,S39,S40,,,,,3542,bmse000170,1
29,covalent,SING,N23,C5,,,,,3542,bmse000170,1
30,covalent,SING,N23,H65,,,,,3542,bmse000170,1
31,covalent,SING,C5,C15,,,,,3542,bmse000170,1
32,covalent,SING,C5,H49,,,,,3542,bmse000170,1
33,covalent,SING,C5,H50,,,,,3542,bmse000170,1
34,covalent,DOUB,C15,O29,,,,,3542,bmse000170,1
35,covalent,SING,C15,O30,,,,,3542,bmse000170,1
36,covalent,SING,O30,H69,,,,,3542,bmse000170,1
37,covalent,SING,N24,C6,,,,,3542,bmse000170,1
38,covalent,SING,N24,C18,,,,,3542,bmse000170,1
39,covalent,SING,N24,H66,,,,,3542,bmse000170,1
40,covalent,SING,C6,C16,,,,,3542,bmse000170,1
41,covalent,SING,C6,H51,,,,,3542,bmse000170,1
42,covalent,SING,C6,H52,,,,,3542,bmse000170,1
43,covalent,DOUB,C16,O31,,,,,3542,bmse000170,1
44,covalent,SING,C16,O32,,,,,3542,bmse000170,1
45,covalent,SING,O32,H70,,,,,3542,bmse000170,1
46,covalent,DOUB,C18,O34,,,,,3542,bmse000170,1
47,covalent,SING,C18,C12,,,,,3542,bmse000170,1
48,covalent,SING,C12,N26,,,,,3542,bmse000170,1
49,covalent,SING,C12,C8,,,,,3542,bmse000170,1
50,covalent,SING,C12,H60,,,,,3542,bmse000170,1
51,covalent,SING,N26,C14,,,,,3542,bmse000170,1
52,covalent,SING,N26,H68,,,,,3542,bmse000170,1
53,covalent,SING,C8,S40,,,,,3542,bmse000170,1
54,covalent,SING,C8,H55,,,,,3542,bmse000170,1
55,covalent,SING,C8,H56,,,,,3542,bmse000170,1
56,covalent,SING,C10,C20,,,,,3542,bmse000170,1
57,covalent,SING,C10,N22,,,,,3542,bmse000170,1
58,covalent,SING,C10,C2,,,,,3542,bmse000170,1
59,covalent,SING,C10,H58,,,,,3542,bmse000170,1
60,covalent,DOUB,C20,O37,,,,,3542,bmse000170,1
61,covalent,SING,C20,O38,,,,,3542,bmse000170,1
62,covalent,SING,O38,H72,,,,,3542,bmse000170,1
63,covalent,SING,N22,H63,,,,,3542,bmse000170,1
64,covalent,SING,N22,H64,,,,,3542,bmse000170,1
65,covalent,SING,C2,C4,,,,,3542,bmse000170,1
66,covalent,SING,C2,H43,,,,,3542,bmse000170,1
67,covalent,SING,C2,H44,,,,,3542,bmse000170,1
68,covalent,SING,C4,C14,,,,,3542,bmse000170,1
69,covalent,SING,C4,H47,,,,,3542,bmse000170,1
70,covalent,SING,C4,H48,,,,,3542,bmse000170,1
71,covalent,DOUB,C14,O28,,,,,3542,bmse000170,1
1,covalent,SING,H13,C1,,,,,3565,bmse000171,1
2,covalent,SING,H14,C2,,,,,3565,bmse000171,1
3,covalent,SING,H15,C3,,,,,3565,bmse000171,1
4,covalent,SING,H16,C4,,,,,3565,bmse000171,1
5,covalent,SING,H17,C5,,,,,3565,bmse000171,1
6,covalent,SING,H18,C7,,,,,3565,bmse000171,1
7,covalent,SING,H19,N8,,,,,3565,bmse000171,1
8,covalent,SING,H20,N8,,,,,3565,bmse000171,1
9,covalent,SING,H21,O10,,,,,3565,bmse000171,1
10,covalent,SING,H22,O11,,,,,3565,bmse000171,1
11,covalent,DOUB,C1,C2,,,,,3565,bmse000171,1
12,covalent,SING,C1,C3,,,,,3565,bmse000171,1
13,covalent,SING,C2,C4,,,,,3565,bmse000171,1
14,covalent,DOUB,C3,C5,,,,,3565,bmse000171,1
15,covalent,DOUB,C4,C6,,,,,3565,bmse000171,1
16,covalent,SING,C5,C6,,,,,3565,bmse000171,1
17,covalent,SING,C6,C7,,,,,3565,bmse000171,1
18,covalent,SING,C7,N8,,,,,3565,bmse000171,1
19,covalent,SING,C7,P12,,,,,3565,bmse000171,1
20,covalent,DOUB,O9,P12,,,,,3565,bmse000171,1
21,covalent,SING,O10,P12,,,,,3565,bmse000171,1
22,covalent,SING,O11,P12,,,,,3565,bmse000171,1
1,covalent,DOUB,C1,C2,,,,,3586,bmse000172,1
2,covalent,SING,C1,C3,,,,,3586,bmse000172,1
3,covalent,SING,C1,H16,,,,,3586,bmse000172,1
4,covalent,SING,C2,C4,,,,,3586,bmse000172,1
5,covalent,SING,C2,H17,,,,,3586,bmse000172,1
6,covalent,DOUB,C3,C6,,,,,3586,bmse000172,1
7,covalent,SING,C3,H18,,,,,3586,bmse000172,1
8,covalent,DOUB,C4,C7,,,,,3586,bmse000172,1
9,covalent,SING,C4,H19,,,,,3586,bmse000172,1
10,covalent,SING,C5,C8,,,,,3586,bmse000172,1
11,covalent,SING,C5,C9,,,,,3586,bmse000172,1
12,covalent,SING,C5,H20,,,,,3586,bmse000172,1
13,covalent,SING,C5,H21,,,,,3586,bmse000172,1
14,covalent,SING,C6,C7,,,,,3586,bmse000172,1
15,covalent,SING,C6,C9,,,,,3586,bmse000172,1
16,covalent,SING,C7,N11,,,,,3586,bmse000172,1
17,covalent,SING,C8,C10,,,,,3586,bmse000172,1
18,covalent,SING,C8,N12,,,,,3586,bmse000172,1
19,covalent,SING,C8,H22,,,,,3586,bmse000172,1
20,covalent,DOUB,C9,O13,,,,,3586,bmse000172,1
21,covalent,SING,C10,O14,,,,,3586,bmse000172,1
22,covalent,DOUB,C10,O15,,,,,3586,bmse000172,1
23,covalent,SING,N11,H23,,,,,3586,bmse000172,1
24,covalent,SING,N11,H24,,,,,3586,bmse000172,1
25,covalent,SING,N12,H25,,,,,3586,bmse000172,1
26,covalent,SING,N12,H26,,,,,3586,bmse000172,1
27,covalent,SING,O14,H27,,,,,3586,bmse000172,1
1,covalent,DOUB,C1,C3,,,,,3608,bmse000173,1
2,covalent,SING,C1,C7,,,,,3608,bmse000173,1
3,covalent,SING,C1,H11,,,,,3608,bmse000173,1
4,covalent,SING,C2,C4,,,,,3608,bmse000173,1
5,covalent,DOUB,C2,C7,,,,,3608,bmse000173,1
6,covalent,SING,C2,H12,,,,,3608,bmse000173,1
7,covalent,SING,C3,C8,,,,,3608,bmse000173,1
8,covalent,SING,C3,H13,,,,,3608,bmse000173,1
9,covalent,DOUB,C4,C8,,,,,3608,bmse000173,1
10,covalent,SING,C4,H14,,,,,3608,bmse000173,1
11,covalent,SING,C5,C6,,,,,3608,bmse000173,1
12,covalent,SING,C5,C7,,,,,3608,bmse000173,1
13,covalent,SING,C5,H15,,,,,3608,bmse000173,1
14,covalent,SING,C5,H16,,,,,3608,bmse000173,1
15,covalent,SING,C6,O9,,,,,3608,bmse000173,1
16,covalent,SING,C6,H17,,,,,3608,bmse000173,1
17,covalent,SING,C6,H18,,,,,3608,bmse000173,1
18,covalent,SING,C8,O10,,,,,3608,bmse000173,1
19,covalent,SING,O9,H19,,,,,3608,bmse000173,1
20,covalent,SING,O10,H20,,,,,3608,bmse000173,1
1,covalent,SING,C1,C5,,,,,3629,bmse000174,1
2,covalent,SING,C1,H17,,,,,3629,bmse000174,1
3,covalent,SING,C1,H19,,,,,3629,bmse000174,1
4,covalent,SING,C1,H18,,,,,3629,bmse000174,1
5,covalent,DOUB,C2,C3,,,,,3629,bmse000174,1
6,covalent,SING,C2,C6,,,,,3629,bmse000174,1
7,covalent,SING,C2,H20,,,,,3629,bmse000174,1
8,covalent,SING,C3,C8,,,,,3629,bmse000174,1
9,covalent,SING,C3,H21,,,,,3629,bmse000174,1
10,covalent,DOUB,C4,C6,,,,,3629,bmse000174,1
11,covalent,SING,C4,C7,,,,,3629,bmse000174,1
12,covalent,SING,C4,H22,,,,,3629,bmse000174,1
13,covalent,SING,C6,N10,,,,,3629,bmse000174,1
14,covalent,DOUB,C8,C7,,,,,3629,bmse000174,1
15,covalent,SING,C8,N11,,,,,3629,bmse000174,1
16,covalent,SING,C7,C9,,,,,3629,bmse000174,1
17,covalent,SING,C5,N10,,,,,3629,bmse000174,1
18,covalent,DOUB,C5,O12,,,,,3629,bmse000174,1
19,covalent,SING,C9,O13,,,,,3629,bmse000174,1
20,covalent,DOUB,C9,O14,,,,,3629,bmse000174,1
21,covalent,SING,N10,H23,,,,,3629,bmse000174,1
22,covalent,SING,N11,O15,,,,,3629,bmse000174,1
23,covalent,DOUB,N11,O16,,,,,3629,bmse000174,1
24,covalent,SING,O13,H24,,,,,3629,bmse000174,1
1,covalent,SING,C2,N11,,,,,3650,bmse000175,1
2,covalent,DOUB,C2,N12,,,,,3650,bmse000175,1
3,covalent,SING,C2,H26,,,,,3650,bmse000175,1
4,covalent,DOUB,C3,N13,,,,,3650,bmse000175,1
5,covalent,SING,C3,N14,,,,,3650,bmse000175,1
6,covalent,SING,C3,H27,,,,,3650,bmse000175,1
7,covalent,SING,C4,C1,,,,,3650,bmse000175,1
8,covalent,SING,C1,O21,,,,,3650,bmse000175,1
9,covalent,SING,C1,H24,,,,,3650,bmse000175,1
10,covalent,SING,C1,H25,,,,,3650,bmse000175,1
11,covalent,DOUB,C5,C8,,,,,3650,bmse000175,1
12,covalent,SING,C5,C9,,,,,3650,bmse000175,1
13,covalent,SING,C5,N13,,,,,3650,bmse000175,1
14,covalent,SING,C8,N11,,,,,3650,bmse000175,1
15,covalent,SING,C8,N14,,,,,3650,bmse000175,1
16,covalent,SING,C9,N12,,,,,3650,bmse000175,1
17,covalent,DOUB,C9,O17,,,,,3650,bmse000175,1
18,covalent,SING,C4,C6,,,,,3650,bmse000175,1
19,covalent,SING,C4,O22,,,,,3650,bmse000175,1
20,covalent,SING,C4,H28,,,,,3650,bmse000175,1
21,covalent,SING,C6,C7,,,,,3650,bmse000175,1
22,covalent,SING,C6,O15,,,,,3650,bmse000175,1
23,covalent,SING,C6,H29,,,,,3650,bmse000175,1
24,covalent,SING,C7,C10,,,,,3650,bmse000175,1
25,covalent,SING,C7,O16,,,,,3650,bmse000175,1
26,covalent,SING,C7,H30,,,,,3650,bmse000175,1
27,covalent,SING,C10,N14,,,,,3650,bmse000175,1
28,covalent,SING,C10,O22,,,,,3650,bmse000175,1
29,covalent,SING,C10,H31,,,,,3650,bmse000175,1
30,covalent,SING,N11,H32,,,,,3650,bmse000175,1
31,covalent,SING,O15,H33,,,,,3650,bmse000175,1
32,covalent,SING,O16,H34,,,,,3650,bmse000175,1
33,covalent,SING,O18,P23,,,,,3650,bmse000175,1
34,covalent,SING,O18,H35,,,,,3650,bmse000175,1
35,covalent,SING,O19,P23,,,,,3650,bmse000175,1
36,covalent,SING,O19,H36,,,,,3650,bmse000175,1
37,covalent,DOUB,O20,P23,,,,,3650,bmse000175,1
38,covalent,SING,O21,P23,,,,,3650,bmse000175,1
1,covalent,SING,C1,C2,,,,,3672,bmse000176,1
2,covalent,SING,C1,H11,,,,,3672,bmse000176,1
3,covalent,SING,C1,H10,,,,,3672,bmse000176,1
4,covalent,SING,C1,H9,,,,,3672,bmse000176,1
5,covalent,SING,C2,C3,,,,,3672,bmse000176,1
6,covalent,SING,C2,H12,,,,,3672,bmse000176,1
7,covalent,SING,C2,H13,,,,,3672,bmse000176,1
8,covalent,DOUB,C3,N6,,,,,3672,bmse000176,1
9,covalent,SING,C3,S8,,,,,3672,bmse000176,1
10,covalent,SING,C4,N5,,,,,3672,bmse000176,1
11,covalent,DOUB,C4,N7,,,,,3672,bmse000176,1
12,covalent,SING,C4,S8,,,,,3672,bmse000176,1
13,covalent,SING,N5,H14,,,,,3672,bmse000176,1
14,covalent,SING,N5,H15,,,,,3672,bmse000176,1
15,covalent,SING,N6,N7,,,,,3672,bmse000176,1
1,covalent,SING,H21,N11,,,,,3692,bmse000177,1
2,covalent,DOUB,C1,C2,,,,,3692,bmse000177,1
3,covalent,SING,C1,C3,,,,,3692,bmse000177,1
4,covalent,SING,C1,H14,,,,,3692,bmse000177,1
5,covalent,SING,C2,C4,,,,,3692,bmse000177,1
6,covalent,SING,C2,H15,,,,,3692,bmse000177,1
7,covalent,DOUB,C3,C8,,,,,3692,bmse000177,1
8,covalent,SING,C3,H16,,,,,3692,bmse000177,1
9,covalent,DOUB,C4,C9,,,,,3692,bmse000177,1
10,covalent,SING,C4,H17,,,,,3692,bmse000177,1
11,covalent,DOUB,C6,C7,,,,,3692,bmse000177,1
12,covalent,SING,C6,N11,,,,,3692,bmse000177,1
13,covalent,SING,C6,H20,,,,,3692,bmse000177,1
14,covalent,SING,C5,C7,,,,,3692,bmse000177,1
15,covalent,SING,C5,C10,,,,,3692,bmse000177,1
16,covalent,SING,C5,H18,,,,,3692,bmse000177,1
17,covalent,SING,C5,H19,,,,,3692,bmse000177,1
18,covalent,SING,C8,C9,,,,,3692,bmse000177,1
19,covalent,SING,C8,C7,,,,,3692,bmse000177,1
20,covalent,SING,C9,N11,,,,,3692,bmse000177,1
21,covalent,SING,C10,O12,,,,,3692,bmse000177,1
22,covalent,DOUB,C10,O13,,,,,3692,bmse000177,1
23,covalent,SING,O12,H22,,,,,3692,bmse000177,1
1,covalent,SING,H21,O13,,,,,3714,bmse000178,1
2,covalent,DOUB,C1,C2,,,,,3714,bmse000178,1
3,covalent,SING,C1,C4,,,,,3714,bmse000178,1
4,covalent,SING,C1,H14,,,,,3714,bmse000178,1
5,covalent,SING,C2,C6,,,,,3714,bmse000178,1
6,covalent,SING,C2,H15,,,,,3714,bmse000178,1
7,covalent,DOUB,C3,C5,,,,,3714,bmse000178,1
8,covalent,SING,C3,C7,,,,,3714,bmse000178,1
9,covalent,SING,C3,H16,,,,,3714,bmse000178,1
10,covalent,DOUB,C4,C8,,,,,3714,bmse000178,1
11,covalent,SING,C4,H17,,,,,3714,bmse000178,1
12,covalent,DOUB,C6,C9,,,,,3714,bmse000178,1
13,covalent,SING,C6,H19,,,,,3714,bmse000178,1
14,covalent,SING,C5,C8,,,,,3714,bmse000178,1
15,covalent,SING,C5,H18,,,,,3714,bmse000178,1
16,covalent,DOUB,C7,C10,,,,,3714,bmse000178,1
17,covalent,SING,C7,H20,,,,,3714,bmse000178,1
18,covalent,SING,C8,C9,,,,,3714,bmse000178,1
19,covalent,SING,C9,C10,,,,,3714,bmse000178,1
20,covalent,SING,C10,C11,,,,,3714,bmse000178,1
21,covalent,DOUB,C11,O12,,,,,3714,bmse000178,1
22,covalent,SING,C11,O13,,,,,3714,bmse000178,1
1,covalent,SING,C3,C2,,,,,3735,bmse000179,1
2,covalent,DOUB,C3,O4,,,,,3735,bmse000179,1
3,covalent,SING,C3,O5,,,,,3735,bmse000179,1
4,covalent,SING,C2,C1,,,,,3735,bmse000179,1
5,covalent,SING,C2,H9,,,,,3735,bmse000179,1
6,covalent,SING,C2,H10,,,,,3735,bmse000179,1
7,covalent,SING,C1,H8,,,,,3735,bmse000179,1
8,covalent,SING,C1,H7,,,,,3735,bmse000179,1
9,covalent,SING,C1,H6,,,,,3735,bmse000179,1
10,covalent,SING,O5,H11,,,,,3735,bmse000179,1
1,covalent,DOUB,O8,C4,,,,,3756,bmse000180,1
2,covalent,SING,N5,C3,,,,,3756,bmse000180,1
3,covalent,SING,N5,H11,,,,,3756,bmse000180,1
4,covalent,SING,N5,H12,,,,,3756,bmse000180,1
5,covalent,SING,N7,C4,,,,,3756,bmse000180,1
6,covalent,SING,N7,C3,,,,,3756,bmse000180,1
7,covalent,SING,N7,H13,,,,,3756,bmse000180,1
8,covalent,SING,N6,C4,,,,,3756,bmse000180,1
9,covalent,DOUB,N6,C2,,,,,3756,bmse000180,1
10,covalent,DOUB,C3,C1,,,,,3756,bmse000180,1
11,covalent,SING,C2,C1,,,,,3756,bmse000180,1
12,covalent,SING,C2,H10,,,,,3756,bmse000180,1
13,covalent,SING,C1,H9,,,,,3756,bmse000180,1
1,covalent,DOUB,C6,C4,,,,,3777,bmse000182,1
2,covalent,SING,C6,O11,,,,,3777,bmse000182,1
3,covalent,SING,C6,O12,,,,,3777,bmse000182,1
4,covalent,SING,C4,C3,,,,,3777,bmse000182,1
5,covalent,SING,C4,O10,,,,,3777,bmse000182,1
6,covalent,SING,C3,C5,,,,,3777,bmse000182,1
7,covalent,DOUB,C3,O9,,,,,3777,bmse000182,1
8,covalent,SING,C5,C2,,,,,3777,bmse000182,1
9,covalent,SING,C5,O12,,,,,3777,bmse000182,1
10,covalent,SING,C5,H16,,,,,3777,bmse000182,1
11,covalent,SING,C2,C1,,,,,3777,bmse000182,1
12,covalent,SING,C2,O8,,,,,3777,bmse000182,1
13,covalent,SING,C2,H15,,,,,3777,bmse000182,1
14,covalent,SING,C1,O7,,,,,3777,bmse000182,1
15,covalent,SING,C1,H13,,,,,3777,bmse000182,1
16,covalent,SING,C1,H14,,,,,3777,bmse000182,1
17,covalent,SING,O11,H20,,,,,3777,bmse000182,1
18,covalent,SING,O10,H19,,,,,3777,bmse000182,1
19,covalent,SING,O8,H18,,,,,3777,bmse000182,1
20,covalent,SING,O7,H17,,,,,3777,bmse000182,1
1,covalent,DOUB,C3,O5,,,,,3799,bmse000183,1
2,covalent,SING,C3,C1,,,,,3799,bmse000183,1
3,covalent,SING,C3,O6,,,,,3799,bmse000183,1
4,covalent,DOUB,C4,O7,,,,,3799,bmse000183,1
5,covalent,SING,C4,C2,,,,,3799,bmse000183,1
6,covalent,SING,C4,O8,,,,,3799,bmse000183,1
7,covalent,SING,C1,C2,,,,,3799,bmse000183,1
8,covalent,SING,C1,H9,,,,,3799,bmse000183,1
9,covalent,SING,C1,H10,,,,,3799,bmse000183,1
10,covalent,SING,C2,H11,,,,,3799,bmse000183,1
11,covalent,SING,C2,H12,,,,,3799,bmse000183,1
12,covalent,SING,O6,H13,,,,,3799,bmse000183,1
13,covalent,SING,O8,H14,,,,,3799,bmse000183,1
1,covalent,SING,C3,O6,,,,,3822,bmse000184,1
2,covalent,SING,C3,C1,,,,,3822,bmse000184,1
3,covalent,SING,C3,C2,,,,,3822,bmse000184,1
4,covalent,SING,C3,H11,,,,,3822,bmse000184,1
5,covalent,SING,O6,H14,,,,,3822,bmse000184,1
6,covalent,SING,O5,C2,,,,,3822,bmse000184,1
7,covalent,SING,O5,H13,,,,,3822,bmse000184,1
8,covalent,SING,O4,C1,,,,,3822,bmse000184,1
9,covalent,SING,O4,H12,,,,,3822,bmse000184,1
10,covalent,SING,C1,H7,,,,,3822,bmse000184,1
11,covalent,SING,C1,H8,,,,,3822,bmse000184,1
12,covalent,SING,C2,H9,,,,,3822,bmse000184,1
13,covalent,SING,C2,H10,,,,,3822,bmse000184,1
1,covalent,SING,C5,N11,,,,,3845,bmse000185,1
2,covalent,SING,N11,H31,,,,,3845,bmse000185,1
3,covalent,SING,N11,H32,,,,,3845,bmse000185,1
4,covalent,SING,C5,C10,,,,,3845,bmse000185,1
5,covalent,SING,C5,C1,,,,,3845,bmse000185,1
6,covalent,SING,C5,H29,,,,,3845,bmse000185,1
7,covalent,DOUB,C10,O18,,,,,3845,bmse000185,1
8,covalent,SING,C10,O19,,,,,3845,bmse000185,1
9,covalent,SING,O19,H36,,,,,3845,bmse000185,1
10,covalent,SING,C1,C2,,,,,3845,bmse000185,1
11,covalent,SING,C1,H21,,,,,3845,bmse000185,1
12,covalent,SING,C1,H22,,,,,3845,bmse000185,1
13,covalent,SING,C2,C7,,,,,3845,bmse000185,1
14,covalent,SING,C2,H23,,,,,3845,bmse000185,1
15,covalent,SING,C2,H24,,,,,3845,bmse000185,1
16,covalent,DOUB,C7,O14,,,,,3845,bmse000185,1
17,covalent,SING,C7,N13,,,,,3845,bmse000185,1
18,covalent,SING,C6,N13,,,,,3845,bmse000185,1
19,covalent,SING,N13,H34,,,,,3845,bmse000185,1
20,covalent,SING,C6,C9,,,,,3845,bmse000185,1
21,covalent,SING,C6,C4,,,,,3845,bmse000185,1
22,covalent,SING,C6,H30,,,,,3845,bmse000185,1
23,covalent,DOUB,C9,O17,,,,,3845,bmse000185,1
24,covalent,SING,C9,N12,,,,,3845,bmse000185,1
25,covalent,SING,C4,S20,,,,,3845,bmse000185,1
26,covalent,SING,C4,H27,,,,,3845,bmse000185,1
27,covalent,SING,C4,H28,,,,,3845,bmse000185,1
28,covalent,SING,S20,H37,,,,,3845,bmse000185,1
29,covalent,SING,N12,C3,,,,,3845,bmse000185,1
30,covalent,SING,N12,H33,,,,,3845,bmse000185,1
31,covalent,SING,C3,C8,,,,,3845,bmse000185,1
32,covalent,SING,C3,H25,,,,,3845,bmse000185,1
33,covalent,SING,C3,H26,,,,,3845,bmse000185,1
34,covalent,DOUB,C8,O15,,,,,3845,bmse000185,1
35,covalent,SING,C8,O16,,,,,3845,bmse000185,1
36,covalent,SING,O16,H35,,,,,3845,bmse000185,1
1,covalent,DOUB,O8,C4,,,,,3871,bmse000187,1
2,covalent,DOUB,O7,C3,,,,,3871,bmse000187,1
3,covalent,SING,N6,C4,,,,,3871,bmse000187,1
4,covalent,SING,N6,C3,,,,,3871,bmse000187,1
5,covalent,SING,N6,H12,,,,,3871,bmse000187,1
6,covalent,SING,N5,C4,,,,,3871,bmse000187,1
7,covalent,SING,N5,C2,,,,,3871,bmse000187,1
8,covalent,SING,N5,H11,,,,,3871,bmse000187,1
9,covalent,SING,C3,C1,,,,,3871,bmse000187,1
10,covalent,DOUB,C2,C1,,,,,3871,bmse000187,1
11,covalent,SING,C2,H10,,,,,3871,bmse000187,1
12,covalent,SING,C1,H9,,,,,3871,bmse000187,1
1,covalent,SING,C1,C6,,,,,3891,bmse000188,1
2,covalent,SING,C1,H42,,,,,3891,bmse000188,1
3,covalent,SING,C1,H40,,,,,3891,bmse000188,1
4,covalent,SING,C1,H41,,,,,3891,bmse000188,1
5,covalent,DOUB,C2,C3,,,,,3891,bmse000188,1
6,covalent,SING,C2,C9,,,,,3891,bmse000188,1
7,covalent,SING,C2,H43,,,,,3891,bmse000188,1
8,covalent,SING,C3,N20,,,,,3891,bmse000188,1
9,covalent,SING,C3,H44,,,,,3891,bmse000188,1
10,covalent,SING,C7,C4,,,,,3891,bmse000188,1
11,covalent,SING,C4,O21,,,,,3891,bmse000188,1
12,covalent,SING,C4,H45,,,,,3891,bmse000188,1
13,covalent,SING,C4,H46,,,,,3891,bmse000188,1
14,covalent,SING,C8,C5,,,,,3891,bmse000188,1
15,covalent,SING,C5,O33,,,,,3891,bmse000188,1
16,covalent,SING,C5,H47,,,,,3891,bmse000188,1
17,covalent,SING,C5,H48,,,,,3891,bmse000188,1
18,covalent,SING,C9,N19,,,,,3891,bmse000188,1
19,covalent,DOUB,C9,O23,,,,,3891,bmse000188,1
20,covalent,SING,C17,N19,,,,,3891,bmse000188,1
21,covalent,SING,C17,N20,,,,,3891,bmse000188,1
22,covalent,DOUB,C17,O28,,,,,3891,bmse000188,1
23,covalent,SING,C7,C11,,,,,3891,bmse000188,1
24,covalent,SING,C7,O35,,,,,3891,bmse000188,1
25,covalent,SING,C7,H49,,,,,3891,bmse000188,1
26,covalent,SING,C8,C12,,,,,3891,bmse000188,1
27,covalent,SING,C8,O34,,,,,3891,bmse000188,1
28,covalent,SING,C8,H50,,,,,3891,bmse000188,1
29,covalent,SING,C10,C13,,,,,3891,bmse000188,1
30,covalent,SING,C10,C16,,,,,3891,bmse000188,1
31,covalent,SING,C10,N18,,,,,3891,bmse000188,1
32,covalent,SING,C10,H51,,,,,3891,bmse000188,1
33,covalent,SING,C11,C13,,,,,3891,bmse000188,1
34,covalent,SING,C11,O24,,,,,3891,bmse000188,1
35,covalent,SING,C11,H52,,,,,3891,bmse000188,1
36,covalent,SING,C12,C14,,,,,3891,bmse000188,1
37,covalent,SING,C12,O25,,,,,3891,bmse000188,1
38,covalent,SING,C12,H53,,,,,3891,bmse000188,1
39,covalent,SING,C13,O26,,,,,3891,bmse000188,1
40,covalent,SING,C13,H54,,,,,3891,bmse000188,1
41,covalent,SING,C14,C15,,,,,3891,bmse000188,1
42,covalent,SING,C14,O27,,,,,3891,bmse000188,1
43,covalent,SING,C14,H55,,,,,3891,bmse000188,1
44,covalent,SING,C15,N20,,,,,3891,bmse000188,1
45,covalent,SING,C15,O34,,,,,3891,bmse000188,1
46,covalent,SING,C15,H56,,,,,3891,bmse000188,1
47,covalent,SING,C16,O35,,,,,3891,bmse000188,1
48,covalent,SING,C16,O36,,,,,3891,bmse000188,1
49,covalent,SING,C16,H57,,,,,3891,bmse000188,1
50,covalent,SING,C6,N18,,,,,3891,bmse000188,1
51,covalent,DOUB,C6,O22,,,,,3891,bmse000188,1
52,covalent,SING,N19,H59,,,,,3891,bmse000188,1
53,covalent,SING,N18,H58,,,,,3891,bmse000188,1
54,covalent,SING,O21,H60,,,,,3891,bmse000188,1
55,covalent,SING,O24,H61,,,,,3891,bmse000188,1
56,covalent,SING,O25,H62,,,,,3891,bmse000188,1
57,covalent,SING,O26,H63,,,,,3891,bmse000188,1
58,covalent,SING,O27,H64,,,,,3891,bmse000188,1
59,covalent,SING,O29,P38,,,,,3891,bmse000188,1
60,covalent,SING,O29,H65,,,,,3891,bmse000188,1
61,covalent,SING,O31,P39,,,,,3891,bmse000188,1
62,covalent,SING,O31,H66,,,,,3891,bmse000188,1
63,covalent,DOUB,O30,P38,,,,,3891,bmse000188,1
64,covalent,DOUB,O32,P39,,,,,3891,bmse000188,1
65,covalent,SING,O33,P38,,,,,3891,bmse000188,1
66,covalent,SING,O36,P39,,,,,3891,bmse000188,1
67,covalent,SING,O37,P38,,,,,3891,bmse000188,1
68,covalent,SING,O37,P39,,,,,3891,bmse000188,1
1,covalent,SING,C6,C3,,,,,3911,bmse000189,1
2,covalent,SING,C6,O10,,,,,3911,bmse000189,1
3,covalent,SING,C6,O15,,,,,3911,bmse000189,1
4,covalent,SING,C6,H23,,,,,3911,bmse000189,1
5,covalent,SING,C3,C5,,,,,3911,bmse000189,1
6,covalent,SING,C3,N7,,,,,3911,bmse000189,1
7,covalent,SING,C3,H20,,,,,3911,bmse000189,1
8,covalent,SING,C5,C4,,,,,3911,bmse000189,1
9,covalent,SING,C5,O9,,,,,3911,bmse000189,1
10,covalent,SING,C5,H22,,,,,3911,bmse000189,1
11,covalent,SING,C4,C2,,,,,3911,bmse000189,1
12,covalent,SING,C4,O8,,,,,3911,bmse000189,1
13,covalent,SING,C4,H21,,,,,3911,bmse000189,1
14,covalent,SING,C2,C1,,,,,3911,bmse000189,1
15,covalent,SING,C2,O15,,,,,3911,bmse000189,1
16,covalent,SING,C2,H19,,,,,3911,bmse000189,1
17,covalent,SING,C1,O14,,,,,3911,bmse000189,1
18,covalent,SING,C1,H17,,,,,3911,bmse000189,1
19,covalent,SING,C1,H18,,,,,3911,bmse000189,1
20,covalent,SING,O10,H28,,,,,3911,bmse000189,1
21,covalent,SING,N7,H24,,,,,3911,bmse000189,1
22,covalent,SING,N7,H25,,,,,3911,bmse000189,1
23,covalent,SING,O9,H27,,,,,3911,bmse000189,1
24,covalent,SING,O8,H26,,,,,3911,bmse000189,1
25,covalent,SING,O14,P16,,,,,3911,bmse000189,1
26,covalent,DOUB,P16,O11,,,,,3911,bmse000189,1
27,covalent,SING,P16,O12,,,,,3911,bmse000189,1
28,covalent,SING,P16,O13,,,,,3911,bmse000189,1
29,covalent,SING,O12,H29,,,,,3911,bmse000189,1
30,covalent,SING,O13,H30,,,,,3911,bmse000189,1
1,covalent,DOUB,C1,C2,,,,,3933,bmse000190,1
2,covalent,SING,C1,C5,,,,,3933,bmse000190,1
3,covalent,SING,C1,H18,,,,,3933,bmse000190,1
4,covalent,SING,C2,N12,,,,,3933,bmse000190,1
5,covalent,SING,C2,H19,,,,,3933,bmse000190,1
6,covalent,SING,C4,C3,,,,,3933,bmse000190,1
7,covalent,SING,C3,O13,,,,,3933,bmse000190,1
8,covalent,SING,C3,H20,,,,,3933,bmse000190,1
9,covalent,SING,C3,H21,,,,,3933,bmse000190,1
10,covalent,SING,C5,N10,,,,,3933,bmse000190,1
11,covalent,DOUB,C5,N11,,,,,3933,bmse000190,1
12,covalent,SING,C9,N11,,,,,3933,bmse000190,1
13,covalent,SING,C9,N12,,,,,3933,bmse000190,1
14,covalent,DOUB,C9,O16,,,,,3933,bmse000190,1
15,covalent,SING,C4,C6,,,,,3933,bmse000190,1
16,covalent,SING,C4,O17,,,,,3933,bmse000190,1
17,covalent,SING,C4,H22,,,,,3933,bmse000190,1
18,covalent,SING,C6,C7,,,,,3933,bmse000190,1
19,covalent,SING,C6,O14,,,,,3933,bmse000190,1
20,covalent,SING,C6,H23,,,,,3933,bmse000190,1
21,covalent,SING,C7,C8,,,,,3933,bmse000190,1
22,covalent,SING,C7,O15,,,,,3933,bmse000190,1
23,covalent,SING,C7,H24,,,,,3933,bmse000190,1
24,covalent,SING,C8,N12,,,,,3933,bmse000190,1
25,covalent,SING,C8,O17,,,,,3933,bmse000190,1
26,covalent,SING,C8,H25,,,,,3933,bmse000190,1
27,covalent,SING,N10,H26,,,,,3933,bmse000190,1
28,covalent,SING,N10,H27,,,,,3933,bmse000190,1
29,covalent,SING,O13,H28,,,,,3933,bmse000190,1
30,covalent,SING,O14,H29,,,,,3933,bmse000190,1
31,covalent,SING,O15,H30,,,,,3933,bmse000190,1
1,covalent,DOUB,C2,O3,,,,,3958,bmse000191,1
2,covalent,SING,C2,O4,,,,,3958,bmse000191,1
3,covalent,SING,C2,C1,,,,,3958,bmse000191,1
4,covalent,SING,O4,H8,,,,,3958,bmse000191,1
5,covalent,SING,C1,H6,,,,,3958,bmse000191,1
6,covalent,SING,C1,H7,,,,,3958,bmse000191,1
7,covalent,SING,C1,H5,,,,,3958,bmse000191,1
1,covalent,SING,P10,O9,,,,,3983,bmse000193,1
2,covalent,DOUB,P10,O6,,,,,3983,bmse000193,1
3,covalent,SING,P10,O7,,,,,3983,bmse000193,1
4,covalent,SING,P10,O8,,,,,3983,bmse000193,1
5,covalent,SING,O9,C2,,,,,3983,bmse000193,1
6,covalent,SING,C2,C3,,,,,3983,bmse000193,1
7,covalent,SING,C2,H13,,,,,3983,bmse000193,1
8,covalent,SING,C2,H14,,,,,3983,bmse000193,1
9,covalent,SING,O7,H18,,,,,3983,bmse000193,1
10,covalent,SING,O8,H19,,,,,3983,bmse000193,1
11,covalent,SING,C3,O5,,,,,3983,bmse000193,1
12,covalent,SING,C3,C1,,,,,3983,bmse000193,1
13,covalent,SING,C3,H15,,,,,3983,bmse000193,1
14,covalent,SING,O5,H17,,,,,3983,bmse000193,1
15,covalent,SING,O4,C1,,,,,3983,bmse000193,1
16,covalent,SING,O4,H16,,,,,3983,bmse000193,1
17,covalent,SING,C1,H11,,,,,3983,bmse000193,1
18,covalent,SING,C1,H12,,,,,3983,bmse000193,1
1,covalent,SING,C1,C2,,,,,4005,bmse000194,1
2,covalent,SING,C1,C3,,,,,4005,bmse000194,1
3,covalent,SING,C1,H13,,,,,4005,bmse000194,1
4,covalent,SING,C1,H14,,,,,4005,bmse000194,1
5,covalent,SING,C2,C4,,,,,4005,bmse000194,1
6,covalent,SING,C2,H15,,,,,4005,bmse000194,1
7,covalent,SING,C2,H16,,,,,4005,bmse000194,1
8,covalent,SING,C3,N10,,,,,4005,bmse000194,1
9,covalent,SING,C3,H17,,,,,4005,bmse000194,1
10,covalent,SING,C3,H18,,,,,4005,bmse000194,1
11,covalent,SING,C4,C5,,,,,4005,bmse000194,1
12,covalent,SING,C4,N7,,,,,4005,bmse000194,1
13,covalent,SING,C4,H19,,,,,4005,bmse000194,1
14,covalent,DOUB,N10,C6,,,,,4005,bmse000194,1
15,covalent,DOUB,C5,O11,,,,,4005,bmse000194,1
16,covalent,SING,C5,O12,,,,,4005,bmse000194,1
17,covalent,SING,N7,H20,,,,,4005,bmse000194,1
18,covalent,SING,N7,H21,,,,,4005,bmse000194,1
19,covalent,SING,C6,N8,,,,,4005,bmse000194,1
20,covalent,SING,C6,N9,,,,,4005,bmse000194,1
21,covalent,SING,O12,H26,,,,,4005,bmse000194,1
22,covalent,SING,N8,H22,,,,,4005,bmse000194,1
23,covalent,SING,N8,H23,,,,,4005,bmse000194,1
24,covalent,SING,N9,H24,,,,,4005,bmse000194,1
25,covalent,SING,N9,H25,,,,,4005,bmse000194,1
26,covalent,SING,C27,C29,,,,,4005,bmse000194,1
27,covalent,SING,C27,C28,,,,,4005,bmse000194,1
28,covalent,SING,C27,H37,,,,,4005,bmse000194,1
29,covalent,SING,C27,H38,,,,,4005,bmse000194,1
30,covalent,SING,C29,C31,,,,,4005,bmse000194,1
31,covalent,SING,C29,N32,,,,,4005,bmse000194,1
32,covalent,SING,C29,H41,,,,,4005,bmse000194,1
33,covalent,SING,C28,C30,,,,,4005,bmse000194,1
34,covalent,SING,C28,H39,,,,,4005,bmse000194,1
35,covalent,SING,C28,H40,,,,,4005,bmse000194,1
36,covalent,DOUB,C31,O35,,,,,4005,bmse000194,1
37,covalent,SING,C31,O36,,,,,4005,bmse000194,1
38,covalent,SING,N32,H42,,,,,4005,bmse000194,1
39,covalent,SING,N32,H43,,,,,4005,bmse000194,1
40,covalent,DOUB,C30,O33,,,,,4005,bmse000194,1
41,covalent,SING,C30,O34,,,,,4005,bmse000194,1
42,covalent,SING,O36,H45,,,,,4005,bmse000194,1
43,covalent,SING,O34,H44,,,,,4005,bmse000194,1
1,covalent,SING,C6,N9,,,,,4027,bmse000195,1
2,covalent,SING,C6,C7,,,,,4027,bmse000195,1
3,covalent,SING,C6,C3,,,,,4027,bmse000195,1
4,covalent,SING,C6,H22,,,,,4027,bmse000195,1
5,covalent,SING,N9,C5,,,,,4027,bmse000195,1
6,covalent,SING,N9,H25,,,,,4027,bmse000195,1
7,covalent,SING,C7,O11,,,,,4027,bmse000195,1
8,covalent,DOUB,C7,O12,,,,,4027,bmse000195,1
9,covalent,SING,C3,C2,,,,,4027,bmse000195,1
10,covalent,SING,C3,H18,,,,,4027,bmse000195,1
11,covalent,SING,C3,H19,,,,,4027,bmse000195,1
12,covalent,SING,C5,C1,,,,,4027,bmse000195,1
13,covalent,DOUB,C5,O10,,,,,4027,bmse000195,1
14,covalent,SING,O11,H26,,,,,4027,bmse000195,1
15,covalent,SING,C2,C4,,,,,4027,bmse000195,1
16,covalent,SING,C2,H16,,,,,4027,bmse000195,1
17,covalent,SING,C2,H17,,,,,4027,bmse000195,1
18,covalent,SING,C1,H13,,,,,4027,bmse000195,1
19,covalent,SING,C1,H15,,,,,4027,bmse000195,1
20,covalent,SING,C1,H14,,,,,4027,bmse000195,1
21,covalent,SING,C4,N8,,,,,4027,bmse000195,1
22,covalent,SING,C4,H20,,,,,4027,bmse000195,1
23,covalent,SING,C4,H21,,,,,4027,bmse000195,1
24,covalent,SING,N8,H23,,,,,4027,bmse000195,1
25,covalent,SING,N8,H24,,,,,4027,bmse000195,1
1,covalent,SING,C6,C8,,,,,4049,bmse000196,1
2,covalent,SING,C6,C9,,,,,4049,bmse000196,1
3,covalent,SING,C6,N10,,,,,4049,bmse000196,1
4,covalent,SING,C6,H26,,,,,4049,bmse000196,1
5,covalent,SING,C8,C7,,,,,4049,bmse000196,1
6,covalent,SING,C8,O14,,,,,4049,bmse000196,1
7,covalent,SING,C8,H28,,,,,4049,bmse000196,1
8,covalent,SING,C9,O16,,,,,4049,bmse000196,1
9,covalent,SING,C9,O15,,,,,4049,bmse000196,1
10,covalent,SING,C9,H29,,,,,4049,bmse000196,1
11,covalent,SING,O16,C5,,,,,4049,bmse000196,1
12,covalent,SING,C7,C5,,,,,4049,bmse000196,1
13,covalent,SING,C7,O13,,,,,4049,bmse000196,1
14,covalent,SING,C7,H27,,,,,4049,bmse000196,1
15,covalent,SING,C5,C3,,,,,4049,bmse000196,1
16,covalent,SING,C5,H25,,,,,4049,bmse000196,1
17,covalent,SING,N10,C4,,,,,4049,bmse000196,1
18,covalent,SING,N10,H30,,,,,4049,bmse000196,1
19,covalent,DOUB,C4,O12,,,,,4049,bmse000196,1
20,covalent,SING,C4,C1,,,,,4049,bmse000196,1
21,covalent,SING,O14,H33,,,,,4049,bmse000196,1
22,covalent,SING,O13,H32,,,,,4049,bmse000196,1
23,covalent,SING,O15,C2,,,,,4049,bmse000196,1
24,covalent,SING,C3,O11,,,,,4049,bmse000196,1
25,covalent,SING,C3,H23,,,,,4049,bmse000196,1
26,covalent,SING,C3,H24,,,,,4049,bmse000196,1
27,covalent,SING,O11,H31,,,,,4049,bmse000196,1
28,covalent,SING,C1,H18,,,,,4049,bmse000196,1
29,covalent,SING,C1,H17,,,,,4049,bmse000196,1
30,covalent,SING,C1,H19,,,,,4049,bmse000196,1
31,covalent,SING,C2,H20,,,,,4049,bmse000196,1
32,covalent,SING,C2,H21,,,,,4049,bmse000196,1
33,covalent,SING,C2,H22,,,,,4049,bmse000196,1
1,covalent,SING,C6,C5,,,,,4071,bmse000198,1
2,covalent,SING,C6,O11,,,,,4071,bmse000198,1
3,covalent,DOUB,C6,O12,,,,,4071,bmse000198,1
4,covalent,SING,C5,C4,,,,,4071,bmse000198,1
5,covalent,SING,C5,O10,,,,,4071,bmse000198,1
6,covalent,SING,C5,H23,,,,,4071,bmse000198,1
7,covalent,SING,C4,C3,,,,,4071,bmse000198,1
8,covalent,SING,C4,O9,,,,,4071,bmse000198,1
9,covalent,SING,C4,H22,,,,,4071,bmse000198,1
10,covalent,SING,C3,C2,,,,,4071,bmse000198,1
11,covalent,SING,C3,O8,,,,,4071,bmse000198,1
12,covalent,SING,C3,H21,,,,,4071,bmse000198,1
13,covalent,SING,C2,C1,,,,,4071,bmse000198,1
14,covalent,SING,C2,O7,,,,,4071,bmse000198,1
15,covalent,SING,C2,H20,,,,,4071,bmse000198,1
16,covalent,SING,C1,O16,,,,,4071,bmse000198,1
17,covalent,SING,C1,H18,,,,,4071,bmse000198,1
18,covalent,SING,C1,H19,,,,,4071,bmse000198,1
19,covalent,SING,O11,H28,,,,,4071,bmse000198,1
20,covalent,SING,O10,H27,,,,,4071,bmse000198,1
21,covalent,SING,O9,H26,,,,,4071,bmse000198,1
22,covalent,SING,O8,H25,,,,,4071,bmse000198,1
23,covalent,SING,O7,H24,,,,,4071,bmse000198,1
24,covalent,SING,O16,P17,,,,,4071,bmse000198,1
25,covalent,DOUB,P17,O13,,,,,4071,bmse000198,1
26,covalent,SING,P17,O14,,,,,4071,bmse000198,1
27,covalent,SING,P17,O15,,,,,4071,bmse000198,1
28,covalent,SING,O14,H29,,,,,4071,bmse000198,1
29,covalent,SING,O15,H30,,,,,4071,bmse000198,1
1,covalent,DOUB,C3,C2,,,,,4093,bmse000199,1
2,covalent,SING,C3,C5,,,,,4093,bmse000199,1
3,covalent,SING,C3,C1,,,,,4093,bmse000199,1
4,covalent,SING,C2,C4,,,,,4093,bmse000199,1
5,covalent,SING,C2,H13,,,,,4093,bmse000199,1
6,covalent,DOUB,C5,O8,,,,,4093,bmse000199,1
7,covalent,SING,C5,O9,,,,,4093,bmse000199,1
8,covalent,SING,O9,H15,,,,,4093,bmse000199,1
9,covalent,DOUB,C4,O6,,,,,4093,bmse000199,1
10,covalent,SING,C4,O7,,,,,4093,bmse000199,1
11,covalent,SING,O7,H14,,,,,4093,bmse000199,1
12,covalent,SING,C1,H10,,,,,4093,bmse000199,1
13,covalent,SING,C1,H11,,,,,4093,bmse000199,1
14,covalent,SING,C1,H12,,,,,4093,bmse000199,1
1,covalent,DOUB,C1,C2,,,,,4115,bmse000200,1
2,covalent,SING,C1,C6,,,,,4115,bmse000200,1
3,covalent,SING,C1,H13,,,,,4115,bmse000200,1
4,covalent,SING,C2,C7,,,,,4115,bmse000200,1
5,covalent,SING,C2,H14,,,,,4115,bmse000200,1
6,covalent,DOUB,C3,C6,,,,,4115,bmse000200,1
7,covalent,SING,C3,C5,,,,,4115,bmse000200,1
8,covalent,SING,C3,H15,,,,,4115,bmse000200,1
9,covalent,SING,C4,C5,,,,,4115,bmse000200,1
10,covalent,SING,C4,C8,,,,,4115,bmse000200,1
11,covalent,SING,C4,H16,,,,,4115,bmse000200,1
12,covalent,SING,C4,H17,,,,,4115,bmse000200,1
13,covalent,SING,C6,O9,,,,,4115,bmse000200,1
14,covalent,DOUB,C7,C5,,,,,4115,bmse000200,1
15,covalent,SING,C7,O10,,,,,4115,bmse000200,1
16,covalent,SING,C8,O11,,,,,4115,bmse000200,1
17,covalent,DOUB,C8,O12,,,,,4115,bmse000200,1
18,covalent,SING,O9,H18,,,,,4115,bmse000200,1
19,covalent,SING,O10,H19,,,,,4115,bmse000200,1
20,covalent,SING,O11,H20,,,,,4115,bmse000200,1
1,covalent,SING,C15,C14,,,,,4137,bmse000201,1
2,covalent,SING,C15,O32,,,,,4137,bmse000201,1
3,covalent,SING,C15,C4,,,,,4137,bmse000201,1
4,covalent,SING,C15,H51,,,,,4137,bmse000201,1
5,covalent,SING,C14,C16,,,,,4137,bmse000201,1
6,covalent,SING,C14,O29,,,,,4137,bmse000201,1
7,covalent,SING,C14,H50,,,,,4137,bmse000201,1
8,covalent,SING,O32,C17,,,,,4137,bmse000201,1
9,covalent,SING,C4,C1,,,,,4137,bmse000201,1
10,covalent,SING,C4,N20,,,,,4137,bmse000201,1
11,covalent,SING,C4,H40,,,,,4137,bmse000201,1
12,covalent,SING,C16,O33,,,,,4137,bmse000201,1
13,covalent,SING,C16,C5,,,,,4137,bmse000201,1
14,covalent,SING,C16,H52,,,,,4137,bmse000201,1
15,covalent,SING,O29,H69,,,,,4137,bmse000201,1
16,covalent,SING,C17,O31,,,,,4137,bmse000201,1
17,covalent,SING,C17,C11,,,,,4137,bmse000201,1
18,covalent,SING,C17,H53,,,,,4137,bmse000201,1
19,covalent,SING,C1,C5,,,,,4137,bmse000201,1
20,covalent,SING,C1,H34,,,,,4137,bmse000201,1
21,covalent,SING,C1,H35,,,,,4137,bmse000201,1
22,covalent,SING,N20,H57,,,,,4137,bmse000201,1
23,covalent,SING,N20,H58,,,,,4137,bmse000201,1
24,covalent,SING,O33,C18,,,,,4137,bmse000201,1
25,covalent,SING,C5,N21,,,,,4137,bmse000201,1
26,covalent,SING,C5,H41,,,,,4137,bmse000201,1
27,covalent,SING,O31,C7,,,,,4137,bmse000201,1
28,covalent,SING,C11,C8,,,,,4137,bmse000201,1
29,covalent,SING,C11,O26,,,,,4137,bmse000201,1
30,covalent,SING,C11,H47,,,,,4137,bmse000201,1
31,covalent,SING,C18,O30,,,,,4137,bmse000201,1
32,covalent,SING,C18,C13,,,,,4137,bmse000201,1
33,covalent,SING,C18,H54,,,,,4137,bmse000201,1
34,covalent,SING,N21,H59,,,,,4137,bmse000201,1
35,covalent,SING,N21,H60,,,,,4137,bmse000201,1
36,covalent,SING,C7,C9,,,,,4137,bmse000201,1
37,covalent,SING,C7,C3,,,,,4137,bmse000201,1
38,covalent,SING,C7,H43,,,,,4137,bmse000201,1
39,covalent,SING,C8,C9,,,,,4137,bmse000201,1
40,covalent,SING,C8,N22,,,,,4137,bmse000201,1
41,covalent,SING,C8,H44,,,,,4137,bmse000201,1
42,covalent,SING,O26,H66,,,,,4137,bmse000201,1
43,covalent,SING,O30,C6,,,,,4137,bmse000201,1
44,covalent,SING,C13,C12,,,,,4137,bmse000201,1
45,covalent,SING,C13,O28,,,,,4137,bmse000201,1
46,covalent,SING,C13,H49,,,,,4137,bmse000201,1
47,covalent,SING,C9,O24,,,,,4137,bmse000201,1
48,covalent,SING,C9,H45,,,,,4137,bmse000201,1
49,covalent,SING,C3,O23,,,,,4137,bmse000201,1
50,covalent,SING,C3,H38,,,,,4137,bmse000201,1
51,covalent,SING,C3,H39,,,,,4137,bmse000201,1
52,covalent,SING,N22,H61,,,,,4137,bmse000201,1
53,covalent,SING,N22,H62,,,,,4137,bmse000201,1
54,covalent,SING,C6,C10,,,,,4137,bmse000201,1
55,covalent,SING,C6,C2,,,,,4137,bmse000201,1
56,covalent,SING,C6,H42,,,,,4137,bmse000201,1
57,covalent,SING,C12,C10,,,,,4137,bmse000201,1
58,covalent,SING,C12,O27,,,,,4137,bmse000201,1
59,covalent,SING,C12,H48,,,,,4137,bmse000201,1
60,covalent,SING,O28,H68,,,,,4137,bmse000201,1
61,covalent,SING,O24,H64,,,,,4137,bmse000201,1
62,covalent,SING,O23,H63,,,,,4137,bmse000201,1
63,covalent,SING,C10,O25,,,,,4137,bmse000201,1
64,covalent,SING,C10,H46,,,,,4137,bmse000201,1
65,covalent,SING,C2,N19,,,,,4137,bmse000201,1
66,covalent,SING,C2,H36,,,,,4137,bmse000201,1
67,covalent,SING,C2,H37,,,,,4137,bmse000201,1
68,covalent,SING,O27,H67,,,,,4137,bmse000201,1
69,covalent,SING,O25,H65,,,,,4137,bmse000201,1
70,covalent,SING,N19,H55,,,,,4137,bmse000201,1
71,covalent,SING,N19,H56,,,,,4137,bmse000201,1
1,covalent,SING,S15,C8,,,,,4160,bmse000202,1
2,covalent,DOUB,S15,O12,,,,,4160,bmse000202,1
3,covalent,DOUB,S15,O13,,,,,4160,bmse000202,1
4,covalent,SING,S15,O14,,,,,4160,bmse000202,1
5,covalent,SING,C8,C6,,,,,4160,bmse000202,1
6,covalent,SING,C8,H30,,,,,4160,bmse000202,1
7,covalent,SING,C8,H31,,,,,4160,bmse000202,1
8,covalent,SING,C6,N10,,,,,4160,bmse000202,1
9,covalent,SING,C6,H26,,,,,4160,bmse000202,1
10,covalent,SING,C6,H27,,,,,4160,bmse000202,1
11,covalent,SING,N10,C3,,,,,4160,bmse000202,1
12,covalent,SING,N10,C4,,,,,4160,bmse000202,1
13,covalent,SING,C3,C1,,,,,4160,bmse000202,1
14,covalent,SING,C3,H20,,,,,4160,bmse000202,1
15,covalent,SING,C3,H21,,,,,4160,bmse000202,1
16,covalent,SING,C4,C2,,,,,4160,bmse000202,1
17,covalent,SING,C4,H22,,,,,4160,bmse000202,1
18,covalent,SING,C4,H23,,,,,4160,bmse000202,1
19,covalent,SING,C1,N9,,,,,4160,bmse000202,1
20,covalent,SING,C1,H16,,,,,4160,bmse000202,1
21,covalent,SING,C1,H17,,,,,4160,bmse000202,1
22,covalent,SING,C2,N9,,,,,4160,bmse000202,1
23,covalent,SING,C2,H18,,,,,4160,bmse000202,1
24,covalent,SING,C2,H19,,,,,4160,bmse000202,1
25,covalent,SING,N9,C5,,,,,4160,bmse000202,1
26,covalent,SING,N9,H32,,,,,4160,bmse000202,1
27,covalent,SING,C5,C7,,,,,4160,bmse000202,1
28,covalent,SING,C5,H24,,,,,4160,bmse000202,1
29,covalent,SING,C5,H25,,,,,4160,bmse000202,1
30,covalent,SING,C7,O11,,,,,4160,bmse000202,1
31,covalent,SING,C7,H28,,,,,4160,bmse000202,1
32,covalent,SING,C7,H29,,,,,4160,bmse000202,1
33,covalent,SING,O11,H33,,,,,4160,bmse000202,1
1,covalent,DOUB,C1,O2,,,,,4182,bmse000203,1
2,covalent,SING,C1,O3,,,,,4182,bmse000203,1
3,covalent,SING,C1,H4,,,,,4182,bmse000203,1
4,covalent,SING,O3,H5,,,,,4182,bmse000203,1
1,covalent,SING,P14,O12,,,,,4204,bmse000204,1
2,covalent,SING,P14,O9,,,,,4204,bmse000204,1
3,covalent,SING,P14,O10,,,,,4204,bmse000204,1
4,covalent,DOUB,P14,O11,,,,,4204,bmse000204,1
5,covalent,SING,O12,C1,,,,,4204,bmse000204,1
6,covalent,SING,O9,H24,,,,,4204,bmse000204,1
7,covalent,SING,O10,H25,,,,,4204,bmse000204,1
8,covalent,SING,C2,C1,,,,,4204,bmse000204,1
9,covalent,SING,C1,H15,,,,,4204,bmse000204,1
10,covalent,SING,C1,H16,,,,,4204,bmse000204,1
11,covalent,SING,C2,C3,,,,,4204,bmse000204,1
12,covalent,SING,C2,O13,,,,,4204,bmse000204,1
13,covalent,SING,C2,H17,,,,,4204,bmse000204,1
14,covalent,SING,C3,C4,,,,,4204,bmse000204,1
15,covalent,SING,C3,O6,,,,,4204,bmse000204,1
16,covalent,SING,C3,H18,,,,,4204,bmse000204,1
17,covalent,SING,O13,C5,,,,,4204,bmse000204,1
18,covalent,SING,C4,C5,,,,,4204,bmse000204,1
19,covalent,SING,C4,O7,,,,,4204,bmse000204,1
20,covalent,SING,C4,H19,,,,,4204,bmse000204,1
21,covalent,SING,O6,H21,,,,,4204,bmse000204,1
22,covalent,SING,C5,O8,,,,,4204,bmse000204,1
23,covalent,SING,C5,H20,,,,,4204,bmse000204,1
24,covalent,SING,O7,H22,,,,,4204,bmse000204,1
25,covalent,SING,O8,H23,,,,,4204,bmse000204,1
1,covalent,SING,C1,C3,,,,,4225,bmse000205,1
2,covalent,SING,C1,H20,,,,,4225,bmse000205,1
3,covalent,SING,C1,H22,,,,,4225,bmse000205,1
4,covalent,SING,C1,H21,,,,,4225,bmse000205,1
5,covalent,DOUB,C3,O10,,,,,4225,bmse000205,1
6,covalent,SING,C3,N9,,,,,4225,bmse000205,1
7,covalent,SING,N9,C5,,,,,4225,bmse000205,1
8,covalent,SING,N9,H30,,,,,4225,bmse000205,1
9,covalent,SING,C5,C7,,,,,4225,bmse000205,1
10,covalent,SING,C5,C8,,,,,4225,bmse000205,1
11,covalent,SING,C5,H26,,,,,4225,bmse000205,1
12,covalent,SING,C7,C6,,,,,4225,bmse000205,1
13,covalent,SING,C7,O12,,,,,4225,bmse000205,1
14,covalent,SING,C7,H28,,,,,4225,bmse000205,1
15,covalent,SING,C6,C4,,,,,4225,bmse000205,1
16,covalent,SING,C6,O11,,,,,4225,bmse000205,1
17,covalent,SING,C6,H27,,,,,4225,bmse000205,1
18,covalent,SING,C4,O18,,,,,4225,bmse000205,1
19,covalent,SING,C4,C2,,,,,4225,bmse000205,1
20,covalent,SING,C4,H25,,,,,4225,bmse000205,1
21,covalent,SING,O18,C8,,,,,4225,bmse000205,1
22,covalent,SING,C8,O13,,,,,4225,bmse000205,1
23,covalent,SING,C8,H29,,,,,4225,bmse000205,1
24,covalent,SING,O13,H33,,,,,4225,bmse000205,1
25,covalent,SING,C2,O17,,,,,4225,bmse000205,1
26,covalent,SING,C2,H23,,,,,4225,bmse000205,1
27,covalent,SING,C2,H24,,,,,4225,bmse000205,1
28,covalent,SING,O17,P19,,,,,4225,bmse000205,1
29,covalent,DOUB,P19,O14,,,,,4225,bmse000205,1
30,covalent,SING,P19,O15,,,,,4225,bmse000205,1
31,covalent,SING,P19,O16,,,,,4225,bmse000205,1
32,covalent,SING,O15,H34,,,,,4225,bmse000205,1
33,covalent,SING,O16,H35,,,,,4225,bmse000205,1
34,covalent,SING,O11,H31,,,,,4225,bmse000205,1
35,covalent,SING,O12,H32,,,,,4225,bmse000205,1
1,covalent,SING,C1,N10,,,,,4247,bmse000206,1
2,covalent,SING,C1,H15,,,,,4247,bmse000206,1
3,covalent,SING,C1,H16,,,,,4247,bmse000206,1
4,covalent,SING,C1,H17,,,,,4247,bmse000206,1
5,covalent,SING,C2,N11,,,,,4247,bmse000206,1
6,covalent,SING,C2,H19,,,,,4247,bmse000206,1
7,covalent,SING,C2,H20,,,,,4247,bmse000206,1
8,covalent,SING,C2,H18,,,,,4247,bmse000206,1
9,covalent,SING,C3,N12,,,,,4247,bmse000206,1
10,covalent,SING,C3,H22,,,,,4247,bmse000206,1
11,covalent,SING,C3,H23,,,,,4247,bmse000206,1
12,covalent,SING,C3,H21,,,,,4247,bmse000206,1
13,covalent,DOUB,C4,N9,,,,,4247,bmse000206,1
14,covalent,SING,C4,N10,,,,,4247,bmse000206,1
15,covalent,SING,C4,H24,,,,,4247,bmse000206,1
16,covalent,DOUB,C5,C6,,,,,4247,bmse000206,1
17,covalent,SING,C5,C7,,,,,4247,bmse000206,1
18,covalent,SING,C5,N10,,,,,4247,bmse000206,1
19,covalent,SING,C6,N9,,,,,4247,bmse000206,1
20,covalent,SING,C6,N11,,,,,4247,bmse000206,1
21,covalent,SING,C7,N12,,,,,4247,bmse000206,1
22,covalent,DOUB,C7,O13,,,,,4247,bmse000206,1
23,covalent,SING,C8,N11,,,,,4247,bmse000206,1
24,covalent,SING,C8,N12,,,,,4247,bmse000206,1
25,covalent,DOUB,C8,O14,,,,,4247,bmse000206,1
1,covalent,DOUB,C1,C2,,,,,4269,bmse000207,1
2,covalent,SING,C1,C3,,,,,4269,bmse000207,1
3,covalent,SING,C1,H13,,,,,4269,bmse000207,1
4,covalent,SING,C2,C4,,,,,4269,bmse000207,1
5,covalent,SING,C2,H14,,,,,4269,bmse000207,1
6,covalent,DOUB,C3,C9,,,,,4269,bmse000207,1
7,covalent,SING,C3,H15,,,,,4269,bmse000207,1
8,covalent,DOUB,C4,C10,,,,,4269,bmse000207,1
9,covalent,SING,C4,H16,,,,,4269,bmse000207,1
10,covalent,DOUB,C7,C8,,,,,4269,bmse000207,1
11,covalent,SING,C7,N12,,,,,4269,bmse000207,1
12,covalent,SING,C7,H21,,,,,4269,bmse000207,1
13,covalent,SING,C5,C6,,,,,4269,bmse000207,1
14,covalent,SING,C5,C8,,,,,4269,bmse000207,1
15,covalent,SING,C5,H17,,,,,4269,bmse000207,1
16,covalent,SING,C5,H18,,,,,4269,bmse000207,1
17,covalent,SING,C6,N11,,,,,4269,bmse000207,1
18,covalent,SING,C6,H19,,,,,4269,bmse000207,1
19,covalent,SING,C6,H20,,,,,4269,bmse000207,1
20,covalent,SING,C9,C10,,,,,4269,bmse000207,1
21,covalent,SING,C9,C8,,,,,4269,bmse000207,1
22,covalent,SING,C10,N12,,,,,4269,bmse000207,1
23,covalent,SING,N11,H22,,,,,4269,bmse000207,1
24,covalent,SING,N11,H23,,,,,4269,bmse000207,1
25,covalent,SING,N12,H24,,,,,4269,bmse000207,1
1,covalent,SING,C3,C2,,,,,4291,bmse000208,1
2,covalent,DOUB,C3,O5,,,,,4291,bmse000208,1
3,covalent,SING,C3,O6,,,,,4291,bmse000208,1
4,covalent,SING,C2,C1,,,,,4291,bmse000208,1
5,covalent,SING,C2,O4,,,,,4291,bmse000208,1
6,covalent,SING,C2,H10,,,,,4291,bmse000208,1
7,covalent,SING,C1,H7,,,,,4291,bmse000208,1
8,covalent,SING,C1,H9,,,,,4291,bmse000208,1
9,covalent,SING,C1,H8,,,,,4291,bmse000208,1
10,covalent,SING,O4,H11,,,,,4291,bmse000208,1
11,covalent,SING,O6,H12,,,,,4291,bmse000208,1
1,covalent,DOUB,C6,O12,,,,,4313,bmse000209,1
2,covalent,SING,C6,N9,,,,,4313,bmse000209,1
3,covalent,SING,C6,N8,,,,,4313,bmse000209,1
4,covalent,DOUB,C5,O10,,,,,4313,bmse000209,1
5,covalent,SING,C5,C4,,,,,4313,bmse000209,1
6,covalent,SING,C5,O11,,,,,4313,bmse000209,1
7,covalent,SING,N9,C3,,,,,4313,bmse000209,1
8,covalent,SING,N9,H24,,,,,4313,bmse000209,1
9,covalent,SING,C4,N7,,,,,4313,bmse000209,1
10,covalent,SING,C4,C2,,,,,4313,bmse000209,1
11,covalent,SING,C4,H19,,,,,4313,bmse000209,1
12,covalent,SING,N8,H22,,,,,4313,bmse000209,1
13,covalent,SING,N8,H23,,,,,4313,bmse000209,1
14,covalent,SING,O11,H25,,,,,4313,bmse000209,1
15,covalent,SING,N7,H20,,,,,4313,bmse000209,1
16,covalent,SING,N7,H21,,,,,4313,bmse000209,1
17,covalent,SING,C3,C1,,,,,4313,bmse000209,1
18,covalent,SING,C3,H17,,,,,4313,bmse000209,1
19,covalent,SING,C3,H18,,,,,4313,bmse000209,1
20,covalent,SING,C2,C1,,,,,4313,bmse000209,1
21,covalent,SING,C2,H15,,,,,4313,bmse000209,1
22,covalent,SING,C2,H16,,,,,4313,bmse000209,1
23,covalent,SING,C1,H13,,,,,4313,bmse000209,1
24,covalent,SING,C1,H14,,,,,4313,bmse000209,1
1,covalent,DOUB,C3,N13,,,,,4334,bmse000210,1
2,covalent,SING,C3,N15,,,,,4334,bmse000210,1
3,covalent,SING,C3,H36,,,,,4334,bmse000210,1
4,covalent,SING,C1,C4,,,,,4334,bmse000210,1
5,covalent,SING,C1,C6,,,,,4334,bmse000210,1
6,covalent,SING,C1,H32,,,,,4334,bmse000210,1
7,covalent,SING,C1,H33,,,,,4334,bmse000210,1
8,covalent,SING,C5,C2,,,,,4334,bmse000210,1
9,covalent,SING,C2,O25,,,,,4334,bmse000210,1
10,covalent,SING,C2,H34,,,,,4334,bmse000210,1
11,covalent,SING,C2,H35,,,,,4334,bmse000210,1
12,covalent,DOUB,C7,C8,,,,,4334,bmse000210,1
13,covalent,SING,C7,C9,,,,,4334,bmse000210,1
14,covalent,SING,C7,N13,,,,,4334,bmse000210,1
15,covalent,SING,C8,N12,,,,,4334,bmse000210,1
16,covalent,SING,C8,N15,,,,,4334,bmse000210,1
17,covalent,DOUB,C9,N14,,,,,4334,bmse000210,1
18,covalent,SING,C9,O16,,,,,4334,bmse000210,1
19,covalent,SING,C10,N11,,,,,4334,bmse000210,1
20,covalent,DOUB,C10,N12,,,,,4334,bmse000210,1
21,covalent,SING,C10,N14,,,,,4334,bmse000210,1
22,covalent,SING,C4,C5,,,,,4334,bmse000210,1
23,covalent,SING,C4,O18,,,,,4334,bmse000210,1
24,covalent,SING,C4,H37,,,,,4334,bmse000210,1
25,covalent,SING,C6,N15,,,,,4334,bmse000210,1
26,covalent,SING,C6,O26,,,,,4334,bmse000210,1
27,covalent,SING,C6,H39,,,,,4334,bmse000210,1
28,covalent,SING,C5,O26,,,,,4334,bmse000210,1
29,covalent,SING,C5,H38,,,,,4334,bmse000210,1
30,covalent,SING,N11,H40,,,,,4334,bmse000210,1
31,covalent,SING,N11,H41,,,,,4334,bmse000210,1
32,covalent,SING,O16,H42,,,,,4334,bmse000210,1
33,covalent,SING,O18,H43,,,,,4334,bmse000210,1
34,covalent,SING,O19,P29,,,,,4334,bmse000210,1
35,covalent,SING,O19,H44,,,,,4334,bmse000210,1
36,covalent,SING,O21,P29,,,,,4334,bmse000210,1
37,covalent,SING,O21,H45,,,,,4334,bmse000210,1
38,covalent,SING,O23,P30,,,,,4334,bmse000210,1
39,covalent,SING,O23,H46,,,,,4334,bmse000210,1
40,covalent,SING,O17,P31,,,,,4334,bmse000210,1
41,covalent,SING,O17,H47,,,,,4334,bmse000210,1
42,covalent,DOUB,O20,P29,,,,,4334,bmse000210,1
43,covalent,DOUB,O22,P30,,,,,4334,bmse000210,1
44,covalent,DOUB,O24,P31,,,,,4334,bmse000210,1
45,covalent,SING,O25,P30,,,,,4334,bmse000210,1
46,covalent,SING,O27,P29,,,,,4334,bmse000210,1
47,covalent,SING,O27,P31,,,,,4334,bmse000210,1
48,covalent,SING,O28,P30,,,,,4334,bmse000210,1
49,covalent,SING,O28,P31,,,,,4334,bmse000210,1
1,covalent,SING,C7,C4,,,,,4355,bmse000211,1
2,covalent,SING,C7,O10,,,,,4355,bmse000211,1
3,covalent,DOUB,C7,O11,,,,,4355,bmse000211,1
4,covalent,SING,C4,C6,,,,,4355,bmse000211,1
5,covalent,SING,C4,H21,,,,,4355,bmse000211,1
6,covalent,SING,C4,H22,,,,,4355,bmse000211,1
7,covalent,SING,N8,C5,,,,,4355,bmse000211,1
8,covalent,SING,N8,C1,,,,,4355,bmse000211,1
9,covalent,SING,N8,C2,,,,,4355,bmse000211,1
10,covalent,SING,N8,C3,,,,,4355,bmse000211,1
11,covalent,SING,C6,C5,,,,,4355,bmse000211,1
12,covalent,SING,C6,O9,,,,,4355,bmse000211,1
13,covalent,SING,C6,H25,,,,,4355,bmse000211,1
14,covalent,SING,C5,H23,,,,,4355,bmse000211,1
15,covalent,SING,C5,H24,,,,,4355,bmse000211,1
16,covalent,SING,O9,H26,,,,,4355,bmse000211,1
17,covalent,SING,C1,H13,,,,,4355,bmse000211,1
18,covalent,SING,C1,H12,,,,,4355,bmse000211,1
19,covalent,SING,C1,H14,,,,,4355,bmse000211,1
20,covalent,SING,C2,H16,,,,,4355,bmse000211,1
21,covalent,SING,C2,H15,,,,,4355,bmse000211,1
22,covalent,SING,C2,H17,,,,,4355,bmse000211,1
23,covalent,SING,C3,H18,,,,,4355,bmse000211,1
24,covalent,SING,C3,H19,,,,,4355,bmse000211,1
25,covalent,SING,C3,H20,,,,,4355,bmse000211,1
1,covalent,DOUB,C1,C2,,,,,4376,bmse000212,1
2,covalent,SING,C1,C3,,,,,4376,bmse000212,1
3,covalent,SING,C1,H9,,,,,4376,bmse000212,1
4,covalent,SING,C2,C4,,,,,4376,bmse000212,1
5,covalent,SING,C2,H10,,,,,4376,bmse000212,1
6,covalent,SING,C3,O5,,,,,4376,bmse000212,1
7,covalent,DOUB,C3,O6,,,,,4376,bmse000212,1
8,covalent,SING,C4,O7,,,,,4376,bmse000212,1
9,covalent,DOUB,C4,O8,,,,,4376,bmse000212,1
10,covalent,SING,O5,H11,,,,,4376,bmse000212,1
11,covalent,SING,O7,H12,,,,,4376,bmse000212,1
1,covalent,SING,C5,C4,,,,,4399,bmse000213,1
2,covalent,SING,C5,O9,,,,,4399,bmse000213,1
3,covalent,SING,C5,O10,,,,,4399,bmse000213,1
4,covalent,SING,C5,H16,,,,,4399,bmse000213,1
5,covalent,SING,C4,C3,,,,,4399,bmse000213,1
6,covalent,SING,C4,O8,,,,,4399,bmse000213,1
7,covalent,SING,C4,H15,,,,,4399,bmse000213,1
8,covalent,SING,C3,C2,,,,,4399,bmse000213,1
9,covalent,SING,C3,O7,,,,,4399,bmse000213,1
10,covalent,SING,C3,H14,,,,,4399,bmse000213,1
11,covalent,SING,C2,C1,,,,,4399,bmse000213,1
12,covalent,SING,C2,O6,,,,,4399,bmse000213,1
13,covalent,SING,C2,H13,,,,,4399,bmse000213,1
14,covalent,SING,C1,O10,,,,,4399,bmse000213,1
15,covalent,SING,C1,H11,,,,,4399,bmse000213,1
16,covalent,SING,C1,H12,,,,,4399,bmse000213,1
17,covalent,SING,O9,H20,,,,,4399,bmse000213,1
18,covalent,SING,O8,H19,,,,,4399,bmse000213,1
19,covalent,SING,O7,H18,,,,,4399,bmse000213,1
20,covalent,SING,O6,H17,,,,,4399,bmse000213,1
1,covalent,SING,C4,C2,,,,,4421,bmse000216,1
2,covalent,SING,C4,O13,,,,,4421,bmse000216,1
3,covalent,SING,C4,C5,,,,,4421,bmse000216,1
4,covalent,SING,C4,H17,,,,,4421,bmse000216,1
5,covalent,SING,C2,C1,,,,,4421,bmse000216,1
6,covalent,SING,C2,O8,,,,,4421,bmse000216,1
7,covalent,SING,C2,H15,,,,,4421,bmse000216,1
8,covalent,SING,O13,C6,,,,,4421,bmse000216,1
9,covalent,SING,C5,O10,,,,,4421,bmse000216,1
10,covalent,DOUB,C5,O11,,,,,4421,bmse000216,1
11,covalent,SING,C1,C3,,,,,4421,bmse000216,1
12,covalent,SING,C1,O7,,,,,4421,bmse000216,1
13,covalent,SING,C1,H14,,,,,4421,bmse000216,1
14,covalent,SING,O8,H20,,,,,4421,bmse000216,1
15,covalent,SING,C6,C3,,,,,4421,bmse000216,1
16,covalent,SING,C6,O12,,,,,4421,bmse000216,1
17,covalent,SING,C6,H18,,,,,4421,bmse000216,1
18,covalent,SING,O10,H22,,,,,4421,bmse000216,1
19,covalent,SING,C3,O9,,,,,4421,bmse000216,1
20,covalent,SING,C3,H16,,,,,4421,bmse000216,1
21,covalent,SING,O7,H19,,,,,4421,bmse000216,1
22,covalent,SING,O12,H23,,,,,4421,bmse000216,1
23,covalent,SING,O9,H21,,,,,4421,bmse000216,1
1,covalent,DOUB,C1,C2,,,,,4443,bmse000219,1
2,covalent,SING,C1,C3,,,,,4443,bmse000219,1
3,covalent,SING,C1,H13,,,,,4443,bmse000219,1
4,covalent,SING,C2,C4,,,,,4443,bmse000219,1
5,covalent,SING,C2,H14,,,,,4443,bmse000219,1
6,covalent,DOUB,C3,N8,,,,,4443,bmse000219,1
7,covalent,SING,C3,H15,,,,,4443,bmse000219,1
8,covalent,DOUB,C4,C5,,,,,4443,bmse000219,1
9,covalent,SING,C4,C6,,,,,4443,bmse000219,1
10,covalent,SING,C5,C7,,,,,4443,bmse000219,1
11,covalent,SING,C5,N8,,,,,4443,bmse000219,1
12,covalent,SING,C6,O9,,,,,4443,bmse000219,1
13,covalent,DOUB,C6,O10,,,,,4443,bmse000219,1
14,covalent,SING,C7,O11,,,,,4443,bmse000219,1
15,covalent,DOUB,C7,O12,,,,,4443,bmse000219,1
16,covalent,SING,O9,H16,,,,,4443,bmse000219,1
17,covalent,SING,O11,H17,,,,,4443,bmse000219,1
1,covalent,SING,H11,C1,,,,,4465,bmse000220,1
2,covalent,SING,H12,C2,,,,,4465,bmse000220,1
3,covalent,SING,H13,C3,,,,,4465,bmse000220,1
4,covalent,SING,H14,C4,,,,,4465,bmse000220,1
5,covalent,SING,H15,C5,,,,,4465,bmse000220,1
6,covalent,SING,H16,C6,,,,,4465,bmse000220,1
7,covalent,SING,H17,C6,,,,,4465,bmse000220,1
8,covalent,SING,H18,O10,,,,,4465,bmse000220,1
9,covalent,DOUB,C1,C2,,,,,4465,bmse000220,1
10,covalent,SING,C1,C3,,,,,4465,bmse000220,1
11,covalent,SING,C2,C4,,,,,4465,bmse000220,1
12,covalent,DOUB,C3,C5,,,,,4465,bmse000220,1
13,covalent,DOUB,C4,C7,,,,,4465,bmse000220,1
14,covalent,SING,C5,C7,,,,,4465,bmse000220,1
15,covalent,SING,C7,C6,,,,,4465,bmse000220,1
16,covalent,SING,C8,C6,,,,,4465,bmse000220,1
17,covalent,DOUB,C8,O9,,,,,4465,bmse000220,1
18,covalent,SING,C8,O10,,,,,4465,bmse000220,1
1,covalent,SING,C18,O34,,,,,4487,bmse000221,1
2,covalent,SING,C18,O33,,,,,4487,bmse000221,1
3,covalent,SING,C18,C15,,,,,4487,bmse000221,1
4,covalent,SING,C18,C4,,,,,4487,bmse000221,1
5,covalent,SING,O34,C17,,,,,4487,bmse000221,1
6,covalent,SING,O33,C6,,,,,4487,bmse000221,1
7,covalent,SING,C15,C10,,,,,4487,bmse000221,1
8,covalent,SING,C15,O29,,,,,4487,bmse000221,1
9,covalent,SING,C15,H53,,,,,4487,bmse000221,1
10,covalent,SING,C4,O21,,,,,4487,bmse000221,1
11,covalent,SING,C4,H41,,,,,4487,bmse000221,1
12,covalent,SING,C4,H42,,,,,4487,bmse000221,1
13,covalent,SING,C17,O32,,,,,4487,bmse000221,1
14,covalent,SING,C17,C14,,,,,4487,bmse000221,1
15,covalent,SING,C17,H55,,,,,4487,bmse000221,1
16,covalent,SING,C6,C10,,,,,4487,bmse000221,1
17,covalent,SING,C6,C2,,,,,4487,bmse000221,1
18,covalent,SING,C6,H44,,,,,4487,bmse000221,1
19,covalent,SING,C10,O24,,,,,4487,bmse000221,1
20,covalent,SING,C10,H48,,,,,4487,bmse000221,1
21,covalent,SING,O29,H66,,,,,4487,bmse000221,1
22,covalent,SING,O21,H58,,,,,4487,bmse000221,1
23,covalent,SING,O32,C7,,,,,4487,bmse000221,1
24,covalent,SING,C14,C12,,,,,4487,bmse000221,1
25,covalent,SING,C14,O28,,,,,4487,bmse000221,1
26,covalent,SING,C14,H52,,,,,4487,bmse000221,1
27,covalent,SING,C2,O20,,,,,4487,bmse000221,1
28,covalent,SING,C2,H37,,,,,4487,bmse000221,1
29,covalent,SING,C2,H38,,,,,4487,bmse000221,1
30,covalent,SING,O24,H61,,,,,4487,bmse000221,1
31,covalent,SING,C7,C3,,,,,4487,bmse000221,1
32,covalent,SING,C7,C9,,,,,4487,bmse000221,1
33,covalent,SING,C7,H45,,,,,4487,bmse000221,1
34,covalent,SING,C12,C9,,,,,4487,bmse000221,1
35,covalent,SING,C12,O26,,,,,4487,bmse000221,1
36,covalent,SING,C12,H50,,,,,4487,bmse000221,1
37,covalent,SING,O28,H65,,,,,4487,bmse000221,1
38,covalent,SING,O20,H57,,,,,4487,bmse000221,1
39,covalent,SING,C3,O30,,,,,4487,bmse000221,1
40,covalent,SING,C3,H39,,,,,4487,bmse000221,1
41,covalent,SING,C3,H40,,,,,4487,bmse000221,1
42,covalent,SING,C9,O23,,,,,4487,bmse000221,1
43,covalent,SING,C9,H47,,,,,4487,bmse000221,1
44,covalent,SING,O26,H63,,,,,4487,bmse000221,1
45,covalent,SING,C16,O30,,,,,4487,bmse000221,1
46,covalent,SING,O23,H60,,,,,4487,bmse000221,1
47,covalent,SING,C16,O31,,,,,4487,bmse000221,1
48,covalent,SING,C16,C13,,,,,4487,bmse000221,1
49,covalent,SING,C16,H54,,,,,4487,bmse000221,1
50,covalent,SING,O31,C5,,,,,4487,bmse000221,1
51,covalent,SING,C13,C11,,,,,4487,bmse000221,1
52,covalent,SING,C13,O27,,,,,4487,bmse000221,1
53,covalent,SING,C13,H51,,,,,4487,bmse000221,1
54,covalent,SING,C5,C8,,,,,4487,bmse000221,1
55,covalent,SING,C5,C1,,,,,4487,bmse000221,1
56,covalent,SING,C5,H43,,,,,4487,bmse000221,1
57,covalent,SING,C11,C8,,,,,4487,bmse000221,1
58,covalent,SING,C11,O25,,,,,4487,bmse000221,1
59,covalent,SING,C11,H49,,,,,4487,bmse000221,1
60,covalent,SING,O27,H64,,,,,4487,bmse000221,1
61,covalent,SING,C8,O22,,,,,4487,bmse000221,1
62,covalent,SING,C8,H46,,,,,4487,bmse000221,1
63,covalent,SING,C1,O19,,,,,4487,bmse000221,1
64,covalent,SING,C1,H35,,,,,4487,bmse000221,1
65,covalent,SING,C1,H36,,,,,4487,bmse000221,1
66,covalent,SING,O25,H62,,,,,4487,bmse000221,1
67,covalent,SING,O22,H59,,,,,4487,bmse000221,1
68,covalent,SING,O19,H56,,,,,4487,bmse000221,1
1,covalent,SING,C2,C3,,,,,4509,bmse000222,1
2,covalent,SING,C2,C1,,,,,4509,bmse000222,1
3,covalent,SING,C2,N4,,,,,4509,bmse000222,1
4,covalent,SING,C2,H10,,,,,4509,bmse000222,1
5,covalent,SING,C3,O6,,,,,4509,bmse000222,1
6,covalent,DOUB,C3,O7,,,,,4509,bmse000222,1
7,covalent,SING,C1,O5,,,,,4509,bmse000222,1
8,covalent,SING,C1,H8,,,,,4509,bmse000222,1
9,covalent,SING,C1,H9,,,,,4509,bmse000222,1
10,covalent,SING,N4,H11,,,,,4509,bmse000222,1
11,covalent,SING,N4,H12,,,,,4509,bmse000222,1
12,covalent,SING,O6,H14,,,,,4509,bmse000222,1
13,covalent,SING,O5,H13,,,,,4509,bmse000222,1
1,covalent,DOUB,C1,C3,,,,,4531,bmse000223,1
2,covalent,SING,C1,C5,,,,,4531,bmse000223,1
3,covalent,SING,C1,H11,,,,,4531,bmse000223,1
4,covalent,SING,C2,C4,,,,,4531,bmse000223,1
5,covalent,DOUB,C2,C5,,,,,4531,bmse000223,1
6,covalent,SING,C2,H12,,,,,4531,bmse000223,1
7,covalent,SING,C3,C6,,,,,4531,bmse000223,1
8,covalent,SING,C3,H13,,,,,4531,bmse000223,1
9,covalent,DOUB,C4,C6,,,,,4531,bmse000223,1
10,covalent,SING,C4,H14,,,,,4531,bmse000223,1
11,covalent,SING,C5,N7,,,,,4531,bmse000223,1
12,covalent,SING,C6,O8,,,,,4531,bmse000223,1
13,covalent,SING,N7,O9,,,,,4531,bmse000223,1
14,covalent,DOUB,N7,O10,,,,,4531,bmse000223,1
15,covalent,SING,O8,H15,,,,,4531,bmse000223,1
1,covalent,SING,N4,C1,,,,,4552,bmse000224,1
2,covalent,SING,N4,C2,,,,,4552,bmse000224,1
3,covalent,SING,N4,C3,,,,,4552,bmse000224,1
4,covalent,SING,C1,H7,,,,,4552,bmse000224,1
5,covalent,SING,C1,H5,,,,,4552,bmse000224,1
6,covalent,SING,C1,H6,,,,,4552,bmse000224,1
7,covalent,SING,C2,H10,,,,,4552,bmse000224,1
8,covalent,SING,C2,H8,,,,,4552,bmse000224,1
9,covalent,SING,C2,H9,,,,,4552,bmse000224,1
10,covalent,SING,C3,H13,,,,,4552,bmse000224,1
11,covalent,SING,C3,H11,,,,,4552,bmse000224,1
12,covalent,SING,C3,H12,,,,,4552,bmse000224,1
1,covalent,DOUB,O4,C1,,,,,4573,bmse000225,1
2,covalent,SING,C1,C3,,,,,4573,bmse000225,1
3,covalent,SING,C1,H7,,,,,4573,bmse000225,1
4,covalent,SING,C3,O6,,,,,4573,bmse000225,1
5,covalent,SING,C3,C2,,,,,4573,bmse000225,1
6,covalent,SING,C3,H10,,,,,4573,bmse000225,1
7,covalent,SING,O6,H12,,,,,4573,bmse000225,1
8,covalent,SING,O5,C2,,,,,4573,bmse000225,1
9,covalent,SING,O5,H11,,,,,4573,bmse000225,1
10,covalent,SING,C2,H8,,,,,4573,bmse000225,1
11,covalent,SING,C2,H9,,,,,4573,bmse000225,1
1,covalent,SING,C1,C10,,,,,4594,bmse000226,1
2,covalent,SING,C1,H56,,,,,4594,bmse000226,1
3,covalent,SING,C1,H55,,,,,4594,bmse000226,1
4,covalent,SING,C1,H54,,,,,4594,bmse000226,1
5,covalent,SING,C2,C11,,,,,4594,bmse000226,1
6,covalent,SING,C2,H58,,,,,4594,bmse000226,1
7,covalent,SING,C2,H59,,,,,4594,bmse000226,1
8,covalent,SING,C2,H57,,,,,4594,bmse000226,1
9,covalent,DOUB,C3,C10,,,,,4594,bmse000226,1
10,covalent,SING,C3,C12,,,,,4594,bmse000226,1
11,covalent,SING,C3,H60,,,,,4594,bmse000226,1
12,covalent,DOUB,C4,C11,,,,,4594,bmse000226,1
13,covalent,SING,C4,C13,,,,,4594,bmse000226,1
14,covalent,SING,C4,H61,,,,,4594,bmse000226,1
15,covalent,DOUB,C8,N29,,,,,4594,bmse000226,1
16,covalent,SING,C8,N30,,,,,4594,bmse000226,1
17,covalent,SING,C8,H68,,,,,4594,bmse000226,1
18,covalent,DOUB,C9,N31,,,,,4594,bmse000226,1
19,covalent,SING,C9,N36,,,,,4594,bmse000226,1
20,covalent,SING,C9,H69,,,,,4594,bmse000226,1
21,covalent,SING,C16,C7,,,,,4594,bmse000226,1
22,covalent,SING,C7,O49,,,,,4594,bmse000226,1
23,covalent,SING,C7,H66,,,,,4594,bmse000226,1
24,covalent,SING,C7,H67,,,,,4594,bmse000226,1
25,covalent,SING,C5,C14,,,,,4594,bmse000226,1
26,covalent,SING,C5,N35,,,,,4594,bmse000226,1
27,covalent,SING,C5,H62,,,,,4594,bmse000226,1
28,covalent,SING,C5,H63,,,,,4594,bmse000226,1
29,covalent,SING,C6,C15,,,,,4594,bmse000226,1
30,covalent,SING,C6,O48,,,,,4594,bmse000226,1
31,covalent,SING,C6,H64,,,,,4594,bmse000226,1
32,covalent,SING,C6,H65,,,,,4594,bmse000226,1
33,covalent,SING,C10,C11,,,,,4594,bmse000226,1
34,covalent,DOUB,C12,C13,,,,,4594,bmse000226,1
35,covalent,SING,C12,N32,,,,,4594,bmse000226,1
36,covalent,SING,C13,N35,,,,,4594,bmse000226,1
37,covalent,DOUB,C17,C22,,,,,4594,bmse000226,1
38,covalent,SING,C17,C23,,,,,4594,bmse000226,1
39,covalent,SING,C17,N31,,,,,4594,bmse000226,1
40,covalent,SING,C18,C25,,,,,4594,bmse000226,1
41,covalent,SING,C18,C24,,,,,4594,bmse000226,1
42,covalent,DOUB,C18,N32,,,,,4594,bmse000226,1
43,covalent,SING,C22,N28,,,,,4594,bmse000226,1
44,covalent,SING,C22,N29,,,,,4594,bmse000226,1
45,covalent,SING,C25,N34,,,,,4594,bmse000226,1
46,covalent,DOUB,C25,O42,,,,,4594,bmse000226,1
47,covalent,DOUB,C23,N30,,,,,4594,bmse000226,1
48,covalent,SING,C23,N36,,,,,4594,bmse000226,1
49,covalent,DOUB,C24,N33,,,,,4594,bmse000226,1
50,covalent,SING,C24,N35,,,,,4594,bmse000226,1
51,covalent,SING,C27,N34,,,,,4594,bmse000226,1
52,covalent,SING,C27,N33,,,,,4594,bmse000226,1
53,covalent,DOUB,C27,O43,,,,,4594,bmse000226,1
54,covalent,SING,C16,C20,,,,,4594,bmse000226,1
55,covalent,SING,C16,O50,,,,,4594,bmse000226,1
56,covalent,SING,C16,H72,,,,,4594,bmse000226,1
57,covalent,SING,C20,C21,,,,,4594,bmse000226,1
58,covalent,SING,C20,O40,,,,,4594,bmse000226,1
59,covalent,SING,C20,H74,,,,,4594,bmse000226,1
60,covalent,SING,C21,C26,,,,,4594,bmse000226,1
61,covalent,SING,C21,O41,,,,,4594,bmse000226,1
62,covalent,SING,C21,H75,,,,,4594,bmse000226,1
63,covalent,SING,C26,N36,,,,,4594,bmse000226,1
64,covalent,SING,C26,O50,,,,,4594,bmse000226,1
65,covalent,SING,C26,H76,,,,,4594,bmse000226,1
66,covalent,SING,C14,C19,,,,,4594,bmse000226,1
67,covalent,SING,C14,O37,,,,,4594,bmse000226,1
68,covalent,SING,C14,H70,,,,,4594,bmse000226,1
69,covalent,SING,C15,C19,,,,,4594,bmse000226,1
70,covalent,SING,C15,O38,,,,,4594,bmse000226,1
71,covalent,SING,C15,H71,,,,,4594,bmse000226,1
72,covalent,SING,C19,O39,,,,,4594,bmse000226,1
73,covalent,SING,C19,H73,,,,,4594,bmse000226,1
74,covalent,SING,N28,H77,,,,,4594,bmse000226,1
75,covalent,SING,N28,H78,,,,,4594,bmse000226,1
76,covalent,SING,N34,H79,,,,,4594,bmse000226,1
77,covalent,SING,O40,H83,,,,,4594,bmse000226,1
78,covalent,SING,O41,H84,,,,,4594,bmse000226,1
79,covalent,SING,O37,H80,,,,,4594,bmse000226,1
80,covalent,SING,O38,H81,,,,,4594,bmse000226,1
81,covalent,SING,O39,H82,,,,,4594,bmse000226,1
82,covalent,SING,O46,P53,,,,,4594,bmse000226,1
83,covalent,SING,O46,H86,,,,,4594,bmse000226,1
84,covalent,SING,O44,P52,,,,,4594,bmse000226,1
85,covalent,SING,O44,H85,,,,,4594,bmse000226,1
86,covalent,DOUB,O47,P53,,,,,4594,bmse000226,1
87,covalent,DOUB,O45,P52,,,,,4594,bmse000226,1
88,covalent,SING,O49,P53,,,,,4594,bmse000226,1
89,covalent,SING,O48,P52,,,,,4594,bmse000226,1
90,covalent,SING,O51,P53,,,,,4594,bmse000226,1
91,covalent,SING,O51,P52,,,,,4594,bmse000226,1
1,covalent,DOUB,C8,O13,,,,,4615,bmse000227,1
2,covalent,SING,C8,O14,,,,,4615,bmse000227,1
3,covalent,SING,C8,C4,,,,,4615,bmse000227,1
4,covalent,SING,O14,H32,,,,,4615,bmse000227,1
5,covalent,SING,C4,C2,,,,,4615,bmse000227,1
6,covalent,SING,C4,H23,,,,,4615,bmse000227,1
7,covalent,SING,C4,H24,,,,,4615,bmse000227,1
8,covalent,SING,C2,C1,,,,,4615,bmse000227,1
9,covalent,SING,C2,H19,,,,,4615,bmse000227,1
10,covalent,SING,C2,H20,,,,,4615,bmse000227,1
11,covalent,SING,C1,C3,,,,,4615,bmse000227,1
12,covalent,SING,C1,H17,,,,,4615,bmse000227,1
13,covalent,SING,C1,H18,,,,,4615,bmse000227,1
14,covalent,SING,C7,C3,,,,,4615,bmse000227,1
15,covalent,SING,C3,H21,,,,,4615,bmse000227,1
16,covalent,SING,C3,H22,,,,,4615,bmse000227,1
17,covalent,SING,C7,S16,,,,,4615,bmse000227,1
18,covalent,SING,C7,C9,,,,,4615,bmse000227,1
19,covalent,SING,C7,H28,,,,,4615,bmse000227,1
20,covalent,SING,S16,C5,,,,,4615,bmse000227,1
21,covalent,SING,C5,C6,,,,,4615,bmse000227,1
22,covalent,SING,C5,H25,,,,,4615,bmse000227,1
23,covalent,SING,C5,H26,,,,,4615,bmse000227,1
24,covalent,SING,C6,N11,,,,,4615,bmse000227,1
25,covalent,SING,C6,C9,,,,,4615,bmse000227,1
26,covalent,SING,C6,H27,,,,,4615,bmse000227,1
27,covalent,SING,N11,C10,,,,,4615,bmse000227,1
28,covalent,SING,N11,H30,,,,,4615,bmse000227,1
29,covalent,DOUB,C10,O15,,,,,4615,bmse000227,1
30,covalent,SING,C10,N12,,,,,4615,bmse000227,1
31,covalent,SING,N12,C9,,,,,4615,bmse000227,1
32,covalent,SING,N12,H31,,,,,4615,bmse000227,1
33,covalent,SING,C9,H29,,,,,4615,bmse000227,1
1,covalent,SING,C6,C3,,,,,4638,bmse000228,1
2,covalent,SING,C6,O12,,,,,4638,bmse000228,1
3,covalent,SING,C6,O13,,,,,4638,bmse000228,1
4,covalent,SING,C6,H18,,,,,4638,bmse000228,1
5,covalent,SING,C3,C1,,,,,4638,bmse000228,1
6,covalent,SING,C3,O9,,,,,4638,bmse000228,1
7,covalent,SING,C3,H16,,,,,4638,bmse000228,1
8,covalent,SING,C1,C2,,,,,4638,bmse000228,1
9,covalent,SING,C1,O7,,,,,4638,bmse000228,1
10,covalent,SING,C1,H14,,,,,4638,bmse000228,1
11,covalent,SING,C2,C4,,,,,4638,bmse000228,1
12,covalent,SING,C2,O8,,,,,4638,bmse000228,1
13,covalent,SING,C2,H15,,,,,4638,bmse000228,1
14,covalent,SING,C4,C5,,,,,4638,bmse000228,1
15,covalent,SING,C4,O13,,,,,4638,bmse000228,1
16,covalent,SING,C4,H17,,,,,4638,bmse000228,1
17,covalent,SING,C5,O10,,,,,4638,bmse000228,1
18,covalent,DOUB,C5,O11,,,,,4638,bmse000228,1
19,covalent,SING,O12,H23,,,,,4638,bmse000228,1
20,covalent,SING,O9,H21,,,,,4638,bmse000228,1
21,covalent,SING,O7,H19,,,,,4638,bmse000228,1
22,covalent,SING,O8,H20,,,,,4638,bmse000228,1
23,covalent,SING,O10,H22,,,,,4638,bmse000228,1
1,covalent,SING,C6,C5,,,,,4660,bmse000230,1
2,covalent,DOUB,C6,O11,,,,,4660,bmse000230,1
3,covalent,SING,C6,O12,,,,,4660,bmse000230,1
4,covalent,SING,C5,C4,,,,,4660,bmse000230,1
5,covalent,SING,C5,O10,,,,,4660,bmse000230,1
6,covalent,SING,C5,H18,,,,,4660,bmse000230,1
7,covalent,SING,C4,C3,,,,,4660,bmse000230,1
8,covalent,SING,C4,O9,,,,,4660,bmse000230,1
9,covalent,SING,C4,H17,,,,,4660,bmse000230,1
10,covalent,SING,C3,C2,,,,,4660,bmse000230,1
11,covalent,SING,C3,O8,,,,,4660,bmse000230,1
12,covalent,SING,C3,H16,,,,,4660,bmse000230,1
13,covalent,SING,C2,C1,,,,,4660,bmse000230,1
14,covalent,SING,C2,O12,,,,,4660,bmse000230,1
15,covalent,SING,C2,H15,,,,,4660,bmse000230,1
16,covalent,SING,C1,O7,,,,,4660,bmse000230,1
17,covalent,SING,C1,H13,,,,,4660,bmse000230,1
18,covalent,SING,C1,H14,,,,,4660,bmse000230,1
19,covalent,SING,O10,H22,,,,,4660,bmse000230,1
20,covalent,SING,O9,H21,,,,,4660,bmse000230,1
21,covalent,SING,O8,H20,,,,,4660,bmse000230,1
22,covalent,SING,O7,H19,,,,,4660,bmse000230,1
1,covalent,SING,C8,C5,,,,,4682,bmse000231,1
2,covalent,SING,C8,O14,,,,,4682,bmse000231,1
3,covalent,SING,C8,O15,,,,,4682,bmse000231,1
4,covalent,SING,C8,H25,,,,,4682,bmse000231,1
5,covalent,SING,C5,C7,,,,,4682,bmse000231,1
6,covalent,SING,C5,N9,,,,,4682,bmse000231,1
7,covalent,SING,C5,H22,,,,,4682,bmse000231,1
8,covalent,SING,C7,C6,,,,,4682,bmse000231,1
9,covalent,SING,C7,O13,,,,,4682,bmse000231,1
10,covalent,SING,C7,H24,,,,,4682,bmse000231,1
11,covalent,SING,C6,C4,,,,,4682,bmse000231,1
12,covalent,SING,C6,O12,,,,,4682,bmse000231,1
13,covalent,SING,C6,H23,,,,,4682,bmse000231,1
14,covalent,SING,C4,C2,,,,,4682,bmse000231,1
15,covalent,SING,C4,O15,,,,,4682,bmse000231,1
16,covalent,SING,C4,H21,,,,,4682,bmse000231,1
17,covalent,SING,C2,O10,,,,,4682,bmse000231,1
18,covalent,SING,C2,H19,,,,,4682,bmse000231,1
19,covalent,SING,C2,H20,,,,,4682,bmse000231,1
20,covalent,SING,C3,C1,,,,,4682,bmse000231,1
21,covalent,SING,C3,N9,,,,,4682,bmse000231,1
22,covalent,DOUB,C3,O11,,,,,4682,bmse000231,1
23,covalent,SING,C1,H18,,,,,4682,bmse000231,1
24,covalent,SING,C1,H17,,,,,4682,bmse000231,1
25,covalent,SING,C1,H16,,,,,4682,bmse000231,1
26,covalent,SING,N9,H26,,,,,4682,bmse000231,1
27,covalent,SING,O14,H30,,,,,4682,bmse000231,1
28,covalent,SING,O13,H29,,,,,4682,bmse000231,1
29,covalent,SING,O12,H28,,,,,4682,bmse000231,1
30,covalent,SING,O10,H27,,,,,4682,bmse000231,1
1,covalent,SING,C20,C8,,,,,4704,bmse000232,1
2,covalent,SING,C20,O45,,,,,4704,bmse000232,1
3,covalent,SING,C20,C14,,,,,4704,bmse000232,1
4,covalent,SING,C20,H69,,,,,4704,bmse000232,1
5,covalent,SING,C8,O43,,,,,4704,bmse000232,1
6,covalent,SING,C8,C4,,,,,4704,bmse000232,1
7,covalent,SING,C8,H57,,,,,4704,bmse000232,1
8,covalent,SING,O45,C23,,,,,4704,bmse000232,1
9,covalent,SING,C14,C18,,,,,4704,bmse000232,1
10,covalent,SING,C14,O33,,,,,4704,bmse000232,1
11,covalent,SING,C14,H63,,,,,4704,bmse000232,1
12,covalent,SING,O43,C24,,,,,4704,bmse000232,1
13,covalent,SING,C4,O39,,,,,4704,bmse000232,1
14,covalent,SING,C4,H52,,,,,4704,bmse000232,1
15,covalent,SING,C4,H53,,,,,4704,bmse000232,1
16,covalent,SING,C23,O42,,,,,4704,bmse000232,1
17,covalent,SING,C23,C17,,,,,4704,bmse000232,1
18,covalent,SING,C23,H72,,,,,4704,bmse000232,1
19,covalent,SING,C18,C24,,,,,4704,bmse000232,1
20,covalent,SING,C18,O37,,,,,4704,bmse000232,1
21,covalent,SING,C18,H67,,,,,4704,bmse000232,1
22,covalent,SING,O33,H82,,,,,4704,bmse000232,1
23,covalent,SING,C24,O44,,,,,4704,bmse000232,1
24,covalent,SING,C24,H73,,,,,4704,bmse000232,1
25,covalent,SING,C22,O39,,,,,4704,bmse000232,1
26,covalent,SING,O42,C6,,,,,4704,bmse000232,1
27,covalent,SING,C17,C12,,,,,4704,bmse000232,1
28,covalent,SING,C17,O36,,,,,4704,bmse000232,1
29,covalent,SING,C17,H66,,,,,4704,bmse000232,1
30,covalent,SING,O37,H86,,,,,4704,bmse000232,1
31,covalent,SING,O44,C19,,,,,4704,bmse000232,1
32,covalent,SING,C22,O41,,,,,4704,bmse000232,1
33,covalent,SING,C22,C16,,,,,4704,bmse000232,1
34,covalent,SING,C22,H71,,,,,4704,bmse000232,1
35,covalent,SING,C6,C10,,,,,4704,bmse000232,1
36,covalent,SING,C6,C2,,,,,4704,bmse000232,1
37,covalent,SING,C6,H55,,,,,4704,bmse000232,1
38,covalent,SING,C12,C10,,,,,4704,bmse000232,1
39,covalent,SING,C12,O31,,,,,4704,bmse000232,1
40,covalent,SING,C12,H61,,,,,4704,bmse000232,1
41,covalent,SING,O36,H85,,,,,4704,bmse000232,1
42,covalent,SING,C19,C7,,,,,4704,bmse000232,1
43,covalent,SING,C19,C13,,,,,4704,bmse000232,1
44,covalent,SING,C19,H68,,,,,4704,bmse000232,1
45,covalent,SING,O41,C5,,,,,4704,bmse000232,1
46,covalent,SING,C16,C11,,,,,4704,bmse000232,1
47,covalent,SING,C16,O35,,,,,4704,bmse000232,1
48,covalent,SING,C16,H65,,,,,4704,bmse000232,1
49,covalent,SING,C10,O29,,,,,4704,bmse000232,1
50,covalent,SING,C10,H59,,,,,4704,bmse000232,1
51,covalent,SING,C2,O26,,,,,4704,bmse000232,1
52,covalent,SING,C2,H48,,,,,4704,bmse000232,1
53,covalent,SING,C2,H49,,,,,4704,bmse000232,1
54,covalent,SING,O31,H80,,,,,4704,bmse000232,1
55,covalent,SING,C7,O40,,,,,4704,bmse000232,1
56,covalent,SING,C7,C3,,,,,4704,bmse000232,1
57,covalent,SING,C7,H56,,,,,4704,bmse000232,1
58,covalent,SING,C13,C15,,,,,4704,bmse000232,1
59,covalent,SING,C13,O32,,,,,4704,bmse000232,1
60,covalent,SING,C13,H62,,,,,4704,bmse000232,1
61,covalent,SING,C5,C9,,,,,4704,bmse000232,1
62,covalent,SING,C5,C1,,,,,4704,bmse000232,1
63,covalent,SING,C5,H54,,,,,4704,bmse000232,1
64,covalent,SING,C11,C9,,,,,4704,bmse000232,1
65,covalent,SING,C11,O30,,,,,4704,bmse000232,1
66,covalent,SING,C11,H60,,,,,4704,bmse000232,1
67,covalent,SING,O35,H84,,,,,4704,bmse000232,1
68,covalent,SING,O29,H78,,,,,4704,bmse000232,1
69,covalent,SING,O26,H75,,,,,4704,bmse000232,1
70,covalent,SING,O40,C21,,,,,4704,bmse000232,1
71,covalent,SING,C3,O27,,,,,4704,bmse000232,1
72,covalent,SING,C3,H50,,,,,4704,bmse000232,1
73,covalent,SING,C3,H51,,,,,4704,bmse000232,1
74,covalent,SING,C15,C21,,,,,4704,bmse000232,1
75,covalent,SING,C15,O34,,,,,4704,bmse000232,1
76,covalent,SING,C15,H64,,,,,4704,bmse000232,1
77,covalent,SING,O32,H81,,,,,4704,bmse000232,1
78,covalent,SING,C9,O28,,,,,4704,bmse000232,1
79,covalent,SING,C9,H58,,,,,4704,bmse000232,1
80,covalent,SING,C1,O25,,,,,4704,bmse000232,1
81,covalent,SING,C1,H46,,,,,4704,bmse000232,1
82,covalent,SING,C1,H47,,,,,4704,bmse000232,1
83,covalent,SING,O30,H79,,,,,4704,bmse000232,1
84,covalent,SING,C21,O38,,,,,4704,bmse000232,1
85,covalent,SING,C21,H70,,,,,4704,bmse000232,1
86,covalent,SING,O27,H76,,,,,4704,bmse000232,1
87,covalent,SING,O34,H83,,,,,4704,bmse000232,1
88,covalent,SING,O28,H77,,,,,4704,bmse000232,1
89,covalent,SING,O25,H74,,,,,4704,bmse000232,1
90,covalent,SING,O38,H87,,,,,4704,bmse000232,1
1,covalent,SING,C12,O23,,,,,4725,bmse000233,1
2,covalent,SING,C12,O21,,,,,4725,bmse000233,1
3,covalent,SING,C12,C10,,,,,4725,bmse000233,1
4,covalent,SING,C12,H37,,,,,4725,bmse000233,1
5,covalent,SING,O23,C3,,,,,4725,bmse000233,1
6,covalent,SING,O21,C2,,,,,4725,bmse000233,1
7,covalent,SING,C10,C8,,,,,4725,bmse000233,1
8,covalent,SING,C10,O19,,,,,4725,bmse000233,1
9,covalent,SING,C10,H35,,,,,4725,bmse000233,1
10,covalent,SING,C3,C5,,,,,4725,bmse000233,1
11,covalent,SING,C3,C1,,,,,4725,bmse000233,1
12,covalent,SING,C3,H28,,,,,4725,bmse000233,1
13,covalent,SING,C4,C2,,,,,4725,bmse000233,1
14,covalent,SING,C2,H26,,,,,4725,bmse000233,1
15,covalent,SING,C2,H27,,,,,4725,bmse000233,1
16,covalent,SING,C8,C5,,,,,4725,bmse000233,1
17,covalent,SING,C8,O17,,,,,4725,bmse000233,1
18,covalent,SING,C8,H33,,,,,4725,bmse000233,1
19,covalent,SING,O19,H44,,,,,4725,bmse000233,1
20,covalent,SING,C5,O14,,,,,4725,bmse000233,1
21,covalent,SING,C5,H30,,,,,4725,bmse000233,1
22,covalent,SING,C1,O13,,,,,4725,bmse000233,1
23,covalent,SING,C1,H24,,,,,4725,bmse000233,1
24,covalent,SING,C1,H25,,,,,4725,bmse000233,1
25,covalent,SING,C4,C6,,,,,4725,bmse000233,1
26,covalent,SING,C4,O22,,,,,4725,bmse000233,1
27,covalent,SING,C4,H29,,,,,4725,bmse000233,1
28,covalent,SING,O17,H42,,,,,4725,bmse000233,1
29,covalent,SING,O14,H39,,,,,4725,bmse000233,1
30,covalent,SING,O13,H38,,,,,4725,bmse000233,1
31,covalent,SING,C6,C7,,,,,4725,bmse000233,1
32,covalent,SING,C6,O15,,,,,4725,bmse000233,1
33,covalent,SING,C6,H31,,,,,4725,bmse000233,1
34,covalent,SING,O22,C11,,,,,4725,bmse000233,1
35,covalent,SING,C7,C9,,,,,4725,bmse000233,1
36,covalent,SING,C7,O16,,,,,4725,bmse000233,1
37,covalent,SING,C7,H32,,,,,4725,bmse000233,1
38,covalent,SING,O15,H40,,,,,4725,bmse000233,1
39,covalent,SING,C11,C9,,,,,4725,bmse000233,1
40,covalent,SING,C11,O20,,,,,4725,bmse000233,1
41,covalent,SING,C11,H36,,,,,4725,bmse000233,1
42,covalent,SING,C9,O18,,,,,4725,bmse000233,1
43,covalent,SING,C9,H34,,,,,4725,bmse000233,1
44,covalent,SING,O16,H41,,,,,4725,bmse000233,1
45,covalent,SING,O20,H45,,,,,4725,bmse000233,1
46,covalent,SING,O18,H43,,,,,4725,bmse000233,1
1,covalent,SING,C5,C3,,,,,4746,bmse000235,1
2,covalent,SING,C5,O12,,,,,4746,bmse000235,1
3,covalent,SING,C5,C2,,,,,4746,bmse000235,1
4,covalent,SING,C5,H18,,,,,4746,bmse000235,1
5,covalent,SING,C3,C4,,,,,4746,bmse000235,1
6,covalent,SING,C3,O9,,,,,4746,bmse000235,1
7,covalent,SING,C3,H16,,,,,4746,bmse000235,1
8,covalent,SING,O12,C6,,,,,4746,bmse000235,1
9,covalent,SING,C2,C1,,,,,4746,bmse000235,1
10,covalent,SING,C2,O8,,,,,4746,bmse000235,1
11,covalent,SING,C2,H15,,,,,4746,bmse000235,1
12,covalent,SING,C4,C6,,,,,4746,bmse000235,1
13,covalent,SING,C4,O10,,,,,4746,bmse000235,1
14,covalent,SING,C4,H17,,,,,4746,bmse000235,1
15,covalent,SING,O9,H21,,,,,4746,bmse000235,1
16,covalent,DOUB,C6,O11,,,,,4746,bmse000235,1
17,covalent,SING,C1,O7,,,,,4746,bmse000235,1
18,covalent,SING,C1,H13,,,,,4746,bmse000235,1
19,covalent,SING,C1,H14,,,,,4746,bmse000235,1
20,covalent,SING,O8,H20,,,,,4746,bmse000235,1
21,covalent,SING,O10,H22,,,,,4746,bmse000235,1
22,covalent,SING,O7,H19,,,,,4746,bmse000235,1
1,covalent,SING,C2,N4,,,,,4768,bmse000236,1
2,covalent,SING,N4,H11,,,,,4768,bmse000236,1
3,covalent,SING,N4,H12,,,,,4768,bmse000236,1
4,covalent,SING,C2,C1,,,,,4768,bmse000236,1
5,covalent,SING,C2,C3,,,,,4768,bmse000236,1
6,covalent,SING,C2,H10,,,,,4768,bmse000236,1
7,covalent,SING,C1,H7,,,,,4768,bmse000236,1
8,covalent,SING,C1,H9,,,,,4768,bmse000236,1
9,covalent,SING,C1,H8,,,,,4768,bmse000236,1
10,covalent,DOUB,C3,O5,,,,,4768,bmse000236,1
11,covalent,SING,C3,O6,,,,,4768,bmse000236,1
12,covalent,SING,O6,H13,,,,,4768,bmse000236,1
1,covalent,SING,C5,C6,,,,,4789,bmse000237,1
2,covalent,SING,C6,O8,,,,,4789,bmse000237,1
3,covalent,DOUB,C6,O9,,,,,4789,bmse000237,1
4,covalent,SING,C4,C2,,,,,4789,bmse000237,1
5,covalent,SING,C4,N7,,,,,4789,bmse000237,1
6,covalent,SING,C4,H16,,,,,4789,bmse000237,1
7,covalent,SING,C4,H17,,,,,4789,bmse000237,1
8,covalent,SING,C2,C1,,,,,4789,bmse000237,1
9,covalent,SING,C2,H12,,,,,4789,bmse000237,1
10,covalent,SING,C2,H13,,,,,4789,bmse000237,1
11,covalent,SING,C1,C3,,,,,4789,bmse000237,1
12,covalent,SING,C1,H10,,,,,4789,bmse000237,1
13,covalent,SING,C1,H11,,,,,4789,bmse000237,1
14,covalent,SING,C3,C5,,,,,4789,bmse000237,1
15,covalent,SING,C3,H14,,,,,4789,bmse000237,1
16,covalent,SING,C3,H15,,,,,4789,bmse000237,1
17,covalent,SING,C5,N7,,,,,4789,bmse000237,1
18,covalent,SING,C5,H18,,,,,4789,bmse000237,1
19,covalent,SING,O8,H20,,,,,4789,bmse000237,1
20,covalent,SING,N7,H19,,,,,4789,bmse000237,1
1,covalent,SING,C1,C3,,,,,4811,bmse000238,1
2,covalent,SING,C1,C2,,,,,4811,bmse000238,1
3,covalent,SING,C1,H10,,,,,4811,bmse000238,1
4,covalent,SING,C1,H11,,,,,4811,bmse000238,1
5,covalent,SING,C4,C2,,,,,4811,bmse000238,1
6,covalent,DOUB,C4,O8,,,,,4811,bmse000238,1
7,covalent,SING,C4,O9,,,,,4811,bmse000238,1
8,covalent,DOUB,C3,O6,,,,,4811,bmse000238,1
9,covalent,SING,C3,O7,,,,,4811,bmse000238,1
10,covalent,SING,C2,O5,,,,,4811,bmse000238,1
11,covalent,SING,C2,H12,,,,,4811,bmse000238,1
12,covalent,SING,O9,H15,,,,,4811,bmse000238,1
13,covalent,SING,O7,H14,,,,,4811,bmse000238,1
14,covalent,SING,O5,H13,,,,,4811,bmse000238,1
1,covalent,DOUB,O13,C6,,,,,4833,bmse000239,1
2,covalent,SING,O14,C6,,,,,4833,bmse000239,1
3,covalent,SING,O14,H24,,,,,4833,bmse000239,1
4,covalent,SING,C6,C4,,,,,4833,bmse000239,1
5,covalent,SING,C4,O10,,,,,4833,bmse000239,1
6,covalent,SING,C4,C2,,,,,4833,bmse000239,1
7,covalent,SING,C4,H18,,,,,4833,bmse000239,1
8,covalent,SING,O10,H22,,,,,4833,bmse000239,1
9,covalent,SING,C2,O8,,,,,4833,bmse000239,1
10,covalent,SING,C2,C1,,,,,4833,bmse000239,1
11,covalent,SING,C2,H16,,,,,4833,bmse000239,1
12,covalent,SING,O8,H20,,,,,4833,bmse000239,1
13,covalent,SING,C1,O7,,,,,4833,bmse000239,1
14,covalent,SING,C1,C3,,,,,4833,bmse000239,1
15,covalent,SING,C1,H15,,,,,4833,bmse000239,1
16,covalent,SING,O7,H19,,,,,4833,bmse000239,1
17,covalent,SING,C3,O9,,,,,4833,bmse000239,1
18,covalent,SING,O9,H21,,,,,4833,bmse000239,1
19,covalent,SING,C3,C5,,,,,4833,bmse000239,1
20,covalent,SING,C3,H17,,,,,4833,bmse000239,1
21,covalent,DOUB,C5,O11,,,,,4833,bmse000239,1
22,covalent,SING,C5,O12,,,,,4833,bmse000239,1
23,covalent,SING,O12,H23,,,,,4833,bmse000239,1
1,covalent,SING,C24,O45,,,,,4855,bmse000240,1
2,covalent,SING,C24,O44,,,,,4855,bmse000240,1
3,covalent,SING,C24,C20,,,,,4855,bmse000240,1
4,covalent,SING,C24,C5,,,,,4855,bmse000240,1
5,covalent,SING,O45,C23,,,,,4855,bmse000240,1
6,covalent,SING,O44,C7,,,,,4855,bmse000240,1
7,covalent,SING,C20,C13,,,,,4855,bmse000240,1
8,covalent,SING,C20,O38,,,,,4855,bmse000240,1
9,covalent,SING,C20,H70,,,,,4855,bmse000240,1
10,covalent,SING,C5,O27,,,,,4855,bmse000240,1
11,covalent,SING,C5,H54,,,,,4855,bmse000240,1
12,covalent,SING,C5,H55,,,,,4855,bmse000240,1
13,covalent,SING,C23,O43,,,,,4855,bmse000240,1
14,covalent,SING,C23,C19,,,,,4855,bmse000240,1
15,covalent,SING,C23,H73,,,,,4855,bmse000240,1
16,covalent,SING,C7,C13,,,,,4855,bmse000240,1
17,covalent,SING,C7,C2,,,,,4855,bmse000240,1
18,covalent,SING,C7,H57,,,,,4855,bmse000240,1
19,covalent,SING,C13,O31,,,,,4855,bmse000240,1
20,covalent,SING,C13,H63,,,,,4855,bmse000240,1
21,covalent,SING,O38,H87,,,,,4855,bmse000240,1
22,covalent,SING,O27,H76,,,,,4855,bmse000240,1
23,covalent,SING,O43,C9,,,,,4855,bmse000240,1
24,covalent,SING,C19,C16,,,,,4855,bmse000240,1
25,covalent,SING,C19,O37,,,,,4855,bmse000240,1
26,covalent,SING,C19,H69,,,,,4855,bmse000240,1
27,covalent,SING,C2,O26,,,,,4855,bmse000240,1
28,covalent,SING,C2,H48,,,,,4855,bmse000240,1
29,covalent,SING,C2,H49,,,,,4855,bmse000240,1
30,covalent,SING,O31,H80,,,,,4855,bmse000240,1
31,covalent,SING,C9,C4,,,,,4855,bmse000240,1
32,covalent,SING,C9,C12,,,,,4855,bmse000240,1
33,covalent,SING,C9,H59,,,,,4855,bmse000240,1
34,covalent,SING,C16,C12,,,,,4855,bmse000240,1
35,covalent,SING,C16,O34,,,,,4855,bmse000240,1
36,covalent,SING,C16,H66,,,,,4855,bmse000240,1
37,covalent,SING,O37,H86,,,,,4855,bmse000240,1
38,covalent,SING,O26,H75,,,,,4855,bmse000240,1
39,covalent,SING,C4,O40,,,,,4855,bmse000240,1
40,covalent,SING,C4,H52,,,,,4855,bmse000240,1
41,covalent,SING,C4,H53,,,,,4855,bmse000240,1
42,covalent,SING,C12,O30,,,,,4855,bmse000240,1
43,covalent,SING,C12,H62,,,,,4855,bmse000240,1
44,covalent,SING,O34,H83,,,,,4855,bmse000240,1
45,covalent,SING,C22,O40,,,,,4855,bmse000240,1
46,covalent,SING,O30,H79,,,,,4855,bmse000240,1
47,covalent,SING,C22,O42,,,,,4855,bmse000240,1
48,covalent,SING,C22,C18,,,,,4855,bmse000240,1
49,covalent,SING,C22,H72,,,,,4855,bmse000240,1
50,covalent,SING,O42,C8,,,,,4855,bmse000240,1
51,covalent,SING,C18,C15,,,,,4855,bmse000240,1
52,covalent,SING,C18,O36,,,,,4855,bmse000240,1
53,covalent,SING,C18,H68,,,,,4855,bmse000240,1
54,covalent,SING,C8,C3,,,,,4855,bmse000240,1
55,covalent,SING,C8,C11,,,,,4855,bmse000240,1
56,covalent,SING,C8,H58,,,,,4855,bmse000240,1
57,covalent,SING,C15,C11,,,,,4855,bmse000240,1
58,covalent,SING,C15,O33,,,,,4855,bmse000240,1
59,covalent,SING,C15,H65,,,,,4855,bmse000240,1
60,covalent,SING,O36,H85,,,,,4855,bmse000240,1
61,covalent,SING,C3,O39,,,,,4855,bmse000240,1
62,covalent,SING,C3,H50,,,,,4855,bmse000240,1
63,covalent,SING,C3,H51,,,,,4855,bmse000240,1
64,covalent,SING,C11,O29,,,,,4855,bmse000240,1
65,covalent,SING,C11,H61,,,,,4855,bmse000240,1
66,covalent,SING,O33,H82,,,,,4855,bmse000240,1
67,covalent,SING,C21,O39,,,,,4855,bmse000240,1
68,covalent,SING,O29,H78,,,,,4855,bmse000240,1
69,covalent,SING,C21,O41,,,,,4855,bmse000240,1
70,covalent,SING,C21,C17,,,,,4855,bmse000240,1
71,covalent,SING,C21,H71,,,,,4855,bmse000240,1
72,covalent,SING,O41,C6,,,,,4855,bmse000240,1
73,covalent,SING,C17,C14,,,,,4855,bmse000240,1
74,covalent,SING,C17,O35,,,,,4855,bmse000240,1
75,covalent,SING,C17,H67,,,,,4855,bmse000240,1
76,covalent,SING,C6,C10,,,,,4855,bmse000240,1
77,covalent,SING,C6,C1,,,,,4855,bmse000240,1
78,covalent,SING,C6,H56,,,,,4855,bmse000240,1
79,covalent,SING,C14,C10,,,,,4855,bmse000240,1
80,covalent,SING,C14,O32,,,,,4855,bmse000240,1
81,covalent,SING,C14,H64,,,,,4855,bmse000240,1
82,covalent,SING,O35,H84,,,,,4855,bmse000240,1
83,covalent,SING,C10,O28,,,,,4855,bmse000240,1
84,covalent,SING,C10,H60,,,,,4855,bmse000240,1
85,covalent,SING,C1,O25,,,,,4855,bmse000240,1
86,covalent,SING,C1,H46,,,,,4855,bmse000240,1
87,covalent,SING,C1,H47,,,,,4855,bmse000240,1
88,covalent,SING,O32,H81,,,,,4855,bmse000240,1
89,covalent,SING,O28,H77,,,,,4855,bmse000240,1
90,covalent,SING,O25,H74,,,,,4855,bmse000240,1
1,covalent,SING,O6,C4,,,,,4877,bmse000241,1
2,covalent,SING,O6,H16,,,,,4877,bmse000241,1
3,covalent,DOUB,O7,C4,,,,,4877,bmse000241,1
4,covalent,SING,C4,C3,,,,,4877,bmse000241,1
5,covalent,SING,C3,N5,,,,,4877,bmse000241,1
6,covalent,SING,C3,H14,,,,,4877,bmse000241,1
7,covalent,SING,C3,H15,,,,,4877,bmse000241,1
8,covalent,SING,N5,C1,,,,,4877,bmse000241,1
9,covalent,SING,N5,C2,,,,,4877,bmse000241,1
10,covalent,SING,C1,H9,,,,,4877,bmse000241,1
11,covalent,SING,C1,H8,,,,,4877,bmse000241,1
12,covalent,SING,C1,H10,,,,,4877,bmse000241,1
13,covalent,SING,C2,H11,,,,,4877,bmse000241,1
14,covalent,SING,C2,H12,,,,,4877,bmse000241,1
15,covalent,SING,C2,H13,,,,,4877,bmse000241,1
1,covalent,SING,C1,C2,,,,,4898,bmse000242,1
2,covalent,SING,C1,O3,,,,,4898,bmse000242,1
3,covalent,SING,C1,H8,,,,,4898,bmse000242,1
4,covalent,SING,C1,H9,,,,,4898,bmse000242,1
5,covalent,SING,C2,S7,,,,,4898,bmse000242,1
6,covalent,SING,C2,H10,,,,,4898,bmse000242,1
7,covalent,SING,C2,H11,,,,,4898,bmse000242,1
8,covalent,SING,O3,H12,,,,,4898,bmse000242,1
9,covalent,SING,O4,S7,,,,,4898,bmse000242,1
10,covalent,SING,O4,H13,,,,,4898,bmse000242,1
11,covalent,DOUB,O5,S7,,,,,4898,bmse000242,1
12,covalent,DOUB,O6,S7,,,,,4898,bmse000242,1
1,covalent,DOUB,C1,C3,,,,,4919,bmse000243,1
2,covalent,SING,C1,C7,,,,,4919,bmse000243,1
3,covalent,SING,C1,H11,,,,,4919,bmse000243,1
4,covalent,SING,C2,C4,,,,,4919,bmse000243,1
5,covalent,DOUB,C2,C7,,,,,4919,bmse000243,1
6,covalent,SING,C2,H12,,,,,4919,bmse000243,1
7,covalent,SING,C3,C8,,,,,4919,bmse000243,1
8,covalent,SING,C3,H13,,,,,4919,bmse000243,1
9,covalent,DOUB,C4,C8,,,,,4919,bmse000243,1
10,covalent,SING,C4,H14,,,,,4919,bmse000243,1
11,covalent,SING,C5,C6,,,,,4919,bmse000243,1
12,covalent,SING,C5,C7,,,,,4919,bmse000243,1
13,covalent,SING,C5,H15,,,,,4919,bmse000243,1
14,covalent,SING,C5,H16,,,,,4919,bmse000243,1
15,covalent,SING,C6,N9,,,,,4919,bmse000243,1
16,covalent,SING,C6,H17,,,,,4919,bmse000243,1
17,covalent,SING,C6,H18,,,,,4919,bmse000243,1
18,covalent,SING,C8,O10,,,,,4919,bmse000243,1
19,covalent,SING,N9,H19,,,,,4919,bmse000243,1
20,covalent,SING,N9,H20,,,,,4919,bmse000243,1
21,covalent,SING,O10,H21,,,,,4919,bmse000243,1
1,covalent,SING,C1,C5,,,,,4942,bmse000244,1
2,covalent,SING,C1,H19,,,,,4942,bmse000244,1
3,covalent,SING,C1,H20,,,,,4942,bmse000244,1
4,covalent,SING,C1,H18,,,,,4942,bmse000244,1
5,covalent,DOUB,C3,C5,,,,,4942,bmse000244,1
6,covalent,SING,C3,N12,,,,,4942,bmse000244,1
7,covalent,SING,C3,H23,,,,,4942,bmse000244,1
8,covalent,SING,C2,C6,,,,,4942,bmse000244,1
9,covalent,SING,C2,C8,,,,,4942,bmse000244,1
10,covalent,SING,C2,H21,,,,,4942,bmse000244,1
11,covalent,SING,C2,H22,,,,,4942,bmse000244,1
12,covalent,SING,C7,C4,,,,,4942,bmse000244,1
13,covalent,SING,C4,O13,,,,,4942,bmse000244,1
14,covalent,SING,C4,H24,,,,,4942,bmse000244,1
15,covalent,SING,C4,H25,,,,,4942,bmse000244,1
16,covalent,SING,C5,C9,,,,,4942,bmse000244,1
17,covalent,SING,C9,N11,,,,,4942,bmse000244,1
18,covalent,DOUB,C9,O15,,,,,4942,bmse000244,1
19,covalent,SING,C10,N11,,,,,4942,bmse000244,1
20,covalent,SING,C10,N12,,,,,4942,bmse000244,1
21,covalent,DOUB,C10,O16,,,,,4942,bmse000244,1
22,covalent,SING,C6,C7,,,,,4942,bmse000244,1
23,covalent,SING,C6,O14,,,,,4942,bmse000244,1
24,covalent,SING,C6,H26,,,,,4942,bmse000244,1
25,covalent,SING,C8,N12,,,,,4942,bmse000244,1
26,covalent,SING,C8,O17,,,,,4942,bmse000244,1
27,covalent,SING,C8,H28,,,,,4942,bmse000244,1
28,covalent,SING,C7,O17,,,,,4942,bmse000244,1
29,covalent,SING,C7,H27,,,,,4942,bmse000244,1
30,covalent,SING,N11,H29,,,,,4942,bmse000244,1
31,covalent,SING,O13,H30,,,,,4942,bmse000244,1
32,covalent,SING,O14,H31,,,,,4942,bmse000244,1
1,covalent,SING,C1,C2,,,,,4964,bmse000245,1
2,covalent,SING,C1,O3,,,,,4964,bmse000245,1
3,covalent,SING,C1,H6,,,,,4964,bmse000245,1
4,covalent,SING,C1,H7,,,,,4964,bmse000245,1
5,covalent,DOUB,C2,O4,,,,,4964,bmse000245,1
6,covalent,SING,C2,O5,,,,,4964,bmse000245,1
7,covalent,SING,O3,H8,,,,,4964,bmse000245,1
8,covalent,SING,O5,H9,,,,,4964,bmse000245,1
1,covalent,DOUB,C4,C6,,,,,4985,bmse000246,1
2,covalent,SING,C4,N11,,,,,4985,bmse000246,1
3,covalent,SING,C4,H23,,,,,4985,bmse000246,1
4,covalent,SING,C5,N12,,,,,4985,bmse000246,1
5,covalent,DOUB,C5,N11,,,,,4985,bmse000246,1
6,covalent,SING,C5,H24,,,,,4985,bmse000246,1
7,covalent,SING,C1,C2,,,,,4985,bmse000246,1
8,covalent,SING,C1,C8,,,,,4985,bmse000246,1
9,covalent,SING,C1,H17,,,,,4985,bmse000246,1
10,covalent,SING,C1,H18,,,,,4985,bmse000246,1
11,covalent,SING,C2,N10,,,,,4985,bmse000246,1
12,covalent,SING,C2,H19,,,,,4985,bmse000246,1
13,covalent,SING,C2,H20,,,,,4985,bmse000246,1
14,covalent,SING,C3,C6,,,,,4985,bmse000246,1
15,covalent,SING,C3,C7,,,,,4985,bmse000246,1
16,covalent,SING,C3,H21,,,,,4985,bmse000246,1
17,covalent,SING,C3,H22,,,,,4985,bmse000246,1
18,covalent,SING,C6,N12,,,,,4985,bmse000246,1
19,covalent,SING,C7,C9,,,,,4985,bmse000246,1
20,covalent,SING,C7,N13,,,,,4985,bmse000246,1
21,covalent,SING,C7,H25,,,,,4985,bmse000246,1
22,covalent,SING,C8,N13,,,,,4985,bmse000246,1
23,covalent,DOUB,C8,O14,,,,,4985,bmse000246,1
24,covalent,SING,C9,O15,,,,,4985,bmse000246,1
25,covalent,DOUB,C9,O16,,,,,4985,bmse000246,1
26,covalent,SING,N10,H26,,,,,4985,bmse000246,1
27,covalent,SING,N10,H27,,,,,4985,bmse000246,1
28,covalent,SING,N12,H28,,,,,4985,bmse000246,1
29,covalent,SING,N13,H29,,,,,4985,bmse000246,1
30,covalent,SING,O15,H30,,,,,4985,bmse000246,1
1,covalent,SING,C5,C3,,,,,5007,bmse000247,1
2,covalent,SING,C5,C4,,,,,5007,bmse000247,1
3,covalent,SING,C5,O10,,,,,5007,bmse000247,1
4,covalent,SING,C5,H18,,,,,5007,bmse000247,1
5,covalent,SING,C3,C6,,,,,5007,bmse000247,1
6,covalent,SING,C3,N7,,,,,5007,bmse000247,1
7,covalent,SING,C3,H16,,,,,5007,bmse000247,1
8,covalent,SING,C6,O12,,,,,5007,bmse000247,1
9,covalent,SING,C6,O11,,,,,5007,bmse000247,1
10,covalent,SING,C6,H19,,,,,5007,bmse000247,1
11,covalent,SING,O12,C2,,,,,5007,bmse000247,1
12,covalent,SING,C2,C4,,,,,5007,bmse000247,1
13,covalent,SING,C2,C1,,,,,5007,bmse000247,1
14,covalent,SING,C2,H15,,,,,5007,bmse000247,1
15,covalent,SING,C4,O9,,,,,5007,bmse000247,1
16,covalent,SING,C4,H17,,,,,5007,bmse000247,1
17,covalent,SING,C1,O8,,,,,5007,bmse000247,1
18,covalent,SING,C1,H13,,,,,5007,bmse000247,1
19,covalent,SING,C1,H14,,,,,5007,bmse000247,1
20,covalent,SING,O8,H22,,,,,5007,bmse000247,1
21,covalent,SING,O10,H24,,,,,5007,bmse000247,1
22,covalent,SING,O9,H23,,,,,5007,bmse000247,1
23,covalent,SING,N7,H20,,,,,5007,bmse000247,1
24,covalent,SING,N7,H21,,,,,5007,bmse000247,1
25,covalent,SING,O11,H25,,,,,5007,bmse000247,1
1,covalent,SING,C1,N4,,,,,5028,bmse000248,1
2,covalent,SING,C1,H7,,,,,5028,bmse000248,1
3,covalent,SING,C1,H8,,,,,5028,bmse000248,1
4,covalent,SING,C1,H9,,,,,5028,bmse000248,1
5,covalent,SING,C3,N4,,,,,5028,bmse000248,1
6,covalent,DOUB,C3,O6,,,,,5028,bmse000248,1
7,covalent,SING,C3,N5,,,,,5028,bmse000248,1
8,covalent,SING,C2,N5,,,,,5028,bmse000248,1
9,covalent,SING,C2,H11,,,,,5028,bmse000248,1
10,covalent,SING,C2,H12,,,,,5028,bmse000248,1
11,covalent,SING,C2,H10,,,,,5028,bmse000248,1
12,covalent,SING,N4,H13,,,,,5028,bmse000248,1
13,covalent,SING,N5,H14,,,,,5028,bmse000248,1
1,covalent,SING,C4,C2,,,,,5051,bmse000249,1
2,covalent,SING,C4,N6,,,,,5051,bmse000249,1
3,covalent,SING,C4,H16,,,,,5051,bmse000249,1
4,covalent,SING,C4,H17,,,,,5051,bmse000249,1
5,covalent,SING,C2,C3,,,,,5051,bmse000249,1
6,covalent,SING,C2,H12,,,,,5051,bmse000249,1
7,covalent,SING,C2,H13,,,,,5051,bmse000249,1
8,covalent,SING,C5,C3,,,,,5051,bmse000249,1
9,covalent,SING,C5,O8,,,,,5051,bmse000249,1
10,covalent,DOUB,C5,O7,,,,,5051,bmse000249,1
11,covalent,SING,C3,H14,,,,,5051,bmse000249,1
12,covalent,SING,C3,H15,,,,,5051,bmse000249,1
13,covalent,SING,C1,O8,,,,,5051,bmse000249,1
14,covalent,SING,C1,H9,,,,,5051,bmse000249,1
15,covalent,SING,C1,H10,,,,,5051,bmse000249,1
16,covalent,SING,C1,H11,,,,,5051,bmse000249,1
17,covalent,SING,N6,H18,,,,,5051,bmse000249,1
18,covalent,SING,N6,H19,,,,,5051,bmse000249,1
1,covalent,SING,P22,O20,,,,,5072,bmse000250,1
2,covalent,SING,P22,O17,,,,,5072,bmse000250,1
3,covalent,SING,P22,O18,,,,,5072,bmse000250,1
4,covalent,DOUB,P22,O19,,,,,5072,bmse000250,1
5,covalent,SING,O20,C2,,,,,5072,bmse000250,1
6,covalent,SING,O17,H35,,,,,5072,bmse000250,1
7,covalent,SING,O18,H36,,,,,5072,bmse000250,1
8,covalent,SING,C5,O16,,,,,5072,bmse000250,1
9,covalent,SING,O16,H34,,,,,5072,bmse000250,1
10,covalent,SING,O21,C7,,,,,5072,bmse000250,1
11,covalent,SING,O21,C6,,,,,5072,bmse000250,1
12,covalent,SING,N11,C9,,,,,5072,bmse000250,1
13,covalent,SING,N11,H32,,,,,5072,bmse000250,1
14,covalent,SING,N11,H33,,,,,5072,bmse000250,1
15,covalent,SING,C7,N15,,,,,5072,bmse000250,1
16,covalent,SING,N15,C10,,,,,5072,bmse000250,1
17,covalent,SING,N15,C4,,,,,5072,bmse000250,1
18,covalent,SING,N14,C8,,,,,5072,bmse000250,1
19,covalent,DOUB,N14,C4,,,,,5072,bmse000250,1
20,covalent,SING,N12,C9,,,,,5072,bmse000250,1
21,covalent,DOUB,N12,C3,,,,,5072,bmse000250,1
22,covalent,DOUB,N13,C10,,,,,5072,bmse000250,1
23,covalent,SING,N13,C3,,,,,5072,bmse000250,1
24,covalent,SING,C6,C2,,,,,5072,bmse000250,1
25,covalent,SING,C2,H25,,,,,5072,bmse000250,1
26,covalent,SING,C2,H26,,,,,5072,bmse000250,1
27,covalent,SING,C7,C1,,,,,5072,bmse000250,1
28,covalent,SING,C7,H31,,,,,5072,bmse000250,1
29,covalent,SING,C6,C5,,,,,5072,bmse000250,1
30,covalent,SING,C6,H30,,,,,5072,bmse000250,1
31,covalent,SING,C5,C1,,,,,5072,bmse000250,1
32,covalent,SING,C5,H29,,,,,5072,bmse000250,1
33,covalent,SING,C1,H23,,,,,5072,bmse000250,1
34,covalent,SING,C1,H24,,,,,5072,bmse000250,1
35,covalent,DOUB,C9,C8,,,,,5072,bmse000250,1
36,covalent,SING,C10,C8,,,,,5072,bmse000250,1
37,covalent,SING,C4,H28,,,,,5072,bmse000250,1
38,covalent,SING,C3,H27,,,,,5072,bmse000250,1
1,covalent,SING,O9,C7,,,,,5094,bmse000252,1
2,covalent,SING,O9,H16,,,,,5094,bmse000252,1
3,covalent,SING,O8,C6,,,,,5094,bmse000252,1
4,covalent,SING,O8,H15,,,,,5094,bmse000252,1
5,covalent,DOUB,O10,C7,,,,,5094,bmse000252,1
6,covalent,SING,C7,C5,,,,,5094,bmse000252,1
7,covalent,SING,C6,C5,,,,,5094,bmse000252,1
8,covalent,DOUB,C6,C4,,,,,5094,bmse000252,1
9,covalent,DOUB,C5,C3,,,,,5094,bmse000252,1
10,covalent,SING,C4,C2,,,,,5094,bmse000252,1
11,covalent,SING,C4,H14,,,,,5094,bmse000252,1
12,covalent,SING,C3,C1,,,,,5094,bmse000252,1
13,covalent,SING,C3,H13,,,,,5094,bmse000252,1
14,covalent,DOUB,C2,C1,,,,,5094,bmse000252,1
15,covalent,SING,C2,H12,,,,,5094,bmse000252,1
16,covalent,SING,C1,H11,,,,,5094,bmse000252,1
1,covalent,SING,P26,O24,,,,,5115,bmse000253,1
2,covalent,SING,P26,O22,,,,,5115,bmse000253,1
3,covalent,SING,P26,O20,,,,,5115,bmse000253,1
4,covalent,DOUB,P26,O21,,,,,5115,bmse000253,1
5,covalent,SING,P25,O24,,,,,5115,bmse000253,1
6,covalent,SING,P25,O17,,,,,5115,bmse000253,1
7,covalent,SING,P25,O18,,,,,5115,bmse000253,1
8,covalent,DOUB,P25,O19,,,,,5115,bmse000253,1
9,covalent,SING,O22,C2,,,,,5115,bmse000253,1
10,covalent,SING,O20,H41,,,,,5115,bmse000253,1
11,covalent,SING,O17,H39,,,,,5115,bmse000253,1
12,covalent,SING,O18,H40,,,,,5115,bmse000253,1
13,covalent,SING,C5,O16,,,,,5115,bmse000253,1
14,covalent,SING,O16,H38,,,,,5115,bmse000253,1
15,covalent,SING,O23,C7,,,,,5115,bmse000253,1
16,covalent,SING,O23,C6,,,,,5115,bmse000253,1
17,covalent,SING,N11,C9,,,,,5115,bmse000253,1
18,covalent,SING,N11,H36,,,,,5115,bmse000253,1
19,covalent,SING,N11,H37,,,,,5115,bmse000253,1
20,covalent,SING,C7,N15,,,,,5115,bmse000253,1
21,covalent,SING,N15,C10,,,,,5115,bmse000253,1
22,covalent,SING,N15,C4,,,,,5115,bmse000253,1
23,covalent,SING,N14,C8,,,,,5115,bmse000253,1
24,covalent,DOUB,N14,C4,,,,,5115,bmse000253,1
25,covalent,SING,N12,C9,,,,,5115,bmse000253,1
26,covalent,DOUB,N12,C3,,,,,5115,bmse000253,1
27,covalent,DOUB,N13,C10,,,,,5115,bmse000253,1
28,covalent,SING,N13,C3,,,,,5115,bmse000253,1
29,covalent,SING,C6,C2,,,,,5115,bmse000253,1
30,covalent,SING,C2,H29,,,,,5115,bmse000253,1
31,covalent,SING,C2,H30,,,,,5115,bmse000253,1
32,covalent,SING,C7,C1,,,,,5115,bmse000253,1
33,covalent,SING,C7,H35,,,,,5115,bmse000253,1
34,covalent,SING,C6,C5,,,,,5115,bmse000253,1
35,covalent,SING,C6,H34,,,,,5115,bmse000253,1
36,covalent,SING,C5,C1,,,,,5115,bmse000253,1
37,covalent,SING,C5,H33,,,,,5115,bmse000253,1
38,covalent,SING,C1,H27,,,,,5115,bmse000253,1
39,covalent,SING,C1,H28,,,,,5115,bmse000253,1
40,covalent,DOUB,C9,C8,,,,,5115,bmse000253,1
41,covalent,SING,C10,C8,,,,,5115,bmse000253,1
42,covalent,SING,C4,H32,,,,,5115,bmse000253,1
43,covalent,SING,C3,H31,,,,,5115,bmse000253,1
1,covalent,SING,P16,O14,,,,,5133,bmse000254,1
2,covalent,SING,P16,O11,,,,,5133,bmse000254,1
3,covalent,SING,P16,O12,,,,,5133,bmse000254,1
4,covalent,DOUB,P16,O13,,,,,5133,bmse000254,1
5,covalent,SING,O14,C2,,,,,5133,bmse000254,1
6,covalent,SING,O11,H28,,,,,5133,bmse000254,1
7,covalent,SING,O12,H29,,,,,5133,bmse000254,1
8,covalent,SING,O7,C1,,,,,5133,bmse000254,1
9,covalent,SING,O7,H24,,,,,5133,bmse000254,1
10,covalent,SING,O10,C6,,,,,5133,bmse000254,1
11,covalent,SING,O10,H27,,,,,5133,bmse000254,1
12,covalent,SING,C5,O9,,,,,5133,bmse000254,1
13,covalent,SING,O9,H26,,,,,5133,bmse000254,1
14,covalent,SING,C4,O8,,,,,5133,bmse000254,1
15,covalent,SING,O8,H25,,,,,5133,bmse000254,1
16,covalent,SING,O15,C6,,,,,5133,bmse000254,1
17,covalent,SING,O15,C3,,,,,5133,bmse000254,1
18,covalent,SING,C2,C6,,,,,5133,bmse000254,1
19,covalent,SING,C2,H19,,,,,5133,bmse000254,1
20,covalent,SING,C2,H20,,,,,5133,bmse000254,1
21,covalent,SING,C3,C1,,,,,5133,bmse000254,1
22,covalent,SING,C1,H17,,,,,5133,bmse000254,1
23,covalent,SING,C1,H18,,,,,5133,bmse000254,1
24,covalent,SING,C6,C5,,,,,5133,bmse000254,1
25,covalent,SING,C3,C4,,,,,5133,bmse000254,1
26,covalent,SING,C3,H21,,,,,5133,bmse000254,1
27,covalent,SING,C5,C4,,,,,5133,bmse000254,1
28,covalent,SING,C5,H23,,,,,5133,bmse000254,1
29,covalent,SING,C4,H22,,,,,5133,bmse000254,1
1,covalent,SING,P31,O28,,,,,5155,bmse000255,1
2,covalent,SING,P31,O27,,,,,5155,bmse000255,1
3,covalent,SING,P31,O23,,,,,5155,bmse000255,1
4,covalent,DOUB,P31,O24,,,,,5155,bmse000255,1
5,covalent,SING,P30,O28,,,,,5155,bmse000255,1
6,covalent,SING,P30,O25,,,,,5155,bmse000255,1
7,covalent,SING,P30,O21,,,,,5155,bmse000255,1
8,covalent,DOUB,P30,O22,,,,,5155,bmse000255,1
9,covalent,SING,P29,O27,,,,,5155,bmse000255,1
10,covalent,SING,P29,O18,,,,,5155,bmse000255,1
11,covalent,SING,P29,O19,,,,,5155,bmse000255,1
12,covalent,DOUB,P29,O20,,,,,5155,bmse000255,1
13,covalent,SING,O25,C1,,,,,5155,bmse000255,1
14,covalent,SING,O23,H46,,,,,5155,bmse000255,1
15,covalent,SING,O21,H45,,,,,5155,bmse000255,1
16,covalent,SING,O18,H43,,,,,5155,bmse000255,1
17,covalent,SING,O19,H44,,,,,5155,bmse000255,1
18,covalent,SING,C7,O16,,,,,5155,bmse000255,1
19,covalent,SING,O16,H42,,,,,5155,bmse000255,1
20,covalent,SING,C6,O15,,,,,5155,bmse000255,1
21,covalent,SING,O15,H41,,,,,5155,bmse000255,1
22,covalent,SING,O26,C10,,,,,5155,bmse000255,1
23,covalent,SING,O26,C4,,,,,5155,bmse000255,1
24,covalent,DOUB,O17,C9,,,,,5155,bmse000255,1
25,covalent,SING,C10,N14,,,,,5155,bmse000255,1
26,covalent,SING,N14,C8,,,,,5155,bmse000255,1
27,covalent,SING,N14,C3,,,,,5155,bmse000255,1
28,covalent,SING,N11,C8,,,,,5155,bmse000255,1
29,covalent,SING,N11,C2,,,,,5155,bmse000255,1
30,covalent,SING,N11,H40,,,,,5155,bmse000255,1
31,covalent,SING,N12,C9,,,,,5155,bmse000255,1
32,covalent,DOUB,N12,C2,,,,,5155,bmse000255,1
33,covalent,SING,N13,C5,,,,,5155,bmse000255,1
34,covalent,DOUB,N13,C3,,,,,5155,bmse000255,1
35,covalent,SING,C4,C1,,,,,5155,bmse000255,1
36,covalent,SING,C1,H32,,,,,5155,bmse000255,1
37,covalent,SING,C1,H33,,,,,5155,bmse000255,1
38,covalent,SING,C10,C7,,,,,5155,bmse000255,1
39,covalent,SING,C10,H39,,,,,5155,bmse000255,1
40,covalent,SING,C4,C6,,,,,5155,bmse000255,1
41,covalent,SING,C4,H36,,,,,5155,bmse000255,1
42,covalent,SING,C7,C6,,,,,5155,bmse000255,1
43,covalent,SING,C7,H38,,,,,5155,bmse000255,1
44,covalent,SING,C6,H37,,,,,5155,bmse000255,1
45,covalent,DOUB,C8,C5,,,,,5155,bmse000255,1
46,covalent,SING,C9,C5,,,,,5155,bmse000255,1
47,covalent,SING,C2,H34,,,,,5155,bmse000255,1
48,covalent,SING,C3,H35,,,,,5155,bmse000255,1
1,covalent,DOUB,O2,C1,,,,,5176,bmse000256,1
2,covalent,SING,C1,H3,,,,,5176,bmse000256,1
3,covalent,SING,C1,H4,,,,,5176,bmse000256,1
1,covalent,SING,P31,O30,,,,,5199,bmse000257,1
2,covalent,SING,P31,O27,,,,,5199,bmse000257,1
3,covalent,SING,P31,O28,,,,,5199,bmse000257,1
4,covalent,DOUB,P31,O29,,,,,5199,bmse000257,1
5,covalent,SING,O30,C6,,,,,5199,bmse000257,1
6,covalent,SING,O27,H51,,,,,5199,bmse000257,1
7,covalent,SING,O28,H52,,,,,5199,bmse000257,1
8,covalent,SING,O24,C14,,,,,5199,bmse000257,1
9,covalent,SING,O24,H50,,,,,5199,bmse000257,1
10,covalent,SING,O23,C12,,,,,5199,bmse000257,1
11,covalent,SING,O23,H49,,,,,5199,bmse000257,1
12,covalent,SING,O22,C11,,,,,5199,bmse000257,1
13,covalent,SING,O22,H48,,,,,5199,bmse000257,1
14,covalent,DOUB,O26,C17,,,,,5199,bmse000257,1
15,covalent,DOUB,O25,C16,,,,,5199,bmse000257,1
16,covalent,SING,N21,C5,,,,,5199,bmse000257,1
17,covalent,SING,N21,C15,,,,,5199,bmse000257,1
18,covalent,SING,N21,C10,,,,,5199,bmse000257,1
19,covalent,SING,N20,C17,,,,,5199,bmse000257,1
20,covalent,SING,N20,C16,,,,,5199,bmse000257,1
21,covalent,SING,N20,H47,,,,,5199,bmse000257,1
22,covalent,SING,N19,C17,,,,,5199,bmse000257,1
23,covalent,DOUB,N19,C15,,,,,5199,bmse000257,1
24,covalent,DOUB,N18,C13,,,,,5199,bmse000257,1
25,covalent,SING,N18,C9,,,,,5199,bmse000257,1
26,covalent,SING,C14,C12,,,,,5199,bmse000257,1
27,covalent,SING,C14,C11,,,,,5199,bmse000257,1
28,covalent,SING,C14,H46,,,,,5199,bmse000257,1
29,covalent,SING,C12,C6,,,,,5199,bmse000257,1
30,covalent,SING,C12,H45,,,,,5199,bmse000257,1
31,covalent,SING,C11,C5,,,,,5199,bmse000257,1
32,covalent,SING,C11,H44,,,,,5199,bmse000257,1
33,covalent,SING,C6,H42,,,,,5199,bmse000257,1
34,covalent,SING,C6,H43,,,,,5199,bmse000257,1
35,covalent,SING,C5,H40,,,,,5199,bmse000257,1
36,covalent,SING,C5,H41,,,,,5199,bmse000257,1
37,covalent,SING,C2,C8,,,,,5199,bmse000257,1
38,covalent,SING,C2,H36,,,,,5199,bmse000257,1
39,covalent,SING,C2,H37,,,,,5199,bmse000257,1
40,covalent,SING,C2,H35,,,,,5199,bmse000257,1
41,covalent,SING,C1,C7,,,,,5199,bmse000257,1
42,covalent,SING,C1,H33,,,,,5199,bmse000257,1
43,covalent,SING,C1,H32,,,,,5199,bmse000257,1
44,covalent,SING,C1,H34,,,,,5199,bmse000257,1
45,covalent,SING,C15,C13,,,,,5199,bmse000257,1
46,covalent,SING,C16,C13,,,,,5199,bmse000257,1
47,covalent,DOUB,C10,C9,,,,,5199,bmse000257,1
48,covalent,SING,C10,C4,,,,,5199,bmse000257,1
49,covalent,SING,C9,C3,,,,,5199,bmse000257,1
50,covalent,SING,C8,C7,,,,,5199,bmse000257,1
51,covalent,DOUB,C8,C4,,,,,5199,bmse000257,1
52,covalent,DOUB,C7,C3,,,,,5199,bmse000257,1
53,covalent,SING,C4,H39,,,,,5199,bmse000257,1
54,covalent,SING,C3,H38,,,,,5199,bmse000257,1
1,covalent,SING,O4,C2,,,,,5220,bmse000258,1
2,covalent,SING,O4,H8,,,,,5220,bmse000258,1
3,covalent,DOUB,O3,C1,,,,,5220,bmse000258,1
4,covalent,SING,C2,C1,,,,,5220,bmse000258,1
5,covalent,SING,C2,H6,,,,,5220,bmse000258,1
6,covalent,SING,C2,H7,,,,,5220,bmse000258,1
7,covalent,SING,C1,H5,,,,,5220,bmse000258,1
1,covalent,SING,O9,C7,,,,,5241,bmse000259,1
2,covalent,SING,O9,H15,,,,,5241,bmse000259,1
3,covalent,DOUB,O8,C5,,,,,5241,bmse000259,1
4,covalent,SING,C5,C6,,,,,5241,bmse000259,1
5,covalent,SING,C5,H14,,,,,5241,bmse000259,1
6,covalent,SING,C7,C3,,,,,5241,bmse000259,1
7,covalent,DOUB,C7,C4,,,,,5241,bmse000259,1
8,covalent,SING,C6,C1,,,,,5241,bmse000259,1
9,covalent,DOUB,C6,C2,,,,,5241,bmse000259,1
10,covalent,DOUB,C3,C1,,,,,5241,bmse000259,1
11,covalent,SING,C3,H12,,,,,5241,bmse000259,1
12,covalent,SING,C4,C2,,,,,5241,bmse000259,1
13,covalent,SING,C4,H13,,,,,5241,bmse000259,1
14,covalent,SING,C1,H10,,,,,5241,bmse000259,1
15,covalent,SING,C2,H11,,,,,5241,bmse000259,1
1,covalent,SING,P22,O20,,,,,5263,bmse000260,1
2,covalent,SING,P22,O17,,,,,5263,bmse000260,1
3,covalent,DOUB,P22,O18,,,,,5263,bmse000260,1
4,covalent,SING,P22,O19,,,,,5263,bmse000260,1
5,covalent,SING,O20,C5,,,,,5263,bmse000260,1
6,covalent,SING,O17,H37,,,,,5263,bmse000260,1
7,covalent,SING,C9,O15,,,,,5263,bmse000260,1
8,covalent,SING,O15,H36,,,,,5263,bmse000260,1
9,covalent,SING,C8,O14,,,,,5263,bmse000260,1
10,covalent,SING,O14,H35,,,,,5263,bmse000260,1
11,covalent,SING,O21,C11,,,,,5263,bmse000260,1
12,covalent,SING,O21,C7,,,,,5263,bmse000260,1
13,covalent,DOUB,O16,C10,,,,,5263,bmse000260,1
14,covalent,SING,N12,C10,,,,,5263,bmse000260,1
15,covalent,SING,N12,H33,,,,,5263,bmse000260,1
16,covalent,SING,N12,H34,,,,,5263,bmse000260,1
17,covalent,SING,C11,N13,,,,,5263,bmse000260,1
18,covalent,SING,N13,C4,,,,,5263,bmse000260,1
19,covalent,DOUB,N13,C3,,,,,5263,bmse000260,1
20,covalent,SING,C7,C5,,,,,5263,bmse000260,1
21,covalent,SING,C5,H27,,,,,5263,bmse000260,1
22,covalent,SING,C5,H28,,,,,5263,bmse000260,1
23,covalent,SING,C11,C9,,,,,5263,bmse000260,1
24,covalent,SING,C11,H32,,,,,5263,bmse000260,1
25,covalent,SING,C7,C8,,,,,5263,bmse000260,1
26,covalent,SING,C7,H29,,,,,5263,bmse000260,1
27,covalent,SING,C9,C8,,,,,5263,bmse000260,1
28,covalent,SING,C9,H31,,,,,5263,bmse000260,1
29,covalent,SING,C8,H30,,,,,5263,bmse000260,1
30,covalent,SING,C10,C6,,,,,5263,bmse000260,1
31,covalent,DOUB,C6,C4,,,,,5263,bmse000260,1
32,covalent,SING,C6,C2,,,,,5263,bmse000260,1
33,covalent,SING,C4,H26,,,,,5263,bmse000260,1
34,covalent,SING,C3,C1,,,,,5263,bmse000260,1
35,covalent,SING,C3,H25,,,,,5263,bmse000260,1
36,covalent,DOUB,C2,C1,,,,,5263,bmse000260,1
37,covalent,SING,C2,H24,,,,,5263,bmse000260,1
38,covalent,SING,C1,H23,,,,,5263,bmse000260,1
1,covalent,SING,P8,O7,,,,,5283,bmse000261,1
2,covalent,SING,P8,O4,,,,,5283,bmse000261,1
3,covalent,SING,P8,O5,,,,,5283,bmse000261,1
4,covalent,DOUB,P8,O6,,,,,5283,bmse000261,1
5,covalent,SING,O7,C2,,,,,5283,bmse000261,1
6,covalent,SING,O4,H12,,,,,5283,bmse000261,1
7,covalent,SING,O5,H13,,,,,5283,bmse000261,1
8,covalent,DOUB,O3,C2,,,,,5283,bmse000261,1
9,covalent,SING,C1,C2,,,,,5283,bmse000261,1
10,covalent,SING,C1,H10,,,,,5283,bmse000261,1
11,covalent,SING,C1,H9,,,,,5283,bmse000261,1
12,covalent,SING,C1,H11,,,,,5283,bmse000261,1
1,covalent,SING,O12,C9,,,,,5304,bmse000262,1
2,covalent,SING,O12,H21,,,,,5304,bmse000262,1
3,covalent,SING,O10,C7,,,,,5304,bmse000262,1
4,covalent,SING,O10,H20,,,,,5304,bmse000262,1
5,covalent,DOUB,O13,C9,,,,,5304,bmse000262,1
6,covalent,DOUB,O11,C8,,,,,5304,bmse000262,1
7,covalent,SING,C5,C8,,,,,5304,bmse000262,1
8,covalent,SING,C5,C6,,,,,5304,bmse000262,1
9,covalent,SING,C5,H18,,,,,5304,bmse000262,1
10,covalent,SING,C5,H19,,,,,5304,bmse000262,1
11,covalent,SING,C9,C8,,,,,5304,bmse000262,1
12,covalent,SING,C7,C4,,,,,5304,bmse000262,1
13,covalent,DOUB,C7,C3,,,,,5304,bmse000262,1
14,covalent,DOUB,C6,C1,,,,,5304,bmse000262,1
15,covalent,SING,C6,C2,,,,,5304,bmse000262,1
16,covalent,DOUB,C4,C2,,,,,5304,bmse000262,1
17,covalent,SING,C4,H17,,,,,5304,bmse000262,1
18,covalent,SING,C3,C1,,,,,5304,bmse000262,1
19,covalent,SING,C3,H16,,,,,5304,bmse000262,1
20,covalent,SING,C1,H14,,,,,5304,bmse000262,1
21,covalent,SING,C2,H15,,,,,5304,bmse000262,1
1,covalent,SING,P47,O45,,,,,5324,bmse000263,1
2,covalent,SING,P47,O40,,,,,5324,bmse000263,1
3,covalent,SING,P47,O36,,,,,5324,bmse000263,1
4,covalent,DOUB,P47,O37,,,,,5324,bmse000263,1
5,covalent,SING,P48,O45,,,,,5324,bmse000263,1
6,covalent,SING,P48,O41,,,,,5324,bmse000263,1
7,covalent,SING,P48,O38,,,,,5324,bmse000263,1
8,covalent,DOUB,P48,O39,,,,,5324,bmse000263,1
9,covalent,SING,P46,O44,,,,,5324,bmse000263,1
10,covalent,SING,P46,O33,,,,,5324,bmse000263,1
11,covalent,SING,P46,O34,,,,,5324,bmse000263,1
12,covalent,DOUB,P46,O35,,,,,5324,bmse000263,1
13,covalent,SING,O40,C5,,,,,5324,bmse000263,1
14,covalent,SING,O41,C6,,,,,5324,bmse000263,1
15,covalent,SING,C16,O44,,,,,5324,bmse000263,1
16,covalent,SING,O36,H76,,,,,5324,bmse000263,1
17,covalent,SING,O38,H77,,,,,5324,bmse000263,1
18,covalent,SING,O33,H74,,,,,5324,bmse000263,1
19,covalent,SING,O34,H75,,,,,5324,bmse000263,1
20,covalent,SING,C15,O31,,,,,5324,bmse000263,1
21,covalent,SING,O31,H73,,,,,5324,bmse000263,1
22,covalent,SING,C13,O29,,,,,5324,bmse000263,1
23,covalent,SING,O29,H71,,,,,5324,bmse000263,1
24,covalent,SING,C14,O30,,,,,5324,bmse000263,1
25,covalent,SING,O30,H72,,,,,5324,bmse000263,1
26,covalent,SING,O42,C20,,,,,5324,bmse000263,1
27,covalent,SING,O42,C10,,,,,5324,bmse000263,1
28,covalent,SING,O43,C21,,,,,5324,bmse000263,1
29,covalent,SING,O43,C11,,,,,5324,bmse000263,1
30,covalent,DOUB,O32,C18,,,,,5324,bmse000263,1
31,covalent,SING,N23,C18,,,,,5324,bmse000263,1
32,covalent,SING,N23,H69,,,,,5324,bmse000263,1
33,covalent,SING,N23,H70,,,,,5324,bmse000263,1
34,covalent,SING,N22,C17,,,,,5324,bmse000263,1
35,covalent,SING,N22,H67,,,,,5324,bmse000263,1
36,covalent,SING,N22,H68,,,,,5324,bmse000263,1
37,covalent,SING,C20,N27,,,,,5324,bmse000263,1
38,covalent,SING,N27,C4,,,,,5324,bmse000263,1
39,covalent,DOUB,N27,C3,,,,,5324,bmse000263,1
40,covalent,SING,C21,N28,,,,,5324,bmse000263,1
41,covalent,SING,N28,C19,,,,,5324,bmse000263,1
42,covalent,SING,N28,C8,,,,,5324,bmse000263,1
43,covalent,SING,N26,C12,,,,,5324,bmse000263,1
44,covalent,DOUB,N26,C8,,,,,5324,bmse000263,1
45,covalent,SING,N24,C17,,,,,5324,bmse000263,1
46,covalent,DOUB,N24,C7,,,,,5324,bmse000263,1
47,covalent,DOUB,N25,C19,,,,,5324,bmse000263,1
48,covalent,SING,N25,C7,,,,,5324,bmse000263,1
49,covalent,SING,C10,C5,,,,,5324,bmse000263,1
50,covalent,SING,C5,H53,,,,,5324,bmse000263,1
51,covalent,SING,C5,H54,,,,,5324,bmse000263,1
52,covalent,SING,C11,C6,,,,,5324,bmse000263,1
53,covalent,SING,C6,H55,,,,,5324,bmse000263,1
54,covalent,SING,C6,H56,,,,,5324,bmse000263,1
55,covalent,SING,C20,C15,,,,,5324,bmse000263,1
56,covalent,SING,C20,H65,,,,,5324,bmse000263,1
57,covalent,SING,C21,C16,,,,,5324,bmse000263,1
58,covalent,SING,C21,H66,,,,,5324,bmse000263,1
59,covalent,SING,C10,C13,,,,,5324,bmse000263,1
60,covalent,SING,C10,H59,,,,,5324,bmse000263,1
61,covalent,SING,C11,C14,,,,,5324,bmse000263,1
62,covalent,SING,C11,H60,,,,,5324,bmse000263,1
63,covalent,SING,C15,C13,,,,,5324,bmse000263,1
64,covalent,SING,C15,H63,,,,,5324,bmse000263,1
65,covalent,SING,C16,C14,,,,,5324,bmse000263,1
66,covalent,SING,C16,H64,,,,,5324,bmse000263,1
67,covalent,SING,C13,H61,,,,,5324,bmse000263,1
68,covalent,SING,C14,H62,,,,,5324,bmse000263,1
69,covalent,SING,C18,C9,,,,,5324,bmse000263,1
70,covalent,DOUB,C17,C12,,,,,5324,bmse000263,1
71,covalent,SING,C19,C12,,,,,5324,bmse000263,1
72,covalent,DOUB,C9,C4,,,,,5324,bmse000263,1
73,covalent,SING,C9,C2,,,,,5324,bmse000263,1
74,covalent,SING,C8,H58,,,,,5324,bmse000263,1
75,covalent,SING,C7,H57,,,,,5324,bmse000263,1
76,covalent,SING,C4,H52,,,,,5324,bmse000263,1
77,covalent,SING,C3,C1,,,,,5324,bmse000263,1
78,covalent,SING,C3,H51,,,,,5324,bmse000263,1
79,covalent,DOUB,C2,C1,,,,,5324,bmse000263,1
80,covalent,SING,C2,H50,,,,,5324,bmse000263,1
81,covalent,SING,C1,H49,,,,,5324,bmse000263,1
1,covalent,SING,P14,O13,,,,,5345,bmse000264,1
2,covalent,SING,P14,O10,,,,,5345,bmse000264,1
3,covalent,SING,P14,O11,,,,,5345,bmse000264,1
4,covalent,DOUB,P14,O12,,,,,5345,bmse000264,1
5,covalent,SING,O13,C6,,,,,5345,bmse000264,1
6,covalent,SING,O10,H19,,,,,5345,bmse000264,1
7,covalent,SING,O11,H20,,,,,5345,bmse000264,1
8,covalent,DOUB,O8,N7,,,,,5345,bmse000264,1
9,covalent,SING,O9,N7,,,,,5345,bmse000264,1
10,covalent,SING,N7,C5,,,,,5345,bmse000264,1
11,covalent,SING,C6,C4,,,,,5345,bmse000264,1
12,covalent,DOUB,C6,C3,,,,,5345,bmse000264,1
13,covalent,DOUB,C5,C1,,,,,5345,bmse000264,1
14,covalent,SING,C5,C2,,,,,5345,bmse000264,1
15,covalent,DOUB,C4,C2,,,,,5345,bmse000264,1
16,covalent,SING,C4,H18,,,,,5345,bmse000264,1
17,covalent,SING,C3,C1,,,,,5345,bmse000264,1
18,covalent,SING,C3,H17,,,,,5345,bmse000264,1
19,covalent,SING,C1,H15,,,,,5345,bmse000264,1
20,covalent,SING,C2,H16,,,,,5345,bmse000264,1
1,covalent,SING,O9,C6,,,,,5367,bmse000265,1
2,covalent,SING,O9,H16,,,,,5367,bmse000265,1
3,covalent,SING,O8,C5,,,,,5367,bmse000265,1
4,covalent,SING,O8,H15,,,,,5367,bmse000265,1
5,covalent,DOUB,O10,N7,,,,,5367,bmse000265,1
6,covalent,SING,O11,N7,,,,,5367,bmse000265,1
7,covalent,SING,N7,C4,,,,,5367,bmse000265,1
8,covalent,DOUB,C6,C5,,,,,5367,bmse000265,1
9,covalent,SING,C6,C3,,,,,5367,bmse000265,1
10,covalent,SING,C5,C2,,,,,5367,bmse000265,1
11,covalent,DOUB,C4,C3,,,,,5367,bmse000265,1
12,covalent,SING,C4,C1,,,,,5367,bmse000265,1
13,covalent,SING,C3,H14,,,,,5367,bmse000265,1
14,covalent,DOUB,C2,C1,,,,,5367,bmse000265,1
15,covalent,SING,C2,H13,,,,,5367,bmse000265,1
16,covalent,SING,C1,H12,,,,,5367,bmse000265,1
1,covalent,SING,P25,O23,,,,,5389,bmse000266,1
2,covalent,SING,P25,O21,,,,,5389,bmse000266,1
3,covalent,SING,P25,O19,,,,,5389,bmse000266,1
4,covalent,DOUB,P25,O20,,,,,5389,bmse000266,1
5,covalent,SING,P24,O23,,,,,5389,bmse000266,1
6,covalent,SING,P24,O16,,,,,5389,bmse000266,1
7,covalent,SING,P24,O17,,,,,5389,bmse000266,1
8,covalent,DOUB,P24,O18,,,,,5389,bmse000266,1
9,covalent,SING,O21,C3,,,,,5389,bmse000266,1
10,covalent,SING,O19,H39,,,,,5389,bmse000266,1
11,covalent,SING,O16,H37,,,,,5389,bmse000266,1
12,covalent,SING,O17,H38,,,,,5389,bmse000266,1
13,covalent,SING,C7,O14,,,,,5389,bmse000266,1
14,covalent,SING,O14,H36,,,,,5389,bmse000266,1
15,covalent,SING,C6,O13,,,,,5389,bmse000266,1
16,covalent,SING,O13,H35,,,,,5389,bmse000266,1
17,covalent,SING,O22,C8,,,,,5389,bmse000266,1
18,covalent,SING,O22,C4,,,,,5389,bmse000266,1
19,covalent,DOUB,O15,C9,,,,,5389,bmse000266,1
20,covalent,DOUB,O12,C5,,,,,5389,bmse000266,1
21,covalent,SING,C8,N11,,,,,5389,bmse000266,1
22,covalent,SING,N11,C9,,,,,5389,bmse000266,1
23,covalent,SING,N11,C2,,,,,5389,bmse000266,1
24,covalent,SING,N10,C9,,,,,5389,bmse000266,1
25,covalent,SING,N10,C5,,,,,5389,bmse000266,1
26,covalent,SING,N10,H34,,,,,5389,bmse000266,1
27,covalent,SING,C4,C3,,,,,5389,bmse000266,1
28,covalent,SING,C3,H28,,,,,5389,bmse000266,1
29,covalent,SING,C3,H29,,,,,5389,bmse000266,1
30,covalent,SING,C8,C7,,,,,5389,bmse000266,1
31,covalent,SING,C8,H33,,,,,5389,bmse000266,1
32,covalent,SING,C4,C6,,,,,5389,bmse000266,1
33,covalent,SING,C4,H30,,,,,5389,bmse000266,1
34,covalent,SING,C7,C6,,,,,5389,bmse000266,1
35,covalent,SING,C7,H32,,,,,5389,bmse000266,1
36,covalent,SING,C6,H31,,,,,5389,bmse000266,1
37,covalent,SING,C5,C1,,,,,5389,bmse000266,1
38,covalent,DOUB,C2,C1,,,,,5389,bmse000266,1
39,covalent,SING,C2,H27,,,,,5389,bmse000266,1
40,covalent,SING,C1,H26,,,,,5389,bmse000266,1
1,covalent,DOUB,O3,C1,,,,,5410,bmse000267,1
2,covalent,SING,N2,C1,,,,,5410,bmse000267,1
3,covalent,SING,N2,H5,,,,,5410,bmse000267,1
4,covalent,SING,N2,H6,,,,,5410,bmse000267,1
5,covalent,SING,C1,H4,,,,,5410,bmse000267,1
1,covalent,SING,C2,O4,,,,,5433,bmse000269,1
2,covalent,SING,O4,H11,,,,,5433,bmse000269,1
3,covalent,SING,O5,C3,,,,,5433,bmse000269,1
4,covalent,SING,O5,H12,,,,,5433,bmse000269,1
5,covalent,DOUB,O6,C3,,,,,5433,bmse000269,1
6,covalent,SING,C2,C1,,,,,5433,bmse000269,1
7,covalent,SING,C2,C3,,,,,5433,bmse000269,1
8,covalent,SING,C2,H10,,,,,5433,bmse000269,1
9,covalent,SING,C1,H9,,,,,5433,bmse000269,1
10,covalent,SING,C1,H7,,,,,5433,bmse000269,1
11,covalent,SING,C1,H8,,,,,5433,bmse000269,1
1,covalent,SING,P28,O26,,,,,5454,bmse000270,1
2,covalent,SING,P28,O24,,,,,5454,bmse000270,1
3,covalent,SING,P28,O22,,,,,5454,bmse000270,1
4,covalent,DOUB,P28,O23,,,,,5454,bmse000270,1
5,covalent,SING,P27,O26,,,,,5454,bmse000270,1
6,covalent,SING,P27,O19,,,,,5454,bmse000270,1
7,covalent,SING,P27,O20,,,,,5454,bmse000270,1
8,covalent,DOUB,P27,O21,,,,,5454,bmse000270,1
9,covalent,SING,O24,C1,,,,,5454,bmse000270,1
10,covalent,SING,O22,H43,,,,,5454,bmse000270,1
11,covalent,SING,O19,H41,,,,,5454,bmse000270,1
12,covalent,SING,O20,H42,,,,,5454,bmse000270,1
13,covalent,SING,C6,O17,,,,,5454,bmse000270,1
14,covalent,SING,O17,H40,,,,,5454,bmse000270,1
15,covalent,SING,C5,O16,,,,,5454,bmse000270,1
16,covalent,SING,O16,H39,,,,,5454,bmse000270,1
17,covalent,SING,O25,C9,,,,,5454,bmse000270,1
18,covalent,SING,O25,C3,,,,,5454,bmse000270,1
19,covalent,DOUB,O18,C8,,,,,5454,bmse000270,1
20,covalent,SING,N11,C10,,,,,5454,bmse000270,1
21,covalent,SING,N11,H36,,,,,5454,bmse000270,1
22,covalent,SING,N11,H37,,,,,5454,bmse000270,1
23,covalent,SING,C9,N15,,,,,5454,bmse000270,1
24,covalent,SING,N15,C7,,,,,5454,bmse000270,1
25,covalent,SING,N15,C2,,,,,5454,bmse000270,1
26,covalent,SING,N13,C10,,,,,5454,bmse000270,1
27,covalent,SING,N13,C7,,,,,5454,bmse000270,1
28,covalent,SING,N13,H38,,,,,5454,bmse000270,1
29,covalent,DOUB,N14,C10,,,,,5454,bmse000270,1
30,covalent,SING,N14,C8,,,,,5454,bmse000270,1
31,covalent,SING,N12,C4,,,,,5454,bmse000270,1
32,covalent,DOUB,N12,C2,,,,,5454,bmse000270,1
33,covalent,SING,C3,C1,,,,,5454,bmse000270,1
34,covalent,SING,C1,H29,,,,,5454,bmse000270,1
35,covalent,SING,C1,H30,,,,,5454,bmse000270,1
36,covalent,SING,C9,C6,,,,,5454,bmse000270,1
37,covalent,SING,C9,H35,,,,,5454,bmse000270,1
38,covalent,SING,C3,C5,,,,,5454,bmse000270,1
39,covalent,SING,C3,H32,,,,,5454,bmse000270,1
40,covalent,SING,C6,C5,,,,,5454,bmse000270,1
41,covalent,SING,C6,H34,,,,,5454,bmse000270,1
42,covalent,SING,C5,H33,,,,,5454,bmse000270,1
43,covalent,DOUB,C7,C4,,,,,5454,bmse000270,1
44,covalent,SING,C8,C4,,,,,5454,bmse000270,1
45,covalent,SING,C2,H31,,,,,5454,bmse000270,1
1,covalent,SING,S48,C6,,,,,5475,bmse000271,1
2,covalent,SING,S48,H84,,,,,5475,bmse000271,1
3,covalent,SING,P47,O44,,,,,5475,bmse000271,1
4,covalent,SING,P47,O41,,,,,5475,bmse000271,1
5,covalent,SING,P47,O38,,,,,5475,bmse000271,1
6,covalent,DOUB,P47,O39,,,,,5475,bmse000271,1
7,covalent,SING,P46,O44,,,,,5475,bmse000271,1
8,covalent,SING,P46,O40,,,,,5475,bmse000271,1
9,covalent,SING,P46,O36,,,,,5475,bmse000271,1
10,covalent,DOUB,P46,O37,,,,,5475,bmse000271,1
11,covalent,SING,P45,O43,,,,,5475,bmse000271,1
12,covalent,SING,P45,O33,,,,,5475,bmse000271,1
13,covalent,SING,P45,O34,,,,,5475,bmse000271,1
14,covalent,DOUB,P45,O35,,,,,5475,bmse000271,1
15,covalent,SING,O41,C8,,,,,5475,bmse000271,1
16,covalent,SING,O40,C7,,,,,5475,bmse000271,1
17,covalent,SING,C15,O43,,,,,5475,bmse000271,1
18,covalent,SING,O38,H83,,,,,5475,bmse000271,1
19,covalent,SING,O36,H82,,,,,5475,bmse000271,1
20,covalent,SING,O33,H80,,,,,5475,bmse000271,1
21,covalent,SING,O34,H81,,,,,5475,bmse000271,1
22,covalent,SING,O31,C16,,,,,5475,bmse000271,1
23,covalent,SING,O31,H79,,,,,5475,bmse000271,1
24,covalent,SING,C14,O30,,,,,5475,bmse000271,1
25,covalent,SING,O30,H78,,,,,5475,bmse000271,1
26,covalent,SING,O42,C20,,,,,5475,bmse000271,1
27,covalent,SING,O42,C11,,,,,5475,bmse000271,1
28,covalent,DOUB,O32,C19,,,,,5475,bmse000271,1
29,covalent,DOUB,O29,C12,,,,,5475,bmse000271,1
30,covalent,SING,N24,C4,,,,,5475,bmse000271,1
31,covalent,SING,N24,C19,,,,,5475,bmse000271,1
32,covalent,SING,N24,H77,,,,,5475,bmse000271,1
33,covalent,SING,N23,C5,,,,,5475,bmse000271,1
34,covalent,SING,N23,C12,,,,,5475,bmse000271,1
35,covalent,SING,N23,H76,,,,,5475,bmse000271,1
36,covalent,SING,N22,C17,,,,,5475,bmse000271,1
37,covalent,SING,N22,H74,,,,,5475,bmse000271,1
38,covalent,SING,N22,H75,,,,,5475,bmse000271,1
39,covalent,SING,C20,N28,,,,,5475,bmse000271,1
40,covalent,SING,N28,C18,,,,,5475,bmse000271,1
41,covalent,SING,N28,C10,,,,,5475,bmse000271,1
42,covalent,SING,N27,C13,,,,,5475,bmse000271,1
43,covalent,DOUB,N27,C10,,,,,5475,bmse000271,1
44,covalent,SING,N25,C17,,,,,5475,bmse000271,1
45,covalent,DOUB,N25,C9,,,,,5475,bmse000271,1
46,covalent,DOUB,N26,C18,,,,,5475,bmse000271,1
47,covalent,SING,N26,C9,,,,,5475,bmse000271,1
48,covalent,SING,C21,C16,,,,,5475,bmse000271,1
49,covalent,SING,C21,C8,,,,,5475,bmse000271,1
50,covalent,SING,C21,C1,,,,,5475,bmse000271,1
51,covalent,SING,C21,C2,,,,,5475,bmse000271,1
52,covalent,SING,C16,C19,,,,,5475,bmse000271,1
53,covalent,SING,C16,H72,,,,,5475,bmse000271,1
54,covalent,SING,C6,C5,,,,,5475,bmse000271,1
55,covalent,SING,C6,H61,,,,,5475,bmse000271,1
56,covalent,SING,C6,H62,,,,,5475,bmse000271,1
57,covalent,SING,C8,H65,,,,,5475,bmse000271,1
58,covalent,SING,C8,H66,,,,,5475,bmse000271,1
59,covalent,SING,C5,H59,,,,,5475,bmse000271,1
60,covalent,SING,C5,H60,,,,,5475,bmse000271,1
61,covalent,SING,C4,C3,,,,,5475,bmse000271,1
62,covalent,SING,C4,H57,,,,,5475,bmse000271,1
63,covalent,SING,C4,H58,,,,,5475,bmse000271,1
64,covalent,SING,C11,C7,,,,,5475,bmse000271,1
65,covalent,SING,C7,H63,,,,,5475,bmse000271,1
66,covalent,SING,C7,H64,,,,,5475,bmse000271,1
67,covalent,SING,C3,C12,,,,,5475,bmse000271,1
68,covalent,SING,C3,H55,,,,,5475,bmse000271,1
69,covalent,SING,C3,H56,,,,,5475,bmse000271,1
70,covalent,SING,C1,H49,,,,,5475,bmse000271,1
71,covalent,SING,C1,H51,,,,,5475,bmse000271,1
72,covalent,SING,C1,H50,,,,,5475,bmse000271,1
73,covalent,SING,C2,H54,,,,,5475,bmse000271,1
74,covalent,SING,C2,H52,,,,,5475,bmse000271,1
75,covalent,SING,C2,H53,,,,,5475,bmse000271,1
76,covalent,SING,C20,C14,,,,,5475,bmse000271,1
77,covalent,SING,C20,H73,,,,,5475,bmse000271,1
78,covalent,SING,C11,C15,,,,,5475,bmse000271,1
79,covalent,SING,C11,H69,,,,,5475,bmse000271,1
80,covalent,SING,C14,C15,,,,,5475,bmse000271,1
81,covalent,SING,C14,H70,,,,,5475,bmse000271,1
82,covalent,SING,C15,H71,,,,,5475,bmse000271,1
83,covalent,DOUB,C17,C13,,,,,5475,bmse000271,1
84,covalent,SING,C18,C13,,,,,5475,bmse000271,1
85,covalent,SING,C10,H68,,,,,5475,bmse000271,1
86,covalent,SING,C9,H67,,,,,5475,bmse000271,1
1,covalent,SING,P25,O23,,,,,5494,bmse000272,1
2,covalent,SING,P25,O21,,,,,5494,bmse000272,1
3,covalent,SING,P25,O19,,,,,5494,bmse000272,1
4,covalent,DOUB,P25,O20,,,,,5494,bmse000272,1
5,covalent,SING,P24,O23,,,,,5494,bmse000272,1
6,covalent,SING,P24,O16,,,,,5494,bmse000272,1
7,covalent,SING,P24,O17,,,,,5494,bmse000272,1
8,covalent,DOUB,P24,O18,,,,,5494,bmse000272,1
9,covalent,SING,O21,C3,,,,,5494,bmse000272,1
10,covalent,SING,O19,H40,,,,,5494,bmse000272,1
11,covalent,SING,O16,H38,,,,,5494,bmse000272,1
12,covalent,SING,O17,H39,,,,,5494,bmse000272,1
13,covalent,SING,C7,O14,,,,,5494,bmse000272,1
14,covalent,SING,O14,H37,,,,,5494,bmse000272,1
15,covalent,SING,C6,O13,,,,,5494,bmse000272,1
16,covalent,SING,O13,H36,,,,,5494,bmse000272,1
17,covalent,SING,O22,C8,,,,,5494,bmse000272,1
18,covalent,SING,O22,C4,,,,,5494,bmse000272,1
19,covalent,DOUB,O15,C9,,,,,5494,bmse000272,1
20,covalent,SING,N10,C5,,,,,5494,bmse000272,1
21,covalent,SING,N10,H34,,,,,5494,bmse000272,1
22,covalent,SING,N10,H35,,,,,5494,bmse000272,1
23,covalent,SING,C8,N12,,,,,5494,bmse000272,1
24,covalent,SING,N12,C9,,,,,5494,bmse000272,1
25,covalent,SING,N12,C2,,,,,5494,bmse000272,1
26,covalent,SING,N11,C9,,,,,5494,bmse000272,1
27,covalent,DOUB,N11,C5,,,,,5494,bmse000272,1
28,covalent,SING,C4,C3,,,,,5494,bmse000272,1
29,covalent,SING,C3,H28,,,,,5494,bmse000272,1
30,covalent,SING,C3,H29,,,,,5494,bmse000272,1
31,covalent,SING,C8,C7,,,,,5494,bmse000272,1
32,covalent,SING,C8,H33,,,,,5494,bmse000272,1
33,covalent,SING,C4,C6,,,,,5494,bmse000272,1
34,covalent,SING,C4,H30,,,,,5494,bmse000272,1
35,covalent,SING,C7,C6,,,,,5494,bmse000272,1
36,covalent,SING,C7,H32,,,,,5494,bmse000272,1
37,covalent,SING,C6,H31,,,,,5494,bmse000272,1
38,covalent,SING,C5,C1,,,,,5494,bmse000272,1
39,covalent,DOUB,C2,C1,,,,,5494,bmse000272,1
40,covalent,SING,C2,H27,,,,,5494,bmse000272,1
41,covalent,SING,C1,H26,,,,,5494,bmse000272,1
1,covalent,SING,O8,C4,,,,,5516,bmse000273,1
2,covalent,SING,O8,H16,,,,,5516,bmse000273,1
3,covalent,SING,O6,C3,,,,,5516,bmse000273,1
4,covalent,SING,O6,H15,,,,,5516,bmse000273,1
5,covalent,DOUB,O9,C4,,,,,5516,bmse000273,1
6,covalent,DOUB,O7,C3,,,,,5516,bmse000273,1
7,covalent,SING,C2,N5,,,,,5516,bmse000273,1
8,covalent,SING,N5,H13,,,,,5516,bmse000273,1
9,covalent,SING,N5,H14,,,,,5516,bmse000273,1
10,covalent,SING,C2,C1,,,,,5516,bmse000273,1
11,covalent,SING,C2,C4,,,,,5516,bmse000273,1
12,covalent,SING,C2,H12,,,,,5516,bmse000273,1
13,covalent,SING,C1,C3,,,,,5516,bmse000273,1
14,covalent,SING,C1,H10,,,,,5516,bmse000273,1
15,covalent,SING,C1,H11,,,,,5516,bmse000273,1
1,covalent,SING,S18,C11,,,,,5538,bmse000274,1
2,covalent,SING,S18,C7,,,,,5538,bmse000274,1
3,covalent,SING,O17,C4,,,,,5538,bmse000274,1
4,covalent,SING,O17,H35,,,,,5538,bmse000274,1
5,covalent,SING,N13,C12,,,,,5538,bmse000274,1
6,covalent,SING,N13,H33,,,,,5538,bmse000274,1
7,covalent,SING,N13,H34,,,,,5538,bmse000274,1
8,covalent,SING,N16,C6,,,,,5538,bmse000274,1
9,covalent,SING,N16,C8,,,,,5538,bmse000274,1
10,covalent,DOUB,N16,C7,,,,,5538,bmse000274,1
11,covalent,SING,N15,C9,,,,,5538,bmse000274,1
12,covalent,DOUB,N15,C12,,,,,5538,bmse000274,1
13,covalent,DOUB,N14,C9,,,,,5538,bmse000274,1
14,covalent,SING,N14,C5,,,,,5538,bmse000274,1
15,covalent,SING,C4,C3,,,,,5538,bmse000274,1
16,covalent,SING,C4,H27,,,,,5538,bmse000274,1
17,covalent,SING,C4,H28,,,,,5538,bmse000274,1
18,covalent,SING,C3,C11,,,,,5538,bmse000274,1
19,covalent,SING,C3,H25,,,,,5538,bmse000274,1
20,covalent,SING,C3,H26,,,,,5538,bmse000274,1
21,covalent,SING,C6,C10,,,,,5538,bmse000274,1
22,covalent,SING,C6,H30,,,,,5538,bmse000274,1
23,covalent,SING,C6,H31,,,,,5538,bmse000274,1
24,covalent,SING,C2,C9,,,,,5538,bmse000274,1
25,covalent,SING,C2,H24,,,,,5538,bmse000274,1
26,covalent,SING,C2,H22,,,,,5538,bmse000274,1
27,covalent,SING,C2,H23,,,,,5538,bmse000274,1
28,covalent,SING,C1,C8,,,,,5538,bmse000274,1
29,covalent,SING,C1,H20,,,,,5538,bmse000274,1
30,covalent,SING,C1,H19,,,,,5538,bmse000274,1
31,covalent,SING,C1,H21,,,,,5538,bmse000274,1
32,covalent,SING,C12,C10,,,,,5538,bmse000274,1
33,covalent,DOUB,C11,C8,,,,,5538,bmse000274,1
34,covalent,DOUB,C10,C5,,,,,5538,bmse000274,1
35,covalent,SING,C7,H32,,,,,5538,bmse000274,1
36,covalent,SING,C5,H29,,,,,5538,bmse000274,1
1,covalent,SING,P19,O16,,,,,5559,bmse000275,1
2,covalent,SING,P19,O10,,,,,5559,bmse000275,1
3,covalent,SING,P19,O11,,,,,5559,bmse000275,1
4,covalent,DOUB,P19,O12,,,,,5559,bmse000275,1
5,covalent,SING,P20,O18,,,,,5559,bmse000275,1
6,covalent,SING,P20,O13,,,,,5559,bmse000275,1
7,covalent,SING,P20,O14,,,,,5559,bmse000275,1
8,covalent,DOUB,P20,O15,,,,,5559,bmse000275,1
9,covalent,SING,O16,C1,,,,,5559,bmse000275,1
10,covalent,SING,C6,O18,,,,,5559,bmse000275,1
11,covalent,SING,O10,H31,,,,,5559,bmse000275,1
12,covalent,SING,O11,H32,,,,,5559,bmse000275,1
13,covalent,SING,O13,H33,,,,,5559,bmse000275,1
14,covalent,SING,O14,H34,,,,,5559,bmse000275,1
15,covalent,SING,O7,C2,,,,,5559,bmse000275,1
16,covalent,SING,O7,H28,,,,,5559,bmse000275,1
17,covalent,SING,C5,O9,,,,,5559,bmse000275,1
18,covalent,SING,O9,H30,,,,,5559,bmse000275,1
19,covalent,SING,C4,O8,,,,,5559,bmse000275,1
20,covalent,SING,O8,H29,,,,,5559,bmse000275,1
21,covalent,SING,O17,C6,,,,,5559,bmse000275,1
22,covalent,SING,O17,C3,,,,,5559,bmse000275,1
23,covalent,SING,C2,C6,,,,,5559,bmse000275,1
24,covalent,SING,C2,H23,,,,,5559,bmse000275,1
25,covalent,SING,C2,H24,,,,,5559,bmse000275,1
26,covalent,SING,C3,C1,,,,,5559,bmse000275,1
27,covalent,SING,C1,H21,,,,,5559,bmse000275,1
28,covalent,SING,C1,H22,,,,,5559,bmse000275,1
29,covalent,SING,C6,C5,,,,,5559,bmse000275,1
30,covalent,SING,C3,C4,,,,,5559,bmse000275,1
31,covalent,SING,C3,H25,,,,,5559,bmse000275,1
32,covalent,SING,C5,C4,,,,,5559,bmse000275,1
33,covalent,SING,C5,H27,,,,,5559,bmse000275,1
34,covalent,SING,C4,H26,,,,,5559,bmse000275,1
1,covalent,SING,O4,C2,,,,,5581,bmse000276,1
2,covalent,SING,O4,H11,,,,,5581,bmse000276,1
3,covalent,SING,N3,C1,,,,,5581,bmse000276,1
4,covalent,SING,N3,H9,,,,,5581,bmse000276,1
5,covalent,SING,N3,H10,,,,,5581,bmse000276,1
6,covalent,SING,C2,C1,,,,,5581,bmse000276,1
7,covalent,SING,C2,H7,,,,,5581,bmse000276,1
8,covalent,SING,C2,H8,,,,,5581,bmse000276,1
9,covalent,SING,C1,H5,,,,,5581,bmse000276,1
10,covalent,SING,C1,H6,,,,,5581,bmse000276,1
1,covalent,SING,P29,O26,,,,,5604,bmse000277,1
2,covalent,SING,P29,O25,,,,,5604,bmse000277,1
3,covalent,SING,P29,O21,,,,,5604,bmse000277,1
4,covalent,DOUB,P29,O22,,,,,5604,bmse000277,1
5,covalent,SING,P28,O26,,,,,5604,bmse000277,1
6,covalent,SING,P28,O23,,,,,5604,bmse000277,1
7,covalent,SING,P28,O19,,,,,5604,bmse000277,1
8,covalent,DOUB,P28,O20,,,,,5604,bmse000277,1
9,covalent,SING,P27,O25,,,,,5604,bmse000277,1
10,covalent,SING,P27,O16,,,,,5604,bmse000277,1
11,covalent,SING,P27,O17,,,,,5604,bmse000277,1
12,covalent,DOUB,P27,O18,,,,,5604,bmse000277,1
13,covalent,SING,O23,C3,,,,,5604,bmse000277,1
14,covalent,SING,O21,H45,,,,,5604,bmse000277,1
15,covalent,SING,O19,H44,,,,,5604,bmse000277,1
16,covalent,SING,O16,H42,,,,,5604,bmse000277,1
17,covalent,SING,O17,H43,,,,,5604,bmse000277,1
18,covalent,SING,C7,O14,,,,,5604,bmse000277,1
19,covalent,SING,O14,H41,,,,,5604,bmse000277,1
20,covalent,SING,C6,O13,,,,,5604,bmse000277,1
21,covalent,SING,O13,H40,,,,,5604,bmse000277,1
22,covalent,SING,O24,C8,,,,,5604,bmse000277,1
23,covalent,SING,O24,C4,,,,,5604,bmse000277,1
24,covalent,DOUB,O15,C9,,,,,5604,bmse000277,1
25,covalent,SING,N10,C5,,,,,5604,bmse000277,1
26,covalent,SING,N10,H38,,,,,5604,bmse000277,1
27,covalent,SING,N10,H39,,,,,5604,bmse000277,1
28,covalent,SING,C8,N12,,,,,5604,bmse000277,1
29,covalent,SING,N12,C9,,,,,5604,bmse000277,1
30,covalent,SING,N12,C2,,,,,5604,bmse000277,1
31,covalent,SING,N11,C9,,,,,5604,bmse000277,1
32,covalent,DOUB,N11,C5,,,,,5604,bmse000277,1
33,covalent,SING,C4,C3,,,,,5604,bmse000277,1
34,covalent,SING,C3,H32,,,,,5604,bmse000277,1
35,covalent,SING,C3,H33,,,,,5604,bmse000277,1
36,covalent,SING,C8,C7,,,,,5604,bmse000277,1
37,covalent,SING,C8,H37,,,,,5604,bmse000277,1
38,covalent,SING,C4,C6,,,,,5604,bmse000277,1
39,covalent,SING,C4,H34,,,,,5604,bmse000277,1
40,covalent,SING,C7,C6,,,,,5604,bmse000277,1
41,covalent,SING,C7,H36,,,,,5604,bmse000277,1
42,covalent,SING,C6,H35,,,,,5604,bmse000277,1
43,covalent,SING,C5,C1,,,,,5604,bmse000277,1
44,covalent,DOUB,C2,C1,,,,,5604,bmse000277,1
45,covalent,SING,C2,H31,,,,,5604,bmse000277,1
46,covalent,SING,C1,H30,,,,,5604,bmse000277,1
1,covalent,SING,P14,O13,,,,,5626,bmse000278,1
2,covalent,SING,P14,O10,,,,,5626,bmse000278,1
3,covalent,SING,P14,O11,,,,,5626,bmse000278,1
4,covalent,DOUB,P14,O12,,,,,5626,bmse000278,1
5,covalent,SING,O13,C2,,,,,5626,bmse000278,1
6,covalent,SING,O10,H24,,,,,5626,bmse000278,1
7,covalent,SING,O11,H25,,,,,5626,bmse000278,1
8,covalent,SING,C5,O9,,,,,5626,bmse000278,1
9,covalent,SING,O9,H23,,,,,5626,bmse000278,1
10,covalent,SING,C4,O8,,,,,5626,bmse000278,1
11,covalent,SING,O8,H22,,,,,5626,bmse000278,1
12,covalent,SING,C3,O7,,,,,5626,bmse000278,1
13,covalent,SING,O7,H21,,,,,5626,bmse000278,1
14,covalent,DOUB,O6,C1,,,,,5626,bmse000278,1
15,covalent,SING,C5,C4,,,,,5626,bmse000278,1
16,covalent,SING,C5,C3,,,,,5626,bmse000278,1
17,covalent,SING,C5,H20,,,,,5626,bmse000278,1
18,covalent,SING,C4,C2,,,,,5626,bmse000278,1
19,covalent,SING,C4,H19,,,,,5626,bmse000278,1
20,covalent,SING,C3,C1,,,,,5626,bmse000278,1
21,covalent,SING,C3,H18,,,,,5626,bmse000278,1
22,covalent,SING,C2,H16,,,,,5626,bmse000278,1
23,covalent,SING,C2,H17,,,,,5626,bmse000278,1
24,covalent,SING,C1,H15,,,,,5626,bmse000278,1
1,covalent,SING,O9,C6,,,,,5647,bmse000279,1
2,covalent,SING,O9,H16,,,,,5647,bmse000279,1
3,covalent,DOUB,O10,C6,,,,,5647,bmse000279,1
4,covalent,SING,N8,C5,,,,,5647,bmse000279,1
5,covalent,SING,N8,C4,,,,,5647,bmse000279,1
6,covalent,SING,N8,H15,,,,,5647,bmse000279,1
7,covalent,DOUB,N7,C4,,,,,5647,bmse000279,1
8,covalent,SING,N7,C3,,,,,5647,bmse000279,1
9,covalent,SING,C6,C2,,,,,5647,bmse000279,1
10,covalent,DOUB,C2,C1,,,,,5647,bmse000279,1
11,covalent,SING,C2,H12,,,,,5647,bmse000279,1
12,covalent,SING,C1,C5,,,,,5647,bmse000279,1
13,covalent,SING,C1,H11,,,,,5647,bmse000279,1
14,covalent,DOUB,C5,C3,,,,,5647,bmse000279,1
15,covalent,SING,C4,H14,,,,,5647,bmse000279,1
16,covalent,SING,C3,H13,,,,,5647,bmse000279,1
1,covalent,SING,P21,O19,,,,,5668,bmse000280,1
2,covalent,SING,P21,O16,,,,,5668,bmse000280,1
3,covalent,SING,P21,O17,,,,,5668,bmse000280,1
4,covalent,DOUB,P21,O18,,,,,5668,bmse000280,1
5,covalent,SING,O19,C3,,,,,5668,bmse000280,1
6,covalent,SING,O16,H33,,,,,5668,bmse000280,1
7,covalent,SING,O17,H34,,,,,5668,bmse000280,1
8,covalent,SING,C7,O14,,,,,5668,bmse000280,1
9,covalent,SING,O14,H32,,,,,5668,bmse000280,1
10,covalent,SING,C6,O13,,,,,5668,bmse000280,1
11,covalent,SING,O13,H31,,,,,5668,bmse000280,1
12,covalent,SING,O20,C8,,,,,5668,bmse000280,1
13,covalent,SING,O20,C4,,,,,5668,bmse000280,1
14,covalent,DOUB,O15,C9,,,,,5668,bmse000280,1
15,covalent,DOUB,O12,C5,,,,,5668,bmse000280,1
16,covalent,SING,C8,N11,,,,,5668,bmse000280,1
17,covalent,SING,N11,C9,,,,,5668,bmse000280,1
18,covalent,SING,N11,C2,,,,,5668,bmse000280,1
19,covalent,SING,N10,C9,,,,,5668,bmse000280,1
20,covalent,SING,N10,C5,,,,,5668,bmse000280,1
21,covalent,SING,N10,H30,,,,,5668,bmse000280,1
22,covalent,SING,C4,C3,,,,,5668,bmse000280,1
23,covalent,SING,C3,H24,,,,,5668,bmse000280,1
24,covalent,SING,C3,H25,,,,,5668,bmse000280,1
25,covalent,SING,C8,C7,,,,,5668,bmse000280,1
26,covalent,SING,C8,H29,,,,,5668,bmse000280,1
27,covalent,SING,C4,C6,,,,,5668,bmse000280,1
28,covalent,SING,C4,H26,,,,,5668,bmse000280,1
29,covalent,SING,C7,C6,,,,,5668,bmse000280,1
30,covalent,SING,C7,H28,,,,,5668,bmse000280,1
31,covalent,SING,C6,H27,,,,,5668,bmse000280,1
32,covalent,SING,C5,C1,,,,,5668,bmse000280,1
33,covalent,DOUB,C2,C1,,,,,5668,bmse000280,1
34,covalent,SING,C2,H23,,,,,5668,bmse000280,1
35,covalent,SING,C1,H22,,,,,5668,bmse000280,1
1,covalent,DOUB,O9,C6,,,,,5689,bmse000281,1
2,covalent,SING,N7,C6,,,,,5689,bmse000281,1
3,covalent,SING,N7,H14,,,,,5689,bmse000281,1
4,covalent,SING,N7,H15,,,,,5689,bmse000281,1
5,covalent,SING,N8,C4,,,,,5689,bmse000281,1
6,covalent,DOUB,N8,C3,,,,,5689,bmse000281,1
7,covalent,SING,C6,C5,,,,,5689,bmse000281,1
8,covalent,DOUB,C5,C4,,,,,5689,bmse000281,1
9,covalent,SING,C5,C2,,,,,5689,bmse000281,1
10,covalent,SING,C4,H13,,,,,5689,bmse000281,1
11,covalent,SING,C3,C1,,,,,5689,bmse000281,1
12,covalent,SING,C3,H12,,,,,5689,bmse000281,1
13,covalent,DOUB,C2,C1,,,,,5689,bmse000281,1
14,covalent,SING,C2,H11,,,,,5689,bmse000281,1
15,covalent,SING,C1,H10,,,,,5689,bmse000281,1
1,covalent,SING,O5,C3,,,,,5710,bmse000282,1
2,covalent,SING,O5,H13,,,,,5710,bmse000282,1
3,covalent,DOUB,O6,C3,,,,,5710,bmse000282,1
4,covalent,SING,N4,C2,,,,,5710,bmse000282,1
5,covalent,SING,N4,H11,,,,,5710,bmse000282,1
6,covalent,SING,N4,H12,,,,,5710,bmse000282,1
7,covalent,SING,C2,C1,,,,,5710,bmse000282,1
8,covalent,SING,C2,C3,,,,,5710,bmse000282,1
9,covalent,SING,C2,H10,,,,,5710,bmse000282,1
10,covalent,SING,C1,H9,,,,,5710,bmse000282,1
11,covalent,SING,C1,H8,,,,,5710,bmse000282,1
12,covalent,SING,C1,H7,,,,,5710,bmse000282,1
1,covalent,SING,O9,C4,,,,,5730,bmse000283,1
2,covalent,SING,O9,H15,,,,,5730,bmse000283,1
3,covalent,DOUB,O10,C4,,,,,5730,bmse000283,1
4,covalent,DOUB,O11,C5,,,,,5730,bmse000283,1
5,covalent,DOUB,O8,C3,,,,,5730,bmse000283,1
6,covalent,SING,N7,C5,,,,,5730,bmse000283,1
7,covalent,SING,N7,C3,,,,,5730,bmse000283,1
8,covalent,SING,N7,H14,,,,,5730,bmse000283,1
9,covalent,SING,N6,C5,,,,,5730,bmse000283,1
10,covalent,SING,N6,C2,,,,,5730,bmse000283,1
11,covalent,SING,N6,H13,,,,,5730,bmse000283,1
12,covalent,SING,C4,C2,,,,,5730,bmse000283,1
13,covalent,SING,C3,C1,,,,,5730,bmse000283,1
14,covalent,DOUB,C2,C1,,,,,5730,bmse000283,1
15,covalent,SING,C1,H12,,,,,5730,bmse000283,1
1,covalent,TRIP,N8,C6,,,,,5751,bmse000284,1
2,covalent,DOUB,C7,C4,,,,,5751,bmse000284,1
3,covalent,SING,C7,C5,,,,,5751,bmse000284,1
4,covalent,SING,C7,C6,,,,,5751,bmse000284,1
5,covalent,SING,C4,C2,,,,,5751,bmse000284,1
6,covalent,SING,C4,H12,,,,,5751,bmse000284,1
7,covalent,DOUB,C5,C3,,,,,5751,bmse000284,1
8,covalent,SING,C5,H13,,,,,5751,bmse000284,1
9,covalent,DOUB,C2,C1,,,,,5751,bmse000284,1
10,covalent,SING,C2,H10,,,,,5751,bmse000284,1
11,covalent,SING,C3,C1,,,,,5751,bmse000284,1
12,covalent,SING,C3,H11,,,,,5751,bmse000284,1
13,covalent,SING,C1,H9,,,,,5751,bmse000284,1
1,covalent,SING,O7,C5,,,,,5773,bmse000285,1
2,covalent,SING,O7,H21,,,,,5773,bmse000285,1
3,covalent,SING,N6,C4,,,,,5773,bmse000285,1
4,covalent,SING,N6,C1,,,,,5773,bmse000285,1
5,covalent,SING,N6,C2,,,,,5773,bmse000285,1
6,covalent,SING,N6,C3,,,,,5773,bmse000285,1
7,covalent,SING,C5,C4,,,,,5773,bmse000285,1
8,covalent,SING,C5,H19,,,,,5773,bmse000285,1
9,covalent,SING,C5,H20,,,,,5773,bmse000285,1
10,covalent,SING,C4,H17,,,,,5773,bmse000285,1
11,covalent,SING,C4,H18,,,,,5773,bmse000285,1
12,covalent,SING,C1,H8,,,,,5773,bmse000285,1
13,covalent,SING,C1,H9,,,,,5773,bmse000285,1
14,covalent,SING,C1,H10,,,,,5773,bmse000285,1
15,covalent,SING,C2,H12,,,,,5773,bmse000285,1
16,covalent,SING,C2,H11,,,,,5773,bmse000285,1
17,covalent,SING,C2,H13,,,,,5773,bmse000285,1
18,covalent,SING,C3,H14,,,,,5773,bmse000285,1
19,covalent,SING,C3,H15,,,,,5773,bmse000285,1
20,covalent,SING,C3,H16,,,,,5773,bmse000285,1
1,covalent,DOUB,O9,C7,,,,,5797,bmse000286,1
2,covalent,SING,C1,C7,,,,,5797,bmse000286,1
3,covalent,SING,C1,H11,,,,,5797,bmse000286,1
4,covalent,SING,C1,H12,,,,,5797,bmse000286,1
5,covalent,SING,C1,H10,,,,,5797,bmse000286,1
6,covalent,SING,C7,C8,,,,,5797,bmse000286,1
7,covalent,DOUB,C8,C5,,,,,5797,bmse000286,1
8,covalent,SING,C8,C6,,,,,5797,bmse000286,1
9,covalent,SING,C5,C3,,,,,5797,bmse000286,1
10,covalent,SING,C5,H16,,,,,5797,bmse000286,1
11,covalent,DOUB,C6,C4,,,,,5797,bmse000286,1
12,covalent,SING,C6,H17,,,,,5797,bmse000286,1
13,covalent,DOUB,C3,C2,,,,,5797,bmse000286,1
14,covalent,SING,C3,H14,,,,,5797,bmse000286,1
15,covalent,SING,C4,C2,,,,,5797,bmse000286,1
16,covalent,SING,C4,H15,,,,,5797,bmse000286,1
17,covalent,SING,C2,H13,,,,,5797,bmse000286,1
1,covalent,SING,C7,O14,,,,,5819,bmse000287,1
2,covalent,SING,O14,H32,,,,,5819,bmse000287,1
3,covalent,SING,O11,C5,,,,,5819,bmse000287,1
4,covalent,SING,O11,H30,,,,,5819,bmse000287,1
5,covalent,SING,O12,C6,,,,,5819,bmse000287,1
6,covalent,SING,O12,H31,,,,,5819,bmse000287,1
7,covalent,DOUB,O13,C6,,,,,5819,bmse000287,1
8,covalent,DOUB,O15,C8,,,,,5819,bmse000287,1
9,covalent,SING,N10,C4,,,,,5819,bmse000287,1
10,covalent,SING,N10,C8,,,,,5819,bmse000287,1
11,covalent,SING,N10,H29,,,,,5819,bmse000287,1
12,covalent,SING,C9,C7,,,,,5819,bmse000287,1
13,covalent,SING,C9,C5,,,,,5819,bmse000287,1
14,covalent,SING,C9,C1,,,,,5819,bmse000287,1
15,covalent,SING,C9,C2,,,,,5819,bmse000287,1
16,covalent,SING,C7,C8,,,,,5819,bmse000287,1
17,covalent,SING,C7,H28,,,,,5819,bmse000287,1
18,covalent,SING,C5,H26,,,,,5819,bmse000287,1
19,covalent,SING,C5,H27,,,,,5819,bmse000287,1
20,covalent,SING,C4,C3,,,,,5819,bmse000287,1
21,covalent,SING,C4,H24,,,,,5819,bmse000287,1
22,covalent,SING,C4,H25,,,,,5819,bmse000287,1
23,covalent,SING,C3,C6,,,,,5819,bmse000287,1
24,covalent,SING,C3,H22,,,,,5819,bmse000287,1
25,covalent,SING,C3,H23,,,,,5819,bmse000287,1
26,covalent,SING,C1,H18,,,,,5819,bmse000287,1
27,covalent,SING,C1,H17,,,,,5819,bmse000287,1
28,covalent,SING,C1,H16,,,,,5819,bmse000287,1
29,covalent,SING,C2,H21,,,,,5819,bmse000287,1
30,covalent,SING,C2,H20,,,,,5819,bmse000287,1
31,covalent,SING,C2,H19,,,,,5819,bmse000287,1
1,covalent,SING,O11,C4,,,,,5840,bmse000288,1
2,covalent,SING,O11,H22,,,,,5840,bmse000288,1
3,covalent,SING,O10,C3,,,,,5840,bmse000288,1
4,covalent,SING,O10,H21,,,,,5840,bmse000288,1
5,covalent,SING,O12,C8,,,,,5840,bmse000288,1
6,covalent,SING,O12,H23,,,,,5840,bmse000288,1
7,covalent,DOUB,N9,C5,,,,,5840,bmse000288,1
8,covalent,SING,N9,C2,,,,,5840,bmse000288,1
9,covalent,SING,C4,C7,,,,,5840,bmse000288,1
10,covalent,SING,C4,H19,,,,,5840,bmse000288,1
11,covalent,SING,C4,H20,,,,,5840,bmse000288,1
12,covalent,SING,C3,C6,,,,,5840,bmse000288,1
13,covalent,SING,C3,H17,,,,,5840,bmse000288,1
14,covalent,SING,C3,H18,,,,,5840,bmse000288,1
15,covalent,SING,C1,C5,,,,,5840,bmse000288,1
16,covalent,SING,C1,H15,,,,,5840,bmse000288,1
17,covalent,SING,C1,H14,,,,,5840,bmse000288,1
18,covalent,SING,C1,H13,,,,,5840,bmse000288,1
19,covalent,SING,C5,C8,,,,,5840,bmse000288,1
20,covalent,DOUB,C8,C7,,,,,5840,bmse000288,1
21,covalent,SING,C7,C6,,,,,5840,bmse000288,1
22,covalent,DOUB,C6,C2,,,,,5840,bmse000288,1
23,covalent,SING,C2,H16,,,,,5840,bmse000288,1
1,covalent,SING,S26,C2,,,,,5861,bmse000289,1
2,covalent,SING,S26,C3,,,,,5861,bmse000289,1
3,covalent,SING,C10,O22,,,,,5861,bmse000289,1
4,covalent,SING,O22,H45,,,,,5861,bmse000289,1
5,covalent,SING,C9,O21,,,,,5861,bmse000289,1
6,covalent,SING,O21,H44,,,,,5861,bmse000289,1
7,covalent,SING,O23,C14,,,,,5861,bmse000289,1
8,covalent,SING,O23,H46,,,,,5861,bmse000289,1
9,covalent,SING,O25,C13,,,,,5861,bmse000289,1
10,covalent,SING,O25,C7,,,,,5861,bmse000289,1
11,covalent,DOUB,O24,C14,,,,,5861,bmse000289,1
12,covalent,SING,C6,N15,,,,,5861,bmse000289,1
13,covalent,SING,N15,H40,,,,,5861,bmse000289,1
14,covalent,SING,N15,H41,,,,,5861,bmse000289,1
15,covalent,SING,N16,C11,,,,,5861,bmse000289,1
16,covalent,SING,N16,H42,,,,,5861,bmse000289,1
17,covalent,SING,N16,H43,,,,,5861,bmse000289,1
18,covalent,SING,C13,N20,,,,,5861,bmse000289,1
19,covalent,SING,N20,C12,,,,,5861,bmse000289,1
20,covalent,SING,N20,C5,,,,,5861,bmse000289,1
21,covalent,SING,N19,C8,,,,,5861,bmse000289,1
22,covalent,DOUB,N19,C5,,,,,5861,bmse000289,1
23,covalent,SING,N17,C11,,,,,5861,bmse000289,1
24,covalent,DOUB,N17,C4,,,,,5861,bmse000289,1
25,covalent,DOUB,N18,C12,,,,,5861,bmse000289,1
26,covalent,SING,N18,C4,,,,,5861,bmse000289,1
27,covalent,SING,C6,C1,,,,,5861,bmse000289,1
28,covalent,SING,C6,C14,,,,,5861,bmse000289,1
29,covalent,SING,C6,H35,,,,,5861,bmse000289,1
30,covalent,SING,C2,C1,,,,,5861,bmse000289,1
31,covalent,SING,C2,H29,,,,,5861,bmse000289,1
32,covalent,SING,C2,H30,,,,,5861,bmse000289,1
33,covalent,SING,C1,H27,,,,,5861,bmse000289,1
34,covalent,SING,C1,H28,,,,,5861,bmse000289,1
35,covalent,SING,C7,C3,,,,,5861,bmse000289,1
36,covalent,SING,C3,H31,,,,,5861,bmse000289,1
37,covalent,SING,C3,H32,,,,,5861,bmse000289,1
38,covalent,SING,C13,C10,,,,,5861,bmse000289,1
39,covalent,SING,C13,H39,,,,,5861,bmse000289,1
40,covalent,SING,C7,C9,,,,,5861,bmse000289,1
41,covalent,SING,C7,H36,,,,,5861,bmse000289,1
42,covalent,SING,C10,C9,,,,,5861,bmse000289,1
43,covalent,SING,C10,H38,,,,,5861,bmse000289,1
44,covalent,SING,C9,H37,,,,,5861,bmse000289,1
45,covalent,DOUB,C11,C8,,,,,5861,bmse000289,1
46,covalent,SING,C12,C8,,,,,5861,bmse000289,1
47,covalent,SING,C5,H34,,,,,5861,bmse000289,1
48,covalent,SING,C4,H33,,,,,5861,bmse000289,1
1,covalent,SING,O7,C6,,,,,5883,bmse000290,1
2,covalent,SING,O7,H13,,,,,5883,bmse000290,1
3,covalent,DOUB,C6,C4,,,,,5883,bmse000290,1
4,covalent,SING,C6,C5,,,,,5883,bmse000290,1
5,covalent,SING,C4,C2,,,,,5883,bmse000290,1
6,covalent,SING,C4,H11,,,,,5883,bmse000290,1
7,covalent,DOUB,C5,C3,,,,,5883,bmse000290,1
8,covalent,SING,C5,H12,,,,,5883,bmse000290,1
9,covalent,DOUB,C2,C1,,,,,5883,bmse000290,1
10,covalent,SING,C2,H9,,,,,5883,bmse000290,1
11,covalent,SING,C3,C1,,,,,5883,bmse000290,1
12,covalent,SING,C3,H10,,,,,5883,bmse000290,1
13,covalent,SING,C1,H8,,,,,5883,bmse000290,1
1,covalent,SING,Se9,C3,,,,,5906,bmse000291,1
2,covalent,SING,Se9,C1,,,,,5906,bmse000291,1
3,covalent,SING,O7,C5,,,,,5906,bmse000291,1
4,covalent,SING,O7,H20,,,,,5906,bmse000291,1
5,covalent,DOUB,O8,C5,,,,,5906,bmse000291,1
6,covalent,SING,N6,C4,,,,,5906,bmse000291,1
7,covalent,SING,N6,H18,,,,,5906,bmse000291,1
8,covalent,SING,N6,H19,,,,,5906,bmse000291,1
9,covalent,SING,C4,C2,,,,,5906,bmse000291,1
10,covalent,SING,C4,C5,,,,,5906,bmse000291,1
11,covalent,SING,C4,H17,,,,,5906,bmse000291,1
12,covalent,SING,C3,C2,,,,,5906,bmse000291,1
13,covalent,SING,C3,H15,,,,,5906,bmse000291,1
14,covalent,SING,C3,H16,,,,,5906,bmse000291,1
15,covalent,SING,C2,H13,,,,,5906,bmse000291,1
16,covalent,SING,C2,H14,,,,,5906,bmse000291,1
17,covalent,SING,C1,H12,,,,,5906,bmse000291,1
18,covalent,SING,C1,H11,,,,,5906,bmse000291,1
19,covalent,SING,C1,H10,,,,,5906,bmse000291,1
1,covalent,SING,P36,O35,,,,,5927,bmse000292,1
2,covalent,SING,P36,O31,,,,,5927,bmse000292,1
3,covalent,SING,P36,O27,,,,,5927,bmse000292,1
4,covalent,DOUB,P36,O28,,,,,5927,bmse000292,1
5,covalent,SING,P37,O35,,,,,5927,bmse000292,1
6,covalent,SING,P37,O34,,,,,5927,bmse000292,1
7,covalent,SING,P37,O29,,,,,5927,bmse000292,1
8,covalent,DOUB,P37,O30,,,,,5927,bmse000292,1
9,covalent,SING,O31,C3,,,,,5927,bmse000292,1
10,covalent,SING,C14,O34,,,,,5927,bmse000292,1
11,covalent,SING,O27,H58,,,,,5927,bmse000292,1
12,covalent,SING,O29,H59,,,,,5927,bmse000292,1
13,covalent,SING,C10,O23,,,,,5927,bmse000292,1
14,covalent,SING,O23,H56,,,,,5927,bmse000292,1
15,covalent,SING,C9,O22,,,,,5927,bmse000292,1
16,covalent,SING,O22,H55,,,,,5927,bmse000292,1
17,covalent,SING,C6,O19,,,,,5927,bmse000292,1
18,covalent,SING,O19,H52,,,,,5927,bmse000292,1
19,covalent,SING,C7,O20,,,,,5927,bmse000292,1
20,covalent,SING,O20,H53,,,,,5927,bmse000292,1
21,covalent,SING,C8,O21,,,,,5927,bmse000292,1
22,covalent,SING,O21,H54,,,,,5927,bmse000292,1
23,covalent,SING,O24,C13,,,,,5927,bmse000292,1
24,covalent,SING,O24,H57,,,,,5927,bmse000292,1
25,covalent,SING,O32,C12,,,,,5927,bmse000292,1
26,covalent,SING,O32,C4,,,,,5927,bmse000292,1
27,covalent,SING,O33,C14,,,,,5927,bmse000292,1
28,covalent,SING,O33,C11,,,,,5927,bmse000292,1
29,covalent,DOUB,O25,C13,,,,,5927,bmse000292,1
30,covalent,DOUB,O26,C15,,,,,5927,bmse000292,1
31,covalent,DOUB,O18,C5,,,,,5927,bmse000292,1
32,covalent,SING,C12,N17,,,,,5927,bmse000292,1
33,covalent,SING,N17,C15,,,,,5927,bmse000292,1
34,covalent,SING,N17,C2,,,,,5927,bmse000292,1
35,covalent,SING,N16,C15,,,,,5927,bmse000292,1
36,covalent,SING,N16,C5,,,,,5927,bmse000292,1
37,covalent,SING,N16,H51,,,,,5927,bmse000292,1
38,covalent,SING,C4,C3,,,,,5927,bmse000292,1
39,covalent,SING,C3,H40,,,,,5927,bmse000292,1
40,covalent,SING,C3,H41,,,,,5927,bmse000292,1
41,covalent,SING,C14,C10,,,,,5927,bmse000292,1
42,covalent,SING,C14,H50,,,,,5927,bmse000292,1
43,covalent,SING,C12,C9,,,,,5927,bmse000292,1
44,covalent,SING,C12,H49,,,,,5927,bmse000292,1
45,covalent,SING,C4,C6,,,,,5927,bmse000292,1
46,covalent,SING,C4,H42,,,,,5927,bmse000292,1
47,covalent,SING,C10,C7,,,,,5927,bmse000292,1
48,covalent,SING,C10,H47,,,,,5927,bmse000292,1
49,covalent,SING,C9,C6,,,,,5927,bmse000292,1
50,covalent,SING,C9,H46,,,,,5927,bmse000292,1
51,covalent,SING,C6,H43,,,,,5927,bmse000292,1
52,covalent,SING,C7,C8,,,,,5927,bmse000292,1
53,covalent,SING,C7,H44,,,,,5927,bmse000292,1
54,covalent,SING,C8,C11,,,,,5927,bmse000292,1
55,covalent,SING,C8,H45,,,,,5927,bmse000292,1
56,covalent,SING,C11,C13,,,,,5927,bmse000292,1
57,covalent,SING,C11,H48,,,,,5927,bmse000292,1
58,covalent,SING,C5,C1,,,,,5927,bmse000292,1
59,covalent,DOUB,C2,C1,,,,,5927,bmse000292,1
60,covalent,SING,C2,H39,,,,,5927,bmse000292,1
61,covalent,SING,C1,H38,,,,,5927,bmse000292,1
1,covalent,SING,O7,C5,,,,,5948,bmse000293,1
2,covalent,SING,O7,H13,,,,,5948,bmse000293,1
3,covalent,SING,O8,C6,,,,,5948,bmse000293,1
4,covalent,SING,O8,H14,,,,,5948,bmse000293,1
5,covalent,SING,C5,C1,,,,,5948,bmse000293,1
6,covalent,DOUB,C5,C3,,,,,5948,bmse000293,1
7,covalent,SING,C6,C2,,,,,5948,bmse000293,1
8,covalent,DOUB,C6,C4,,,,,5948,bmse000293,1
9,covalent,DOUB,C1,C2,,,,,5948,bmse000293,1
10,covalent,SING,C1,H9,,,,,5948,bmse000293,1
11,covalent,SING,C2,H10,,,,,5948,bmse000293,1
12,covalent,SING,C3,C4,,,,,5948,bmse000293,1
13,covalent,SING,C3,H11,,,,,5948,bmse000293,1
14,covalent,SING,C4,H12,,,,,5948,bmse000293,1
1,covalent,SING,O2,C1,,,,,5971,bmse000294,1
2,covalent,SING,O2,H6,,,,,5971,bmse000294,1
3,covalent,SING,C1,H5,,,,,5971,bmse000294,1
4,covalent,SING,C1,H3,,,,,5971,bmse000294,1
5,covalent,SING,C1,H4,,,,,5971,bmse000294,1
1,covalent,SING,P29,O26,,,,,5993,bmse000295,1
2,covalent,SING,P29,O25,,,,,5993,bmse000295,1
3,covalent,SING,P29,O21,,,,,5993,bmse000295,1
4,covalent,DOUB,P29,O22,,,,,5993,bmse000295,1
5,covalent,SING,P28,O26,,,,,5993,bmse000295,1
6,covalent,SING,P28,O23,,,,,5993,bmse000295,1
7,covalent,SING,P28,O19,,,,,5993,bmse000295,1
8,covalent,DOUB,P28,O20,,,,,5993,bmse000295,1
9,covalent,SING,P27,O25,,,,,5993,bmse000295,1
10,covalent,SING,P27,O16,,,,,5993,bmse000295,1
11,covalent,SING,P27,O17,,,,,5993,bmse000295,1
12,covalent,DOUB,P27,O18,,,,,5993,bmse000295,1
13,covalent,SING,O23,C3,,,,,5993,bmse000295,1
14,covalent,SING,O21,H44,,,,,5993,bmse000295,1
15,covalent,SING,O19,H43,,,,,5993,bmse000295,1
16,covalent,SING,O16,H41,,,,,5993,bmse000295,1
17,covalent,SING,O17,H42,,,,,5993,bmse000295,1
18,covalent,SING,C7,O14,,,,,5993,bmse000295,1
19,covalent,SING,O14,H40,,,,,5993,bmse000295,1
20,covalent,SING,C6,O13,,,,,5993,bmse000295,1
21,covalent,SING,O13,H39,,,,,5993,bmse000295,1
22,covalent,SING,O24,C8,,,,,5993,bmse000295,1
23,covalent,SING,O24,C4,,,,,5993,bmse000295,1
24,covalent,DOUB,O15,C9,,,,,5993,bmse000295,1
25,covalent,DOUB,O12,C5,,,,,5993,bmse000295,1
26,covalent,SING,C8,N11,,,,,5993,bmse000295,1
27,covalent,SING,N11,C9,,,,,5993,bmse000295,1
28,covalent,SING,N11,C2,,,,,5993,bmse000295,1
29,covalent,SING,N10,C9,,,,,5993,bmse000295,1
30,covalent,SING,N10,C5,,,,,5993,bmse000295,1
31,covalent,SING,N10,H38,,,,,5993,bmse000295,1
32,covalent,SING,C4,C3,,,,,5993,bmse000295,1
33,covalent,SING,C3,H32,,,,,5993,bmse000295,1
34,covalent,SING,C3,H33,,,,,5993,bmse000295,1
35,covalent,SING,C8,C7,,,,,5993,bmse000295,1
36,covalent,SING,C8,H37,,,,,5993,bmse000295,1
37,covalent,SING,C4,C6,,,,,5993,bmse000295,1
38,covalent,SING,C4,H34,,,,,5993,bmse000295,1
39,covalent,SING,C7,C6,,,,,5993,bmse000295,1
40,covalent,SING,C7,H36,,,,,5993,bmse000295,1
41,covalent,SING,C6,H35,,,,,5993,bmse000295,1
42,covalent,SING,C5,C1,,,,,5993,bmse000295,1
43,covalent,DOUB,C2,C1,,,,,5993,bmse000295,1
44,covalent,SING,C2,H31,,,,,5993,bmse000295,1
45,covalent,SING,C1,H30,,,,,5993,bmse000295,1
1,covalent,SING,P21,O19,,,,,6014,bmse000296,1
2,covalent,SING,P21,O16,,,,,6014,bmse000296,1
3,covalent,SING,P21,O17,,,,,6014,bmse000296,1
4,covalent,DOUB,P21,O18,,,,,6014,bmse000296,1
5,covalent,SING,O19,C4,,,,,6014,bmse000296,1
6,covalent,SING,O16,H35,,,,,6014,bmse000296,1
7,covalent,SING,O17,H36,,,,,6014,bmse000296,1
8,covalent,SING,C6,O13,,,,,6014,bmse000296,1
9,covalent,SING,O13,H34,,,,,6014,bmse000296,1
10,covalent,SING,O20,C8,,,,,6014,bmse000296,1
11,covalent,SING,O20,C7,,,,,6014,bmse000296,1
12,covalent,DOUB,O15,C10,,,,,6014,bmse000296,1
13,covalent,DOUB,O14,C9,,,,,6014,bmse000296,1
14,covalent,SING,C8,N12,,,,,6014,bmse000296,1
15,covalent,SING,N12,C10,,,,,6014,bmse000296,1
16,covalent,SING,N12,C3,,,,,6014,bmse000296,1
17,covalent,SING,N11,C10,,,,,6014,bmse000296,1
18,covalent,SING,N11,C9,,,,,6014,bmse000296,1
19,covalent,SING,N11,H33,,,,,6014,bmse000296,1
20,covalent,SING,C7,C4,,,,,6014,bmse000296,1
21,covalent,SING,C4,H28,,,,,6014,bmse000296,1
22,covalent,SING,C4,H29,,,,,6014,bmse000296,1
23,covalent,SING,C1,C5,,,,,6014,bmse000296,1
24,covalent,SING,C1,H22,,,,,6014,bmse000296,1
25,covalent,SING,C1,H23,,,,,6014,bmse000296,1
26,covalent,SING,C1,H24,,,,,6014,bmse000296,1
27,covalent,SING,C8,C2,,,,,6014,bmse000296,1
28,covalent,SING,C8,H32,,,,,6014,bmse000296,1
29,covalent,SING,C7,C6,,,,,6014,bmse000296,1
30,covalent,SING,C7,H31,,,,,6014,bmse000296,1
31,covalent,SING,C6,C2,,,,,6014,bmse000296,1
32,covalent,SING,C6,H30,,,,,6014,bmse000296,1
33,covalent,SING,C2,H25,,,,,6014,bmse000296,1
34,covalent,SING,C2,H26,,,,,6014,bmse000296,1
35,covalent,SING,C9,C5,,,,,6014,bmse000296,1
36,covalent,DOUB,C5,C3,,,,,6014,bmse000296,1
37,covalent,SING,C3,H27,,,,,6014,bmse000296,1
1,covalent,SING,O3,C2,,,,,6034,bmse000297,1
2,covalent,SING,O3,H9,,,,,6034,bmse000297,1
3,covalent,SING,C2,C1,,,,,6034,bmse000297,1
4,covalent,SING,C2,H7,,,,,6034,bmse000297,1
5,covalent,SING,C2,H8,,,,,6034,bmse000297,1
6,covalent,SING,C1,H6,,,,,6034,bmse000297,1
7,covalent,SING,C1,H4,,,,,6034,bmse000297,1
8,covalent,SING,C1,H5,,,,,6034,bmse000297,1
1,covalent,SING,C3,O6,,,,,6056,bmse000298,1
2,covalent,SING,O6,H12,,,,,6056,bmse000298,1
3,covalent,SING,O5,C2,,,,,6056,bmse000298,1
4,covalent,SING,O5,H11,,,,,6056,bmse000298,1
5,covalent,DOUB,O4,C1,,,,,6056,bmse000298,1
6,covalent,SING,C3,C2,,,,,6056,bmse000298,1
7,covalent,SING,C3,C1,,,,,6056,bmse000298,1
8,covalent,SING,C3,H10,,,,,6056,bmse000298,1
9,covalent,SING,C2,H8,,,,,6056,bmse000298,1
10,covalent,SING,C2,H9,,,,,6056,bmse000298,1
11,covalent,SING,C1,H7,,,,,6056,bmse000298,1
1,covalent,SING,O31,C18,,,,,6078,bmse000299,1
2,covalent,SING,O31,H51,,,,,6078,bmse000299,1
3,covalent,SING,O27,C13,,,,,6078,bmse000299,1
4,covalent,SING,O27,H50,,,,,6078,bmse000299,1
5,covalent,DOUB,O32,C18,,,,,6078,bmse000299,1
6,covalent,DOUB,O28,C13,,,,,6078,bmse000299,1
7,covalent,DOUB,O29,C16,,,,,6078,bmse000299,1
8,covalent,DOUB,O30,C17,,,,,6078,bmse000299,1
9,covalent,SING,N24,C12,,,,,6078,bmse000299,1
10,covalent,SING,N24,C16,,,,,6078,bmse000299,1
11,covalent,SING,N24,H48,,,,,6078,bmse000299,1
12,covalent,SING,N21,C7,,,,,6078,bmse000299,1
13,covalent,SING,N21,C10,,,,,6078,bmse000299,1
14,covalent,SING,N21,H47,,,,,6078,bmse000299,1
15,covalent,SING,N20,C19,,,,,6078,bmse000299,1
16,covalent,SING,N20,H45,,,,,6078,bmse000299,1
17,covalent,SING,N20,H46,,,,,6078,bmse000299,1
18,covalent,SING,N25,C19,,,,,6078,bmse000299,1
19,covalent,SING,N25,C15,,,,,6078,bmse000299,1
20,covalent,SING,N25,H49,,,,,6078,bmse000299,1
21,covalent,DOUB,N26,C19,,,,,6078,bmse000299,1
22,covalent,SING,N26,C17,,,,,6078,bmse000299,1
23,covalent,SING,N23,C11,,,,,6078,bmse000299,1
24,covalent,DOUB,N23,C14,,,,,6078,bmse000299,1
25,covalent,DOUB,N22,C15,,,,,6078,bmse000299,1
26,covalent,SING,N22,C8,,,,,6078,bmse000299,1
27,covalent,SING,C12,C5,,,,,6078,bmse000299,1
28,covalent,SING,C12,C18,,,,,6078,bmse000299,1
29,covalent,SING,C12,H44,,,,,6078,bmse000299,1
30,covalent,SING,C5,C6,,,,,6078,bmse000299,1
31,covalent,SING,C5,H37,,,,,6078,bmse000299,1
32,covalent,SING,C5,H38,,,,,6078,bmse000299,1
33,covalent,SING,C6,C13,,,,,6078,bmse000299,1
34,covalent,SING,C6,H39,,,,,6078,bmse000299,1
35,covalent,SING,C6,H40,,,,,6078,bmse000299,1
36,covalent,SING,C7,C11,,,,,6078,bmse000299,1
37,covalent,SING,C7,H41,,,,,6078,bmse000299,1
38,covalent,SING,C7,H42,,,,,6078,bmse000299,1
39,covalent,SING,C16,C9,,,,,6078,bmse000299,1
40,covalent,SING,C17,C14,,,,,6078,bmse000299,1
41,covalent,SING,C15,C14,,,,,6078,bmse000299,1
42,covalent,DOUB,C11,C8,,,,,6078,bmse000299,1
43,covalent,DOUB,C10,C3,,,,,6078,bmse000299,1
44,covalent,SING,C10,C4,,,,,6078,bmse000299,1
45,covalent,DOUB,C9,C1,,,,,6078,bmse000299,1
46,covalent,SING,C9,C2,,,,,6078,bmse000299,1
47,covalent,SING,C8,H43,,,,,6078,bmse000299,1
48,covalent,SING,C3,C1,,,,,6078,bmse000299,1
49,covalent,SING,C3,H35,,,,,6078,bmse000299,1
50,covalent,DOUB,C4,C2,,,,,6078,bmse000299,1
51,covalent,SING,C4,H36,,,,,6078,bmse000299,1
52,covalent,SING,C1,H33,,,,,6078,bmse000299,1
53,covalent,SING,C2,H34,,,,,6078,bmse000299,1
1,covalent,SING,O8,C7,,,,,6103,bmse000300,1
2,covalent,SING,O8,H15,,,,,6103,bmse000300,1
3,covalent,DOUB,O9,C7,,,,,6103,bmse000300,1
4,covalent,SING,C7,C6,,,,,6103,bmse000300,1
5,covalent,DOUB,C6,C4,,,,,6103,bmse000300,1
6,covalent,SING,C6,C5,,,,,6103,bmse000300,1
7,covalent,SING,C4,C2,,,,,6103,bmse000300,1
8,covalent,SING,C4,H13,,,,,6103,bmse000300,1
9,covalent,DOUB,C5,C3,,,,,6103,bmse000300,1
10,covalent,SING,C5,H14,,,,,6103,bmse000300,1
11,covalent,DOUB,C2,C1,,,,,6103,bmse000300,1
12,covalent,SING,C2,H11,,,,,6103,bmse000300,1
13,covalent,SING,C3,C1,,,,,6103,bmse000300,1
14,covalent,SING,C3,H12,,,,,6103,bmse000300,1
15,covalent,SING,C1,H10,,,,,6103,bmse000300,1
1,covalent,SING,O5,C3,,,,,6125,bmse000302,1
2,covalent,SING,O5,H13,,,,,6125,bmse000302,1
3,covalent,SING,O4,C2,,,,,6125,bmse000302,1
4,covalent,SING,O4,H12,,,,,6125,bmse000302,1
5,covalent,SING,C3,C2,,,,,6125,bmse000302,1
6,covalent,SING,C3,C1,,,,,6125,bmse000302,1
7,covalent,SING,C3,H11,,,,,6125,bmse000302,1
8,covalent,SING,C2,H9,,,,,6125,bmse000302,1
9,covalent,SING,C2,H10,,,,,6125,bmse000302,1
10,covalent,SING,C1,H8,,,,,6125,bmse000302,1
11,covalent,SING,C1,H7,,,,,6125,bmse000302,1
12,covalent,SING,C1,H6,,,,,6125,bmse000302,1
1,covalent,SING,O4,C2,,,,,6147,bmse000303,1
2,covalent,SING,O4,H12,,,,,6147,bmse000303,1
3,covalent,SING,O5,C3,,,,,6147,bmse000303,1
4,covalent,SING,O5,H13,,,,,6147,bmse000303,1
5,covalent,SING,C1,C2,,,,,6147,bmse000303,1
6,covalent,SING,C1,C3,,,,,6147,bmse000303,1
7,covalent,SING,C1,H6,,,,,6147,bmse000303,1
8,covalent,SING,C1,H7,,,,,6147,bmse000303,1
9,covalent,SING,C2,H8,,,,,6147,bmse000303,1
10,covalent,SING,C2,H9,,,,,6147,bmse000303,1
11,covalent,SING,C3,H10,,,,,6147,bmse000303,1
12,covalent,SING,C3,H11,,,,,6147,bmse000303,1
1,covalent,DOUB,O7,C5,,,,,6166,bmse000304,1
2,covalent,DOUB,O8,C6,,,,,6166,bmse000304,1
3,covalent,SING,C5,C1,,,,,6166,bmse000304,1
4,covalent,SING,C5,C3,,,,,6166,bmse000304,1
5,covalent,SING,C6,C2,,,,,6166,bmse000304,1
6,covalent,SING,C6,C4,,,,,6166,bmse000304,1
7,covalent,DOUB,C1,C2,,,,,6166,bmse000304,1
8,covalent,SING,C1,H9,,,,,6166,bmse000304,1
9,covalent,DOUB,C3,C4,,,,,6166,bmse000304,1
10,covalent,SING,C3,H11,,,,,6166,bmse000304,1
11,covalent,SING,C2,H10,,,,,6166,bmse000304,1
12,covalent,SING,C4,H12,,,,,6166,bmse000304,1
1,covalent,SING,O5,C3,,,,,6188,bmse000305,1
2,covalent,SING,O5,H14,,,,,6188,bmse000305,1
3,covalent,SING,N4,C2,,,,,6188,bmse000305,1
4,covalent,SING,N4,H12,,,,,6188,bmse000305,1
5,covalent,SING,N4,H13,,,,,6188,bmse000305,1
6,covalent,SING,C3,C2,,,,,6188,bmse000305,1
7,covalent,SING,C3,C1,,,,,6188,bmse000305,1
8,covalent,SING,C3,H11,,,,,6188,bmse000305,1
9,covalent,SING,C2,H9,,,,,6188,bmse000305,1
10,covalent,SING,C2,H10,,,,,6188,bmse000305,1
11,covalent,SING,C1,H8,,,,,6188,bmse000305,1
12,covalent,SING,C1,H7,,,,,6188,bmse000305,1
13,covalent,SING,C1,H6,,,,,6188,bmse000305,1
1,covalent,SING,O13,C7,,,,,6210,bmse000306,1
2,covalent,SING,O13,H25,,,,,6210,bmse000306,1
3,covalent,SING,C4,O9,,,,,6210,bmse000306,1
4,covalent,SING,O9,H22,,,,,6210,bmse000306,1
5,covalent,SING,C3,O8,,,,,6210,bmse000306,1
6,covalent,SING,O8,H21,,,,,6210,bmse000306,1
7,covalent,SING,O10,C5,,,,,6210,bmse000306,1
8,covalent,SING,O10,H23,,,,,6210,bmse000306,1
9,covalent,SING,O11,C6,,,,,6210,bmse000306,1
10,covalent,SING,O11,H24,,,,,6210,bmse000306,1
11,covalent,DOUB,O12,C6,,,,,6210,bmse000306,1
12,covalent,SING,C7,C2,,,,,6210,bmse000306,1
13,covalent,SING,C7,C1,,,,,6210,bmse000306,1
14,covalent,SING,C7,C6,,,,,6210,bmse000306,1
15,covalent,SING,C2,C4,,,,,6210,bmse000306,1
16,covalent,SING,C2,H16,,,,,6210,bmse000306,1
17,covalent,SING,C2,H17,,,,,6210,bmse000306,1
18,covalent,SING,C1,C3,,,,,6210,bmse000306,1
19,covalent,SING,C1,H15,,,,,6210,bmse000306,1
20,covalent,SING,C1,H14,,,,,6210,bmse000306,1
21,covalent,SING,C4,C5,,,,,6210,bmse000306,1
22,covalent,SING,C4,H19,,,,,6210,bmse000306,1
23,covalent,SING,C3,C5,,,,,6210,bmse000306,1
24,covalent,SING,C3,H18,,,,,6210,bmse000306,1
25,covalent,SING,C5,H20,,,,,6210,bmse000306,1
1,covalent,SING,O10,C8,,,,,6232,bmse000307,1
2,covalent,SING,O10,H21,,,,,6232,bmse000307,1
3,covalent,SING,N9,C6,,,,,6232,bmse000307,1
4,covalent,SING,N9,H19,,,,,6232,bmse000307,1
5,covalent,SING,N9,H20,,,,,6232,bmse000307,1
6,covalent,SING,C8,C7,,,,,6232,bmse000307,1
7,covalent,SING,C8,C6,,,,,6232,bmse000307,1
8,covalent,SING,C8,H18,,,,,6232,bmse000307,1
9,covalent,DOUB,C7,C4,,,,,6232,bmse000307,1
10,covalent,SING,C7,C5,,,,,6232,bmse000307,1
11,covalent,SING,C6,H16,,,,,6232,bmse000307,1
12,covalent,SING,C6,H17,,,,,6232,bmse000307,1
13,covalent,SING,C4,C2,,,,,6232,bmse000307,1
14,covalent,SING,C4,H14,,,,,6232,bmse000307,1
15,covalent,DOUB,C5,C3,,,,,6232,bmse000307,1
16,covalent,SING,C5,H15,,,,,6232,bmse000307,1
17,covalent,DOUB,C2,C1,,,,,6232,bmse000307,1
18,covalent,SING,C2,H12,,,,,6232,bmse000307,1
19,covalent,SING,C3,C1,,,,,6232,bmse000307,1
20,covalent,SING,C3,H13,,,,,6232,bmse000307,1
21,covalent,SING,C1,H11,,,,,6232,bmse000307,1
1,covalent,SING,P8,O7,,,,,6255,bmse000308,1
2,covalent,SING,P8,O4,,,,,6255,bmse000308,1
3,covalent,SING,P8,O5,,,,,6255,bmse000308,1
4,covalent,DOUB,P8,O6,,,,,6255,bmse000308,1
5,covalent,SING,O7,C2,,,,,6255,bmse000308,1
6,covalent,SING,O4,H15,,,,,6255,bmse000308,1
7,covalent,SING,O5,H16,,,,,6255,bmse000308,1
8,covalent,SING,N3,C1,,,,,6255,bmse000308,1
9,covalent,SING,N3,H13,,,,,6255,bmse000308,1
10,covalent,SING,N3,H14,,,,,6255,bmse000308,1
11,covalent,SING,C2,C1,,,,,6255,bmse000308,1
12,covalent,SING,C2,H11,,,,,6255,bmse000308,1
13,covalent,SING,C2,H12,,,,,6255,bmse000308,1
14,covalent,SING,C1,H9,,,,,6255,bmse000308,1
15,covalent,SING,C1,H10,,,,,6255,bmse000308,1
1,covalent,SING,P7,O4,,,,,6276,bmse000309,1
2,covalent,SING,P7,O5,,,,,6276,bmse000309,1
3,covalent,DOUB,P7,O6,,,,,6276,bmse000309,1
4,covalent,SING,P7,C2,,,,,6276,bmse000309,1
5,covalent,SING,O4,H14,,,,,6276,bmse000309,1
6,covalent,SING,O5,H15,,,,,6276,bmse000309,1
7,covalent,SING,N3,C1,,,,,6276,bmse000309,1
8,covalent,SING,N3,H12,,,,,6276,bmse000309,1
9,covalent,SING,N3,H13,,,,,6276,bmse000309,1
10,covalent,SING,C2,C1,,,,,6276,bmse000309,1
11,covalent,SING,C2,H10,,,,,6276,bmse000309,1
12,covalent,SING,C2,H11,,,,,6276,bmse000309,1
13,covalent,SING,C1,H8,,,,,6276,bmse000309,1
14,covalent,SING,C1,H9,,,,,6276,bmse000309,1
1,covalent,SING,O8,C6,,,,,6297,bmse000310,1
2,covalent,SING,O8,H15,,,,,6297,bmse000310,1
3,covalent,SING,N7,C5,,,,,6297,bmse000310,1
4,covalent,SING,N7,H13,,,,,6297,bmse000310,1
5,covalent,SING,N7,H14,,,,,6297,bmse000310,1
6,covalent,SING,C5,C6,,,,,6297,bmse000310,1
7,covalent,DOUB,C5,C3,,,,,6297,bmse000310,1
8,covalent,DOUB,C6,C4,,,,,6297,bmse000310,1
9,covalent,SING,C3,C1,,,,,6297,bmse000310,1
10,covalent,SING,C3,H11,,,,,6297,bmse000310,1
11,covalent,SING,C4,C2,,,,,6297,bmse000310,1
12,covalent,SING,C4,H12,,,,,6297,bmse000310,1
13,covalent,DOUB,C1,C2,,,,,6297,bmse000310,1
14,covalent,SING,C1,H9,,,,,6297,bmse000310,1
15,covalent,SING,C2,H10,,,,,6297,bmse000310,1
1,covalent,SING,P21,O19,,,,,6319,bmse000311,1
2,covalent,SING,P21,O16,,,,,6319,bmse000311,1
3,covalent,SING,P21,O17,,,,,6319,bmse000311,1
4,covalent,DOUB,P21,O18,,,,,6319,bmse000311,1
5,covalent,SING,O20,C4,,,,,6319,bmse000311,1
6,covalent,SING,O20,C8,,,,,6319,bmse000311,1
7,covalent,SING,C6,O13,,,,,6319,bmse000311,1
8,covalent,SING,O13,H32,,,,,6319,bmse000311,1
9,covalent,SING,C7,O14,,,,,6319,bmse000311,1
10,covalent,SING,O14,H33,,,,,6319,bmse000311,1
11,covalent,SING,O19,C3,,,,,6319,bmse000311,1
12,covalent,DOUB,O15,C9,,,,,6319,bmse000311,1
13,covalent,SING,O16,H34,,,,,6319,bmse000311,1
14,covalent,SING,O17,H35,,,,,6319,bmse000311,1
15,covalent,SING,C8,N12,,,,,6319,bmse000311,1
16,covalent,SING,N12,C2,,,,,6319,bmse000311,1
17,covalent,SING,N12,C9,,,,,6319,bmse000311,1
18,covalent,SING,N11,C9,,,,,6319,bmse000311,1
19,covalent,DOUB,N11,C5,,,,,6319,bmse000311,1
20,covalent,SING,N10,C5,,,,,6319,bmse000311,1
21,covalent,SING,N10,H30,,,,,6319,bmse000311,1
22,covalent,SING,N10,H31,,,,,6319,bmse000311,1
23,covalent,SING,C6,C7,,,,,6319,bmse000311,1
24,covalent,SING,C6,C4,,,,,6319,bmse000311,1
25,covalent,SING,C6,H27,,,,,6319,bmse000311,1
26,covalent,SING,C7,C8,,,,,6319,bmse000311,1
27,covalent,SING,C7,H28,,,,,6319,bmse000311,1
28,covalent,SING,C4,C3,,,,,6319,bmse000311,1
29,covalent,SING,C4,H26,,,,,6319,bmse000311,1
30,covalent,SING,C8,H29,,,,,6319,bmse000311,1
31,covalent,SING,C3,H24,,,,,6319,bmse000311,1
32,covalent,SING,C3,H25,,,,,6319,bmse000311,1
33,covalent,DOUB,C2,C1,,,,,6319,bmse000311,1
34,covalent,SING,C2,H23,,,,,6319,bmse000311,1
35,covalent,SING,C1,C5,,,,,6319,bmse000311,1
36,covalent,SING,C1,H22,,,,,6319,bmse000311,1
1,covalent,SING,S14,C6,,,,,6341,bmse000312,1
2,covalent,SING,S14,C8,,,,,6341,bmse000312,1
3,covalent,DOUB,O11,C5,,,,,6341,bmse000312,1
4,covalent,SING,O12,C7,,,,,6341,bmse000312,1
5,covalent,SING,O12,H26,,,,,6341,bmse000312,1
6,covalent,DOUB,O13,C7,,,,,6341,bmse000312,1
7,covalent,SING,N10,C6,,,,,6341,bmse000312,1
8,covalent,SING,N10,C4,,,,,6341,bmse000312,1
9,covalent,SING,N10,C5,,,,,6341,bmse000312,1
10,covalent,SING,C3,N9,,,,,6341,bmse000312,1
11,covalent,SING,N9,H24,,,,,6341,bmse000312,1
12,covalent,SING,N9,H25,,,,,6341,bmse000312,1
13,covalent,SING,C6,C3,,,,,6341,bmse000312,1
14,covalent,SING,C6,H23,,,,,6341,bmse000312,1
15,covalent,SING,C8,C4,,,,,6341,bmse000312,1
16,covalent,SING,C8,C1,,,,,6341,bmse000312,1
17,covalent,SING,C8,C2,,,,,6341,bmse000312,1
18,covalent,SING,C4,C7,,,,,6341,bmse000312,1
19,covalent,SING,C4,H22,,,,,6341,bmse000312,1
20,covalent,SING,C3,C5,,,,,6341,bmse000312,1
21,covalent,SING,C3,H21,,,,,6341,bmse000312,1
22,covalent,SING,C1,H16,,,,,6341,bmse000312,1
23,covalent,SING,C1,H15,,,,,6341,bmse000312,1
24,covalent,SING,C1,H17,,,,,6341,bmse000312,1
25,covalent,SING,C2,H20,,,,,6341,bmse000312,1
26,covalent,SING,C2,H18,,,,,6341,bmse000312,1
27,covalent,SING,C2,H19,,,,,6341,bmse000312,1
1,covalent,SING,O23,C12,,,,,6363,bmse000313,1
2,covalent,SING,O23,C3,,,,,6363,bmse000313,1
3,covalent,SING,O22,C4,,,,,6363,bmse000313,1
4,covalent,SING,O22,C11,,,,,6363,bmse000313,1
5,covalent,SING,C12,O21,,,,,6363,bmse000313,1
6,covalent,SING,O21,C2,,,,,6363,bmse000313,1
7,covalent,SING,C6,O15,,,,,6363,bmse000313,1
8,covalent,SING,O15,H40,,,,,6363,bmse000313,1
9,covalent,SING,C10,O19,,,,,6363,bmse000313,1
10,covalent,SING,O19,H44,,,,,6363,bmse000313,1
11,covalent,SING,C8,O17,,,,,6363,bmse000313,1
12,covalent,SING,O17,H42,,,,,6363,bmse000313,1
13,covalent,SING,C5,O14,,,,,6363,bmse000313,1
14,covalent,SING,O14,H39,,,,,6363,bmse000313,1
15,covalent,SING,C7,O16,,,,,6363,bmse000313,1
16,covalent,SING,O16,H41,,,,,6363,bmse000313,1
17,covalent,SING,C9,O18,,,,,6363,bmse000313,1
18,covalent,SING,O18,H43,,,,,6363,bmse000313,1
19,covalent,SING,O20,C11,,,,,6363,bmse000313,1
20,covalent,SING,O20,H45,,,,,6363,bmse000313,1
21,covalent,SING,O13,C1,,,,,6363,bmse000313,1
22,covalent,SING,O13,H38,,,,,6363,bmse000313,1
23,covalent,SING,C4,C6,,,,,6363,bmse000313,1
24,covalent,SING,C4,C2,,,,,6363,bmse000313,1
25,covalent,SING,C4,H29,,,,,6363,bmse000313,1
26,covalent,SING,C6,C7,,,,,6363,bmse000313,1
27,covalent,SING,C6,H31,,,,,6363,bmse000313,1
28,covalent,SING,C10,C8,,,,,6363,bmse000313,1
29,covalent,SING,C10,C12,,,,,6363,bmse000313,1
30,covalent,SING,C10,H35,,,,,6363,bmse000313,1
31,covalent,SING,C8,C5,,,,,6363,bmse000313,1
32,covalent,SING,C8,H33,,,,,6363,bmse000313,1
33,covalent,SING,C12,H37,,,,,6363,bmse000313,1
34,covalent,SING,C5,C3,,,,,6363,bmse000313,1
35,covalent,SING,C5,H30,,,,,6363,bmse000313,1
36,covalent,SING,C7,C9,,,,,6363,bmse000313,1
37,covalent,SING,C7,H32,,,,,6363,bmse000313,1
38,covalent,SING,C3,C1,,,,,6363,bmse000313,1
39,covalent,SING,C3,H28,,,,,6363,bmse000313,1
40,covalent,SING,C9,C11,,,,,6363,bmse000313,1
41,covalent,SING,C9,H34,,,,,6363,bmse000313,1
42,covalent,SING,C2,H26,,,,,6363,bmse000313,1
43,covalent,SING,C2,H27,,,,,6363,bmse000313,1
44,covalent,SING,C11,H36,,,,,6363,bmse000313,1
45,covalent,SING,C1,H24,,,,,6363,bmse000313,1
46,covalent,SING,C1,H25,,,,,6363,bmse000313,1
1,covalent,DOUB,O15,C10,,,,,6385,bmse000314,1
2,covalent,SING,O13,C9,,,,,6385,bmse000314,1
3,covalent,SING,O13,H33,,,,,6385,bmse000314,1
4,covalent,DOUB,O14,C9,,,,,6385,bmse000314,1
5,covalent,SING,N12,C8,,,,,6385,bmse000314,1
6,covalent,SING,N12,C10,,,,,6385,bmse000314,1
7,covalent,SING,N12,H32,,,,,6385,bmse000314,1
8,covalent,SING,N11,C7,,,,,6385,bmse000314,1
9,covalent,SING,N11,C10,,,,,6385,bmse000314,1
10,covalent,SING,N11,H31,,,,,6385,bmse000314,1
11,covalent,SING,C8,C7,,,,,6385,bmse000314,1
12,covalent,SING,C8,C5,,,,,6385,bmse000314,1
13,covalent,SING,C8,H30,,,,,6385,bmse000314,1
14,covalent,SING,C7,C1,,,,,6385,bmse000314,1
15,covalent,SING,C7,H29,,,,,6385,bmse000314,1
16,covalent,SING,C5,C3,,,,,6385,bmse000314,1
17,covalent,SING,C5,H25,,,,,6385,bmse000314,1
18,covalent,SING,C5,H26,,,,,6385,bmse000314,1
19,covalent,SING,C3,C2,,,,,6385,bmse000314,1
20,covalent,SING,C3,H21,,,,,6385,bmse000314,1
21,covalent,SING,C3,H22,,,,,6385,bmse000314,1
22,covalent,SING,C2,C4,,,,,6385,bmse000314,1
23,covalent,SING,C2,H19,,,,,6385,bmse000314,1
24,covalent,SING,C2,H20,,,,,6385,bmse000314,1
25,covalent,SING,C1,H16,,,,,6385,bmse000314,1
26,covalent,SING,C1,H17,,,,,6385,bmse000314,1
27,covalent,SING,C1,H18,,,,,6385,bmse000314,1
28,covalent,SING,C4,C6,,,,,6385,bmse000314,1
29,covalent,SING,C4,H23,,,,,6385,bmse000314,1
30,covalent,SING,C4,H24,,,,,6385,bmse000314,1
31,covalent,SING,C6,C9,,,,,6385,bmse000314,1
32,covalent,SING,C6,H27,,,,,6385,bmse000314,1
33,covalent,SING,C6,H28,,,,,6385,bmse000314,1
1,covalent,SING,O20,C9,,,,,6407,bmse000315,1
2,covalent,SING,O20,C13,,,,,6407,bmse000315,1
3,covalent,SING,C13,O19,,,,,6407,bmse000315,1
4,covalent,SING,O19,C8,,,,,6407,bmse000315,1
5,covalent,SING,C11,O17,,,,,6407,bmse000315,1
6,covalent,SING,O17,H37,,,,,6407,bmse000315,1
7,covalent,SING,C10,O16,,,,,6407,bmse000315,1
8,covalent,SING,O16,H36,,,,,6407,bmse000315,1
9,covalent,SING,C12,O18,,,,,6407,bmse000315,1
10,covalent,SING,O18,H38,,,,,6407,bmse000315,1
11,covalent,SING,O15,C6,,,,,6407,bmse000315,1
12,covalent,SING,O15,H35,,,,,6407,bmse000315,1
13,covalent,SING,O14,C5,,,,,6407,bmse000315,1
14,covalent,SING,O14,H34,,,,,6407,bmse000315,1
15,covalent,SING,C11,C10,,,,,6407,bmse000315,1
16,covalent,SING,C11,C12,,,,,6407,bmse000315,1
17,covalent,SING,C11,H31,,,,,6407,bmse000315,1
18,covalent,SING,C10,C9,,,,,6407,bmse000315,1
19,covalent,SING,C10,H30,,,,,6407,bmse000315,1
20,covalent,SING,C12,C13,,,,,6407,bmse000315,1
21,covalent,SING,C12,H32,,,,,6407,bmse000315,1
22,covalent,SING,C9,C6,,,,,6407,bmse000315,1
23,covalent,SING,C9,H29,,,,,6407,bmse000315,1
24,covalent,SING,C13,H33,,,,,6407,bmse000315,1
25,covalent,SING,C6,H27,,,,,6407,bmse000315,1
26,covalent,SING,C6,H28,,,,,6407,bmse000315,1
27,covalent,SING,C8,C7,,,,,6407,bmse000315,1
28,covalent,DOUB,C8,C4,,,,,6407,bmse000315,1
29,covalent,DOUB,C7,C3,,,,,6407,bmse000315,1
30,covalent,SING,C7,C5,,,,,6407,bmse000315,1
31,covalent,SING,C4,C2,,,,,6407,bmse000315,1
32,covalent,SING,C4,H24,,,,,6407,bmse000315,1
33,covalent,SING,C3,C1,,,,,6407,bmse000315,1
34,covalent,SING,C3,H23,,,,,6407,bmse000315,1
35,covalent,SING,C5,H25,,,,,6407,bmse000315,1
36,covalent,SING,C5,H26,,,,,6407,bmse000315,1
37,covalent,DOUB,C2,C1,,,,,6407,bmse000315,1
38,covalent,SING,C2,H22,,,,,6407,bmse000315,1
39,covalent,SING,C1,H21,,,,,6407,bmse000315,1
1,covalent,SING,C9,O13,,,,,6429,bmse000316,1
2,covalent,SING,O13,H26,,,,,6429,bmse000316,1
3,covalent,SING,O12,C8,,,,,6429,bmse000316,1
4,covalent,SING,O12,H25,,,,,6429,bmse000316,1
5,covalent,SING,O11,C7,,,,,6429,bmse000316,1
6,covalent,SING,O11,H24,,,,,6429,bmse000316,1
7,covalent,SING,N10,C5,,,,,6429,bmse000316,1
8,covalent,SING,N10,C1,,,,,6429,bmse000316,1
9,covalent,SING,N10,H23,,,,,6429,bmse000316,1
10,covalent,SING,C9,C6,,,,,6429,bmse000316,1
11,covalent,SING,C9,C5,,,,,6429,bmse000316,1
12,covalent,SING,C9,H22,,,,,6429,bmse000316,1
13,covalent,DOUB,C6,C4,,,,,6429,bmse000316,1
14,covalent,SING,C6,C2,,,,,6429,bmse000316,1
15,covalent,SING,C5,H20,,,,,6429,bmse000316,1
16,covalent,SING,C5,H21,,,,,6429,bmse000316,1
17,covalent,SING,C4,C8,,,,,6429,bmse000316,1
18,covalent,SING,C4,H19,,,,,6429,bmse000316,1
19,covalent,DOUB,C2,C3,,,,,6429,bmse000316,1
20,covalent,SING,C2,H17,,,,,6429,bmse000316,1
21,covalent,DOUB,C8,C7,,,,,6429,bmse000316,1
22,covalent,SING,C3,C7,,,,,6429,bmse000316,1
23,covalent,SING,C3,H18,,,,,6429,bmse000316,1
24,covalent,SING,C1,H16,,,,,6429,bmse000316,1
25,covalent,SING,C1,H14,,,,,6429,bmse000316,1
26,covalent,SING,C1,H15,,,,,6429,bmse000316,1
1,covalent,SING,C19,O25,,,,,6451,bmse000317,1
2,covalent,SING,O25,C15,,,,,6451,bmse000317,1
3,covalent,SING,C18,O24,,,,,6451,bmse000317,1
4,covalent,SING,O24,H47,,,,,6451,bmse000317,1
5,covalent,SING,C11,O20,,,,,6451,bmse000317,1
6,covalent,SING,O20,H45,,,,,6451,bmse000317,1
7,covalent,DOUB,O23,C15,,,,,6451,bmse000317,1
8,covalent,SING,O21,C14,,,,,6451,bmse000317,1
9,covalent,SING,O21,H46,,,,,6451,bmse000317,1
10,covalent,DOUB,O22,C14,,,,,6451,bmse000317,1
11,covalent,SING,C17,C10,,,,,6451,bmse000317,1
12,covalent,SING,C17,C12,,,,,6451,bmse000317,1
13,covalent,SING,C17,C8,,,,,6451,bmse000317,1
14,covalent,SING,C17,C7,,,,,6451,bmse000317,1
15,covalent,SING,C10,C19,,,,,6451,bmse000317,1
16,covalent,SING,C10,C3,,,,,6451,bmse000317,1
17,covalent,SING,C10,H41,,,,,6451,bmse000317,1
18,covalent,SING,C13,C19,,,,,6451,bmse000317,1
19,covalent,SING,C13,C12,,,,,6451,bmse000317,1
20,covalent,SING,C13,C16,,,,,6451,bmse000317,1
21,covalent,SING,C13,H44,,,,,6451,bmse000317,1
22,covalent,SING,C19,C6,,,,,6451,bmse000317,1
23,covalent,SING,C12,C14,,,,,6451,bmse000317,1
24,covalent,SING,C12,H43,,,,,6451,bmse000317,1
25,covalent,SING,C8,C18,,,,,6451,bmse000317,1
26,covalent,SING,C8,H39,,,,,6451,bmse000317,1
27,covalent,SING,C8,H40,,,,,6451,bmse000317,1
28,covalent,SING,C16,C11,,,,,6451,bmse000317,1
29,covalent,SING,C16,C15,,,,,6451,bmse000317,1
30,covalent,SING,C16,C2,,,,,6451,bmse000317,1
31,covalent,SING,C18,C5,,,,,6451,bmse000317,1
32,covalent,SING,C18,C9,,,,,6451,bmse000317,1
33,covalent,SING,C7,C9,,,,,6451,bmse000317,1
34,covalent,SING,C7,H37,,,,,6451,bmse000317,1
35,covalent,SING,C7,H38,,,,,6451,bmse000317,1
36,covalent,SING,C3,C5,,,,,6451,bmse000317,1
37,covalent,SING,C3,H31,,,,,6451,bmse000317,1
38,covalent,SING,C3,H32,,,,,6451,bmse000317,1
39,covalent,SING,C5,H34,,,,,6451,bmse000317,1
40,covalent,SING,C5,H35,,,,,6451,bmse000317,1
41,covalent,DOUB,C9,C1,,,,,6451,bmse000317,1
42,covalent,DOUB,C6,C4,,,,,6451,bmse000317,1
43,covalent,SING,C6,H36,,,,,6451,bmse000317,1
44,covalent,SING,C11,C4,,,,,6451,bmse000317,1
45,covalent,SING,C11,H42,,,,,6451,bmse000317,1
46,covalent,SING,C2,H30,,,,,6451,bmse000317,1
47,covalent,SING,C2,H28,,,,,6451,bmse000317,1
48,covalent,SING,C2,H29,,,,,6451,bmse000317,1
49,covalent,SING,C4,H33,,,,,6451,bmse000317,1
50,covalent,SING,C1,H26,,,,,6451,bmse000317,1
51,covalent,SING,C1,H27,,,,,6451,bmse000317,1
1,covalent,SING,O15,C8,,,,,6473,bmse000318,1
2,covalent,SING,O15,C1,,,,,6473,bmse000318,1
3,covalent,SING,O16,C9,,,,,6473,bmse000318,1
4,covalent,SING,O16,C2,,,,,6473,bmse000318,1
5,covalent,SING,O14,C11,,,,,6473,bmse000318,1
6,covalent,SING,O14,H28,,,,,6473,bmse000318,1
7,covalent,SING,O12,C10,,,,,6473,bmse000318,1
8,covalent,SING,O12,H27,,,,,6473,bmse000318,1
9,covalent,DOUB,O13,C10,,,,,6473,bmse000318,1
10,covalent,DOUB,C7,C5,,,,,6473,bmse000318,1
11,covalent,SING,C7,C6,,,,,6473,bmse000318,1
12,covalent,SING,C7,C3,,,,,6473,bmse000318,1
13,covalent,DOUB,C8,C11,,,,,6473,bmse000318,1
14,covalent,SING,C8,C5,,,,,6473,bmse000318,1
15,covalent,SING,C9,C11,,,,,6473,bmse000318,1
16,covalent,DOUB,C9,C6,,,,,6473,bmse000318,1
17,covalent,SING,C5,H25,,,,,6473,bmse000318,1
18,covalent,SING,C6,H26,,,,,6473,bmse000318,1
19,covalent,DOUB,C3,C4,,,,,6473,bmse000318,1
20,covalent,SING,C3,H23,,,,,6473,bmse000318,1
21,covalent,SING,C4,C10,,,,,6473,bmse000318,1
22,covalent,SING,C4,H24,,,,,6473,bmse000318,1
23,covalent,SING,C1,H19,,,,,6473,bmse000318,1
24,covalent,SING,C1,H18,,,,,6473,bmse000318,1
25,covalent,SING,C1,H17,,,,,6473,bmse000318,1
26,covalent,SING,C2,H20,,,,,6473,bmse000318,1
27,covalent,SING,C2,H22,,,,,6473,bmse000318,1
28,covalent,SING,C2,H21,,,,,6473,bmse000318,1
1,covalent,DOUB,O7,C5,,,,,6495,bmse000319,1
2,covalent,SING,O8,C6,,,,,6495,bmse000319,1
3,covalent,SING,O8,H19,,,,,6495,bmse000319,1
4,covalent,DOUB,O9,C6,,,,,6495,bmse000319,1
5,covalent,SING,C4,C3,,,,,6495,bmse000319,1
6,covalent,SING,C4,C2,,,,,6495,bmse000319,1
7,covalent,SING,C4,C5,,,,,6495,bmse000319,1
8,covalent,SING,C4,H18,,,,,6495,bmse000319,1
9,covalent,SING,C3,C1,,,,,6495,bmse000319,1
10,covalent,SING,C3,H16,,,,,6495,bmse000319,1
11,covalent,SING,C3,H17,,,,,6495,bmse000319,1
12,covalent,SING,C2,H15,,,,,6495,bmse000319,1
13,covalent,SING,C2,H14,,,,,6495,bmse000319,1
14,covalent,SING,C2,H13,,,,,6495,bmse000319,1
15,covalent,SING,C5,C6,,,,,6495,bmse000319,1
16,covalent,SING,C1,H12,,,,,6495,bmse000319,1
17,covalent,SING,C1,H11,,,,,6495,bmse000319,1
18,covalent,SING,C1,H10,,,,,6495,bmse000319,1
1,covalent,SING,O16,C8,,,,,6517,bmse000320,1
2,covalent,SING,O16,C6,,,,,6517,bmse000320,1
3,covalent,SING,C5,O13,,,,,6517,bmse000320,1
4,covalent,SING,O13,H28,,,,,6517,bmse000320,1
5,covalent,SING,O12,C4,,,,,6517,bmse000320,1
6,covalent,SING,O12,H27,,,,,6517,bmse000320,1
7,covalent,DOUB,O15,C9,,,,,6517,bmse000320,1
8,covalent,DOUB,O14,C7,,,,,6517,bmse000320,1
9,covalent,SING,C8,N11,,,,,6517,bmse000320,1
10,covalent,SING,N11,C9,,,,,6517,bmse000320,1
11,covalent,SING,N11,C2,,,,,6517,bmse000320,1
12,covalent,SING,N10,C9,,,,,6517,bmse000320,1
13,covalent,SING,N10,C7,,,,,6517,bmse000320,1
14,covalent,SING,N10,H26,,,,,6517,bmse000320,1
15,covalent,SING,C5,C3,,,,,6517,bmse000320,1
16,covalent,SING,C5,C6,,,,,6517,bmse000320,1
17,covalent,SING,C5,H23,,,,,6517,bmse000320,1
18,covalent,SING,C3,C8,,,,,6517,bmse000320,1
19,covalent,SING,C3,H19,,,,,6517,bmse000320,1
20,covalent,SING,C3,H20,,,,,6517,bmse000320,1
21,covalent,SING,C8,H25,,,,,6517,bmse000320,1
22,covalent,SING,C6,C4,,,,,6517,bmse000320,1
23,covalent,SING,C6,H24,,,,,6517,bmse000320,1
24,covalent,SING,C4,H21,,,,,6517,bmse000320,1
25,covalent,SING,C4,H22,,,,,6517,bmse000320,1
26,covalent,DOUB,C2,C1,,,,,6517,bmse000320,1
27,covalent,SING,C2,H18,,,,,6517,bmse000320,1
28,covalent,SING,C1,C7,,,,,6517,bmse000320,1
29,covalent,SING,C1,H17,,,,,6517,bmse000320,1
1,covalent,SING,O9,C5,,,,,6537,bmse000321,1
2,covalent,SING,O9,H17,,,,,6537,bmse000321,1
3,covalent,SING,O10,C7,,,,,6537,bmse000321,1
4,covalent,SING,O10,H18,,,,,6537,bmse000321,1
5,covalent,DOUB,O11,C7,,,,,6537,bmse000321,1
6,covalent,SING,N8,C6,,,,,6537,bmse000321,1
7,covalent,SING,N8,H15,,,,,6537,bmse000321,1
8,covalent,SING,N8,H16,,,,,6537,bmse000321,1
9,covalent,DOUB,C6,C4,,,,,6537,bmse000321,1
10,covalent,SING,C6,C5,,,,,6537,bmse000321,1
11,covalent,SING,C4,C2,,,,,6537,bmse000321,1
12,covalent,SING,C4,C7,,,,,6537,bmse000321,1
13,covalent,DOUB,C5,C3,,,,,6537,bmse000321,1
14,covalent,DOUB,C2,C1,,,,,6537,bmse000321,1
15,covalent,SING,C2,H13,,,,,6537,bmse000321,1
16,covalent,SING,C3,C1,,,,,6537,bmse000321,1
17,covalent,SING,C3,H14,,,,,6537,bmse000321,1
18,covalent,SING,C1,H12,,,,,6537,bmse000321,1
1,covalent,SING,O12,C8,,,,,6559,bmse000322,1
2,covalent,SING,O12,H24,,,,,6559,bmse000322,1
3,covalent,SING,O13,C9,,,,,6559,bmse000322,1
4,covalent,SING,O13,H25,,,,,6559,bmse000322,1
5,covalent,SING,O11,C7,,,,,6559,bmse000322,1
6,covalent,SING,O11,H23,,,,,6559,bmse000322,1
7,covalent,DOUB,O14,C9,,,,,6559,bmse000322,1
8,covalent,SING,C6,N10,,,,,6559,bmse000322,1
9,covalent,SING,N10,H21,,,,,6559,bmse000322,1
10,covalent,SING,N10,H22,,,,,6559,bmse000322,1
11,covalent,SING,C3,C6,,,,,6559,bmse000322,1
12,covalent,SING,C3,C5,,,,,6559,bmse000322,1
13,covalent,SING,C3,H17,,,,,6559,bmse000322,1
14,covalent,SING,C3,H18,,,,,6559,bmse000322,1
15,covalent,SING,C6,C9,,,,,6559,bmse000322,1
16,covalent,SING,C6,H20,,,,,6559,bmse000322,1
17,covalent,DOUB,C5,C4,,,,,6559,bmse000322,1
18,covalent,SING,C5,C1,,,,,6559,bmse000322,1
19,covalent,SING,C4,C8,,,,,6559,bmse000322,1
20,covalent,SING,C4,H19,,,,,6559,bmse000322,1
21,covalent,DOUB,C1,C2,,,,,6559,bmse000322,1
22,covalent,SING,C1,H15,,,,,6559,bmse000322,1
23,covalent,DOUB,C8,C7,,,,,6559,bmse000322,1
24,covalent,SING,C2,C7,,,,,6559,bmse000322,1
25,covalent,SING,C2,H16,,,,,6559,bmse000322,1
1,covalent,SING,O16,C6,,,,,6581,bmse000323,1
2,covalent,SING,O16,C8,,,,,6581,bmse000323,1
3,covalent,SING,O14,C5,,,,,6581,bmse000323,1
4,covalent,SING,O14,H29,,,,,6581,bmse000323,1
5,covalent,SING,O13,C4,,,,,6581,bmse000323,1
6,covalent,SING,O13,H28,,,,,6581,bmse000323,1
7,covalent,DOUB,O15,C9,,,,,6581,bmse000323,1
8,covalent,SING,N12,C8,,,,,6581,bmse000323,1
9,covalent,SING,N12,C2,,,,,6581,bmse000323,1
10,covalent,SING,N12,C9,,,,,6581,bmse000323,1
11,covalent,SING,N11,C9,,,,,6581,bmse000323,1
12,covalent,DOUB,N11,C7,,,,,6581,bmse000323,1
13,covalent,SING,N10,C7,,,,,6581,bmse000323,1
14,covalent,SING,N10,H26,,,,,6581,bmse000323,1
15,covalent,SING,N10,H27,,,,,6581,bmse000323,1
16,covalent,SING,C5,C3,,,,,6581,bmse000323,1
17,covalent,SING,C5,C6,,,,,6581,bmse000323,1
18,covalent,SING,C5,H23,,,,,6581,bmse000323,1
19,covalent,SING,C3,C8,,,,,6581,bmse000323,1
20,covalent,SING,C3,H19,,,,,6581,bmse000323,1
21,covalent,SING,C3,H20,,,,,6581,bmse000323,1
22,covalent,SING,C6,C4,,,,,6581,bmse000323,1
23,covalent,SING,C6,H24,,,,,6581,bmse000323,1
24,covalent,SING,C8,H25,,,,,6581,bmse000323,1
25,covalent,SING,C4,H21,,,,,6581,bmse000323,1
26,covalent,SING,C4,H22,,,,,6581,bmse000323,1
27,covalent,DOUB,C2,C1,,,,,6581,bmse000323,1
28,covalent,SING,C2,H18,,,,,6581,bmse000323,1
29,covalent,SING,C1,C7,,,,,6581,bmse000323,1
30,covalent,SING,C1,H17,,,,,6581,bmse000323,1
1,covalent,SING,O8,C6,,,,,6604,bmse000324,1
2,covalent,SING,O8,H15,,,,,6604,bmse000324,1
3,covalent,SING,O9,C7,,,,,6604,bmse000324,1
4,covalent,SING,O9,H16,,,,,6604,bmse000324,1
5,covalent,DOUB,O10,C7,,,,,6604,bmse000324,1
6,covalent,DOUB,C5,C4,,,,,6604,bmse000324,1
7,covalent,SING,C5,C2,,,,,6604,bmse000324,1
8,covalent,SING,C5,C7,,,,,6604,bmse000324,1
9,covalent,SING,C4,C6,,,,,6604,bmse000324,1
10,covalent,SING,C4,H14,,,,,6604,bmse000324,1
11,covalent,DOUB,C2,C1,,,,,6604,bmse000324,1
12,covalent,SING,C2,H12,,,,,6604,bmse000324,1
13,covalent,DOUB,C6,C3,,,,,6604,bmse000324,1
14,covalent,SING,C1,C3,,,,,6604,bmse000324,1
15,covalent,SING,C1,H11,,,,,6604,bmse000324,1
16,covalent,SING,C3,H13,,,,,6604,bmse000324,1
1,covalent,DOUB,O5,C3,,,,,6626,bmse000325,1
2,covalent,SING,O6,C4,,,,,6626,bmse000325,1
3,covalent,SING,O6,H13,,,,,6626,bmse000325,1
4,covalent,DOUB,O7,C4,,,,,6626,bmse000325,1
5,covalent,SING,C2,C1,,,,,6626,bmse000325,1
6,covalent,SING,C2,C3,,,,,6626,bmse000325,1
7,covalent,SING,C2,H11,,,,,6626,bmse000325,1
8,covalent,SING,C2,H12,,,,,6626,bmse000325,1
9,covalent,SING,C1,H8,,,,,6626,bmse000325,1
10,covalent,SING,C1,H9,,,,,6626,bmse000325,1
11,covalent,SING,C1,H10,,,,,6626,bmse000325,1
12,covalent,SING,C3,C4,,,,,6626,bmse000325,1
1,covalent,SING,O9,C6,,,,,6647,bmse000326,1
2,covalent,SING,O9,H16,,,,,6647,bmse000326,1
3,covalent,SING,O8,C4,,,,,6647,bmse000326,1
4,covalent,SING,O8,H15,,,,,6647,bmse000326,1
5,covalent,SING,O10,C7,,,,,6647,bmse000326,1
6,covalent,SING,O10,H17,,,,,6647,bmse000326,1
7,covalent,DOUB,O11,C7,,,,,6647,bmse000326,1
8,covalent,DOUB,C5,C6,,,,,6647,bmse000326,1
9,covalent,SING,C5,C3,,,,,6647,bmse000326,1
10,covalent,SING,C5,C7,,,,,6647,bmse000326,1
11,covalent,SING,C6,C2,,,,,6647,bmse000326,1
12,covalent,DOUB,C3,C4,,,,,6647,bmse000326,1
13,covalent,SING,C3,H14,,,,,6647,bmse000326,1
14,covalent,SING,C4,C1,,,,,6647,bmse000326,1
15,covalent,DOUB,C2,C1,,,,,6647,bmse000326,1
16,covalent,SING,C2,H13,,,,,6647,bmse000326,1
17,covalent,SING,C1,H12,,,,,6647,bmse000326,1
1,covalent,SING,I11,C6,,,,,6670,bmse000327,1
2,covalent,SING,I10,C5,,,,,6670,bmse000327,1
3,covalent,SING,O14,C9,,,,,6670,bmse000327,1
4,covalent,SING,O14,H24,,,,,6670,bmse000327,1
5,covalent,SING,O13,C8,,,,,6670,bmse000327,1
6,covalent,SING,O13,H23,,,,,6670,bmse000327,1
7,covalent,DOUB,O15,C9,,,,,6670,bmse000327,1
8,covalent,SING,C7,N12,,,,,6670,bmse000327,1
9,covalent,SING,N12,H21,,,,,6670,bmse000327,1
10,covalent,SING,N12,H22,,,,,6670,bmse000327,1
11,covalent,SING,C3,C7,,,,,6670,bmse000327,1
12,covalent,SING,C3,C4,,,,,6670,bmse000327,1
13,covalent,SING,C3,H18,,,,,6670,bmse000327,1
14,covalent,SING,C3,H19,,,,,6670,bmse000327,1
15,covalent,SING,C7,C9,,,,,6670,bmse000327,1
16,covalent,SING,C7,H20,,,,,6670,bmse000327,1
17,covalent,DOUB,C4,C1,,,,,6670,bmse000327,1
18,covalent,SING,C4,C2,,,,,6670,bmse000327,1
19,covalent,SING,C1,C5,,,,,6670,bmse000327,1
20,covalent,SING,C1,H16,,,,,6670,bmse000327,1
21,covalent,DOUB,C2,C6,,,,,6670,bmse000327,1
22,covalent,SING,C2,H17,,,,,6670,bmse000327,1
23,covalent,SING,C6,C8,,,,,6670,bmse000327,1
24,covalent,DOUB,C5,C8,,,,,6670,bmse000327,1
1,covalent,SING,O9,C6,,,,,6692,bmse000328,1
2,covalent,SING,O9,H16,,,,,6692,bmse000328,1
3,covalent,SING,O8,C5,,,,,6692,bmse000328,1
4,covalent,SING,O8,H15,,,,,6692,bmse000328,1
5,covalent,SING,O10,C7,,,,,6692,bmse000328,1
6,covalent,SING,O10,H17,,,,,6692,bmse000328,1
7,covalent,DOUB,O11,C7,,,,,6692,bmse000328,1
8,covalent,DOUB,C4,C3,,,,,6692,bmse000328,1
9,covalent,SING,C4,C1,,,,,6692,bmse000328,1
10,covalent,SING,C4,C7,,,,,6692,bmse000328,1
11,covalent,SING,C3,C6,,,,,6692,bmse000328,1
12,covalent,SING,C3,H14,,,,,6692,bmse000328,1
13,covalent,DOUB,C6,C5,,,,,6692,bmse000328,1
14,covalent,DOUB,C1,C2,,,,,6692,bmse000328,1
15,covalent,SING,C1,H12,,,,,6692,bmse000328,1
16,covalent,SING,C5,C2,,,,,6692,bmse000328,1
17,covalent,SING,C2,H13,,,,,6692,bmse000328,1
1,covalent,SING,O10,C7,,,,,6714,bmse000329,1
2,covalent,SING,O10,H19,,,,,6714,bmse000329,1
3,covalent,SING,O9,C6,,,,,6714,bmse000329,1
4,covalent,SING,O9,H18,,,,,6714,bmse000329,1
5,covalent,SING,O11,C8,,,,,6714,bmse000329,1
6,covalent,SING,O11,H20,,,,,6714,bmse000329,1
7,covalent,DOUB,O12,C8,,,,,6714,bmse000329,1
8,covalent,SING,C5,C4,,,,,6714,bmse000329,1
9,covalent,DOUB,C5,C3,,,,,6714,bmse000329,1
10,covalent,SING,C5,C1,,,,,6714,bmse000329,1
11,covalent,SING,C4,C8,,,,,6714,bmse000329,1
12,covalent,SING,C4,H16,,,,,6714,bmse000329,1
13,covalent,SING,C4,H17,,,,,6714,bmse000329,1
14,covalent,SING,C3,C7,,,,,6714,bmse000329,1
15,covalent,SING,C3,H15,,,,,6714,bmse000329,1
16,covalent,DOUB,C1,C2,,,,,6714,bmse000329,1
17,covalent,SING,C1,H13,,,,,6714,bmse000329,1
18,covalent,DOUB,C7,C6,,,,,6714,bmse000329,1
19,covalent,SING,C2,C6,,,,,6714,bmse000329,1
20,covalent,SING,C2,H14,,,,,6714,bmse000329,1
1,covalent,SING,O8,C4,,,,,6736,bmse000330,1
2,covalent,SING,O8,C3,,,,,6736,bmse000330,1
3,covalent,SING,O6,C5,,,,,6736,bmse000330,1
4,covalent,SING,O6,H12,,,,,6736,bmse000330,1
5,covalent,DOUB,O7,C5,,,,,6736,bmse000330,1
6,covalent,DOUB,C4,C2,,,,,6736,bmse000330,1
7,covalent,SING,C4,C5,,,,,6736,bmse000330,1
8,covalent,SING,C2,C1,,,,,6736,bmse000330,1
9,covalent,SING,C2,H10,,,,,6736,bmse000330,1
10,covalent,DOUB,C1,C3,,,,,6736,bmse000330,1
11,covalent,SING,C1,H9,,,,,6736,bmse000330,1
12,covalent,SING,C3,H11,,,,,6736,bmse000330,1
1,covalent,SING,O10,C8,,,,,6758,bmse000331,1
2,covalent,SING,O10,H21,,,,,6758,bmse000331,1
3,covalent,SING,O11,C9,,,,,6758,bmse000331,1
4,covalent,SING,O11,H22,,,,,6758,bmse000331,1
5,covalent,DOUB,O12,C9,,,,,6758,bmse000331,1
6,covalent,SING,C5,C7,,,,,6758,bmse000331,1
7,covalent,SING,C5,C6,,,,,6758,bmse000331,1
8,covalent,SING,C5,H17,,,,,6758,bmse000331,1
9,covalent,SING,C5,H18,,,,,6758,bmse000331,1
10,covalent,SING,C7,C8,,,,,6758,bmse000331,1
11,covalent,DOUB,C7,C3,,,,,6758,bmse000331,1
12,covalent,SING,C6,C9,,,,,6758,bmse000331,1
13,covalent,SING,C6,H19,,,,,6758,bmse000331,1
14,covalent,SING,C6,H20,,,,,6758,bmse000331,1
15,covalent,DOUB,C8,C4,,,,,6758,bmse000331,1
16,covalent,SING,C3,C1,,,,,6758,bmse000331,1
17,covalent,SING,C3,H15,,,,,6758,bmse000331,1
18,covalent,SING,C4,C2,,,,,6758,bmse000331,1
19,covalent,SING,C4,H16,,,,,6758,bmse000331,1
20,covalent,DOUB,C1,C2,,,,,6758,bmse000331,1
21,covalent,SING,C1,H13,,,,,6758,bmse000331,1
22,covalent,SING,C2,H14,,,,,6758,bmse000331,1
1,covalent,SING,Cl8,C6,,,,,6780,bmse000332,1
2,covalent,SING,O9,C7,,,,,6780,bmse000332,1
3,covalent,SING,O9,H15,,,,,6780,bmse000332,1
4,covalent,DOUB,O10,C7,,,,,6780,bmse000332,1
5,covalent,SING,C5,C6,,,,,6780,bmse000332,1
6,covalent,DOUB,C5,C3,,,,,6780,bmse000332,1
7,covalent,SING,C5,C7,,,,,6780,bmse000332,1
8,covalent,DOUB,C6,C4,,,,,6780,bmse000332,1
9,covalent,SING,C3,C1,,,,,6780,bmse000332,1
10,covalent,SING,C3,H13,,,,,6780,bmse000332,1
11,covalent,SING,C4,C2,,,,,6780,bmse000332,1
12,covalent,SING,C4,H14,,,,,6780,bmse000332,1
13,covalent,DOUB,C1,C2,,,,,6780,bmse000332,1
14,covalent,SING,C1,H11,,,,,6780,bmse000332,1
15,covalent,SING,C2,H12,,,,,6780,bmse000332,1
1,covalent,SING,O7,C3,,,,,6802,bmse000333,1
2,covalent,SING,O7,H17,,,,,6802,bmse000333,1
3,covalent,DOUB,O8,C3,,,,,6802,bmse000333,1
4,covalent,DOUB,O9,C4,,,,,6802,bmse000333,1
5,covalent,SING,N6,C2,,,,,6802,bmse000333,1
6,covalent,SING,N6,C4,,,,,6802,bmse000333,1
7,covalent,SING,N6,H16,,,,,6802,bmse000333,1
8,covalent,SING,N5,C4,,,,,6802,bmse000333,1
9,covalent,SING,N5,H14,,,,,6802,bmse000333,1
10,covalent,SING,N5,H15,,,,,6802,bmse000333,1
11,covalent,SING,C2,C1,,,,,6802,bmse000333,1
12,covalent,SING,C2,H12,,,,,6802,bmse000333,1
13,covalent,SING,C2,H13,,,,,6802,bmse000333,1
14,covalent,SING,C1,C3,,,,,6802,bmse000333,1
15,covalent,SING,C1,H10,,,,,6802,bmse000333,1
16,covalent,SING,C1,H11,,,,,6802,bmse000333,1
1,covalent,SING,O9,C7,,,,,6824,bmse000334,1
2,covalent,SING,O9,H17,,,,,6824,bmse000334,1
3,covalent,SING,O8,C6,,,,,6824,bmse000334,1
4,covalent,SING,O8,H16,,,,,6824,bmse000334,1
5,covalent,DOUB,C5,C7,,,,,6824,bmse000334,1
6,covalent,SING,C5,C3,,,,,6824,bmse000334,1
7,covalent,SING,C5,C1,,,,,6824,bmse000334,1
8,covalent,SING,C7,C6,,,,,6824,bmse000334,1
9,covalent,DOUB,C3,C2,,,,,6824,bmse000334,1
10,covalent,SING,C3,H14,,,,,6824,bmse000334,1
11,covalent,DOUB,C6,C4,,,,,6824,bmse000334,1
12,covalent,SING,C1,H11,,,,,6824,bmse000334,1
13,covalent,SING,C1,H12,,,,,6824,bmse000334,1
14,covalent,SING,C1,H10,,,,,6824,bmse000334,1
15,covalent,SING,C2,C4,,,,,6824,bmse000334,1
16,covalent,SING,C2,H13,,,,,6824,bmse000334,1
17,covalent,SING,C4,H15,,,,,6824,bmse000334,1
1,covalent,SING,O11,C6,,,,,6847,bmse000335,1
2,covalent,SING,O11,H21,,,,,6847,bmse000335,1
3,covalent,SING,O7,C4,,,,,6847,bmse000335,1
4,covalent,SING,O7,H19,,,,,6847,bmse000335,1
5,covalent,SING,O9,C5,,,,,6847,bmse000335,1
6,covalent,SING,O9,H20,,,,,6847,bmse000335,1
7,covalent,DOUB,O8,C4,,,,,6847,bmse000335,1
8,covalent,DOUB,O10,C5,,,,,6847,bmse000335,1
9,covalent,SING,C6,C2,,,,,6847,bmse000335,1
10,covalent,SING,C6,C3,,,,,6847,bmse000335,1
11,covalent,SING,C6,C1,,,,,6847,bmse000335,1
12,covalent,SING,C2,C4,,,,,6847,bmse000335,1
13,covalent,SING,C2,H15,,,,,6847,bmse000335,1
14,covalent,SING,C2,H16,,,,,6847,bmse000335,1
15,covalent,SING,C3,C5,,,,,6847,bmse000335,1
16,covalent,SING,C3,H17,,,,,6847,bmse000335,1
17,covalent,SING,C3,H18,,,,,6847,bmse000335,1
18,covalent,SING,C1,H13,,,,,6847,bmse000335,1
19,covalent,SING,C1,H14,,,,,6847,bmse000335,1
20,covalent,SING,C1,H12,,,,,6847,bmse000335,1
1,covalent,SING,Cl8,C4,,,,,6868,bmse000336,1
2,covalent,SING,Cl7,C3,,,,,6868,bmse000336,1
3,covalent,SING,O10,C6,,,,,6868,bmse000336,1
4,covalent,SING,O10,H14,,,,,6868,bmse000336,1
5,covalent,SING,O9,C5,,,,,6868,bmse000336,1
6,covalent,SING,O9,H13,,,,,6868,bmse000336,1
7,covalent,DOUB,C6,C5,,,,,6868,bmse000336,1
8,covalent,SING,C6,C4,,,,,6868,bmse000336,1
9,covalent,SING,C5,C2,,,,,6868,bmse000336,1
10,covalent,DOUB,C4,C1,,,,,6868,bmse000336,1
11,covalent,DOUB,C2,C3,,,,,6868,bmse000336,1
12,covalent,SING,C2,H12,,,,,6868,bmse000336,1
13,covalent,SING,C1,C3,,,,,6868,bmse000336,1
14,covalent,SING,C1,H11,,,,,6868,bmse000336,1
1,covalent,SING,I10,C6,,,,,6890,bmse000337,1
2,covalent,SING,O13,C9,,,,,6890,bmse000337,1
3,covalent,SING,O13,H24,,,,,6890,bmse000337,1
4,covalent,SING,O12,C8,,,,,6890,bmse000337,1
5,covalent,SING,O12,H23,,,,,6890,bmse000337,1
6,covalent,DOUB,O14,C9,,,,,6890,bmse000337,1
7,covalent,SING,C7,N11,,,,,6890,bmse000337,1
8,covalent,SING,N11,H21,,,,,6890,bmse000337,1
9,covalent,SING,N11,H22,,,,,6890,bmse000337,1
10,covalent,SING,C4,C7,,,,,6890,bmse000337,1
11,covalent,SING,C4,C5,,,,,6890,bmse000337,1
12,covalent,SING,C4,H18,,,,,6890,bmse000337,1
13,covalent,SING,C4,H19,,,,,6890,bmse000337,1
14,covalent,SING,C7,C9,,,,,6890,bmse000337,1
15,covalent,SING,C7,H20,,,,,6890,bmse000337,1
16,covalent,DOUB,C5,C3,,,,,6890,bmse000337,1
17,covalent,SING,C5,C1,,,,,6890,bmse000337,1
18,covalent,SING,C3,C6,,,,,6890,bmse000337,1
19,covalent,SING,C3,H17,,,,,6890,bmse000337,1
20,covalent,DOUB,C1,C2,,,,,6890,bmse000337,1
21,covalent,SING,C1,H15,,,,,6890,bmse000337,1
22,covalent,DOUB,C6,C8,,,,,6890,bmse000337,1
23,covalent,SING,C2,C8,,,,,6890,bmse000337,1
24,covalent,SING,C2,H16,,,,,6890,bmse000337,1
1,covalent,SING,O7,C5,,,,,6913,bmse000338,1
2,covalent,SING,O7,H20,,,,,6913,bmse000338,1
3,covalent,SING,O8,C6,,,,,6913,bmse000338,1
4,covalent,SING,O8,H21,,,,,6913,bmse000338,1
5,covalent,DOUB,O9,C6,,,,,6913,bmse000338,1
6,covalent,SING,C4,C3,,,,,6913,bmse000338,1
7,covalent,SING,C4,C1,,,,,6913,bmse000338,1
8,covalent,SING,C4,C2,,,,,6913,bmse000338,1
9,covalent,SING,C4,H18,,,,,6913,bmse000338,1
10,covalent,SING,C3,C5,,,,,6913,bmse000338,1
11,covalent,SING,C3,H16,,,,,6913,bmse000338,1
12,covalent,SING,C3,H17,,,,,6913,bmse000338,1
13,covalent,SING,C5,C6,,,,,6913,bmse000338,1
14,covalent,SING,C5,H19,,,,,6913,bmse000338,1
15,covalent,SING,C1,H11,,,,,6913,bmse000338,1
16,covalent,SING,C1,H12,,,,,6913,bmse000338,1
17,covalent,SING,C1,H10,,,,,6913,bmse000338,1
18,covalent,SING,C2,H15,,,,,6913,bmse000338,1
19,covalent,SING,C2,H14,,,,,6913,bmse000338,1
20,covalent,SING,C2,H13,,,,,6913,bmse000338,1
1,covalent,SING,O9,C7,,,,,6935,bmse000339,1
2,covalent,SING,O9,H18,,,,,6935,bmse000339,1
3,covalent,SING,O10,C8,,,,,6935,bmse000339,1
4,covalent,SING,O10,H19,,,,,6935,bmse000339,1
5,covalent,DOUB,O11,C8,,,,,6935,bmse000339,1
6,covalent,SING,C6,C5,,,,,6935,bmse000339,1
7,covalent,DOUB,C6,C4,,,,,6935,bmse000339,1
8,covalent,SING,C6,C2,,,,,6935,bmse000339,1
9,covalent,SING,C5,C8,,,,,6935,bmse000339,1
10,covalent,SING,C5,H16,,,,,6935,bmse000339,1
11,covalent,SING,C5,H17,,,,,6935,bmse000339,1
12,covalent,SING,C4,C7,,,,,6935,bmse000339,1
13,covalent,SING,C4,H15,,,,,6935,bmse000339,1
14,covalent,DOUB,C2,C1,,,,,6935,bmse000339,1
15,covalent,SING,C2,H13,,,,,6935,bmse000339,1
16,covalent,DOUB,C7,C3,,,,,6935,bmse000339,1
17,covalent,SING,C1,C3,,,,,6935,bmse000339,1
18,covalent,SING,C1,H12,,,,,6935,bmse000339,1
19,covalent,SING,C3,H14,,,,,6935,bmse000339,1
1,covalent,SING,O6,C4,,,,,6957,bmse000340,1
2,covalent,SING,O6,H16,,,,,6957,bmse000340,1
3,covalent,DOUB,O7,C4,,,,,6957,bmse000340,1
4,covalent,SING,N5,C3,,,,,6957,bmse000340,1
5,covalent,SING,N5,H14,,,,,6957,bmse000340,1
6,covalent,SING,N5,H15,,,,,6957,bmse000340,1
7,covalent,SING,C1,C2,,,,,6957,bmse000340,1
8,covalent,SING,C1,C3,,,,,6957,bmse000340,1
9,covalent,SING,C1,H8,,,,,6957,bmse000340,1
10,covalent,SING,C1,H9,,,,,6957,bmse000340,1
11,covalent,SING,C2,C4,,,,,6957,bmse000340,1
12,covalent,SING,C2,H10,,,,,6957,bmse000340,1
13,covalent,SING,C2,H11,,,,,6957,bmse000340,1
14,covalent,SING,C3,H12,,,,,6957,bmse000340,1
15,covalent,SING,C3,H13,,,,,6957,bmse000340,1
1,covalent,SING,O9,C6,,,,,6978,bmse000341,1
2,covalent,SING,O9,H15,,,,,6978,bmse000341,1
3,covalent,DOUB,O8,C5,,,,,6978,bmse000341,1
4,covalent,DOUB,O10,C6,,,,,6978,bmse000341,1
5,covalent,SING,N7,C3,,,,,6978,bmse000341,1
6,covalent,SING,N7,C5,,,,,6978,bmse000341,1
7,covalent,SING,N7,H14,,,,,6978,bmse000341,1
8,covalent,DOUB,C4,C3,,,,,6978,bmse000341,1
9,covalent,SING,C4,C1,,,,,6978,bmse000341,1
10,covalent,SING,C4,C6,,,,,6978,bmse000341,1
11,covalent,SING,C3,H13,,,,,6978,bmse000341,1
12,covalent,DOUB,C1,C2,,,,,6978,bmse000341,1
13,covalent,SING,C1,H11,,,,,6978,bmse000341,1
14,covalent,SING,C2,C5,,,,,6978,bmse000341,1
15,covalent,SING,C2,H12,,,,,6978,bmse000341,1
1,covalent,SING,O9,C4,,,,,7000,bmse000342,1
2,covalent,SING,O9,H17,,,,,7000,bmse000342,1
3,covalent,DOUB,O8,C3,,,,,7000,bmse000342,1
4,covalent,DOUB,O11,C5,,,,,7000,bmse000342,1
5,covalent,DOUB,O10,C4,,,,,7000,bmse000342,1
6,covalent,SING,N6,C2,,,,,7000,bmse000342,1
7,covalent,SING,N6,C5,,,,,7000,bmse000342,1
8,covalent,SING,N6,H15,,,,,7000,bmse000342,1
9,covalent,SING,N7,C3,,,,,7000,bmse000342,1
10,covalent,SING,N7,C5,,,,,7000,bmse000342,1
11,covalent,SING,N7,H16,,,,,7000,bmse000342,1
12,covalent,SING,C2,C1,,,,,7000,bmse000342,1
13,covalent,SING,C2,C4,,,,,7000,bmse000342,1
14,covalent,SING,C2,H14,,,,,7000,bmse000342,1
15,covalent,SING,C1,C3,,,,,7000,bmse000342,1
16,covalent,SING,C1,H12,,,,,7000,bmse000342,1
17,covalent,SING,C1,H13,,,,,7000,bmse000342,1
1,covalent,SING,O11,C8,,,,,7023,bmse000343,1
2,covalent,SING,O11,C1,,,,,7023,bmse000343,1
3,covalent,SING,O10,C7,,,,,7023,bmse000343,1
4,covalent,SING,O10,H19,,,,,7023,bmse000343,1
5,covalent,DOUB,O9,C5,,,,,7023,bmse000343,1
6,covalent,SING,C8,C4,,,,,7023,bmse000343,1
7,covalent,DOUB,C8,C7,,,,,7023,bmse000343,1
8,covalent,DOUB,C6,C4,,,,,7023,bmse000343,1
9,covalent,SING,C6,C2,,,,,7023,bmse000343,1
10,covalent,SING,C6,C5,,,,,7023,bmse000343,1
11,covalent,SING,C4,H17,,,,,7023,bmse000343,1
12,covalent,SING,C7,C3,,,,,7023,bmse000343,1
13,covalent,DOUB,C2,C3,,,,,7023,bmse000343,1
14,covalent,SING,C2,H15,,,,,7023,bmse000343,1
15,covalent,SING,C3,H16,,,,,7023,bmse000343,1
16,covalent,SING,C5,H18,,,,,7023,bmse000343,1
17,covalent,SING,C1,H14,,,,,7023,bmse000343,1
18,covalent,SING,C1,H13,,,,,7023,bmse000343,1
19,covalent,SING,C1,H12,,,,,7023,bmse000343,1
1,covalent,SING,O9,C4,,,,,7046,bmse000344,1
2,covalent,SING,O9,H21,,,,,7046,bmse000344,1
3,covalent,DOUB,O10,C4,,,,,7046,bmse000344,1
4,covalent,SING,N8,C3,,,,,7046,bmse000344,1
5,covalent,DOUB,N8,C5,,,,,7046,bmse000344,1
6,covalent,SING,N6,C5,,,,,7046,bmse000344,1
7,covalent,SING,N6,H17,,,,,7046,bmse000344,1
8,covalent,SING,N6,H18,,,,,7046,bmse000344,1
9,covalent,SING,N7,C5,,,,,7046,bmse000344,1
10,covalent,SING,N7,H19,,,,,7046,bmse000344,1
11,covalent,SING,N7,H20,,,,,7046,bmse000344,1
12,covalent,SING,C1,C2,,,,,7046,bmse000344,1
13,covalent,SING,C1,C3,,,,,7046,bmse000344,1
14,covalent,SING,C1,H11,,,,,7046,bmse000344,1
15,covalent,SING,C1,H12,,,,,7046,bmse000344,1
16,covalent,SING,C2,C4,,,,,7046,bmse000344,1
17,covalent,SING,C2,H13,,,,,7046,bmse000344,1
18,covalent,SING,C2,H14,,,,,7046,bmse000344,1
19,covalent,SING,C3,H15,,,,,7046,bmse000344,1
20,covalent,SING,C3,H16,,,,,7046,bmse000344,1
1,covalent,SING,O6,C5,,,,,7068,bmse000345,1
2,covalent,SING,O6,H17,,,,,7068,bmse000345,1
3,covalent,DOUB,O7,C5,,,,,7068,bmse000345,1
4,covalent,SING,C3,C2,,,,,7068,bmse000345,1
5,covalent,SING,C3,C4,,,,,7068,bmse000345,1
6,covalent,SING,C3,H13,,,,,7068,bmse000345,1
7,covalent,SING,C3,H14,,,,,7068,bmse000345,1
8,covalent,SING,C2,C1,,,,,7068,bmse000345,1
9,covalent,SING,C2,H11,,,,,7068,bmse000345,1
10,covalent,SING,C2,H12,,,,,7068,bmse000345,1
11,covalent,SING,C4,C5,,,,,7068,bmse000345,1
12,covalent,SING,C4,H15,,,,,7068,bmse000345,1
13,covalent,SING,C4,H16,,,,,7068,bmse000345,1
14,covalent,SING,C1,H10,,,,,7068,bmse000345,1
15,covalent,SING,C1,H8,,,,,7068,bmse000345,1
16,covalent,SING,C1,H9,,,,,7068,bmse000345,1
1,covalent,DOUB,O7,C2,,,,,7089,bmse000346,1
2,covalent,DOUB,O8,C3,,,,,7089,bmse000346,1
3,covalent,DOUB,O9,C4,,,,,7089,bmse000346,1
4,covalent,SING,N5,C2,,,,,7089,bmse000346,1
5,covalent,SING,N5,C4,,,,,7089,bmse000346,1
6,covalent,SING,N5,H12,,,,,7089,bmse000346,1
7,covalent,SING,N6,C3,,,,,7089,bmse000346,1
8,covalent,SING,N6,C4,,,,,7089,bmse000346,1
9,covalent,SING,N6,H13,,,,,7089,bmse000346,1
10,covalent,SING,C1,C2,,,,,7089,bmse000346,1
11,covalent,SING,C1,C3,,,,,7089,bmse000346,1
12,covalent,SING,C1,H10,,,,,7089,bmse000346,1
13,covalent,SING,C1,H11,,,,,7089,bmse000346,1
1,covalent,SING,O10,C8,,,,,7110,bmse000347,1
2,covalent,SING,O10,H19,,,,,7110,bmse000347,1
3,covalent,SING,O11,C9,,,,,7110,bmse000347,1
4,covalent,SING,O11,H20,,,,,7110,bmse000347,1
5,covalent,DOUB,O12,C9,,,,,7110,bmse000347,1
6,covalent,SING,C7,C8,,,,,7110,bmse000347,1
7,covalent,DOUB,C7,C3,,,,,7110,bmse000347,1
8,covalent,SING,C7,C5,,,,,7110,bmse000347,1
9,covalent,DOUB,C8,C4,,,,,7110,bmse000347,1
10,covalent,SING,C3,C1,,,,,7110,bmse000347,1
11,covalent,SING,C3,H15,,,,,7110,bmse000347,1
12,covalent,SING,C4,C2,,,,,7110,bmse000347,1
13,covalent,SING,C4,H16,,,,,7110,bmse000347,1
14,covalent,DOUB,C5,C6,,,,,7110,bmse000347,1
15,covalent,SING,C5,H17,,,,,7110,bmse000347,1
16,covalent,DOUB,C1,C2,,,,,7110,bmse000347,1
17,covalent,SING,C1,H13,,,,,7110,bmse000347,1
18,covalent,SING,C2,H14,,,,,7110,bmse000347,1
19,covalent,SING,C6,C9,,,,,7110,bmse000347,1
20,covalent,SING,C6,H18,,,,,7110,bmse000347,1
1,covalent,SING,O6,C4,,,,,7129,bmse000348,1
2,covalent,SING,O6,H16,,,,,7129,bmse000348,1
3,covalent,DOUB,O7,C4,,,,,7129,bmse000348,1
4,covalent,SING,N5,C2,,,,,7129,bmse000348,1
5,covalent,SING,N5,H14,,,,,7129,bmse000348,1
6,covalent,SING,N5,H15,,,,,7129,bmse000348,1
7,covalent,SING,C3,C2,,,,,7129,bmse000348,1
8,covalent,SING,C3,C1,,,,,7129,bmse000348,1
9,covalent,SING,C3,C4,,,,,7129,bmse000348,1
10,covalent,SING,C3,H13,,,,,7129,bmse000348,1
11,covalent,SING,C2,H11,,,,,7129,bmse000348,1
12,covalent,SING,C2,H12,,,,,7129,bmse000348,1
13,covalent,SING,C1,H10,,,,,7129,bmse000348,1
14,covalent,SING,C1,H9,,,,,7129,bmse000348,1
15,covalent,SING,C1,H8,,,,,7129,bmse000348,1
1,covalent,SING,P23,O22,,,,,7144,bmse000349,1
2,covalent,SING,P23,O18,,,,,7144,bmse000349,1
3,covalent,SING,P23,O19,,,,,7144,bmse000349,1
4,covalent,DOUB,P23,O20,,,,,7144,bmse000349,1
5,covalent,SING,O21,C10,,,,,7144,bmse000349,1
6,covalent,SING,O21,C4,,,,,7144,bmse000349,1
7,covalent,SING,C7,O22,,,,,7144,bmse000349,1
8,covalent,SING,C6,O17,,,,,7144,bmse000349,1
9,covalent,SING,O17,H35,,,,,7144,bmse000349,1
10,covalent,SING,O16,C1,,,,,7144,bmse000349,1
11,covalent,SING,O16,H34,,,,,7144,bmse000349,1
12,covalent,SING,O18,H36,,,,,7144,bmse000349,1
13,covalent,SING,O19,H37,,,,,7144,bmse000349,1
14,covalent,SING,C10,N15,,,,,7144,bmse000349,1
15,covalent,SING,N15,C9,,,,,7144,bmse000349,1
16,covalent,SING,N15,C3,,,,,7144,bmse000349,1
17,covalent,DOUB,N14,C3,,,,,7144,bmse000349,1
18,covalent,SING,N14,C5,,,,,7144,bmse000349,1
19,covalent,DOUB,N13,C9,,,,,7144,bmse000349,1
20,covalent,SING,N13,C2,,,,,7144,bmse000349,1
21,covalent,SING,N12,C8,,,,,7144,bmse000349,1
22,covalent,DOUB,N12,C2,,,,,7144,bmse000349,1
23,covalent,SING,N11,C8,,,,,7144,bmse000349,1
24,covalent,SING,N11,H32,,,,,7144,bmse000349,1
25,covalent,SING,N11,H33,,,,,7144,bmse000349,1
26,covalent,SING,C7,C6,,,,,7144,bmse000349,1
27,covalent,SING,C7,C4,,,,,7144,bmse000349,1
28,covalent,SING,C7,H30,,,,,7144,bmse000349,1
29,covalent,SING,C6,C10,,,,,7144,bmse000349,1
30,covalent,SING,C6,H29,,,,,7144,bmse000349,1
31,covalent,SING,C10,H31,,,,,7144,bmse000349,1
32,covalent,SING,C4,C1,,,,,7144,bmse000349,1
33,covalent,SING,C4,H28,,,,,7144,bmse000349,1
34,covalent,SING,C1,H24,,,,,7144,bmse000349,1
35,covalent,SING,C1,H25,,,,,7144,bmse000349,1
36,covalent,SING,C9,C5,,,,,7144,bmse000349,1
37,covalent,SING,C3,H27,,,,,7144,bmse000349,1
38,covalent,DOUB,C5,C8,,,,,7144,bmse000349,1
39,covalent,SING,C2,H26,,,,,7144,bmse000349,1
1,covalent,SING,O8,C7,,,,,7166,bmse000350,1
2,covalent,SING,O8,H16,,,,,7166,bmse000350,1
3,covalent,DOUB,C6,C5,,,,,7166,bmse000350,1
4,covalent,SING,C6,C3,,,,,7166,bmse000350,1
5,covalent,SING,C6,C1,,,,,7166,bmse000350,1
6,covalent,SING,C5,C7,,,,,7166,bmse000350,1
7,covalent,SING,C5,H15,,,,,7166,bmse000350,1
8,covalent,DOUB,C3,C2,,,,,7166,bmse000350,1
9,covalent,SING,C3,H13,,,,,7166,bmse000350,1
10,covalent,DOUB,C7,C4,,,,,7166,bmse000350,1
11,covalent,SING,C1,H9,,,,,7166,bmse000350,1
12,covalent,SING,C1,H10,,,,,7166,bmse000350,1
13,covalent,SING,C1,H11,,,,,7166,bmse000350,1
14,covalent,SING,C2,C4,,,,,7166,bmse000350,1
15,covalent,SING,C2,H12,,,,,7166,bmse000350,1
16,covalent,SING,C4,H14,,,,,7166,bmse000350,1
1,covalent,SING,O7,C6,,,,,7189,bmse000351,1
2,covalent,SING,O7,H20,,,,,7189,bmse000351,1
3,covalent,DOUB,O8,C6,,,,,7189,bmse000351,1
4,covalent,SING,C3,C4,,,,,7189,bmse000351,1
5,covalent,SING,C3,C2,,,,,7189,bmse000351,1
6,covalent,SING,C3,H14,,,,,7189,bmse000351,1
7,covalent,SING,C3,H15,,,,,7189,bmse000351,1
8,covalent,SING,C4,C5,,,,,7189,bmse000351,1
9,covalent,SING,C4,H16,,,,,7189,bmse000351,1
10,covalent,SING,C4,H17,,,,,7189,bmse000351,1
11,covalent,SING,C2,C1,,,,,7189,bmse000351,1
12,covalent,SING,C2,H12,,,,,7189,bmse000351,1
13,covalent,SING,C2,H13,,,,,7189,bmse000351,1
14,covalent,SING,C5,C6,,,,,7189,bmse000351,1
15,covalent,SING,C5,H18,,,,,7189,bmse000351,1
16,covalent,SING,C5,H19,,,,,7189,bmse000351,1
17,covalent,SING,C1,H11,,,,,7189,bmse000351,1
18,covalent,SING,C1,H9,,,,,7189,bmse000351,1
19,covalent,SING,C1,H10,,,,,7189,bmse000351,1
1,covalent,SING,O7,C4,,,,,7210,bmse000352,1
2,covalent,SING,O7,H18,,,,,7210,bmse000352,1
3,covalent,SING,O9,C5,,,,,7210,bmse000352,1
4,covalent,SING,O9,H19,,,,,7210,bmse000352,1
5,covalent,DOUB,O8,C4,,,,,7210,bmse000352,1
6,covalent,DOUB,O10,C5,,,,,7210,bmse000352,1
7,covalent,SING,N6,C3,,,,,7210,bmse000352,1
8,covalent,SING,N6,H16,,,,,7210,bmse000352,1
9,covalent,SING,N6,H17,,,,,7210,bmse000352,1
10,covalent,SING,C2,C3,,,,,7210,bmse000352,1
11,covalent,SING,C2,C1,,,,,7210,bmse000352,1
12,covalent,SING,C2,C4,,,,,7210,bmse000352,1
13,covalent,SING,C2,H14,,,,,7210,bmse000352,1
14,covalent,SING,C3,C5,,,,,7210,bmse000352,1
15,covalent,SING,C3,H15,,,,,7210,bmse000352,1
16,covalent,SING,C1,H11,,,,,7210,bmse000352,1
17,covalent,SING,C1,H12,,,,,7210,bmse000352,1
18,covalent,SING,C1,H13,,,,,7210,bmse000352,1
1,covalent,SING,O12,C8,,,,,7232,bmse000353,1
2,covalent,SING,O12,H29,,,,,7232,bmse000353,1
3,covalent,DOUB,O13,C8,,,,,7232,bmse000353,1
4,covalent,DOUB,O11,C6,,,,,7232,bmse000353,1
5,covalent,SING,N10,C5,,,,,7232,bmse000353,1
6,covalent,SING,N10,C6,,,,,7232,bmse000353,1
7,covalent,SING,N10,H28,,,,,7232,bmse000353,1
8,covalent,SING,C7,N9,,,,,7232,bmse000353,1
9,covalent,SING,N9,H26,,,,,7232,bmse000353,1
10,covalent,SING,N9,H27,,,,,7232,bmse000353,1
11,covalent,SING,C2,C4,,,,,7232,bmse000353,1
12,covalent,SING,C2,C3,,,,,7232,bmse000353,1
13,covalent,SING,C2,H17,,,,,7232,bmse000353,1
14,covalent,SING,C2,H18,,,,,7232,bmse000353,1
15,covalent,SING,C4,C7,,,,,7232,bmse000353,1
16,covalent,SING,C4,H21,,,,,7232,bmse000353,1
17,covalent,SING,C4,H22,,,,,7232,bmse000353,1
18,covalent,SING,C3,C5,,,,,7232,bmse000353,1
19,covalent,SING,C3,H19,,,,,7232,bmse000353,1
20,covalent,SING,C3,H20,,,,,7232,bmse000353,1
21,covalent,SING,C7,C8,,,,,7232,bmse000353,1
22,covalent,SING,C7,H25,,,,,7232,bmse000353,1
23,covalent,SING,C5,H23,,,,,7232,bmse000353,1
24,covalent,SING,C5,H24,,,,,7232,bmse000353,1
25,covalent,SING,C6,C1,,,,,7232,bmse000353,1
26,covalent,SING,C1,H14,,,,,7232,bmse000353,1
27,covalent,SING,C1,H15,,,,,7232,bmse000353,1
28,covalent,SING,C1,H16,,,,,7232,bmse000353,1
1,covalent,SING,O8,C6,,,,,7255,bmse000354,1
2,covalent,SING,O8,H22,,,,,7255,bmse000354,1
3,covalent,SING,O10,C7,,,,,7255,bmse000354,1
4,covalent,SING,O10,H23,,,,,7255,bmse000354,1
5,covalent,DOUB,O9,C6,,,,,7255,bmse000354,1
6,covalent,DOUB,O11,C7,,,,,7255,bmse000354,1
7,covalent,SING,C1,C2,,,,,7255,bmse000354,1
8,covalent,SING,C1,C3,,,,,7255,bmse000354,1
9,covalent,SING,C1,H12,,,,,7255,bmse000354,1
10,covalent,SING,C1,H13,,,,,7255,bmse000354,1
11,covalent,SING,C2,C4,,,,,7255,bmse000354,1
12,covalent,SING,C2,H14,,,,,7255,bmse000354,1
13,covalent,SING,C2,H15,,,,,7255,bmse000354,1
14,covalent,SING,C3,C5,,,,,7255,bmse000354,1
15,covalent,SING,C3,H16,,,,,7255,bmse000354,1
16,covalent,SING,C3,H17,,,,,7255,bmse000354,1
17,covalent,SING,C4,C6,,,,,7255,bmse000354,1
18,covalent,SING,C4,H18,,,,,7255,bmse000354,1
19,covalent,SING,C4,H19,,,,,7255,bmse000354,1
20,covalent,SING,C5,C7,,,,,7255,bmse000354,1
21,covalent,SING,C5,H21,,,,,7255,bmse000354,1
22,covalent,SING,C5,H20,,,,,7255,bmse000354,1
1,covalent,SING,S9,C6,,,,,7276,bmse000355,1
2,covalent,SING,S9,C4,,,,,7276,bmse000355,1
3,covalent,SING,O8,C3,,,,,7276,bmse000355,1
4,covalent,SING,O8,H18,,,,,7276,bmse000355,1
5,covalent,SING,N7,C5,,,,,7276,bmse000355,1
6,covalent,DOUB,N7,C4,,,,,7276,bmse000355,1
7,covalent,SING,C2,C6,,,,,7276,bmse000355,1
8,covalent,SING,C2,C3,,,,,7276,bmse000355,1
9,covalent,SING,C2,H13,,,,,7276,bmse000355,1
10,covalent,SING,C2,H14,,,,,7276,bmse000355,1
11,covalent,DOUB,C6,C5,,,,,7276,bmse000355,1
12,covalent,SING,C5,C1,,,,,7276,bmse000355,1
13,covalent,SING,C3,H15,,,,,7276,bmse000355,1
14,covalent,SING,C3,H16,,,,,7276,bmse000355,1
15,covalent,SING,C1,H10,,,,,7276,bmse000355,1
16,covalent,SING,C1,H11,,,,,7276,bmse000355,1
17,covalent,SING,C1,H12,,,,,7276,bmse000355,1
18,covalent,SING,C4,H17,,,,,7276,bmse000355,1
1,covalent,SING,O11,C7,,,,,7298,bmse000356,1
2,covalent,SING,O11,C1,,,,,7298,bmse000356,1
3,covalent,SING,O9,C8,,,,,7298,bmse000356,1
4,covalent,SING,O9,H19,,,,,7298,bmse000356,1
5,covalent,DOUB,O10,C8,,,,,7298,bmse000356,1
6,covalent,DOUB,C6,C2,,,,,7298,bmse000356,1
7,covalent,SING,C6,C3,,,,,7298,bmse000356,1
8,covalent,SING,C6,C8,,,,,7298,bmse000356,1
9,covalent,DOUB,C7,C4,,,,,7298,bmse000356,1
10,covalent,SING,C7,C5,,,,,7298,bmse000356,1
11,covalent,SING,C2,C4,,,,,7298,bmse000356,1
12,covalent,SING,C2,H15,,,,,7298,bmse000356,1
13,covalent,DOUB,C3,C5,,,,,7298,bmse000356,1
14,covalent,SING,C3,H16,,,,,7298,bmse000356,1
15,covalent,SING,C4,H17,,,,,7298,bmse000356,1
16,covalent,SING,C5,H18,,,,,7298,bmse000356,1
17,covalent,SING,C1,H12,,,,,7298,bmse000356,1
18,covalent,SING,C1,H14,,,,,7298,bmse000356,1
19,covalent,SING,C1,H13,,,,,7298,bmse000356,1
1,covalent,SING,O21,C18,,,,,7317,bmse000357,1
2,covalent,SING,O21,H52,,,,,7317,bmse000357,1
3,covalent,DOUB,O22,C18,,,,,7317,bmse000357,1
4,covalent,SING,C19,C17,,,,,7317,bmse000357,1
5,covalent,SING,C19,C16,,,,,7317,bmse000357,1
6,covalent,SING,C19,C10,,,,,7317,bmse000357,1
7,covalent,SING,C19,C3,,,,,7317,bmse000357,1
8,covalent,SING,C17,C20,,,,,7317,bmse000357,1
9,covalent,SING,C17,C9,,,,,7317,bmse000357,1
10,covalent,SING,C17,H51,,,,,7317,bmse000357,1
11,covalent,SING,C16,C15,,,,,7317,bmse000357,1
12,covalent,SING,C16,C8,,,,,7317,bmse000357,1
13,covalent,SING,C16,H50,,,,,7317,bmse000357,1
14,covalent,SING,C20,C11,,,,,7317,bmse000357,1
15,covalent,SING,C20,C4,,,,,7317,bmse000357,1
16,covalent,SING,C20,C18,,,,,7317,bmse000357,1
17,covalent,SING,C10,C5,,,,,7317,bmse000357,1
18,covalent,SING,C10,H44,,,,,7317,bmse000357,1
19,covalent,SING,C10,H45,,,,,7317,bmse000357,1
20,covalent,SING,C11,C5,,,,,7317,bmse000357,1
21,covalent,SING,C11,H46,,,,,7317,bmse000357,1
22,covalent,SING,C11,H47,,,,,7317,bmse000357,1
23,covalent,SING,C9,C7,,,,,7317,bmse000357,1
24,covalent,SING,C9,H42,,,,,7317,bmse000357,1
25,covalent,SING,C9,H43,,,,,7317,bmse000357,1
26,covalent,SING,C5,H35,,,,,7317,bmse000357,1
27,covalent,SING,C5,H36,,,,,7317,bmse000357,1
28,covalent,DOUB,C15,C7,,,,,7317,bmse000357,1
29,covalent,SING,C15,C12,,,,,7317,bmse000357,1
30,covalent,SING,C3,H29,,,,,7317,bmse000357,1
31,covalent,SING,C3,H31,,,,,7317,bmse000357,1
32,covalent,SING,C3,H30,,,,,7317,bmse000357,1
33,covalent,SING,C8,C6,,,,,7317,bmse000357,1
34,covalent,SING,C8,H40,,,,,7317,bmse000357,1
35,covalent,SING,C8,H41,,,,,7317,bmse000357,1
36,covalent,SING,C7,H39,,,,,7317,bmse000357,1
37,covalent,SING,C4,H34,,,,,7317,bmse000357,1
38,covalent,SING,C4,H33,,,,,7317,bmse000357,1
39,covalent,SING,C4,H32,,,,,7317,bmse000357,1
40,covalent,SING,C6,C14,,,,,7317,bmse000357,1
41,covalent,SING,C6,H37,,,,,7317,bmse000357,1
42,covalent,SING,C6,H38,,,,,7317,bmse000357,1
43,covalent,DOUB,C12,C14,,,,,7317,bmse000357,1
44,covalent,SING,C12,H48,,,,,7317,bmse000357,1
45,covalent,SING,C14,C13,,,,,7317,bmse000357,1
46,covalent,SING,C13,C1,,,,,7317,bmse000357,1
47,covalent,SING,C13,C2,,,,,7317,bmse000357,1
48,covalent,SING,C13,H49,,,,,7317,bmse000357,1
49,covalent,SING,C1,H23,,,,,7317,bmse000357,1
50,covalent,SING,C1,H25,,,,,7317,bmse000357,1
51,covalent,SING,C1,H24,,,,,7317,bmse000357,1
52,covalent,SING,C2,H26,,,,,7317,bmse000357,1
53,covalent,SING,C2,H27,,,,,7317,bmse000357,1
54,covalent,SING,C2,H28,,,,,7317,bmse000357,1
1,covalent,SING,Cl7,C5,,,,,7332,bmse000358,1
2,covalent,SING,O9,C6,,,,,7332,bmse000358,1
3,covalent,SING,O9,H14,,,,,7332,bmse000358,1
4,covalent,SING,O8,C4,,,,,7332,bmse000358,1
5,covalent,SING,O8,H13,,,,,7332,bmse000358,1
6,covalent,DOUB,C6,C5,,,,,7332,bmse000358,1
7,covalent,SING,C6,C2,,,,,7332,bmse000358,1
8,covalent,DOUB,C4,C3,,,,,7332,bmse000358,1
9,covalent,SING,C4,C1,,,,,7332,bmse000358,1
10,covalent,SING,C5,C3,,,,,7332,bmse000358,1
11,covalent,SING,C3,H12,,,,,7332,bmse000358,1
12,covalent,DOUB,C2,C1,,,,,7332,bmse000358,1
13,covalent,SING,C2,H11,,,,,7332,bmse000358,1
14,covalent,SING,C1,H10,,,,,7332,bmse000358,1
1,covalent,SING,C8,O10,,,,,7351,bmse000359,1
2,covalent,SING,O10,H21,,,,,7351,bmse000359,1
3,covalent,SING,O11,C9,,,,,7351,bmse000359,1
4,covalent,SING,O11,H22,,,,,7351,bmse000359,1
5,covalent,DOUB,O12,C9,,,,,7351,bmse000359,1
6,covalent,SING,C6,C8,,,,,7351,bmse000359,1
7,covalent,SING,C6,C7,,,,,7351,bmse000359,1
8,covalent,SING,C6,H18,,,,,7351,bmse000359,1
9,covalent,SING,C6,H19,,,,,7351,bmse000359,1
10,covalent,SING,C8,C9,,,,,7351,bmse000359,1
11,covalent,SING,C8,H20,,,,,7351,bmse000359,1
12,covalent,DOUB,C7,C4,,,,,7351,bmse000359,1
13,covalent,SING,C7,C5,,,,,7351,bmse000359,1
14,covalent,SING,C4,C2,,,,,7351,bmse000359,1
15,covalent,SING,C4,H16,,,,,7351,bmse000359,1
16,covalent,DOUB,C5,C3,,,,,7351,bmse000359,1
17,covalent,SING,C5,H17,,,,,7351,bmse000359,1
18,covalent,DOUB,C2,C1,,,,,7351,bmse000359,1
19,covalent,SING,C2,H14,,,,,7351,bmse000359,1
20,covalent,SING,C3,C1,,,,,7351,bmse000359,1
21,covalent,SING,C3,H15,,,,,7351,bmse000359,1
22,covalent,SING,C1,H13,,,,,7351,bmse000359,1
1,covalent,SING,Cl3,C1,,,,,7366,bmse000360,1
2,covalent,SING,O4,C2,,,,,7366,bmse000360,1
3,covalent,SING,O4,H9,,,,,7366,bmse000360,1
4,covalent,SING,C2,C1,,,,,7366,bmse000360,1
5,covalent,SING,C2,H7,,,,,7366,bmse000360,1
6,covalent,SING,C2,H8,,,,,7366,bmse000360,1
7,covalent,SING,C1,H5,,,,,7366,bmse000360,1
8,covalent,SING,C1,H6,,,,,7366,bmse000360,1
1,covalent,SING,C3,O5,,,,,7387,bmse000361,1
2,covalent,SING,O5,H14,,,,,7387,bmse000361,1
3,covalent,SING,O6,C4,,,,,7387,bmse000361,1
4,covalent,SING,O6,H15,,,,,7387,bmse000361,1
5,covalent,DOUB,O7,C4,,,,,7387,bmse000361,1
6,covalent,SING,C2,C3,,,,,7387,bmse000361,1
7,covalent,SING,C2,C1,,,,,7387,bmse000361,1
8,covalent,SING,C2,H11,,,,,7387,bmse000361,1
9,covalent,SING,C2,H12,,,,,7387,bmse000361,1
10,covalent,SING,C3,C4,,,,,7387,bmse000361,1
11,covalent,SING,C3,H13,,,,,7387,bmse000361,1
12,covalent,SING,C1,H8,,,,,7387,bmse000361,1
13,covalent,SING,C1,H9,,,,,7387,bmse000361,1
14,covalent,SING,C1,H10,,,,,7387,bmse000361,1
1,covalent,SING,O5,C4,,,,,7409,bmse000362,1
2,covalent,SING,O5,H11,,,,,7409,bmse000362,1
3,covalent,SING,C3,C4,,,,,7409,bmse000362,1
4,covalent,SING,C3,C2,,,,,7409,bmse000362,1
5,covalent,SING,C3,H7,,,,,7409,bmse000362,1
6,covalent,SING,C3,H8,,,,,7409,bmse000362,1
7,covalent,SING,C4,H9,,,,,7409,bmse000362,1
8,covalent,SING,C4,H10,,,,,7409,bmse000362,1
9,covalent,TRIP,C2,C1,,,,,7409,bmse000362,1
10,covalent,SING,C1,H6,,,,,7409,bmse000362,1
1,covalent,SING,O4,C3,,,,,7430,bmse000363,1
2,covalent,SING,O4,H8,,,,,7430,bmse000363,1
3,covalent,SING,C3,C2,,,,,7430,bmse000363,1
4,covalent,SING,C3,H6,,,,,7430,bmse000363,1
5,covalent,SING,C3,H7,,,,,7430,bmse000363,1
6,covalent,TRIP,C2,C1,,,,,7430,bmse000363,1
7,covalent,SING,C1,H5,,,,,7430,bmse000363,1
1,covalent,SING,O12,C7,,,,,7451,bmse000364,1
2,covalent,SING,O12,H22,,,,,7451,bmse000364,1
3,covalent,SING,O13,C10,,,,,7451,bmse000364,1
4,covalent,SING,O13,H23,,,,,7451,bmse000364,1
5,covalent,DOUB,O14,C10,,,,,7451,bmse000364,1
6,covalent,SING,N11,C9,,,,,7451,bmse000364,1
7,covalent,SING,N11,C5,,,,,7451,bmse000364,1
8,covalent,SING,N11,H21,,,,,7451,bmse000364,1
9,covalent,SING,C8,C6,,,,,7451,bmse000364,1
10,covalent,DOUB,C8,C9,,,,,7451,bmse000364,1
11,covalent,SING,C8,C4,,,,,7451,bmse000364,1
12,covalent,DOUB,C6,C5,,,,,7451,bmse000364,1
13,covalent,SING,C6,C3,,,,,7451,bmse000364,1
14,covalent,SING,C9,C2,,,,,7451,bmse000364,1
15,covalent,SING,C5,H20,,,,,7451,bmse000364,1
16,covalent,SING,C3,C10,,,,,7451,bmse000364,1
17,covalent,SING,C3,H17,,,,,7451,bmse000364,1
18,covalent,SING,C3,H18,,,,,7451,bmse000364,1
19,covalent,DOUB,C4,C7,,,,,7451,bmse000364,1
20,covalent,SING,C4,H19,,,,,7451,bmse000364,1
21,covalent,DOUB,C2,C1,,,,,7451,bmse000364,1
22,covalent,SING,C2,H16,,,,,7451,bmse000364,1
23,covalent,SING,C7,C1,,,,,7451,bmse000364,1
24,covalent,SING,C1,H15,,,,,7451,bmse000364,1
1,covalent,SING,O19,C8,,,,,7474,bmse000365,1
2,covalent,SING,O19,C12,,,,,7474,bmse000365,1
3,covalent,SING,C10,O16,,,,,7474,bmse000365,1
4,covalent,SING,O16,H34,,,,,7474,bmse000365,1
5,covalent,SING,C9,O15,,,,,7474,bmse000365,1
6,covalent,SING,O15,H33,,,,,7474,bmse000365,1
7,covalent,SING,C12,O18,,,,,7474,bmse000365,1
8,covalent,SING,O18,C7,,,,,7474,bmse000365,1
9,covalent,SING,C11,O17,,,,,7474,bmse000365,1
10,covalent,SING,O17,H35,,,,,7474,bmse000365,1
11,covalent,SING,O13,C5,,,,,7474,bmse000365,1
12,covalent,SING,O13,H31,,,,,7474,bmse000365,1
13,covalent,SING,O14,C6,,,,,7474,bmse000365,1
14,covalent,SING,O14,H32,,,,,7474,bmse000365,1
15,covalent,SING,C10,C9,,,,,7474,bmse000365,1
16,covalent,SING,C10,C11,,,,,7474,bmse000365,1
17,covalent,SING,C10,H28,,,,,7474,bmse000365,1
18,covalent,SING,C9,C8,,,,,7474,bmse000365,1
19,covalent,SING,C9,H27,,,,,7474,bmse000365,1
20,covalent,SING,C11,C12,,,,,7474,bmse000365,1
21,covalent,SING,C11,H29,,,,,7474,bmse000365,1
22,covalent,SING,C8,C5,,,,,7474,bmse000365,1
23,covalent,SING,C8,H26,,,,,7474,bmse000365,1
24,covalent,SING,C12,H30,,,,,7474,bmse000365,1
25,covalent,SING,C5,H24,,,,,7474,bmse000365,1
26,covalent,SING,C5,H25,,,,,7474,bmse000365,1
27,covalent,DOUB,C7,C3,,,,,7474,bmse000365,1
28,covalent,SING,C7,C4,,,,,7474,bmse000365,1
29,covalent,SING,C3,C1,,,,,7474,bmse000365,1
30,covalent,SING,C3,H22,,,,,7474,bmse000365,1
31,covalent,DOUB,C4,C2,,,,,7474,bmse000365,1
32,covalent,SING,C4,H23,,,,,7474,bmse000365,1
33,covalent,DOUB,C1,C6,,,,,7474,bmse000365,1
34,covalent,SING,C1,H20,,,,,7474,bmse000365,1
35,covalent,SING,C2,C6,,,,,7474,bmse000365,1
36,covalent,SING,C2,H21,,,,,7474,bmse000365,1
1,covalent,SING,C39,C29,,,,,7493,bmse000366,1
2,covalent,SING,C39,C37,,,,,7493,bmse000366,1
3,covalent,SING,C39,C7,,,,,7493,bmse000366,1
4,covalent,SING,C39,C8,,,,,7493,bmse000366,1
5,covalent,SING,C40,C30,,,,,7493,bmse000366,1
6,covalent,SING,C40,C38,,,,,7493,bmse000366,1
7,covalent,SING,C40,C9,,,,,7493,bmse000366,1
8,covalent,SING,C40,C10,,,,,7493,bmse000366,1
9,covalent,SING,C29,C15,,,,,7493,bmse000366,1
10,covalent,SING,C29,H93,,,,,7493,bmse000366,1
11,covalent,SING,C29,H94,,,,,7493,bmse000366,1
12,covalent,SING,C30,C16,,,,,7493,bmse000366,1
13,covalent,SING,C30,H95,,,,,7493,bmse000366,1
14,covalent,SING,C30,H96,,,,,7493,bmse000366,1
15,covalent,SING,C15,C23,,,,,7493,bmse000366,1
16,covalent,SING,C15,H75,,,,,7493,bmse000366,1
17,covalent,SING,C15,H76,,,,,7493,bmse000366,1
18,covalent,SING,C16,C24,,,,,7493,bmse000366,1
19,covalent,SING,C16,H77,,,,,7493,bmse000366,1
20,covalent,SING,C16,H78,,,,,7493,bmse000366,1
21,covalent,DOUB,C37,C35,,,,,7493,bmse000366,1
22,covalent,SING,C37,C27,,,,,7493,bmse000366,1
23,covalent,DOUB,C38,C36,,,,,7493,bmse000366,1
24,covalent,SING,C38,C28,,,,,7493,bmse000366,1
25,covalent,SING,C23,C35,,,,,7493,bmse000366,1
26,covalent,SING,C23,H85,,,,,7493,bmse000366,1
27,covalent,SING,C23,H86,,,,,7493,bmse000366,1
28,covalent,SING,C24,C36,,,,,7493,bmse000366,1
29,covalent,SING,C24,H87,,,,,7493,bmse000366,1
30,covalent,SING,C24,H88,,,,,7493,bmse000366,1
31,covalent,SING,C35,C5,,,,,7493,bmse000366,1
32,covalent,SING,C36,C6,,,,,7493,bmse000366,1
33,covalent,SING,C7,H59,,,,,7493,bmse000366,1
34,covalent,SING,C7,H61,,,,,7493,bmse000366,1
35,covalent,SING,C7,H60,,,,,7493,bmse000366,1
36,covalent,SING,C8,H62,,,,,7493,bmse000366,1
37,covalent,SING,C8,H64,,,,,7493,bmse000366,1
38,covalent,SING,C8,H63,,,,,7493,bmse000366,1
39,covalent,SING,C9,H65,,,,,7493,bmse000366,1
40,covalent,SING,C9,H67,,,,,7493,bmse000366,1
41,covalent,SING,C9,H66,,,,,7493,bmse000366,1
42,covalent,SING,C10,H70,,,,,7493,bmse000366,1
43,covalent,SING,C10,H68,,,,,7493,bmse000366,1
44,covalent,SING,C10,H69,,,,,7493,bmse000366,1
45,covalent,DOUB,C27,C25,,,,,7493,bmse000366,1
46,covalent,SING,C27,H91,,,,,7493,bmse000366,1
47,covalent,DOUB,C28,C26,,,,,7493,bmse000366,1
48,covalent,SING,C28,H92,,,,,7493,bmse000366,1
49,covalent,SING,C5,H53,,,,,7493,bmse000366,1
50,covalent,SING,C5,H54,,,,,7493,bmse000366,1
51,covalent,SING,C5,H55,,,,,7493,bmse000366,1
52,covalent,SING,C6,H57,,,,,7493,bmse000366,1
53,covalent,SING,C6,H58,,,,,7493,bmse000366,1
54,covalent,SING,C6,H56,,,,,7493,bmse000366,1
55,covalent,SING,C25,C33,,,,,7493,bmse000366,1
56,covalent,SING,C25,H89,,,,,7493,bmse000366,1
57,covalent,SING,C26,C34,,,,,7493,bmse000366,1
58,covalent,SING,C26,H90,,,,,7493,bmse000366,1
59,covalent,SING,C33,C3,,,,,7493,bmse000366,1
60,covalent,DOUB,C33,C21,,,,,7493,bmse000366,1
61,covalent,SING,C34,C4,,,,,7493,bmse000366,1
62,covalent,DOUB,C34,C22,,,,,7493,bmse000366,1
63,covalent,SING,C3,H47,,,,,7493,bmse000366,1
64,covalent,SING,C3,H48,,,,,7493,bmse000366,1
65,covalent,SING,C3,H49,,,,,7493,bmse000366,1
66,covalent,SING,C4,H51,,,,,7493,bmse000366,1
67,covalent,SING,C4,H52,,,,,7493,bmse000366,1
68,covalent,SING,C4,H50,,,,,7493,bmse000366,1
69,covalent,SING,C21,C13,,,,,7493,bmse000366,1
70,covalent,SING,C21,H83,,,,,7493,bmse000366,1
71,covalent,SING,C22,C14,,,,,7493,bmse000366,1
72,covalent,SING,C22,H84,,,,,7493,bmse000366,1
73,covalent,DOUB,C13,C19,,,,,7493,bmse000366,1
74,covalent,SING,C13,H73,,,,,7493,bmse000366,1
75,covalent,DOUB,C14,C20,,,,,7493,bmse000366,1
76,covalent,SING,C14,H74,,,,,7493,bmse000366,1
77,covalent,SING,C19,C31,,,,,7493,bmse000366,1
78,covalent,SING,C19,H81,,,,,7493,bmse000366,1
79,covalent,SING,C20,C32,,,,,7493,bmse000366,1
80,covalent,SING,C20,H82,,,,,7493,bmse000366,1
81,covalent,SING,C31,C1,,,,,7493,bmse000366,1
82,covalent,DOUB,C31,C17,,,,,7493,bmse000366,1
83,covalent,SING,C32,C2,,,,,7493,bmse000366,1
84,covalent,DOUB,C32,C18,,,,,7493,bmse000366,1
85,covalent,SING,C1,H42,,,,,7493,bmse000366,1
86,covalent,SING,C1,H43,,,,,7493,bmse000366,1
87,covalent,SING,C1,H41,,,,,7493,bmse000366,1
88,covalent,SING,C2,H45,,,,,7493,bmse000366,1
89,covalent,SING,C2,H46,,,,,7493,bmse000366,1
90,covalent,SING,C2,H44,,,,,7493,bmse000366,1
91,covalent,SING,C17,C11,,,,,7493,bmse000366,1
92,covalent,SING,C17,H79,,,,,7493,bmse000366,1
93,covalent,SING,C18,C12,,,,,7493,bmse000366,1
94,covalent,SING,C18,H80,,,,,7493,bmse000366,1
95,covalent,DOUB,C11,C12,,,,,7493,bmse000366,1
96,covalent,SING,C11,H71,,,,,7493,bmse000366,1
97,covalent,SING,C12,H72,,,,,7493,bmse000366,1
1,covalent,SING,Cl3,C1,,,,,7508,bmse000367,1
2,covalent,SING,O4,C2,,,,,7508,bmse000367,1
3,covalent,SING,O4,H8,,,,,7508,bmse000367,1
4,covalent,DOUB,O5,C2,,,,,7508,bmse000367,1
5,covalent,SING,C1,C2,,,,,7508,bmse000367,1
6,covalent,SING,C1,H6,,,,,7508,bmse000367,1
7,covalent,SING,C1,H7,,,,,7508,bmse000367,1
1,covalent,SING,Cl4,C2,,,,,7529,bmse000368,1
2,covalent,SING,O5,C3,,,,,7529,bmse000368,1
3,covalent,SING,O5,H9,,,,,7529,bmse000368,1
4,covalent,DOUB,O6,C3,,,,,7529,bmse000368,1
5,covalent,SING,C1,C3,,,,,7529,bmse000368,1
6,covalent,DOUB,C1,C2,,,,,7529,bmse000368,1
7,covalent,SING,C1,H7,,,,,7529,bmse000368,1
8,covalent,SING,C2,H8,,,,,7529,bmse000368,1
1,covalent,SING,O7,C6,,,,,7551,bmse000369,1
2,covalent,SING,O7,H19,,,,,7551,bmse000369,1
3,covalent,SING,C5,C4,,,,,7551,bmse000369,1
4,covalent,SING,C5,C6,,,,,7551,bmse000369,1
5,covalent,SING,C5,H15,,,,,7551,bmse000369,1
6,covalent,SING,C5,H16,,,,,7551,bmse000369,1
7,covalent,SING,C2,C3,,,,,7551,bmse000369,1
8,covalent,SING,C2,C1,,,,,7551,bmse000369,1
9,covalent,SING,C2,H11,,,,,7551,bmse000369,1
10,covalent,SING,C2,H12,,,,,7551,bmse000369,1
11,covalent,DOUB,C4,C3,,,,,7551,bmse000369,1
12,covalent,SING,C4,H14,,,,,7551,bmse000369,1
13,covalent,SING,C3,H13,,,,,7551,bmse000369,1
14,covalent,SING,C6,H17,,,,,7551,bmse000369,1
15,covalent,SING,C6,H18,,,,,7551,bmse000369,1
16,covalent,SING,C1,H10,,,,,7551,bmse000369,1
17,covalent,SING,C1,H9,,,,,7551,bmse000369,1
18,covalent,SING,C1,H8,,,,,7551,bmse000369,1
1,covalent,SING,O11,C10,,,,,7573,bmse000370,1
2,covalent,SING,O11,H32,,,,,7573,bmse000370,1
3,covalent,DOUB,O12,C10,,,,,7573,bmse000370,1
4,covalent,SING,C5,C6,,,,,7573,bmse000370,1
5,covalent,SING,C5,C4,,,,,7573,bmse000370,1
6,covalent,SING,C5,H22,,,,,7573,bmse000370,1
7,covalent,SING,C5,H23,,,,,7573,bmse000370,1
8,covalent,SING,C6,C7,,,,,7573,bmse000370,1
9,covalent,SING,C6,H24,,,,,7573,bmse000370,1
10,covalent,SING,C6,H25,,,,,7573,bmse000370,1
11,covalent,SING,C4,C3,,,,,7573,bmse000370,1
12,covalent,SING,C4,H20,,,,,7573,bmse000370,1
13,covalent,SING,C4,H21,,,,,7573,bmse000370,1
14,covalent,SING,C7,C8,,,,,7573,bmse000370,1
15,covalent,SING,C7,H26,,,,,7573,bmse000370,1
16,covalent,SING,C7,H27,,,,,7573,bmse000370,1
17,covalent,SING,C3,C2,,,,,7573,bmse000370,1
18,covalent,SING,C3,H18,,,,,7573,bmse000370,1
19,covalent,SING,C3,H19,,,,,7573,bmse000370,1
20,covalent,SING,C8,C9,,,,,7573,bmse000370,1
21,covalent,SING,C8,H28,,,,,7573,bmse000370,1
22,covalent,SING,C8,H29,,,,,7573,bmse000370,1
23,covalent,SING,C2,C1,,,,,7573,bmse000370,1
24,covalent,SING,C2,H16,,,,,7573,bmse000370,1
25,covalent,SING,C2,H17,,,,,7573,bmse000370,1
26,covalent,SING,C9,C10,,,,,7573,bmse000370,1
27,covalent,SING,C9,H30,,,,,7573,bmse000370,1
28,covalent,SING,C9,H31,,,,,7573,bmse000370,1
29,covalent,SING,C1,H15,,,,,7573,bmse000370,1
30,covalent,SING,C1,H13,,,,,7573,bmse000370,1
31,covalent,SING,C1,H14,,,,,7573,bmse000370,1
1,covalent,SING,O6,C3,,,,,7594,bmse000371,1
2,covalent,SING,O6,H17,,,,,7594,bmse000371,1
3,covalent,SING,O7,C4,,,,,7594,bmse000371,1
4,covalent,SING,O7,H18,,,,,7594,bmse000371,1
5,covalent,SING,N5,C1,,,,,7594,bmse000371,1
6,covalent,SING,N5,C2,,,,,7594,bmse000371,1
7,covalent,SING,N5,H16,,,,,7594,bmse000371,1
8,covalent,SING,C1,C3,,,,,7594,bmse000371,1
9,covalent,SING,C1,H8,,,,,7594,bmse000371,1
10,covalent,SING,C1,H9,,,,,7594,bmse000371,1
11,covalent,SING,C2,C4,,,,,7594,bmse000371,1
12,covalent,SING,C2,H10,,,,,7594,bmse000371,1
13,covalent,SING,C2,H11,,,,,7594,bmse000371,1
14,covalent,SING,C3,H12,,,,,7594,bmse000371,1
15,covalent,SING,C3,H13,,,,,7594,bmse000371,1
16,covalent,SING,C4,H14,,,,,7594,bmse000371,1
17,covalent,SING,C4,H15,,,,,7594,bmse000371,1
1,covalent,DOUB,O8,C6,,,,,7615,bmse000372,1
2,covalent,SING,N7,C5,,,,,7615,bmse000372,1
3,covalent,SING,N7,C6,,,,,7615,bmse000372,1
4,covalent,SING,N7,H19,,,,,7615,bmse000372,1
5,covalent,SING,C1,C3,,,,,7615,bmse000372,1
6,covalent,SING,C1,C2,,,,,7615,bmse000372,1
7,covalent,SING,C1,H9,,,,,7615,bmse000372,1
8,covalent,SING,C1,H10,,,,,7615,bmse000372,1
9,covalent,SING,C3,C5,,,,,7615,bmse000372,1
10,covalent,SING,C3,H13,,,,,7615,bmse000372,1
11,covalent,SING,C3,H14,,,,,7615,bmse000372,1
12,covalent,SING,C2,C4,,,,,7615,bmse000372,1
13,covalent,SING,C2,H11,,,,,7615,bmse000372,1
14,covalent,SING,C2,H12,,,,,7615,bmse000372,1
15,covalent,SING,C5,H17,,,,,7615,bmse000372,1
16,covalent,SING,C5,H18,,,,,7615,bmse000372,1
17,covalent,SING,C4,C6,,,,,7615,bmse000372,1
18,covalent,SING,C4,H15,,,,,7615,bmse000372,1
19,covalent,SING,C4,H16,,,,,7615,bmse000372,1
1,covalent,SING,O6,C5,,,,,7636,bmse000373,1
2,covalent,SING,O6,H17,,,,,7636,bmse000373,1
3,covalent,DOUB,O7,C5,,,,,7636,bmse000373,1
4,covalent,SING,C4,C3,,,,,7636,bmse000373,1
5,covalent,SING,C4,C1,,,,,7636,bmse000373,1
6,covalent,SING,C4,C2,,,,,7636,bmse000373,1
7,covalent,SING,C4,H16,,,,,7636,bmse000373,1
8,covalent,SING,C3,C5,,,,,7636,bmse000373,1
9,covalent,SING,C3,H14,,,,,7636,bmse000373,1
10,covalent,SING,C3,H15,,,,,7636,bmse000373,1
11,covalent,SING,C1,H8,,,,,7636,bmse000373,1
12,covalent,SING,C1,H10,,,,,7636,bmse000373,1
13,covalent,SING,C1,H9,,,,,7636,bmse000373,1
14,covalent,SING,C2,H11,,,,,7636,bmse000373,1
15,covalent,SING,C2,H12,,,,,7636,bmse000373,1
16,covalent,SING,C2,H13,,,,,7636,bmse000373,1
1,covalent,SING,C26,O31,,,,,7656,bmse000374,1
2,covalent,SING,O31,H81,,,,,7656,bmse000374,1
3,covalent,SING,C29,C30,,,,,7656,bmse000374,1
4,covalent,SING,C29,C22,,,,,7656,bmse000374,1
5,covalent,SING,C29,C19,,,,,7656,bmse000374,1
6,covalent,SING,C29,C7,,,,,7656,bmse000374,1
7,covalent,SING,C30,C24,,,,,7656,bmse000374,1
8,covalent,SING,C30,C18,,,,,7656,bmse000374,1
9,covalent,SING,C30,C8,,,,,7656,bmse000374,1
10,covalent,SING,C22,C14,,,,,7656,bmse000374,1
11,covalent,SING,C22,C21,,,,,7656,bmse000374,1
12,covalent,SING,C22,H78,,,,,7656,bmse000374,1
13,covalent,SING,C28,C25,,,,,7656,bmse000374,1
14,covalent,SING,C28,C23,,,,,7656,bmse000374,1
15,covalent,SING,C28,C17,,,,,7656,bmse000374,1
16,covalent,SING,C28,C6,,,,,7656,bmse000374,1
17,covalent,DOUB,C24,C23,,,,,7656,bmse000374,1
18,covalent,SING,C24,C12,,,,,7656,bmse000374,1
19,covalent,SING,C25,C27,,,,,7656,bmse000374,1
20,covalent,SING,C25,C13,,,,,7656,bmse000374,1
21,covalent,SING,C25,H79,,,,,7656,bmse000374,1
22,covalent,SING,C23,C15,,,,,7656,bmse000374,1
23,covalent,SING,C18,C14,,,,,7656,bmse000374,1
24,covalent,SING,C18,H73,,,,,7656,bmse000374,1
25,covalent,SING,C18,H74,,,,,7656,bmse000374,1
26,covalent,SING,C19,C15,,,,,7656,bmse000374,1
27,covalent,SING,C19,H75,,,,,7656,bmse000374,1
28,covalent,SING,C19,H76,,,,,7656,bmse000374,1
29,covalent,SING,C14,H65,,,,,7656,bmse000374,1
30,covalent,SING,C14,H66,,,,,7656,bmse000374,1
31,covalent,SING,C15,H67,,,,,7656,bmse000374,1
32,covalent,SING,C15,H68,,,,,7656,bmse000374,1
33,covalent,SING,C27,C26,,,,,7656,bmse000374,1
34,covalent,SING,C27,C4,,,,,7656,bmse000374,1
35,covalent,SING,C27,C5,,,,,7656,bmse000374,1
36,covalent,SING,C12,C13,,,,,7656,bmse000374,1
37,covalent,SING,C12,H61,,,,,7656,bmse000374,1
38,covalent,SING,C12,H62,,,,,7656,bmse000374,1
39,covalent,SING,C13,H63,,,,,7656,bmse000374,1
40,covalent,SING,C13,H64,,,,,7656,bmse000374,1
41,covalent,SING,C17,C16,,,,,7656,bmse000374,1
42,covalent,SING,C17,H71,,,,,7656,bmse000374,1
43,covalent,SING,C17,H72,,,,,7656,bmse000374,1
44,covalent,SING,C21,C11,,,,,7656,bmse000374,1
45,covalent,SING,C21,C3,,,,,7656,bmse000374,1
46,covalent,SING,C21,H77,,,,,7656,bmse000374,1
47,covalent,SING,C7,H51,,,,,7656,bmse000374,1
48,covalent,SING,C7,H52,,,,,7656,bmse000374,1
49,covalent,SING,C7,H50,,,,,7656,bmse000374,1
50,covalent,SING,C8,H54,,,,,7656,bmse000374,1
51,covalent,SING,C8,H55,,,,,7656,bmse000374,1
52,covalent,SING,C8,H53,,,,,7656,bmse000374,1
53,covalent,SING,C26,C16,,,,,7656,bmse000374,1
54,covalent,SING,C26,H80,,,,,7656,bmse000374,1
55,covalent,SING,C16,H69,,,,,7656,bmse000374,1
56,covalent,SING,C16,H70,,,,,7656,bmse000374,1
57,covalent,SING,C6,H48,,,,,7656,bmse000374,1
58,covalent,SING,C6,H49,,,,,7656,bmse000374,1
59,covalent,SING,C6,H47,,,,,7656,bmse000374,1
60,covalent,SING,C4,H41,,,,,7656,bmse000374,1
61,covalent,SING,C4,H43,,,,,7656,bmse000374,1
62,covalent,SING,C4,H42,,,,,7656,bmse000374,1
63,covalent,SING,C5,H46,,,,,7656,bmse000374,1
64,covalent,SING,C5,H45,,,,,7656,bmse000374,1
65,covalent,SING,C5,H44,,,,,7656,bmse000374,1
66,covalent,SING,C11,C9,,,,,7656,bmse000374,1
67,covalent,SING,C11,H59,,,,,7656,bmse000374,1
68,covalent,SING,C11,H60,,,,,7656,bmse000374,1
69,covalent,SING,C3,H39,,,,,7656,bmse000374,1
70,covalent,SING,C3,H40,,,,,7656,bmse000374,1
71,covalent,SING,C3,H38,,,,,7656,bmse000374,1
72,covalent,SING,C9,C10,,,,,7656,bmse000374,1
73,covalent,SING,C9,H56,,,,,7656,bmse000374,1
74,covalent,SING,C9,H57,,,,,7656,bmse000374,1
75,covalent,DOUB,C10,C20,,,,,7656,bmse000374,1
76,covalent,SING,C10,H58,,,,,7656,bmse000374,1
77,covalent,SING,C20,C1,,,,,7656,bmse000374,1
78,covalent,SING,C20,C2,,,,,7656,bmse000374,1
79,covalent,SING,C1,H34,,,,,7656,bmse000374,1
80,covalent,SING,C1,H32,,,,,7656,bmse000374,1
81,covalent,SING,C1,H33,,,,,7656,bmse000374,1
82,covalent,SING,C2,H37,,,,,7656,bmse000374,1
83,covalent,SING,C2,H36,,,,,7656,bmse000374,1
84,covalent,SING,C2,H35,,,,,7656,bmse000374,1
1,covalent,DOUB,O11,C10,,,,,7671,bmse000375,1
2,covalent,SING,C9,C5,,,,,7671,bmse000375,1
3,covalent,SING,C9,C7,,,,,7671,bmse000375,1
4,covalent,SING,C9,C10,,,,,7671,bmse000375,1
5,covalent,SING,C9,H29,,,,,7671,bmse000375,1
6,covalent,SING,C5,C4,,,,,7671,bmse000375,1
7,covalent,SING,C5,H23,,,,,7671,bmse000375,1
8,covalent,SING,C5,H24,,,,,7671,bmse000375,1
9,covalent,SING,C8,C4,,,,,7671,bmse000375,1
10,covalent,SING,C8,C6,,,,,7671,bmse000375,1
11,covalent,SING,C8,C3,,,,,7671,bmse000375,1
12,covalent,SING,C8,H28,,,,,7671,bmse000375,1
13,covalent,SING,C4,H21,,,,,7671,bmse000375,1
14,covalent,SING,C4,H22,,,,,7671,bmse000375,1
15,covalent,SING,C7,C1,,,,,7671,bmse000375,1
16,covalent,SING,C7,C2,,,,,7671,bmse000375,1
17,covalent,SING,C7,H27,,,,,7671,bmse000375,1
18,covalent,SING,C6,C10,,,,,7671,bmse000375,1
19,covalent,SING,C6,H25,,,,,7671,bmse000375,1
20,covalent,SING,C6,H26,,,,,7671,bmse000375,1
21,covalent,SING,C3,H19,,,,,7671,bmse000375,1
22,covalent,SING,C3,H20,,,,,7671,bmse000375,1
23,covalent,SING,C3,H18,,,,,7671,bmse000375,1
24,covalent,SING,C1,H12,,,,,7671,bmse000375,1
25,covalent,SING,C1,H14,,,,,7671,bmse000375,1
26,covalent,SING,C1,H13,,,,,7671,bmse000375,1
27,covalent,SING,C2,H17,,,,,7671,bmse000375,1
28,covalent,SING,C2,H16,,,,,7671,bmse000375,1
29,covalent,SING,C2,H15,,,,,7671,bmse000375,1
1,covalent,SING,O11,C5,,,,,7693,bmse000376,1
2,covalent,SING,O11,H23,,,,,7693,bmse000376,1
3,covalent,DOUB,O12,C5,,,,,7693,bmse000376,1
4,covalent,SING,O9,C4,,,,,7693,bmse000376,1
5,covalent,SING,O9,H22,,,,,7693,bmse000376,1
6,covalent,DOUB,O10,C4,,,,,7693,bmse000376,1
7,covalent,DOUB,O13,C6,,,,,7693,bmse000376,1
8,covalent,SING,N8,C3,,,,,7693,bmse000376,1
9,covalent,SING,N8,C6,,,,,7693,bmse000376,1
10,covalent,SING,N8,H21,,,,,7693,bmse000376,1
11,covalent,SING,N7,C6,,,,,7693,bmse000376,1
12,covalent,SING,N7,H19,,,,,7693,bmse000376,1
13,covalent,SING,N7,H20,,,,,7693,bmse000376,1
14,covalent,SING,C3,C1,,,,,7693,bmse000376,1
15,covalent,SING,C3,C5,,,,,7693,bmse000376,1
16,covalent,SING,C3,H18,,,,,7693,bmse000376,1
17,covalent,SING,C1,C2,,,,,7693,bmse000376,1
18,covalent,SING,C1,H14,,,,,7693,bmse000376,1
19,covalent,SING,C1,H15,,,,,7693,bmse000376,1
20,covalent,SING,C2,C4,,,,,7693,bmse000376,1
21,covalent,SING,C2,H16,,,,,7693,bmse000376,1
22,covalent,SING,C2,H17,,,,,7693,bmse000376,1
1,covalent,SING,N9,C7,,,,,7715,bmse000377,1
2,covalent,SING,N9,H19,,,,,7715,bmse000377,1
3,covalent,SING,N9,H20,,,,,7715,bmse000377,1
4,covalent,SING,C6,C8,,,,,7715,bmse000377,1
5,covalent,SING,C6,C7,,,,,7715,bmse000377,1
6,covalent,SING,C6,H15,,,,,7715,bmse000377,1
7,covalent,SING,C6,H16,,,,,7715,bmse000377,1
8,covalent,DOUB,C8,C4,,,,,7715,bmse000377,1
9,covalent,SING,C8,C5,,,,,7715,bmse000377,1
10,covalent,SING,C7,H17,,,,,7715,bmse000377,1
11,covalent,SING,C7,H18,,,,,7715,bmse000377,1
12,covalent,SING,C4,C2,,,,,7715,bmse000377,1
13,covalent,SING,C4,H13,,,,,7715,bmse000377,1
14,covalent,DOUB,C5,C3,,,,,7715,bmse000377,1
15,covalent,SING,C5,H14,,,,,7715,bmse000377,1
16,covalent,DOUB,C2,C1,,,,,7715,bmse000377,1
17,covalent,SING,C2,H11,,,,,7715,bmse000377,1
18,covalent,SING,C3,C1,,,,,7715,bmse000377,1
19,covalent,SING,C3,H12,,,,,7715,bmse000377,1
20,covalent,SING,C1,H10,,,,,7715,bmse000377,1
1,covalent,SING,O9,C7,,,,,7737,bmse000378,1
2,covalent,SING,O9,H25,,,,,7737,bmse000378,1
3,covalent,SING,O11,C8,,,,,7737,bmse000378,1
4,covalent,SING,O11,H26,,,,,7737,bmse000378,1
5,covalent,DOUB,O10,C7,,,,,7737,bmse000378,1
6,covalent,DOUB,O12,C8,,,,,7737,bmse000378,1
7,covalent,SING,C1,C2,,,,,7737,bmse000378,1
8,covalent,SING,C1,C3,,,,,7737,bmse000378,1
9,covalent,SING,C1,H13,,,,,7737,bmse000378,1
10,covalent,SING,C1,H14,,,,,7737,bmse000378,1
11,covalent,SING,C2,C4,,,,,7737,bmse000378,1
12,covalent,SING,C2,H15,,,,,7737,bmse000378,1
13,covalent,SING,C2,H16,,,,,7737,bmse000378,1
14,covalent,SING,C3,C5,,,,,7737,bmse000378,1
15,covalent,SING,C3,H17,,,,,7737,bmse000378,1
16,covalent,SING,C3,H18,,,,,7737,bmse000378,1
17,covalent,SING,C4,C6,,,,,7737,bmse000378,1
18,covalent,SING,C4,H19,,,,,7737,bmse000378,1
19,covalent,SING,C4,H20,,,,,7737,bmse000378,1
20,covalent,SING,C5,C7,,,,,7737,bmse000378,1
21,covalent,SING,C5,H21,,,,,7737,bmse000378,1
22,covalent,SING,C5,H22,,,,,7737,bmse000378,1
23,covalent,SING,C6,C8,,,,,7737,bmse000378,1
24,covalent,SING,C6,H23,,,,,7737,bmse000378,1
25,covalent,SING,C6,H24,,,,,7737,bmse000378,1
1,covalent,SING,O8,C4,,,,,7758,bmse000379,1
2,covalent,SING,O8,H23,,,,,7758,bmse000379,1
3,covalent,SING,O9,C5,,,,,7758,bmse000379,1
4,covalent,SING,O9,H24,,,,,7758,bmse000379,1
5,covalent,SING,O10,C6,,,,,7758,bmse000379,1
6,covalent,SING,O10,H25,,,,,7758,bmse000379,1
7,covalent,SING,N7,C1,,,,,7758,bmse000379,1
8,covalent,SING,N7,C2,,,,,7758,bmse000379,1
9,covalent,SING,N7,C3,,,,,7758,bmse000379,1
10,covalent,SING,C1,C4,,,,,7758,bmse000379,1
11,covalent,SING,C1,H11,,,,,7758,bmse000379,1
12,covalent,SING,C1,H12,,,,,7758,bmse000379,1
13,covalent,SING,C2,C5,,,,,7758,bmse000379,1
14,covalent,SING,C2,H13,,,,,7758,bmse000379,1
15,covalent,SING,C2,H14,,,,,7758,bmse000379,1
16,covalent,SING,C3,C6,,,,,7758,bmse000379,1
17,covalent,SING,C3,H15,,,,,7758,bmse000379,1
18,covalent,SING,C3,H16,,,,,7758,bmse000379,1
19,covalent,SING,C4,H17,,,,,7758,bmse000379,1
20,covalent,SING,C4,H18,,,,,7758,bmse000379,1
21,covalent,SING,C5,H19,,,,,7758,bmse000379,1
22,covalent,SING,C5,H20,,,,,7758,bmse000379,1
23,covalent,SING,C6,H21,,,,,7758,bmse000379,1
24,covalent,SING,C6,H22,,,,,7758,bmse000379,1
1,covalent,SING,S10,O7,,,,,7779,bmse000380,1
2,covalent,DOUB,S10,O8,,,,,7779,bmse000380,1
3,covalent,DOUB,S10,O9,,,,,7779,bmse000380,1
4,covalent,SING,S10,C1,,,,,7779,bmse000380,1
5,covalent,SING,O7,H17,,,,,7779,bmse000380,1
6,covalent,SING,O5,C3,,,,,7779,bmse000380,1
7,covalent,SING,O5,H16,,,,,7779,bmse000380,1
8,covalent,DOUB,O6,C3,,,,,7779,bmse000380,1
9,covalent,SING,C2,N4,,,,,7779,bmse000380,1
10,covalent,SING,N4,H14,,,,,7779,bmse000380,1
11,covalent,SING,N4,H15,,,,,7779,bmse000380,1
12,covalent,SING,C1,C2,,,,,7779,bmse000380,1
13,covalent,SING,C1,H11,,,,,7779,bmse000380,1
14,covalent,SING,C1,H12,,,,,7779,bmse000380,1
15,covalent,SING,C2,C3,,,,,7779,bmse000380,1
16,covalent,SING,C2,H13,,,,,7779,bmse000380,1
1,covalent,SING,O9,C3,,,,,7801,bmse000381,1
2,covalent,SING,O9,C5,,,,,7801,bmse000381,1
3,covalent,SING,C4,O7,,,,,7801,bmse000381,1
4,covalent,SING,O7,H19,,,,,7801,bmse000381,1
5,covalent,DOUB,O8,C5,,,,,7801,bmse000381,1
6,covalent,SING,C6,C4,,,,,7801,bmse000381,1
7,covalent,SING,C6,C3,,,,,7801,bmse000381,1
8,covalent,SING,C6,C1,,,,,7801,bmse000381,1
9,covalent,SING,C6,C2,,,,,7801,bmse000381,1
10,covalent,SING,C4,C5,,,,,7801,bmse000381,1
11,covalent,SING,C4,H18,,,,,7801,bmse000381,1
12,covalent,SING,C3,H16,,,,,7801,bmse000381,1
13,covalent,SING,C3,H17,,,,,7801,bmse000381,1
14,covalent,SING,C1,H10,,,,,7801,bmse000381,1
15,covalent,SING,C1,H11,,,,,7801,bmse000381,1
16,covalent,SING,C1,H12,,,,,7801,bmse000381,1
17,covalent,SING,C2,H13,,,,,7801,bmse000381,1
18,covalent,SING,C2,H15,,,,,7801,bmse000381,1
19,covalent,SING,C2,H14,,,,,7801,bmse000381,1
1,covalent,SING,O12,C7,,,,,7823,bmse000382,1
2,covalent,SING,O12,H24,,,,,7823,bmse000382,1
3,covalent,DOUB,O13,C7,,,,,7823,bmse000382,1
4,covalent,SING,O10,C6,,,,,7823,bmse000382,1
5,covalent,SING,O10,H23,,,,,7823,bmse000382,1
6,covalent,DOUB,O9,C4,,,,,7823,bmse000382,1
7,covalent,DOUB,O11,C6,,,,,7823,bmse000382,1
8,covalent,SING,C5,N8,,,,,7823,bmse000382,1
9,covalent,SING,N8,C4,,,,,7823,bmse000382,1
10,covalent,SING,N8,H22,,,,,7823,bmse000382,1
11,covalent,SING,C5,C2,,,,,7823,bmse000382,1
12,covalent,SING,C5,C7,,,,,7823,bmse000382,1
13,covalent,SING,C5,H21,,,,,7823,bmse000382,1
14,covalent,SING,C2,C3,,,,,7823,bmse000382,1
15,covalent,SING,C2,H17,,,,,7823,bmse000382,1
16,covalent,SING,C2,H18,,,,,7823,bmse000382,1
17,covalent,SING,C3,C6,,,,,7823,bmse000382,1
18,covalent,SING,C3,H19,,,,,7823,bmse000382,1
19,covalent,SING,C3,H20,,,,,7823,bmse000382,1
20,covalent,SING,C4,C1,,,,,7823,bmse000382,1
21,covalent,SING,C1,H16,,,,,7823,bmse000382,1
22,covalent,SING,C1,H14,,,,,7823,bmse000382,1
23,covalent,SING,C1,H15,,,,,7823,bmse000382,1
1,covalent,DOUB,O7,C5,,,,,7846,bmse000383,1
2,covalent,SING,O8,C6,,,,,7846,bmse000383,1
3,covalent,SING,O8,H19,,,,,7846,bmse000383,1
4,covalent,DOUB,O9,C6,,,,,7846,bmse000383,1
5,covalent,SING,C4,C3,,,,,7846,bmse000383,1
6,covalent,SING,C4,C1,,,,,7846,bmse000383,1
7,covalent,SING,C4,C2,,,,,7846,bmse000383,1
8,covalent,SING,C4,H18,,,,,7846,bmse000383,1
9,covalent,SING,C3,C5,,,,,7846,bmse000383,1
10,covalent,SING,C3,H16,,,,,7846,bmse000383,1
11,covalent,SING,C3,H17,,,,,7846,bmse000383,1
12,covalent,SING,C1,H10,,,,,7846,bmse000383,1
13,covalent,SING,C1,H11,,,,,7846,bmse000383,1
14,covalent,SING,C1,H12,,,,,7846,bmse000383,1
15,covalent,SING,C2,H13,,,,,7846,bmse000383,1
16,covalent,SING,C2,H14,,,,,7846,bmse000383,1
17,covalent,SING,C2,H15,,,,,7846,bmse000383,1
18,covalent,SING,C5,C6,,,,,7846,bmse000383,1
1,covalent,SING,O7,C2,,,,,7868,bmse000384,1
2,covalent,SING,O7,H15,,,,,7868,bmse000384,1
3,covalent,DOUB,O8,C2,,,,,7868,bmse000384,1
4,covalent,SING,N6,C1,,,,,7868,bmse000384,1
5,covalent,DOUB,N6,C3,,,,,7868,bmse000384,1
6,covalent,SING,N4,C3,,,,,7868,bmse000384,1
7,covalent,SING,N4,H11,,,,,7868,bmse000384,1
8,covalent,SING,N4,H12,,,,,7868,bmse000384,1
9,covalent,SING,N5,C3,,,,,7868,bmse000384,1
10,covalent,SING,N5,H13,,,,,7868,bmse000384,1
11,covalent,SING,N5,H14,,,,,7868,bmse000384,1
12,covalent,SING,C1,C2,,,,,7868,bmse000384,1
13,covalent,SING,C1,H9,,,,,7868,bmse000384,1
14,covalent,SING,C1,H10,,,,,7868,bmse000384,1
1,covalent,SING,O7,C5,,,,,7889,bmse000385,1
2,covalent,SING,O7,H13,,,,,7889,bmse000385,1
3,covalent,SING,O8,C6,,,,,7889,bmse000385,1
4,covalent,SING,O8,H14,,,,,7889,bmse000385,1
5,covalent,SING,C5,C6,,,,,7889,bmse000385,1
6,covalent,DOUB,C5,C3,,,,,7889,bmse000385,1
7,covalent,DOUB,C6,C4,,,,,7889,bmse000385,1
8,covalent,SING,C3,C1,,,,,7889,bmse000385,1
9,covalent,SING,C3,H11,,,,,7889,bmse000385,1
10,covalent,SING,C4,C2,,,,,7889,bmse000385,1
11,covalent,SING,C4,H12,,,,,7889,bmse000385,1
12,covalent,DOUB,C1,C2,,,,,7889,bmse000385,1
13,covalent,SING,C1,H9,,,,,7889,bmse000385,1
14,covalent,SING,C2,H10,,,,,7889,bmse000385,1
1,covalent,SING,O4,C2,,,,,7909,bmse000386,1
2,covalent,SING,O4,H10,,,,,7909,bmse000386,1
3,covalent,SING,O6,C3,,,,,7909,bmse000386,1
4,covalent,SING,O6,H11,,,,,7909,bmse000386,1
5,covalent,DOUB,O5,C2,,,,,7909,bmse000386,1
6,covalent,DOUB,O7,C3,,,,,7909,bmse000386,1
7,covalent,SING,C1,C2,,,,,7909,bmse000386,1
8,covalent,SING,C1,C3,,,,,7909,bmse000386,1
9,covalent,SING,C1,H8,,,,,7909,bmse000386,1
10,covalent,SING,C1,H9,,,,,7909,bmse000386,1
1,covalent,SING,C12,O25,,,,,7924,bmse000387,1
2,covalent,SING,O25,C13,,,,,7924,bmse000387,1
3,covalent,SING,C16,O24,,,,,7924,bmse000387,1
4,covalent,SING,O24,H43,,,,,7924,bmse000387,1
5,covalent,SING,C14,O21,,,,,7924,bmse000387,1
6,covalent,SING,O21,H41,,,,,7924,bmse000387,1
7,covalent,SING,C11,O19,,,,,7924,bmse000387,1
8,covalent,SING,O19,H40,,,,,7924,bmse000387,1
9,covalent,SING,O22,C15,,,,,7924,bmse000387,1
10,covalent,SING,O22,H42,,,,,7924,bmse000387,1
11,covalent,DOUB,O23,C15,,,,,7924,bmse000387,1
12,covalent,DOUB,O20,C13,,,,,7924,bmse000387,1
13,covalent,SING,O18,C10,,,,,7924,bmse000387,1
14,covalent,SING,O18,H39,,,,,7924,bmse000387,1
15,covalent,SING,O17,C9,,,,,7924,bmse000387,1
16,covalent,SING,O17,H38,,,,,7924,bmse000387,1
17,covalent,SING,C16,C7,,,,,7924,bmse000387,1
18,covalent,SING,C16,C6,,,,,7924,bmse000387,1
19,covalent,SING,C16,C15,,,,,7924,bmse000387,1
20,covalent,SING,C12,C7,,,,,7924,bmse000387,1
21,covalent,SING,C12,C14,,,,,7924,bmse000387,1
22,covalent,SING,C12,H36,,,,,7924,bmse000387,1
23,covalent,SING,C7,H33,,,,,7924,bmse000387,1
24,covalent,SING,C7,H34,,,,,7924,bmse000387,1
25,covalent,SING,C6,C11,,,,,7924,bmse000387,1
26,covalent,SING,C6,H31,,,,,7924,bmse000387,1
27,covalent,SING,C6,H32,,,,,7924,bmse000387,1
28,covalent,SING,C14,C11,,,,,7924,bmse000387,1
29,covalent,SING,C14,H37,,,,,7924,bmse000387,1
30,covalent,SING,C11,H35,,,,,7924,bmse000387,1
31,covalent,SING,C13,C4,,,,,7924,bmse000387,1
32,covalent,DOUB,C4,C2,,,,,7924,bmse000387,1
33,covalent,SING,C4,H29,,,,,7924,bmse000387,1
34,covalent,SING,C2,C8,,,,,7924,bmse000387,1
35,covalent,SING,C2,H27,,,,,7924,bmse000387,1
36,covalent,DOUB,C8,C5,,,,,7924,bmse000387,1
37,covalent,SING,C8,C1,,,,,7924,bmse000387,1
38,covalent,SING,C5,C10,,,,,7924,bmse000387,1
39,covalent,SING,C5,H30,,,,,7924,bmse000387,1
40,covalent,DOUB,C1,C3,,,,,7924,bmse000387,1
41,covalent,SING,C1,H26,,,,,7924,bmse000387,1
42,covalent,DOUB,C10,C9,,,,,7924,bmse000387,1
43,covalent,SING,C3,C9,,,,,7924,bmse000387,1
44,covalent,SING,C3,H28,,,,,7924,bmse000387,1
1,covalent,SING,S4,C2,,,,,7947,bmse000388,1
2,covalent,SING,S4,H11,,,,,7947,bmse000388,1
3,covalent,SING,N3,C1,,,,,7947,bmse000388,1
4,covalent,SING,N3,H9,,,,,7947,bmse000388,1
5,covalent,SING,N3,H10,,,,,7947,bmse000388,1
6,covalent,SING,C1,C2,,,,,7947,bmse000388,1
7,covalent,SING,C1,H5,,,,,7947,bmse000388,1
8,covalent,SING,C1,H6,,,,,7947,bmse000388,1
9,covalent,SING,C2,H7,,,,,7947,bmse000388,1
10,covalent,SING,C2,H8,,,,,7947,bmse000388,1
1,covalent,SING,O10,C6,,,,,7968,bmse000389,1
2,covalent,SING,O10,H17,,,,,7968,bmse000389,1
3,covalent,SING,O8,C4,,,,,7968,bmse000389,1
4,covalent,SING,O8,H15,,,,,7968,bmse000389,1
5,covalent,SING,O9,C5,,,,,7968,bmse000389,1
6,covalent,SING,O9,H16,,,,,7968,bmse000389,1
7,covalent,SING,O11,C7,,,,,7968,bmse000389,1
8,covalent,SING,O11,H18,,,,,7968,bmse000389,1
9,covalent,DOUB,O12,C7,,,,,7968,bmse000389,1
10,covalent,DOUB,C3,C1,,,,,7968,bmse000389,1
11,covalent,SING,C3,C2,,,,,7968,bmse000389,1
12,covalent,SING,C3,C7,,,,,7968,bmse000389,1
13,covalent,DOUB,C6,C4,,,,,7968,bmse000389,1
14,covalent,SING,C6,C5,,,,,7968,bmse000389,1
15,covalent,SING,C4,C1,,,,,7968,bmse000389,1
16,covalent,DOUB,C5,C2,,,,,7968,bmse000389,1
17,covalent,SING,C1,H13,,,,,7968,bmse000389,1
18,covalent,SING,C2,H14,,,,,7968,bmse000389,1
1,covalent,SING,O6,C4,,,,,7990,bmse000390,1
2,covalent,SING,O6,H16,,,,,7990,bmse000390,1
3,covalent,DOUB,O7,C4,,,,,7990,bmse000390,1
4,covalent,SING,N5,C3,,,,,7990,bmse000390,1
5,covalent,SING,N5,H14,,,,,7990,bmse000390,1
6,covalent,SING,N5,H15,,,,,7990,bmse000390,1
7,covalent,SING,C3,C2,,,,,7990,bmse000390,1
8,covalent,SING,C3,C4,,,,,7990,bmse000390,1
9,covalent,SING,C3,H13,,,,,7990,bmse000390,1
10,covalent,SING,C2,C1,,,,,7990,bmse000390,1
11,covalent,SING,C2,H11,,,,,7990,bmse000390,1
12,covalent,SING,C2,H12,,,,,7990,bmse000390,1
13,covalent,SING,C1,H10,,,,,7990,bmse000390,1
14,covalent,SING,C1,H8,,,,,7990,bmse000390,1
15,covalent,SING,C1,H9,,,,,7990,bmse000390,1
1,covalent,SING,O9,C7,,,,,8012,bmse000391,1
2,covalent,SING,O9,H17,,,,,8012,bmse000391,1
3,covalent,SING,O11,C8,,,,,8012,bmse000391,1
4,covalent,SING,O11,H18,,,,,8012,bmse000391,1
5,covalent,DOUB,O10,C7,,,,,8012,bmse000391,1
6,covalent,DOUB,O12,C8,,,,,8012,bmse000391,1
7,covalent,SING,C5,C6,,,,,8012,bmse000391,1
8,covalent,DOUB,C5,C3,,,,,8012,bmse000391,1
9,covalent,SING,C5,C7,,,,,8012,bmse000391,1
10,covalent,DOUB,C6,C4,,,,,8012,bmse000391,1
11,covalent,SING,C6,C8,,,,,8012,bmse000391,1
12,covalent,SING,C3,C1,,,,,8012,bmse000391,1
13,covalent,SING,C3,H15,,,,,8012,bmse000391,1
14,covalent,SING,C4,C2,,,,,8012,bmse000391,1
15,covalent,SING,C4,H16,,,,,8012,bmse000391,1
16,covalent,DOUB,C1,C2,,,,,8012,bmse000391,1
17,covalent,SING,C1,H13,,,,,8012,bmse000391,1
18,covalent,SING,C2,H14,,,,,8012,bmse000391,1
1,covalent,DOUB,O5,C3,,,,,8035,bmse000392,1
2,covalent,SING,N4,C3,,,,,8035,bmse000392,1
3,covalent,SING,N4,H9,,,,,8035,bmse000392,1
4,covalent,SING,N4,H10,,,,,8035,bmse000392,1
5,covalent,SING,C3,C2,,,,,8035,bmse000392,1
6,covalent,DOUB,C2,C1,,,,,8035,bmse000392,1
7,covalent,SING,C2,H8,,,,,8035,bmse000392,1
8,covalent,SING,C1,H6,,,,,8035,bmse000392,1
9,covalent,SING,C1,H7,,,,,8035,bmse000392,1
1,covalent,SING,O7,C2,,,,,8054,bmse000393,1
2,covalent,SING,O7,H17,,,,,8054,bmse000393,1
3,covalent,SING,O9,C4,,,,,8054,bmse000393,1
4,covalent,SING,O9,H18,,,,,8054,bmse000393,1
5,covalent,DOUB,O8,C3,,,,,8054,bmse000393,1
6,covalent,SING,O11,C5,,,,,8054,bmse000393,1
7,covalent,SING,O11,H19,,,,,8054,bmse000393,1
8,covalent,DOUB,O10,C4,,,,,8054,bmse000393,1
9,covalent,DOUB,O12,C5,,,,,8054,bmse000393,1
10,covalent,SING,O13,C6,,,,,8054,bmse000393,1
11,covalent,SING,O13,H20,,,,,8054,bmse000393,1
12,covalent,DOUB,O14,C6,,,,,8054,bmse000393,1
13,covalent,SING,C1,C2,,,,,8054,bmse000393,1
14,covalent,SING,C1,C3,,,,,8054,bmse000393,1
15,covalent,SING,C1,C4,,,,,8054,bmse000393,1
16,covalent,SING,C1,H15,,,,,8054,bmse000393,1
17,covalent,SING,C2,C5,,,,,8054,bmse000393,1
18,covalent,SING,C2,H16,,,,,8054,bmse000393,1
19,covalent,SING,C3,C6,,,,,8054,bmse000393,1
1,covalent,SING,O8,C6,,,,,8069,bmse000394,1
2,covalent,SING,O8,H22,,,,,8069,bmse000394,1
3,covalent,DOUB,O9,C6,,,,,8069,bmse000394,1
4,covalent,SING,N7,C5,,,,,8069,bmse000394,1
5,covalent,SING,N7,H20,,,,,8069,bmse000394,1
6,covalent,SING,N7,H21,,,,,8069,bmse000394,1
7,covalent,SING,C1,C2,,,,,8069,bmse000394,1
8,covalent,SING,C1,C3,,,,,8069,bmse000394,1
9,covalent,SING,C1,H10,,,,,8069,bmse000394,1
10,covalent,SING,C1,H11,,,,,8069,bmse000394,1
11,covalent,SING,C2,C4,,,,,8069,bmse000394,1
12,covalent,SING,C2,H12,,,,,8069,bmse000394,1
13,covalent,SING,C2,H13,,,,,8069,bmse000394,1
14,covalent,SING,C3,C5,,,,,8069,bmse000394,1
15,covalent,SING,C3,H14,,,,,8069,bmse000394,1
16,covalent,SING,C3,H15,,,,,8069,bmse000394,1
17,covalent,SING,C4,C6,,,,,8069,bmse000394,1
18,covalent,SING,C4,H16,,,,,8069,bmse000394,1
19,covalent,SING,C4,H17,,,,,8069,bmse000394,1
20,covalent,SING,C5,H18,,,,,8069,bmse000394,1
21,covalent,SING,C5,H19,,,,,8069,bmse000394,1
1,covalent,SING,Cl9,C7,,,,,8091,bmse000395,1
2,covalent,SING,O10,C8,,,,,8091,bmse000395,1
3,covalent,SING,O10,H18,,,,,8091,bmse000395,1
4,covalent,DOUB,O11,C8,,,,,8091,bmse000395,1
5,covalent,SING,C6,C5,,,,,8091,bmse000395,1
6,covalent,DOUB,C6,C1,,,,,8091,bmse000395,1
7,covalent,SING,C6,C2,,,,,8091,bmse000395,1
8,covalent,SING,C5,C8,,,,,8091,bmse000395,1
9,covalent,SING,C5,H16,,,,,8091,bmse000395,1
10,covalent,SING,C5,H17,,,,,8091,bmse000395,1
11,covalent,SING,C1,C3,,,,,8091,bmse000395,1
12,covalent,SING,C1,H12,,,,,8091,bmse000395,1
13,covalent,DOUB,C2,C4,,,,,8091,bmse000395,1
14,covalent,SING,C2,H13,,,,,8091,bmse000395,1
15,covalent,DOUB,C3,C7,,,,,8091,bmse000395,1
16,covalent,SING,C3,H14,,,,,8091,bmse000395,1
17,covalent,SING,C4,C7,,,,,8091,bmse000395,1
18,covalent,SING,C4,H15,,,,,8091,bmse000395,1
1,covalent,SING,O11,C9,,,,,8113,bmse000396,1
2,covalent,SING,O11,H24,,,,,8113,bmse000396,1
3,covalent,SING,N10,C7,,,,,8113,bmse000396,1
4,covalent,SING,N10,C1,,,,,8113,bmse000396,1
5,covalent,SING,N10,H23,,,,,8113,bmse000396,1
6,covalent,SING,C9,C7,,,,,8113,bmse000396,1
7,covalent,SING,C9,C8,,,,,8113,bmse000396,1
8,covalent,SING,C9,H22,,,,,8113,bmse000396,1
9,covalent,SING,C7,H20,,,,,8113,bmse000396,1
10,covalent,SING,C7,H21,,,,,8113,bmse000396,1
11,covalent,DOUB,C8,C5,,,,,8113,bmse000396,1
12,covalent,SING,C8,C6,,,,,8113,bmse000396,1
13,covalent,SING,C5,C3,,,,,8113,bmse000396,1
14,covalent,SING,C5,H18,,,,,8113,bmse000396,1
15,covalent,DOUB,C6,C4,,,,,8113,bmse000396,1
16,covalent,SING,C6,H19,,,,,8113,bmse000396,1
17,covalent,DOUB,C3,C2,,,,,8113,bmse000396,1
18,covalent,SING,C3,H16,,,,,8113,bmse000396,1
19,covalent,SING,C4,C2,,,,,8113,bmse000396,1
20,covalent,SING,C4,H17,,,,,8113,bmse000396,1
21,covalent,SING,C1,H14,,,,,8113,bmse000396,1
22,covalent,SING,C1,H13,,,,,8113,bmse000396,1
23,covalent,SING,C1,H12,,,,,8113,bmse000396,1
24,covalent,SING,C2,H15,,,,,8113,bmse000396,1
1,covalent,DOUB,S10,O9,,,,,8136,bmse000397,1
2,covalent,SING,S10,C3,,,,,8136,bmse000397,1
3,covalent,SING,S10,C1,,,,,8136,bmse000397,1
4,covalent,SING,O7,C5,,,,,8136,bmse000397,1
5,covalent,SING,O7,H21,,,,,8136,bmse000397,1
6,covalent,DOUB,O8,C5,,,,,8136,bmse000397,1
7,covalent,SING,N6,C4,,,,,8136,bmse000397,1
8,covalent,SING,N6,H19,,,,,8136,bmse000397,1
9,covalent,SING,N6,H20,,,,,8136,bmse000397,1
10,covalent,SING,C2,C4,,,,,8136,bmse000397,1
11,covalent,SING,C2,C3,,,,,8136,bmse000397,1
12,covalent,SING,C2,H14,,,,,8136,bmse000397,1
13,covalent,SING,C2,H15,,,,,8136,bmse000397,1
14,covalent,SING,C4,C5,,,,,8136,bmse000397,1
15,covalent,SING,C4,H18,,,,,8136,bmse000397,1
16,covalent,SING,C3,H16,,,,,8136,bmse000397,1
17,covalent,SING,C3,H17,,,,,8136,bmse000397,1
18,covalent,SING,C1,H12,,,,,8136,bmse000397,1
19,covalent,SING,C1,H13,,,,,8136,bmse000397,1
20,covalent,SING,C1,H11,,,,,8136,bmse000397,1
1,covalent,SING,O5,C3,,,,,8158,bmse000398,1
2,covalent,SING,O5,H13,,,,,8158,bmse000398,1
3,covalent,SING,O7,C4,,,,,8158,bmse000398,1
4,covalent,SING,O7,H14,,,,,8158,bmse000398,1
5,covalent,DOUB,O6,C3,,,,,8158,bmse000398,1
6,covalent,DOUB,O8,C4,,,,,8158,bmse000398,1
7,covalent,SING,C2,C1,,,,,8158,bmse000398,1
8,covalent,SING,C2,C3,,,,,8158,bmse000398,1
9,covalent,SING,C2,C4,,,,,8158,bmse000398,1
10,covalent,SING,C2,H12,,,,,8158,bmse000398,1
11,covalent,SING,C1,H9,,,,,8158,bmse000398,1
12,covalent,SING,C1,H11,,,,,8158,bmse000398,1
13,covalent,SING,C1,H10,,,,,8158,bmse000398,1
1,covalent,SING,P11,O10,,,,,8180,bmse000399,1
2,covalent,SING,P11,O7,,,,,8180,bmse000399,1
3,covalent,SING,P11,O8,,,,,8180,bmse000399,1
4,covalent,DOUB,P11,O9,,,,,8180,bmse000399,1
5,covalent,SING,O10,C1,,,,,8180,bmse000399,1
6,covalent,SING,O7,H18,,,,,8180,bmse000399,1
7,covalent,SING,O8,H19,,,,,8180,bmse000399,1
8,covalent,SING,O5,C3,,,,,8180,bmse000399,1
9,covalent,SING,O5,H17,,,,,8180,bmse000399,1
10,covalent,DOUB,O6,C3,,,,,8180,bmse000399,1
11,covalent,SING,C2,N4,,,,,8180,bmse000399,1
12,covalent,SING,N4,H15,,,,,8180,bmse000399,1
13,covalent,SING,N4,H16,,,,,8180,bmse000399,1
14,covalent,SING,C2,C1,,,,,8180,bmse000399,1
15,covalent,SING,C2,C3,,,,,8180,bmse000399,1
16,covalent,SING,C2,H14,,,,,8180,bmse000399,1
17,covalent,SING,C1,H12,,,,,8180,bmse000399,1
18,covalent,SING,C1,H13,,,,,8180,bmse000399,1
1,covalent,SING,S1,O2,,,,,8202,bmse000400,1
2,covalent,DOUB,S1,O3,,,,,8202,bmse000400,1
3,covalent,DOUB,S1,O4,,,,,8202,bmse000400,1
4,covalent,SING,S1,C5,,,,,8202,bmse000400,1
5,covalent,SING,C5,C6,,,,,8202,bmse000400,1
6,covalent,SING,C5,H7,,,,,8202,bmse000400,1
7,covalent,SING,C5,H8,,,,,8202,bmse000400,1
8,covalent,SING,C6,H9,,,,,8202,bmse000400,1
9,covalent,SING,C6,H10,,,,,8202,bmse000400,1
10,covalent,SING,C6,H11,,,,,8202,bmse000400,1
1,covalent,SING,O10,C6,,,,,8223,bmse000401,1
2,covalent,SING,O10,H26,,,,,8223,bmse000401,1
3,covalent,SING,O12,C7,,,,,8223,bmse000401,1
4,covalent,SING,O12,H27,,,,,8223,bmse000401,1
5,covalent,DOUB,O11,C6,,,,,8223,bmse000401,1
6,covalent,DOUB,O13,C7,,,,,8223,bmse000401,1
7,covalent,SING,N8,C4,,,,,8223,bmse000401,1
8,covalent,SING,N8,H22,,,,,8223,bmse000401,1
9,covalent,SING,N8,H23,,,,,8223,bmse000401,1
10,covalent,SING,N9,C5,,,,,8223,bmse000401,1
11,covalent,SING,N9,H24,,,,,8223,bmse000401,1
12,covalent,SING,N9,H25,,,,,8223,bmse000401,1
13,covalent,SING,C1,C2,,,,,8223,bmse000401,1
14,covalent,SING,C1,C3,,,,,8223,bmse000401,1
15,covalent,SING,C1,H14,,,,,8223,bmse000401,1
16,covalent,SING,C1,H15,,,,,8223,bmse000401,1
17,covalent,SING,C2,C4,,,,,8223,bmse000401,1
18,covalent,SING,C2,H16,,,,,8223,bmse000401,1
19,covalent,SING,C2,H17,,,,,8223,bmse000401,1
20,covalent,SING,C3,C5,,,,,8223,bmse000401,1
21,covalent,SING,C3,H18,,,,,8223,bmse000401,1
22,covalent,SING,C3,H19,,,,,8223,bmse000401,1
23,covalent,SING,C4,C6,,,,,8223,bmse000401,1
24,covalent,SING,C4,H20,,,,,8223,bmse000401,1
25,covalent,SING,C5,C7,,,,,8223,bmse000401,1
26,covalent,SING,C5,H21,,,,,8223,bmse000401,1
1,covalent,SING,O5,C4,,,,,8245,bmse000402,1
2,covalent,SING,O5,H14,,,,,8245,bmse000402,1
3,covalent,DOUB,O6,C4,,,,,8245,bmse000402,1
4,covalent,SING,C2,C3,,,,,8245,bmse000402,1
5,covalent,SING,C2,C1,,,,,8245,bmse000402,1
6,covalent,SING,C2,H10,,,,,8245,bmse000402,1
7,covalent,SING,C2,H11,,,,,8245,bmse000402,1
8,covalent,SING,C3,C4,,,,,8245,bmse000402,1
9,covalent,SING,C3,H12,,,,,8245,bmse000402,1
10,covalent,SING,C3,H13,,,,,8245,bmse000402,1
11,covalent,SING,C1,H9,,,,,8245,bmse000402,1
12,covalent,SING,C1,H7,,,,,8245,bmse000402,1
13,covalent,SING,C1,H8,,,,,8245,bmse000402,1
1,covalent,DOUB,O9,C5,,,,,8266,bmse000403,1
2,covalent,SING,O10,C6,,,,,8266,bmse000403,1
3,covalent,SING,O10,H23,,,,,8266,bmse000403,1
4,covalent,DOUB,O11,C6,,,,,8266,bmse000403,1
5,covalent,SING,C4,N8,,,,,8266,bmse000403,1
6,covalent,SING,N8,C5,,,,,8266,bmse000403,1
7,covalent,SING,N8,H22,,,,,8266,bmse000403,1
8,covalent,SING,C3,N7,,,,,8266,bmse000403,1
9,covalent,SING,N7,H20,,,,,8266,bmse000403,1
10,covalent,SING,N7,H21,,,,,8266,bmse000403,1
11,covalent,SING,C4,C2,,,,,8266,bmse000403,1
12,covalent,SING,C4,C6,,,,,8266,bmse000403,1
13,covalent,SING,C4,H19,,,,,8266,bmse000403,1
14,covalent,SING,C3,C5,,,,,8266,bmse000403,1
15,covalent,SING,C3,C1,,,,,8266,bmse000403,1
16,covalent,SING,C3,H18,,,,,8266,bmse000403,1
17,covalent,SING,C2,H17,,,,,8266,bmse000403,1
18,covalent,SING,C2,H16,,,,,8266,bmse000403,1
19,covalent,SING,C2,H15,,,,,8266,bmse000403,1
20,covalent,SING,C1,H13,,,,,8266,bmse000403,1
21,covalent,SING,C1,H14,,,,,8266,bmse000403,1
22,covalent,SING,C1,H12,,,,,8266,bmse000403,1
1,covalent,SING,C8,O12,,,,,8289,bmse000404,1
2,covalent,SING,O12,H23,,,,,8289,bmse000404,1
3,covalent,SING,O11,C7,,,,,8289,bmse000404,1
4,covalent,SING,O11,H22,,,,,8289,bmse000404,1
5,covalent,SING,O10,C6,,,,,8289,bmse000404,1
6,covalent,SING,O10,H21,,,,,8289,bmse000404,1
7,covalent,SING,N9,C4,,,,,8289,bmse000404,1
8,covalent,SING,N9,H19,,,,,8289,bmse000404,1
9,covalent,SING,N9,H20,,,,,8289,bmse000404,1
10,covalent,SING,C8,C5,,,,,8289,bmse000404,1
11,covalent,SING,C8,C4,,,,,8289,bmse000404,1
12,covalent,SING,C8,H18,,,,,8289,bmse000404,1
13,covalent,DOUB,C5,C3,,,,,8289,bmse000404,1
14,covalent,SING,C5,C1,,,,,8289,bmse000404,1
15,covalent,SING,C4,H16,,,,,8289,bmse000404,1
16,covalent,SING,C4,H17,,,,,8289,bmse000404,1
17,covalent,SING,C3,C7,,,,,8289,bmse000404,1
18,covalent,SING,C3,H15,,,,,8289,bmse000404,1
19,covalent,DOUB,C1,C2,,,,,8289,bmse000404,1
20,covalent,SING,C1,H13,,,,,8289,bmse000404,1
21,covalent,DOUB,C7,C6,,,,,8289,bmse000404,1
22,covalent,SING,C2,C6,,,,,8289,bmse000404,1
23,covalent,SING,C2,H14,,,,,8289,bmse000404,1
1,covalent,DOUB,O7,C6,,,,,8311,bmse000405,1
2,covalent,SING,C1,C2,,,,,8311,bmse000405,1
3,covalent,SING,C1,C3,,,,,8311,bmse000405,1
4,covalent,SING,C1,H8,,,,,8311,bmse000405,1
5,covalent,SING,C1,H9,,,,,8311,bmse000405,1
6,covalent,SING,C2,C4,,,,,8311,bmse000405,1
7,covalent,SING,C2,H10,,,,,8311,bmse000405,1
8,covalent,SING,C2,H11,,,,,8311,bmse000405,1
9,covalent,SING,C3,C5,,,,,8311,bmse000405,1
10,covalent,SING,C3,H12,,,,,8311,bmse000405,1
11,covalent,SING,C3,H13,,,,,8311,bmse000405,1
12,covalent,SING,C4,C6,,,,,8311,bmse000405,1
13,covalent,SING,C4,H14,,,,,8311,bmse000405,1
14,covalent,SING,C4,H15,,,,,8311,bmse000405,1
15,covalent,SING,C5,C6,,,,,8311,bmse000405,1
16,covalent,SING,C5,H16,,,,,8311,bmse000405,1
17,covalent,SING,C5,H17,,,,,8311,bmse000405,1
1,covalent,SING,O6,C4,,,,,8332,bmse000406,1
2,covalent,SING,O6,H16,,,,,8332,bmse000406,1
3,covalent,SING,O8,C5,,,,,8332,bmse000406,1
4,covalent,SING,O8,H17,,,,,8332,bmse000406,1
5,covalent,DOUB,O7,C4,,,,,8332,bmse000406,1
6,covalent,DOUB,O9,C5,,,,,8332,bmse000406,1
7,covalent,SING,C1,C2,,,,,8332,bmse000406,1
8,covalent,SING,C1,C3,,,,,8332,bmse000406,1
9,covalent,SING,C1,H10,,,,,8332,bmse000406,1
10,covalent,SING,C1,H11,,,,,8332,bmse000406,1
11,covalent,SING,C2,C4,,,,,8332,bmse000406,1
12,covalent,SING,C2,H12,,,,,8332,bmse000406,1
13,covalent,SING,C2,H13,,,,,8332,bmse000406,1
14,covalent,SING,C3,C5,,,,,8332,bmse000406,1
15,covalent,SING,C3,H14,,,,,8332,bmse000406,1
16,covalent,SING,C3,H15,,,,,8332,bmse000406,1
1,covalent,SING,O8,C6,,,,,8353,bmse000407,1
2,covalent,SING,O8,H16,,,,,8353,bmse000407,1
3,covalent,SING,C7,C6,,,,,8353,bmse000407,1
4,covalent,DOUB,C7,C4,,,,,8353,bmse000407,1
5,covalent,SING,C7,C5,,,,,8353,bmse000407,1
6,covalent,SING,C6,H14,,,,,8353,bmse000407,1
7,covalent,SING,C6,H15,,,,,8353,bmse000407,1
8,covalent,SING,C4,C2,,,,,8353,bmse000407,1
9,covalent,SING,C4,H12,,,,,8353,bmse000407,1
10,covalent,DOUB,C5,C3,,,,,8353,bmse000407,1
11,covalent,SING,C5,H13,,,,,8353,bmse000407,1
12,covalent,DOUB,C2,C1,,,,,8353,bmse000407,1
13,covalent,SING,C2,H10,,,,,8353,bmse000407,1
14,covalent,SING,C3,C1,,,,,8353,bmse000407,1
15,covalent,SING,C3,H11,,,,,8353,bmse000407,1
16,covalent,SING,C1,H9,,,,,8353,bmse000407,1
1,covalent,DOUB,O13,C9,,,,,8375,bmse000408,1
2,covalent,SING,O11,C8,,,,,8375,bmse000408,1
3,covalent,SING,O11,H22,,,,,8375,bmse000408,1
4,covalent,DOUB,O12,C8,,,,,8375,bmse000408,1
5,covalent,SING,N10,C9,,,,,8375,bmse000408,1
6,covalent,SING,N10,C6,,,,,8375,bmse000408,1
7,covalent,SING,N10,H21,,,,,8375,bmse000408,1
8,covalent,SING,C7,C9,,,,,8375,bmse000408,1
9,covalent,DOUB,C7,C4,,,,,8375,bmse000408,1
10,covalent,SING,C7,C5,,,,,8375,bmse000408,1
11,covalent,SING,C6,C8,,,,,8375,bmse000408,1
12,covalent,SING,C6,H19,,,,,8375,bmse000408,1
13,covalent,SING,C6,H20,,,,,8375,bmse000408,1
14,covalent,SING,C4,C2,,,,,8375,bmse000408,1
15,covalent,SING,C4,H17,,,,,8375,bmse000408,1
16,covalent,DOUB,C5,C3,,,,,8375,bmse000408,1
17,covalent,SING,C5,H18,,,,,8375,bmse000408,1
18,covalent,DOUB,C2,C1,,,,,8375,bmse000408,1
19,covalent,SING,C2,H15,,,,,8375,bmse000408,1
20,covalent,SING,C3,C1,,,,,8375,bmse000408,1
21,covalent,SING,C3,H16,,,,,8375,bmse000408,1
22,covalent,SING,C1,H14,,,,,8375,bmse000408,1
1,covalent,SING,O13,C10,,,,,8398,bmse000409,1
2,covalent,SING,O13,H25,,,,,8398,bmse000409,1
3,covalent,SING,O14,C11,,,,,8398,bmse000409,1
4,covalent,SING,O14,H26,,,,,8398,bmse000409,1
5,covalent,DOUB,O15,C11,,,,,8398,bmse000409,1
6,covalent,SING,N12,C9,,,,,8398,bmse000409,1
7,covalent,SING,N12,C6,,,,,8398,bmse000409,1
8,covalent,SING,N12,H24,,,,,8398,bmse000409,1
9,covalent,SING,C7,C5,,,,,8398,bmse000409,1
10,covalent,SING,C7,C8,,,,,8398,bmse000409,1
11,covalent,DOUB,C7,C6,,,,,8398,bmse000409,1
12,covalent,SING,C5,C10,,,,,8398,bmse000409,1
13,covalent,SING,C5,H20,,,,,8398,bmse000409,1
14,covalent,SING,C5,H21,,,,,8398,bmse000409,1
15,covalent,SING,C8,C9,,,,,8398,bmse000409,1
16,covalent,DOUB,C8,C3,,,,,8398,bmse000409,1
17,covalent,DOUB,C9,C4,,,,,8398,bmse000409,1
18,covalent,SING,C10,C11,,,,,8398,bmse000409,1
19,covalent,SING,C10,H23,,,,,8398,bmse000409,1
20,covalent,SING,C6,H22,,,,,8398,bmse000409,1
21,covalent,SING,C3,C1,,,,,8398,bmse000409,1
22,covalent,SING,C3,H18,,,,,8398,bmse000409,1
23,covalent,SING,C4,C2,,,,,8398,bmse000409,1
24,covalent,SING,C4,H19,,,,,8398,bmse000409,1
25,covalent,DOUB,C1,C2,,,,,8398,bmse000409,1
26,covalent,SING,C1,H16,,,,,8398,bmse000409,1
27,covalent,SING,C2,H17,,,,,8398,bmse000409,1
1,covalent,DOUB,O12,C9,,,,,8420,bmse000410,1
2,covalent,SING,O13,C10,,,,,8420,bmse000410,1
3,covalent,SING,O13,H21,,,,,8420,bmse000410,1
4,covalent,DOUB,O14,C10,,,,,8420,bmse000410,1
5,covalent,SING,N11,C7,,,,,8420,bmse000410,1
6,covalent,SING,N11,C8,,,,,8420,bmse000410,1
7,covalent,SING,N11,H20,,,,,8420,bmse000410,1
8,covalent,SING,C7,C6,,,,,8420,bmse000410,1
9,covalent,DOUB,C7,C4,,,,,8420,bmse000410,1
10,covalent,SING,C6,C9,,,,,8420,bmse000410,1
11,covalent,DOUB,C6,C3,,,,,8420,bmse000410,1
12,covalent,DOUB,C8,C5,,,,,8420,bmse000410,1
13,covalent,SING,C8,C10,,,,,8420,bmse000410,1
14,covalent,SING,C9,C5,,,,,8420,bmse000410,1
15,covalent,SING,C4,C2,,,,,8420,bmse000410,1
16,covalent,SING,C4,H18,,,,,8420,bmse000410,1
17,covalent,SING,C5,H19,,,,,8420,bmse000410,1
18,covalent,SING,C3,C1,,,,,8420,bmse000410,1
19,covalent,SING,C3,H17,,,,,8420,bmse000410,1
20,covalent,DOUB,C2,C1,,,,,8420,bmse000410,1
21,covalent,SING,C2,H16,,,,,8420,bmse000410,1
22,covalent,SING,C1,H15,,,,,8420,bmse000410,1
1,covalent,SING,O8,C6,,,,,8443,bmse000411,1
2,covalent,SING,O8,H22,,,,,8443,bmse000411,1
3,covalent,DOUB,O9,C6,,,,,8443,bmse000411,1
4,covalent,SING,C5,N7,,,,,8443,bmse000411,1
5,covalent,SING,N7,H20,,,,,8443,bmse000411,1
6,covalent,SING,N7,H21,,,,,8443,bmse000411,1
7,covalent,SING,C4,C3,,,,,8443,bmse000411,1
8,covalent,SING,C4,C5,,,,,8443,bmse000411,1
9,covalent,SING,C4,H17,,,,,8443,bmse000411,1
10,covalent,SING,C4,H18,,,,,8443,bmse000411,1
11,covalent,SING,C3,C2,,,,,8443,bmse000411,1
12,covalent,SING,C3,H15,,,,,8443,bmse000411,1
13,covalent,SING,C3,H16,,,,,8443,bmse000411,1
14,covalent,SING,C5,C6,,,,,8443,bmse000411,1
15,covalent,SING,C5,H19,,,,,8443,bmse000411,1
16,covalent,SING,C2,C1,,,,,8443,bmse000411,1
17,covalent,SING,C2,H13,,,,,8443,bmse000411,1
18,covalent,SING,C2,H14,,,,,8443,bmse000411,1
19,covalent,SING,C1,H12,,,,,8443,bmse000411,1
20,covalent,SING,C1,H11,,,,,8443,bmse000411,1
21,covalent,SING,C1,H10,,,,,8443,bmse000411,1
1,covalent,SING,O11,C8,,,,,8465,bmse000412,1
2,covalent,SING,O11,C9,,,,,8465,bmse000412,1
3,covalent,DOUB,O10,C9,,,,,8465,bmse000412,1
4,covalent,SING,C5,C7,,,,,8465,bmse000412,1
5,covalent,SING,C5,C6,,,,,8465,bmse000412,1
6,covalent,SING,C5,H16,,,,,8465,bmse000412,1
7,covalent,SING,C5,H17,,,,,8465,bmse000412,1
8,covalent,SING,C7,C8,,,,,8465,bmse000412,1
9,covalent,DOUB,C7,C3,,,,,8465,bmse000412,1
10,covalent,SING,C6,C9,,,,,8465,bmse000412,1
11,covalent,SING,C6,H18,,,,,8465,bmse000412,1
12,covalent,SING,C6,H19,,,,,8465,bmse000412,1
13,covalent,DOUB,C8,C4,,,,,8465,bmse000412,1
14,covalent,SING,C3,C1,,,,,8465,bmse000412,1
15,covalent,SING,C3,H14,,,,,8465,bmse000412,1
16,covalent,SING,C4,C2,,,,,8465,bmse000412,1
17,covalent,SING,C4,H15,,,,,8465,bmse000412,1
18,covalent,DOUB,C1,C2,,,,,8465,bmse000412,1
19,covalent,SING,C1,H12,,,,,8465,bmse000412,1
20,covalent,SING,C2,H13,,,,,8465,bmse000412,1
1,covalent,SING,O10,C6,,,,,8488,bmse000413,1
2,covalent,SING,O10,H21,,,,,8488,bmse000413,1
3,covalent,SING,O11,C9,,,,,8488,bmse000413,1
4,covalent,SING,O11,H22,,,,,8488,bmse000413,1
5,covalent,DOUB,O12,C9,,,,,8488,bmse000413,1
6,covalent,SING,C8,C7,,,,,8488,bmse000413,1
7,covalent,SING,C8,C6,,,,,8488,bmse000413,1
8,covalent,SING,C8,C9,,,,,8488,bmse000413,1
9,covalent,SING,C8,H20,,,,,8488,bmse000413,1
10,covalent,DOUB,C7,C4,,,,,8488,bmse000413,1
11,covalent,SING,C7,C5,,,,,8488,bmse000413,1
12,covalent,SING,C6,H18,,,,,8488,bmse000413,1
13,covalent,SING,C6,H19,,,,,8488,bmse000413,1
14,covalent,SING,C4,C2,,,,,8488,bmse000413,1
15,covalent,SING,C4,H16,,,,,8488,bmse000413,1
16,covalent,DOUB,C5,C3,,,,,8488,bmse000413,1
17,covalent,SING,C5,H17,,,,,8488,bmse000413,1
18,covalent,DOUB,C2,C1,,,,,8488,bmse000413,1
19,covalent,SING,C2,H14,,,,,8488,bmse000413,1
20,covalent,SING,C3,C1,,,,,8488,bmse000413,1
21,covalent,SING,C3,H15,,,,,8488,bmse000413,1
22,covalent,SING,C1,H13,,,,,8488,bmse000413,1
1,covalent,SING,O9,C8,,,,,8510,bmse000414,1
2,covalent,SING,O9,H18,,,,,8510,bmse000414,1
3,covalent,DOUB,O10,C8,,,,,8510,bmse000414,1
4,covalent,DOUB,C6,C2,,,,,8510,bmse000414,1
5,covalent,SING,C6,C3,,,,,8510,bmse000414,1
6,covalent,SING,C6,C1,,,,,8510,bmse000414,1
7,covalent,DOUB,C7,C4,,,,,8510,bmse000414,1
8,covalent,SING,C7,C5,,,,,8510,bmse000414,1
9,covalent,SING,C7,C8,,,,,8510,bmse000414,1
10,covalent,SING,C2,C4,,,,,8510,bmse000414,1
11,covalent,SING,C2,H14,,,,,8510,bmse000414,1
12,covalent,DOUB,C3,C5,,,,,8510,bmse000414,1
13,covalent,SING,C3,H15,,,,,8510,bmse000414,1
14,covalent,SING,C4,H16,,,,,8510,bmse000414,1
15,covalent,SING,C5,H17,,,,,8510,bmse000414,1
16,covalent,SING,C1,H12,,,,,8510,bmse000414,1
17,covalent,SING,C1,H11,,,,,8510,bmse000414,1
18,covalent,SING,C1,H13,,,,,8510,bmse000414,1
1,covalent,SING,O7,C5,,,,,8532,bmse000415,1
2,covalent,SING,O7,H13,,,,,8532,bmse000415,1
3,covalent,SING,O8,C6,,,,,8532,bmse000415,1
4,covalent,SING,O8,H14,,,,,8532,bmse000415,1
5,covalent,DOUB,C5,C4,,,,,8532,bmse000415,1
6,covalent,SING,C5,C2,,,,,8532,bmse000415,1
7,covalent,SING,C6,C4,,,,,8532,bmse000415,1
8,covalent,DOUB,C6,C3,,,,,8532,bmse000415,1
9,covalent,SING,C4,H12,,,,,8532,bmse000415,1
10,covalent,DOUB,C2,C1,,,,,8532,bmse000415,1
11,covalent,SING,C2,H10,,,,,8532,bmse000415,1
12,covalent,SING,C3,C1,,,,,8532,bmse000415,1
13,covalent,SING,C3,H11,,,,,8532,bmse000415,1
14,covalent,SING,C1,H9,,,,,8532,bmse000415,1
1,covalent,SING,O5,C3,,,,,8554,bmse000416,1
2,covalent,SING,O5,H9,,,,,8554,bmse000416,1
3,covalent,SING,O7,C4,,,,,8554,bmse000416,1
4,covalent,SING,O7,H10,,,,,8554,bmse000416,1
5,covalent,DOUB,O6,C3,,,,,8554,bmse000416,1
6,covalent,DOUB,O8,C4,,,,,8554,bmse000416,1
7,covalent,SING,C3,C1,,,,,8554,bmse000416,1
8,covalent,SING,C4,C2,,,,,8554,bmse000416,1
9,covalent,TRIP,C1,C2,,,,,8554,bmse000416,1
1,covalent,SING,O12,C10,,,,,8572,bmse000417,1
2,covalent,SING,O12,H20,,,,,8572,bmse000417,1
3,covalent,DOUB,O13,C10,,,,,8572,bmse000417,1
4,covalent,SING,N11,C8,,,,,8572,bmse000417,1
5,covalent,DOUB,N11,C9,,,,,8572,bmse000417,1
6,covalent,SING,C7,C8,,,,,8572,bmse000417,1
7,covalent,SING,C7,C5,,,,,8572,bmse000417,1
8,covalent,DOUB,C7,C3,,,,,8572,bmse000417,1
9,covalent,DOUB,C8,C4,,,,,8572,bmse000417,1
10,covalent,DOUB,C5,C6,,,,,8572,bmse000417,1
11,covalent,SING,C5,H18,,,,,8572,bmse000417,1
12,covalent,SING,C3,C1,,,,,8572,bmse000417,1
13,covalent,SING,C3,H16,,,,,8572,bmse000417,1
14,covalent,SING,C4,C2,,,,,8572,bmse000417,1
15,covalent,SING,C4,H17,,,,,8572,bmse000417,1
16,covalent,SING,C9,C6,,,,,8572,bmse000417,1
17,covalent,SING,C9,C10,,,,,8572,bmse000417,1
18,covalent,SING,C6,H19,,,,,8572,bmse000417,1
19,covalent,DOUB,C1,C2,,,,,8572,bmse000417,1
20,covalent,SING,C1,H14,,,,,8572,bmse000417,1
21,covalent,SING,C2,H15,,,,,8572,bmse000417,1
1,covalent,SING,P8,O5,,,,,8591,bmse000418,1
2,covalent,SING,P8,O6,,,,,8591,bmse000418,1
3,covalent,DOUB,P8,O7,,,,,8591,bmse000418,1
4,covalent,SING,P8,C1,,,,,8591,bmse000418,1
5,covalent,SING,O5,H12,,,,,8591,bmse000418,1
6,covalent,SING,O6,H13,,,,,8591,bmse000418,1
7,covalent,SING,O3,C2,,,,,8591,bmse000418,1
8,covalent,SING,O3,H11,,,,,8591,bmse000418,1
9,covalent,DOUB,O4,C2,,,,,8591,bmse000418,1
10,covalent,SING,C1,C2,,,,,8591,bmse000418,1
11,covalent,SING,C1,H9,,,,,8591,bmse000418,1
12,covalent,SING,C1,H10,,,,,8591,bmse000418,1
1,covalent,SING,O7,C5,,,,,8606,bmse000419,1
2,covalent,SING,O7,H19,,,,,8606,bmse000419,1
3,covalent,DOUB,O8,C5,,,,,8606,bmse000419,1
4,covalent,SING,N6,C4,,,,,8606,bmse000419,1
5,covalent,SING,N6,H17,,,,,8606,bmse000419,1
6,covalent,SING,N6,H18,,,,,8606,bmse000419,1
7,covalent,SING,C1,C2,,,,,8606,bmse000419,1
8,covalent,SING,C1,C3,,,,,8606,bmse000419,1
9,covalent,SING,C1,H9,,,,,8606,bmse000419,1
10,covalent,SING,C1,H10,,,,,8606,bmse000419,1
11,covalent,SING,C2,C4,,,,,8606,bmse000419,1
12,covalent,SING,C2,H11,,,,,8606,bmse000419,1
13,covalent,SING,C2,H12,,,,,8606,bmse000419,1
14,covalent,SING,C3,C5,,,,,8606,bmse000419,1
15,covalent,SING,C3,H13,,,,,8606,bmse000419,1
16,covalent,SING,C3,H14,,,,,8606,bmse000419,1
17,covalent,SING,C4,H15,,,,,8606,bmse000419,1
18,covalent,SING,C4,H16,,,,,8606,bmse000419,1
1,covalent,SING,Cl7,C4,,,,,8622,bmse000420,1
2,covalent,SING,O9,C6,,,,,8622,bmse000420,1
3,covalent,SING,O9,H14,,,,,8622,bmse000420,1
4,covalent,SING,O8,C5,,,,,8622,bmse000420,1
5,covalent,SING,O8,H13,,,,,8622,bmse000420,1
6,covalent,DOUB,C6,C5,,,,,8622,bmse000420,1
7,covalent,SING,C6,C3,,,,,8622,bmse000420,1
8,covalent,SING,C5,C2,,,,,8622,bmse000420,1
9,covalent,DOUB,C3,C4,,,,,8622,bmse000420,1
10,covalent,SING,C3,H12,,,,,8622,bmse000420,1
11,covalent,DOUB,C2,C1,,,,,8622,bmse000420,1
12,covalent,SING,C2,H11,,,,,8622,bmse000420,1
13,covalent,SING,C4,C1,,,,,8622,bmse000420,1
14,covalent,SING,C1,H10,,,,,8622,bmse000420,1
1,covalent,DOUB,O9,C5,,,,,8645,bmse000421,1
2,covalent,SING,N8,C4,,,,,8645,bmse000421,1
3,covalent,SING,N8,C5,,,,,8645,bmse000421,1
4,covalent,SING,N8,H16,,,,,8645,bmse000421,1
5,covalent,SING,N6,C4,,,,,8645,bmse000421,1
6,covalent,SING,N6,H14,,,,,8645,bmse000421,1
7,covalent,SING,N6,H15,,,,,8645,bmse000421,1
8,covalent,DOUB,N7,C2,,,,,8645,bmse000421,1
9,covalent,SING,N7,C5,,,,,8645,bmse000421,1
10,covalent,DOUB,C3,C4,,,,,8645,bmse000421,1
11,covalent,SING,C3,C1,,,,,8645,bmse000421,1
12,covalent,SING,C3,C2,,,,,8645,bmse000421,1
13,covalent,SING,C1,H12,,,,,8645,bmse000421,1
14,covalent,SING,C1,H11,,,,,8645,bmse000421,1
15,covalent,SING,C1,H10,,,,,8645,bmse000421,1
16,covalent,SING,C2,H13,,,,,8645,bmse000421,1
1,covalent,SING,O13,C10,,,,,8668,bmse000422,1
2,covalent,SING,O13,C1,,,,,8668,bmse000422,1
3,covalent,SING,O12,C9,,,,,8668,bmse000422,1
4,covalent,SING,O12,H23,,,,,8668,bmse000422,1
5,covalent,DOUB,O11,C6,,,,,8668,bmse000422,1
6,covalent,DOUB,C8,C7,,,,,8668,bmse000422,1
7,covalent,SING,C8,C4,,,,,8668,bmse000422,1
8,covalent,SING,C8,C3,,,,,8668,bmse000422,1
9,covalent,SING,C10,C7,,,,,8668,bmse000422,1
10,covalent,DOUB,C10,C9,,,,,8668,bmse000422,1
11,covalent,SING,C7,H22,,,,,8668,bmse000422,1
12,covalent,SING,C9,C5,,,,,8668,bmse000422,1
13,covalent,DOUB,C4,C5,,,,,8668,bmse000422,1
14,covalent,SING,C4,H19,,,,,8668,bmse000422,1
15,covalent,SING,C5,H20,,,,,8668,bmse000422,1
16,covalent,DOUB,C3,C2,,,,,8668,bmse000422,1
17,covalent,SING,C3,H18,,,,,8668,bmse000422,1
18,covalent,SING,C2,C6,,,,,8668,bmse000422,1
19,covalent,SING,C2,H17,,,,,8668,bmse000422,1
20,covalent,SING,C1,H16,,,,,8668,bmse000422,1
21,covalent,SING,C1,H15,,,,,8668,bmse000422,1
22,covalent,SING,C1,H14,,,,,8668,bmse000422,1
23,covalent,SING,C6,H21,,,,,8668,bmse000422,1
1,covalent,SING,O11,C6,,,,,8691,bmse000423,1
2,covalent,SING,O11,H21,,,,,8691,bmse000423,1
3,covalent,SING,O9,C5,,,,,8691,bmse000423,1
4,covalent,SING,O9,H20,,,,,8691,bmse000423,1
5,covalent,DOUB,O12,C6,,,,,8691,bmse000423,1
6,covalent,DOUB,O10,C5,,,,,8691,bmse000423,1
7,covalent,DOUB,O8,C3,,,,,8691,bmse000423,1
8,covalent,SING,C4,N7,,,,,8691,bmse000423,1
9,covalent,SING,N7,C3,,,,,8691,bmse000423,1
10,covalent,SING,N7,H19,,,,,8691,bmse000423,1
11,covalent,SING,C4,C2,,,,,8691,bmse000423,1
12,covalent,SING,C4,C6,,,,,8691,bmse000423,1
13,covalent,SING,C4,H18,,,,,8691,bmse000423,1
14,covalent,SING,C2,C5,,,,,8691,bmse000423,1
15,covalent,SING,C2,H16,,,,,8691,bmse000423,1
16,covalent,SING,C2,H17,,,,,8691,bmse000423,1
17,covalent,SING,C3,C1,,,,,8691,bmse000423,1
18,covalent,SING,C1,H14,,,,,8691,bmse000423,1
19,covalent,SING,C1,H15,,,,,8691,bmse000423,1
20,covalent,SING,C1,H13,,,,,8691,bmse000423,1
1,covalent,SING,O7,C5,,,,,8714,bmse000424,1
2,covalent,SING,O7,H19,,,,,8714,bmse000424,1
3,covalent,SING,O9,C6,,,,,8714,bmse000424,1
4,covalent,SING,O9,H20,,,,,8714,bmse000424,1
5,covalent,DOUB,O8,C5,,,,,8714,bmse000424,1
6,covalent,DOUB,O10,C6,,,,,8714,bmse000424,1
7,covalent,SING,C1,C2,,,,,8714,bmse000424,1
8,covalent,SING,C1,C3,,,,,8714,bmse000424,1
9,covalent,SING,C1,H11,,,,,8714,bmse000424,1
10,covalent,SING,C1,H12,,,,,8714,bmse000424,1
11,covalent,SING,C2,C4,,,,,8714,bmse000424,1
12,covalent,SING,C2,H13,,,,,8714,bmse000424,1
13,covalent,SING,C2,H14,,,,,8714,bmse000424,1
14,covalent,SING,C3,C5,,,,,8714,bmse000424,1
15,covalent,SING,C3,H15,,,,,8714,bmse000424,1
16,covalent,SING,C3,H16,,,,,8714,bmse000424,1
17,covalent,SING,C4,C6,,,,,8714,bmse000424,1
18,covalent,SING,C4,H17,,,,,8714,bmse000424,1
19,covalent,SING,C4,H18,,,,,8714,bmse000424,1
1,covalent,DOUB,O7,C3,,,,,8735,bmse000425,1
2,covalent,DOUB,O8,C4,,,,,8735,bmse000425,1
3,covalent,SING,N5,C2,,,,,8735,bmse000425,1
4,covalent,SING,N5,C4,,,,,8735,bmse000425,1
5,covalent,SING,N5,H13,,,,,8735,bmse000425,1
6,covalent,SING,N6,C3,,,,,8735,bmse000425,1
7,covalent,SING,N6,C4,,,,,8735,bmse000425,1
8,covalent,SING,N6,H14,,,,,8735,bmse000425,1
9,covalent,SING,C2,C1,,,,,8735,bmse000425,1
10,covalent,SING,C2,H11,,,,,8735,bmse000425,1
11,covalent,SING,C2,H12,,,,,8735,bmse000425,1
12,covalent,SING,C1,C3,,,,,8735,bmse000425,1
13,covalent,SING,C1,H9,,,,,8735,bmse000425,1
14,covalent,SING,C1,H10,,,,,8735,bmse000425,1
1,covalent,SING,O5,N4,,,,,8756,bmse000426,1
2,covalent,SING,N4,C1,,,,,8756,bmse000426,1
3,covalent,SING,N4,C2,,,,,8756,bmse000426,1
4,covalent,SING,N4,C3,,,,,8756,bmse000426,1
5,covalent,SING,C1,H6,,,,,8756,bmse000426,1
6,covalent,SING,C1,H7,,,,,8756,bmse000426,1
7,covalent,SING,C1,H8,,,,,8756,bmse000426,1
8,covalent,SING,C2,H10,,,,,8756,bmse000426,1
9,covalent,SING,C2,H11,,,,,8756,bmse000426,1
10,covalent,SING,C2,H9,,,,,8756,bmse000426,1
11,covalent,SING,C3,H14,,,,,8756,bmse000426,1
12,covalent,SING,C3,H13,,,,,8756,bmse000426,1
13,covalent,SING,C3,H12,,,,,8756,bmse000426,1
1,covalent,DOUB,O9,C7,,,,,8777,bmse000427,1
2,covalent,SING,C8,C6,,,,,8777,bmse000427,1
3,covalent,DOUB,C8,C4,,,,,8777,bmse000427,1
4,covalent,SING,C8,C5,,,,,8777,bmse000427,1
5,covalent,SING,C6,C7,,,,,8777,bmse000427,1
6,covalent,SING,C6,H15,,,,,8777,bmse000427,1
7,covalent,SING,C6,H16,,,,,8777,bmse000427,1
8,covalent,SING,C4,C2,,,,,8777,bmse000427,1
9,covalent,SING,C4,H13,,,,,8777,bmse000427,1
10,covalent,DOUB,C5,C3,,,,,8777,bmse000427,1
11,covalent,SING,C5,H14,,,,,8777,bmse000427,1
12,covalent,DOUB,C2,C1,,,,,8777,bmse000427,1
13,covalent,SING,C2,H11,,,,,8777,bmse000427,1
14,covalent,SING,C3,C1,,,,,8777,bmse000427,1
15,covalent,SING,C3,H12,,,,,8777,bmse000427,1
16,covalent,SING,C1,H10,,,,,8777,bmse000427,1
17,covalent,SING,C7,H17,,,,,8777,bmse000427,1
1,covalent,SING,C5,O10,,,,,8792,bmse000428,1
2,covalent,SING,O10,H18,,,,,8792,bmse000428,1
3,covalent,SING,O8,C4,,,,,8792,bmse000428,1
4,covalent,SING,O8,H17,,,,,8792,bmse000428,1
5,covalent,DOUB,O9,C4,,,,,8792,bmse000428,1
6,covalent,SING,O6,C3,,,,,8792,bmse000428,1
7,covalent,SING,O6,H16,,,,,8792,bmse000428,1
8,covalent,DOUB,O7,C3,,,,,8792,bmse000428,1
9,covalent,SING,C5,C2,,,,,8792,bmse000428,1
10,covalent,SING,C5,C1,,,,,8792,bmse000428,1
11,covalent,SING,C5,C4,,,,,8792,bmse000428,1
12,covalent,SING,C2,C3,,,,,8792,bmse000428,1
13,covalent,SING,C2,H14,,,,,8792,bmse000428,1
14,covalent,SING,C2,H15,,,,,8792,bmse000428,1
15,covalent,SING,C1,H11,,,,,8792,bmse000428,1
16,covalent,SING,C1,H12,,,,,8792,bmse000428,1
17,covalent,SING,C1,H13,,,,,8792,bmse000428,1
1,covalent,SING,O10,C6,,,,,8813,bmse000429,1
2,covalent,SING,O10,H22,,,,,8813,bmse000429,1
3,covalent,DOUB,O11,C6,,,,,8813,bmse000429,1
4,covalent,SING,O8,C5,,,,,8813,bmse000429,1
5,covalent,SING,O8,H21,,,,,8813,bmse000429,1
6,covalent,DOUB,O9,C5,,,,,8813,bmse000429,1
7,covalent,SING,N7,C4,,,,,8813,bmse000429,1
8,covalent,SING,N7,H19,,,,,8813,bmse000429,1
9,covalent,SING,N7,H20,,,,,8813,bmse000429,1
10,covalent,SING,C2,C1,,,,,8813,bmse000429,1
11,covalent,SING,C2,C4,,,,,8813,bmse000429,1
12,covalent,SING,C2,H14,,,,,8813,bmse000429,1
13,covalent,SING,C2,H15,,,,,8813,bmse000429,1
14,covalent,SING,C1,C3,,,,,8813,bmse000429,1
15,covalent,SING,C1,H12,,,,,8813,bmse000429,1
16,covalent,SING,C1,H13,,,,,8813,bmse000429,1
17,covalent,SING,C4,C6,,,,,8813,bmse000429,1
18,covalent,SING,C4,H18,,,,,8813,bmse000429,1
19,covalent,SING,C3,C5,,,,,8813,bmse000429,1
20,covalent,SING,C3,H16,,,,,8813,bmse000429,1
21,covalent,SING,C3,H17,,,,,8813,bmse000429,1
1,covalent,SING,S8,C2,,,,,8836,bmse000430,1
2,covalent,SING,S8,H17,,,,,8836,bmse000430,1
3,covalent,SING,O6,C4,,,,,8836,bmse000430,1
4,covalent,SING,O6,H16,,,,,8836,bmse000430,1
5,covalent,DOUB,O7,C4,,,,,8836,bmse000430,1
6,covalent,SING,N5,C3,,,,,8836,bmse000430,1
7,covalent,SING,N5,H14,,,,,8836,bmse000430,1
8,covalent,SING,N5,H15,,,,,8836,bmse000430,1
9,covalent,SING,C3,C1,,,,,8836,bmse000430,1
10,covalent,SING,C3,C4,,,,,8836,bmse000430,1
11,covalent,SING,C3,H13,,,,,8836,bmse000430,1
12,covalent,SING,C1,C2,,,,,8836,bmse000430,1
13,covalent,SING,C1,H9,,,,,8836,bmse000430,1
14,covalent,SING,C1,H10,,,,,8836,bmse000430,1
15,covalent,SING,C2,H11,,,,,8836,bmse000430,1
16,covalent,SING,C2,H12,,,,,8836,bmse000430,1
1,covalent,SING,O7,C6,,,,,8858,bmse000431,1
2,covalent,SING,O7,H19,,,,,8858,bmse000431,1
3,covalent,SING,C6,C4,,,,,8858,bmse000431,1
4,covalent,SING,C6,C5,,,,,8858,bmse000431,1
5,covalent,SING,C6,H18,,,,,8858,bmse000431,1
6,covalent,SING,C4,C2,,,,,8858,bmse000431,1
7,covalent,SING,C4,H14,,,,,8858,bmse000431,1
8,covalent,SING,C4,H15,,,,,8858,bmse000431,1
9,covalent,SING,C5,C3,,,,,8858,bmse000431,1
10,covalent,SING,C5,H16,,,,,8858,bmse000431,1
11,covalent,SING,C5,H17,,,,,8858,bmse000431,1
12,covalent,SING,C2,C1,,,,,8858,bmse000431,1
13,covalent,SING,C2,H10,,,,,8858,bmse000431,1
14,covalent,SING,C2,H11,,,,,8858,bmse000431,1
15,covalent,SING,C3,C1,,,,,8858,bmse000431,1
16,covalent,SING,C3,H12,,,,,8858,bmse000431,1
17,covalent,SING,C3,H13,,,,,8858,bmse000431,1
18,covalent,SING,C1,H8,,,,,8858,bmse000431,1
19,covalent,SING,C1,H9,,,,,8858,bmse000431,1
1,covalent,DOUB,N6,C4,,,,,8880,bmse000432,1
2,covalent,SING,N6,C5,,,,,8880,bmse000432,1
3,covalent,DOUB,C1,C2,,,,,8880,bmse000432,1
4,covalent,SING,C1,C3,,,,,8880,bmse000432,1
5,covalent,SING,C1,H7,,,,,8880,bmse000432,1
6,covalent,SING,C2,C4,,,,,8880,bmse000432,1
7,covalent,SING,C2,H8,,,,,8880,bmse000432,1
8,covalent,DOUB,C3,C5,,,,,8880,bmse000432,1
9,covalent,SING,C3,H9,,,,,8880,bmse000432,1
10,covalent,SING,C4,H10,,,,,8880,bmse000432,1
11,covalent,SING,C5,H11,,,,,8880,bmse000432,1
1,covalent,SING,O8,C7,,,,,8902,bmse000433,1
2,covalent,SING,O8,H16,,,,,8902,bmse000433,1
3,covalent,SING,C6,C7,,,,,8902,bmse000433,1
4,covalent,DOUB,C6,C4,,,,,8902,bmse000433,1
5,covalent,SING,C6,C1,,,,,8902,bmse000433,1
6,covalent,DOUB,C7,C5,,,,,8902,bmse000433,1
7,covalent,SING,C4,C2,,,,,8902,bmse000433,1
8,covalent,SING,C4,H14,,,,,8902,bmse000433,1
9,covalent,SING,C1,H10,,,,,8902,bmse000433,1
10,covalent,SING,C1,H11,,,,,8902,bmse000433,1
11,covalent,SING,C1,H9,,,,,8902,bmse000433,1
12,covalent,SING,C5,C3,,,,,8902,bmse000433,1
13,covalent,SING,C5,H15,,,,,8902,bmse000433,1
14,covalent,DOUB,C2,C3,,,,,8902,bmse000433,1
15,covalent,SING,C2,H12,,,,,8902,bmse000433,1
16,covalent,SING,C3,H13,,,,,8902,bmse000433,1
1,covalent,SING,O10,C6,,,,,8924,bmse000434,1
2,covalent,SING,O10,C7,,,,,8924,bmse000434,1
3,covalent,DOUB,O9,C7,,,,,8924,bmse000434,1
4,covalent,SING,N8,C5,,,,,8924,bmse000434,1
5,covalent,SING,N8,C2,,,,,8924,bmse000434,1
6,covalent,SING,N8,C3,,,,,8924,bmse000434,1
7,covalent,SING,N8,C4,,,,,8924,bmse000434,1
8,covalent,SING,C5,C6,,,,,8924,bmse000434,1
9,covalent,SING,C5,H23,,,,,8924,bmse000434,1
10,covalent,SING,C5,H24,,,,,8924,bmse000434,1
11,covalent,SING,C2,H15,,,,,8924,bmse000434,1
12,covalent,SING,C2,H16,,,,,8924,bmse000434,1
13,covalent,SING,C2,H14,,,,,8924,bmse000434,1
14,covalent,SING,C3,H19,,,,,8924,bmse000434,1
15,covalent,SING,C3,H18,,,,,8924,bmse000434,1
16,covalent,SING,C3,H17,,,,,8924,bmse000434,1
17,covalent,SING,C4,H21,,,,,8924,bmse000434,1
18,covalent,SING,C4,H22,,,,,8924,bmse000434,1
19,covalent,SING,C4,H20,,,,,8924,bmse000434,1
20,covalent,SING,C6,H25,,,,,8924,bmse000434,1
21,covalent,SING,C6,H26,,,,,8924,bmse000434,1
22,covalent,SING,C7,C1,,,,,8924,bmse000434,1
23,covalent,SING,C1,H12,,,,,8924,bmse000434,1
24,covalent,SING,C1,H13,,,,,8924,bmse000434,1
25,covalent,SING,C1,H11,,,,,8924,bmse000434,1
1,covalent,SING,O8,C5,,,,,8945,bmse000435,1
2,covalent,SING,O8,H15,,,,,8945,bmse000435,1
3,covalent,DOUB,O9,C5,,,,,8945,bmse000435,1
4,covalent,SING,O6,C4,,,,,8945,bmse000435,1
5,covalent,SING,O6,H14,,,,,8945,bmse000435,1
6,covalent,DOUB,O7,C4,,,,,8945,bmse000435,1
7,covalent,SING,C3,C1,,,,,8945,bmse000435,1
8,covalent,SING,C3,C5,,,,,8945,bmse000435,1
9,covalent,SING,C3,H12,,,,,8945,bmse000435,1
10,covalent,SING,C3,H13,,,,,8945,bmse000435,1
11,covalent,DOUB,C1,C2,,,,,8945,bmse000435,1
12,covalent,SING,C1,H10,,,,,8945,bmse000435,1
13,covalent,SING,C2,C4,,,,,8945,bmse000435,1
14,covalent,SING,C2,H11,,,,,8945,bmse000435,1
1,covalent,SING,O9,C7,,,,,8967,bmse000436,1
2,covalent,SING,O9,C1,,,,,8967,bmse000436,1
3,covalent,SING,O8,C6,,,,,8967,bmse000436,1
4,covalent,SING,O8,H17,,,,,8967,bmse000436,1
5,covalent,SING,C7,C6,,,,,8967,bmse000436,1
6,covalent,DOUB,C7,C5,,,,,8967,bmse000436,1
7,covalent,DOUB,C6,C4,,,,,8967,bmse000436,1
8,covalent,SING,C5,C3,,,,,8967,bmse000436,1
9,covalent,SING,C5,H16,,,,,8967,bmse000436,1
10,covalent,SING,C4,C2,,,,,8967,bmse000436,1
11,covalent,SING,C4,H15,,,,,8967,bmse000436,1
12,covalent,DOUB,C3,C2,,,,,8967,bmse000436,1
13,covalent,SING,C3,H14,,,,,8967,bmse000436,1
14,covalent,SING,C2,H13,,,,,8967,bmse000436,1
15,covalent,SING,C1,H12,,,,,8967,bmse000436,1
16,covalent,SING,C1,H10,,,,,8967,bmse000436,1
17,covalent,SING,C1,H11,,,,,8967,bmse000436,1
1,covalent,DOUB,O9,C2,,,,,8989,bmse000437,1
2,covalent,DOUB,O11,C4,,,,,8989,bmse000437,1
3,covalent,DOUB,O10,C3,,,,,8989,bmse000437,1
4,covalent,SING,N7,C1,,,,,8989,bmse000437,1
5,covalent,SING,N7,C4,,,,,8989,bmse000437,1
6,covalent,SING,N7,H16,,,,,8989,bmse000437,1
7,covalent,SING,N6,C1,,,,,8989,bmse000437,1
8,covalent,SING,N6,C3,,,,,8989,bmse000437,1
9,covalent,SING,N6,H15,,,,,8989,bmse000437,1
10,covalent,SING,N8,C2,,,,,8989,bmse000437,1
11,covalent,SING,N8,C4,,,,,8989,bmse000437,1
12,covalent,SING,N8,H17,,,,,8989,bmse000437,1
13,covalent,SING,N5,C3,,,,,8989,bmse000437,1
14,covalent,SING,N5,H13,,,,,8989,bmse000437,1
15,covalent,SING,N5,H14,,,,,8989,bmse000437,1
16,covalent,SING,C1,C2,,,,,8989,bmse000437,1
17,covalent,SING,C1,H12,,,,,8989,bmse000437,1
1,covalent,SING,Cl8,C6,,,,,9011,bmse000438,1
2,covalent,SING,O9,C7,,,,,9011,bmse000438,1
3,covalent,SING,O9,H15,,,,,9011,bmse000438,1
4,covalent,DOUB,O10,C7,,,,,9011,bmse000438,1
5,covalent,DOUB,C5,C1,,,,,9011,bmse000438,1
6,covalent,SING,C5,C2,,,,,9011,bmse000438,1
7,covalent,SING,C5,C7,,,,,9011,bmse000438,1
8,covalent,SING,C1,C3,,,,,9011,bmse000438,1
9,covalent,SING,C1,H11,,,,,9011,bmse000438,1
10,covalent,DOUB,C2,C4,,,,,9011,bmse000438,1
11,covalent,SING,C2,H12,,,,,9011,bmse000438,1
12,covalent,DOUB,C3,C6,,,,,9011,bmse000438,1
13,covalent,SING,C3,H13,,,,,9011,bmse000438,1
14,covalent,SING,C4,C6,,,,,9011,bmse000438,1
15,covalent,SING,C4,H14,,,,,9011,bmse000438,1
1,covalent,SING,O5,C4,,,,,9034,bmse000439,1
2,covalent,SING,O5,H14,,,,,9034,bmse000439,1
3,covalent,DOUB,O6,C4,,,,,9034,bmse000439,1
4,covalent,SING,C3,C1,,,,,9034,bmse000439,1
5,covalent,SING,C3,C2,,,,,9034,bmse000439,1
6,covalent,SING,C3,C4,,,,,9034,bmse000439,1
7,covalent,SING,C3,H13,,,,,9034,bmse000439,1
8,covalent,SING,C1,H9,,,,,9034,bmse000439,1
9,covalent,SING,C1,H8,,,,,9034,bmse000439,1
10,covalent,SING,C1,H7,,,,,9034,bmse000439,1
11,covalent,SING,C2,H12,,,,,9034,bmse000439,1
12,covalent,SING,C2,H11,,,,,9034,bmse000439,1
13,covalent,SING,C2,H10,,,,,9034,bmse000439,1
1,covalent,SING,C4,O10,,,,,9056,bmse000440,1
2,covalent,SING,O10,H24,,,,,9056,bmse000440,1
3,covalent,SING,C5,O11,,,,,9056,bmse000440,1
4,covalent,SING,O11,H25,,,,,9056,bmse000440,1
5,covalent,SING,C2,O9,,,,,9056,bmse000440,1
6,covalent,SING,O9,H23,,,,,9056,bmse000440,1
7,covalent,SING,O8,C1,,,,,9056,bmse000440,1
8,covalent,SING,O8,H22,,,,,9056,bmse000440,1
9,covalent,SING,O12,C6,,,,,9056,bmse000440,1
10,covalent,SING,O12,H26,,,,,9056,bmse000440,1
11,covalent,DOUB,O13,C6,,,,,9056,bmse000440,1
12,covalent,SING,C3,N7,,,,,9056,bmse000440,1
13,covalent,SING,N7,H20,,,,,9056,bmse000440,1
14,covalent,SING,N7,H21,,,,,9056,bmse000440,1
15,covalent,SING,C4,C5,,,,,9056,bmse000440,1
16,covalent,SING,C4,C2,,,,,9056,bmse000440,1
17,covalent,SING,C4,H18,,,,,9056,bmse000440,1
18,covalent,SING,C5,C3,,,,,9056,bmse000440,1
19,covalent,SING,C5,H19,,,,,9056,bmse000440,1
20,covalent,SING,C2,C1,,,,,9056,bmse000440,1
21,covalent,SING,C2,H16,,,,,9056,bmse000440,1
22,covalent,SING,C3,C6,,,,,9056,bmse000440,1
23,covalent,SING,C3,H17,,,,,9056,bmse000440,1
24,covalent,SING,C1,H14,,,,,9056,bmse000440,1
25,covalent,SING,C1,H15,,,,,9056,bmse000440,1
1,covalent,SING,O10,C8,,,,,9078,bmse000441,1
2,covalent,SING,O10,H17,,,,,9078,bmse000441,1
3,covalent,TRIP,N9,C6,,,,,9078,bmse000441,1
4,covalent,DOUB,C7,C1,,,,,9078,bmse000441,1
5,covalent,SING,C7,C2,,,,,9078,bmse000441,1
6,covalent,SING,C7,C5,,,,,9078,bmse000441,1
7,covalent,SING,C1,C3,,,,,9078,bmse000441,1
8,covalent,SING,C1,H11,,,,,9078,bmse000441,1
9,covalent,DOUB,C2,C4,,,,,9078,bmse000441,1
10,covalent,SING,C2,H12,,,,,9078,bmse000441,1
11,covalent,SING,C5,C6,,,,,9078,bmse000441,1
12,covalent,SING,C5,H15,,,,,9078,bmse000441,1
13,covalent,SING,C5,H16,,,,,9078,bmse000441,1
14,covalent,DOUB,C3,C8,,,,,9078,bmse000441,1
15,covalent,SING,C3,H13,,,,,9078,bmse000441,1
16,covalent,SING,C4,C8,,,,,9078,bmse000441,1
17,covalent,SING,C4,H14,,,,,9078,bmse000441,1
1,covalent,SING,O11,C6,,,,,9100,bmse000442,1
2,covalent,SING,O11,H28,,,,,9100,bmse000442,1
3,covalent,DOUB,O12,C6,,,,,9100,bmse000442,1
4,covalent,DOUB,O13,C7,,,,,9100,bmse000442,1
5,covalent,SING,C5,N8,,,,,9100,bmse000442,1
6,covalent,SING,N8,H23,,,,,9100,bmse000442,1
7,covalent,SING,N8,H24,,,,,9100,bmse000442,1
8,covalent,SING,N10,C4,,,,,9100,bmse000442,1
9,covalent,SING,N10,C7,,,,,9100,bmse000442,1
10,covalent,SING,N10,H27,,,,,9100,bmse000442,1
11,covalent,SING,N9,C7,,,,,9100,bmse000442,1
12,covalent,SING,N9,H25,,,,,9100,bmse000442,1
13,covalent,SING,N9,H26,,,,,9100,bmse000442,1
14,covalent,SING,C1,C3,,,,,9100,bmse000442,1
15,covalent,SING,C1,C2,,,,,9100,bmse000442,1
16,covalent,SING,C1,H14,,,,,9100,bmse000442,1
17,covalent,SING,C1,H15,,,,,9100,bmse000442,1
18,covalent,SING,C3,C5,,,,,9100,bmse000442,1
19,covalent,SING,C3,H18,,,,,9100,bmse000442,1
20,covalent,SING,C3,H19,,,,,9100,bmse000442,1
21,covalent,SING,C2,C4,,,,,9100,bmse000442,1
22,covalent,SING,C2,H16,,,,,9100,bmse000442,1
23,covalent,SING,C2,H17,,,,,9100,bmse000442,1
24,covalent,SING,C5,C6,,,,,9100,bmse000442,1
25,covalent,SING,C5,H22,,,,,9100,bmse000442,1
26,covalent,SING,C4,H20,,,,,9100,bmse000442,1
27,covalent,SING,C4,H21,,,,,9100,bmse000442,1
1,covalent,SING,O8,C2,,,,,9122,bmse000443,1
2,covalent,SING,O8,H16,,,,,9122,bmse000443,1
3,covalent,DOUB,O9,C4,,,,,9122,bmse000443,1
4,covalent,DOUB,O10,C5,,,,,9122,bmse000443,1
5,covalent,SING,N7,C4,,,,,9122,bmse000443,1
6,covalent,SING,N7,C5,,,,,9122,bmse000443,1
7,covalent,SING,N7,H15,,,,,9122,bmse000443,1
8,covalent,SING,N6,C1,,,,,9122,bmse000443,1
9,covalent,SING,N6,C5,,,,,9122,bmse000443,1
10,covalent,SING,N6,H14,,,,,9122,bmse000443,1
11,covalent,SING,C3,C4,,,,,9122,bmse000443,1
12,covalent,DOUB,C3,C1,,,,,9122,bmse000443,1
13,covalent,SING,C3,C2,,,,,9122,bmse000443,1
14,covalent,SING,C1,H11,,,,,9122,bmse000443,1
15,covalent,SING,C2,H12,,,,,9122,bmse000443,1
16,covalent,SING,C2,H13,,,,,9122,bmse000443,1
1,covalent,SING,O11,C8,,,,,9145,bmse000444,1
2,covalent,SING,O11,C1,,,,,9145,bmse000444,1
3,covalent,SING,O10,C7,,,,,9145,bmse000444,1
4,covalent,SING,O10,H21,,,,,9145,bmse000444,1
5,covalent,SING,O9,C5,,,,,9145,bmse000444,1
6,covalent,SING,O9,H20,,,,,9145,bmse000444,1
7,covalent,DOUB,C6,C4,,,,,9145,bmse000444,1
8,covalent,SING,C6,C2,,,,,9145,bmse000444,1
9,covalent,SING,C6,C5,,,,,9145,bmse000444,1
10,covalent,SING,C4,C8,,,,,9145,bmse000444,1
11,covalent,SING,C4,H17,,,,,9145,bmse000444,1
12,covalent,DOUB,C8,C7,,,,,9145,bmse000444,1
13,covalent,DOUB,C2,C3,,,,,9145,bmse000444,1
14,covalent,SING,C2,H15,,,,,9145,bmse000444,1
15,covalent,SING,C7,C3,,,,,9145,bmse000444,1
16,covalent,SING,C5,H18,,,,,9145,bmse000444,1
17,covalent,SING,C5,H19,,,,,9145,bmse000444,1
18,covalent,SING,C3,H16,,,,,9145,bmse000444,1
19,covalent,SING,C1,H14,,,,,9145,bmse000444,1
20,covalent,SING,C1,H13,,,,,9145,bmse000444,1
21,covalent,SING,C1,H12,,,,,9145,bmse000444,1
1,covalent,SING,C7,O13,,,,,9164,bmse000445,1
2,covalent,SING,O13,H33,,,,,9164,bmse000445,1
3,covalent,SING,O12,C6,,,,,9164,bmse000445,1
4,covalent,SING,O12,H32,,,,,9164,bmse000445,1
5,covalent,DOUB,O14,C8,,,,,9164,bmse000445,1
6,covalent,SING,O11,C5,,,,,9164,bmse000445,1
7,covalent,SING,O11,H31,,,,,9164,bmse000445,1
8,covalent,SING,N10,C8,,,,,9164,bmse000445,1
9,covalent,SING,N10,C4,,,,,9164,bmse000445,1
10,covalent,SING,N10,H30,,,,,9164,bmse000445,1
11,covalent,SING,C9,C7,,,,,9164,bmse000445,1
12,covalent,SING,C9,C6,,,,,9164,bmse000445,1
13,covalent,SING,C9,C1,,,,,9164,bmse000445,1
14,covalent,SING,C9,C2,,,,,9164,bmse000445,1
15,covalent,SING,C7,C8,,,,,9164,bmse000445,1
16,covalent,SING,C7,H29,,,,,9164,bmse000445,1
17,covalent,SING,C6,H27,,,,,9164,bmse000445,1
18,covalent,SING,C6,H28,,,,,9164,bmse000445,1
19,covalent,SING,C1,H17,,,,,9164,bmse000445,1
20,covalent,SING,C1,H16,,,,,9164,bmse000445,1
21,covalent,SING,C1,H15,,,,,9164,bmse000445,1
22,covalent,SING,C2,H19,,,,,9164,bmse000445,1
23,covalent,SING,C2,H20,,,,,9164,bmse000445,1
24,covalent,SING,C2,H18,,,,,9164,bmse000445,1
25,covalent,SING,C4,C3,,,,,9164,bmse000445,1
26,covalent,SING,C4,H23,,,,,9164,bmse000445,1
27,covalent,SING,C4,H24,,,,,9164,bmse000445,1
28,covalent,SING,C3,C5,,,,,9164,bmse000445,1
29,covalent,SING,C3,H21,,,,,9164,bmse000445,1
30,covalent,SING,C3,H22,,,,,9164,bmse000445,1
31,covalent,SING,C5,H25,,,,,9164,bmse000445,1
32,covalent,SING,C5,H26,,,,,9164,bmse000445,1
1,covalent,SING,O4,C3,,,,,9186,bmse000446,1
2,covalent,SING,O4,H12,,,,,9186,bmse000446,1
3,covalent,SING,C2,C3,,,,,9186,bmse000446,1
4,covalent,SING,C2,C1,,,,,9186,bmse000446,1
5,covalent,SING,C2,H8,,,,,9186,bmse000446,1
6,covalent,SING,C2,H9,,,,,9186,bmse000446,1
7,covalent,SING,C3,H10,,,,,9186,bmse000446,1
8,covalent,SING,C3,H11,,,,,9186,bmse000446,1
9,covalent,SING,C1,H7,,,,,9186,bmse000446,1
10,covalent,SING,C1,H5,,,,,9186,bmse000446,1
11,covalent,SING,C1,H6,,,,,9186,bmse000446,1
1,covalent,SING,O5,C4,,,,,9207,bmse000447,1
2,covalent,SING,O5,H15,,,,,9207,bmse000447,1
3,covalent,SING,C3,C2,,,,,9207,bmse000447,1
4,covalent,SING,C3,C4,,,,,9207,bmse000447,1
5,covalent,SING,C3,H11,,,,,9207,bmse000447,1
6,covalent,SING,C3,H12,,,,,9207,bmse000447,1
7,covalent,SING,C2,C1,,,,,9207,bmse000447,1
8,covalent,SING,C2,H9,,,,,9207,bmse000447,1
9,covalent,SING,C2,H10,,,,,9207,bmse000447,1
10,covalent,SING,C4,H13,,,,,9207,bmse000447,1
11,covalent,SING,C4,H14,,,,,9207,bmse000447,1
12,covalent,SING,C1,H8,,,,,9207,bmse000447,1
13,covalent,SING,C1,H6,,,,,9207,bmse000447,1
14,covalent,SING,C1,H7,,,,,9207,bmse000447,1
1,covalent,SING,O10,C3,,,,,9228,bmse000448,1
2,covalent,SING,O10,H21,,,,,9228,bmse000448,1
3,covalent,SING,C5,N7,,,,,9228,bmse000448,1
4,covalent,SING,N7,H18,,,,,9228,bmse000448,1
5,covalent,SING,N7,H19,,,,,9228,bmse000448,1
6,covalent,SING,N9,C6,,,,,9228,bmse000448,1
7,covalent,SING,N9,C4,,,,,9228,bmse000448,1
8,covalent,SING,N9,H20,,,,,9228,bmse000448,1
9,covalent,SING,N8,C2,,,,,9228,bmse000448,1
10,covalent,DOUB,N8,C4,,,,,9228,bmse000448,1
11,covalent,SING,C5,C1,,,,,9228,bmse000448,1
12,covalent,SING,C5,C3,,,,,9228,bmse000448,1
13,covalent,SING,C5,H17,,,,,9228,bmse000448,1
14,covalent,SING,C1,C6,,,,,9228,bmse000448,1
15,covalent,SING,C1,H11,,,,,9228,bmse000448,1
16,covalent,SING,C1,H12,,,,,9228,bmse000448,1
17,covalent,DOUB,C6,C2,,,,,9228,bmse000448,1
18,covalent,SING,C3,H14,,,,,9228,bmse000448,1
19,covalent,SING,C3,H15,,,,,9228,bmse000448,1
20,covalent,SING,C2,H13,,,,,9228,bmse000448,1
21,covalent,SING,C4,H16,,,,,9228,bmse000448,1
1,covalent,SING,O11,C7,,,,,9251,bmse000449,1
2,covalent,SING,O11,H23,,,,,9251,bmse000449,1
3,covalent,DOUB,O12,C7,,,,,9251,bmse000449,1
4,covalent,SING,N10,C3,,,,,9251,bmse000449,1
5,covalent,SING,N10,C4,,,,,9251,bmse000449,1
6,covalent,SING,N10,C1,,,,,9251,bmse000449,1
7,covalent,SING,N9,C5,,,,,9251,bmse000449,1
8,covalent,DOUB,N9,C4,,,,,9251,bmse000449,1
9,covalent,SING,C6,N8,,,,,9251,bmse000449,1
10,covalent,SING,N8,H21,,,,,9251,bmse000449,1
11,covalent,SING,N8,H22,,,,,9251,bmse000449,1
12,covalent,SING,C2,C6,,,,,9251,bmse000449,1
13,covalent,SING,C2,C5,,,,,9251,bmse000449,1
14,covalent,SING,C2,H16,,,,,9251,bmse000449,1
15,covalent,SING,C2,H17,,,,,9251,bmse000449,1
16,covalent,SING,C6,C7,,,,,9251,bmse000449,1
17,covalent,SING,C6,H20,,,,,9251,bmse000449,1
18,covalent,DOUB,C5,C3,,,,,9251,bmse000449,1
19,covalent,SING,C3,H18,,,,,9251,bmse000449,1
20,covalent,SING,C4,H19,,,,,9251,bmse000449,1
21,covalent,SING,C1,H13,,,,,9251,bmse000449,1
22,covalent,SING,C1,H14,,,,,9251,bmse000449,1
23,covalent,SING,C1,H15,,,,,9251,bmse000449,1
1,covalent,SING,S9,C3,,,,,9274,bmse000450,1
2,covalent,SING,S9,C1,,,,,9274,bmse000450,1
3,covalent,SING,O7,C5,,,,,9274,bmse000450,1
4,covalent,SING,O7,H20,,,,,9274,bmse000450,1
5,covalent,DOUB,O8,C5,,,,,9274,bmse000450,1
6,covalent,SING,C4,N6,,,,,9274,bmse000450,1
7,covalent,SING,N6,H18,,,,,9274,bmse000450,1
8,covalent,SING,N6,H19,,,,,9274,bmse000450,1
9,covalent,SING,C2,C4,,,,,9274,bmse000450,1
10,covalent,SING,C2,C3,,,,,9274,bmse000450,1
11,covalent,SING,C2,H13,,,,,9274,bmse000450,1
12,covalent,SING,C2,H14,,,,,9274,bmse000450,1
13,covalent,SING,C4,C5,,,,,9274,bmse000450,1
14,covalent,SING,C4,H17,,,,,9274,bmse000450,1
15,covalent,SING,C3,H15,,,,,9274,bmse000450,1
16,covalent,SING,C3,H16,,,,,9274,bmse000450,1
17,covalent,SING,C1,H10,,,,,9274,bmse000450,1
18,covalent,SING,C1,H12,,,,,9274,bmse000450,1
19,covalent,SING,C1,H11,,,,,9274,bmse000450,1
1,covalent,SING,N7,C6,,,,,9297,bmse000451,1
2,covalent,SING,N7,H19,,,,,9297,bmse000451,1
3,covalent,SING,N7,H20,,,,,9297,bmse000451,1
4,covalent,SING,C6,C4,,,,,9297,bmse000451,1
5,covalent,SING,C6,C5,,,,,9297,bmse000451,1
6,covalent,SING,C6,H18,,,,,9297,bmse000451,1
7,covalent,SING,C4,C2,,,,,9297,bmse000451,1
8,covalent,SING,C4,H14,,,,,9297,bmse000451,1
9,covalent,SING,C4,H15,,,,,9297,bmse000451,1
10,covalent,SING,C5,C3,,,,,9297,bmse000451,1
11,covalent,SING,C5,H16,,,,,9297,bmse000451,1
12,covalent,SING,C5,H17,,,,,9297,bmse000451,1
13,covalent,SING,C2,C1,,,,,9297,bmse000451,1
14,covalent,SING,C2,H10,,,,,9297,bmse000451,1
15,covalent,SING,C2,H11,,,,,9297,bmse000451,1
16,covalent,SING,C3,C1,,,,,9297,bmse000451,1
17,covalent,SING,C3,H12,,,,,9297,bmse000451,1
18,covalent,SING,C3,H13,,,,,9297,bmse000451,1
19,covalent,SING,C1,H8,,,,,9297,bmse000451,1
20,covalent,SING,C1,H9,,,,,9297,bmse000451,1
1,covalent,SING,S6,O4,,,,,9319,bmse000452,1
2,covalent,DOUB,S6,O5,,,,,9319,bmse000452,1
3,covalent,SING,S6,C2,,,,,9319,bmse000452,1
4,covalent,SING,O4,H13,,,,,9319,bmse000452,1
5,covalent,SING,N3,C1,,,,,9319,bmse000452,1
6,covalent,SING,N3,H11,,,,,9319,bmse000452,1
7,covalent,SING,N3,H12,,,,,9319,bmse000452,1
8,covalent,SING,C2,C1,,,,,9319,bmse000452,1
9,covalent,SING,C2,H9,,,,,9319,bmse000452,1
10,covalent,SING,C2,H10,,,,,9319,bmse000452,1
11,covalent,SING,C1,H7,,,,,9319,bmse000452,1
12,covalent,SING,C1,H8,,,,,9319,bmse000452,1
1,covalent,SING,O10,C4,,,,,9340,bmse000453,1
2,covalent,SING,O10,H20,,,,,9340,bmse000453,1
3,covalent,SING,O8,C3,,,,,9340,bmse000453,1
4,covalent,SING,O8,H19,,,,,9340,bmse000453,1
5,covalent,DOUB,O11,C4,,,,,9340,bmse000453,1
6,covalent,DOUB,O9,C3,,,,,9340,bmse000453,1
7,covalent,DOUB,O12,C5,,,,,9340,bmse000453,1
8,covalent,SING,N7,C2,,,,,9340,bmse000453,1
9,covalent,SING,N7,C5,,,,,9340,bmse000453,1
10,covalent,SING,N7,H18,,,,,9340,bmse000453,1
11,covalent,SING,N6,C5,,,,,9340,bmse000453,1
12,covalent,SING,N6,H16,,,,,9340,bmse000453,1
13,covalent,SING,N6,H17,,,,,9340,bmse000453,1
14,covalent,SING,C2,C1,,,,,9340,bmse000453,1
15,covalent,SING,C2,C4,,,,,9340,bmse000453,1
16,covalent,SING,C2,H15,,,,,9340,bmse000453,1
17,covalent,SING,C1,C3,,,,,9340,bmse000453,1
18,covalent,SING,C1,H13,,,,,9340,bmse000453,1
19,covalent,SING,C1,H14,,,,,9340,bmse000453,1
1,covalent,SING,N7,C4,,,,,9362,bmse000454,1
2,covalent,SING,N7,C3,,,,,9362,bmse000454,1
3,covalent,SING,N7,H13,,,,,9362,bmse000454,1
4,covalent,SING,N9,C5,,,,,9362,bmse000454,1
5,covalent,DOUB,N9,C3,,,,,9362,bmse000454,1
6,covalent,DOUB,N8,C5,,,,,9362,bmse000454,1
7,covalent,SING,N8,C2,,,,,9362,bmse000454,1
8,covalent,SING,N6,C1,,,,,9362,bmse000454,1
9,covalent,DOUB,N6,C2,,,,,9362,bmse000454,1
10,covalent,SING,C4,C5,,,,,9362,bmse000454,1
11,covalent,DOUB,C4,C1,,,,,9362,bmse000454,1
12,covalent,SING,C1,H10,,,,,9362,bmse000454,1
13,covalent,SING,C3,H12,,,,,9362,bmse000454,1
14,covalent,SING,C2,H11,,,,,9362,bmse000454,1
1,covalent,SING,O9,C7,,,,,9384,bmse000455,1
2,covalent,SING,O9,H18,,,,,9384,bmse000455,1
3,covalent,SING,O10,C8,,,,,9384,bmse000455,1
4,covalent,SING,O10,H19,,,,,9384,bmse000455,1
5,covalent,DOUB,O11,C8,,,,,9384,bmse000455,1
6,covalent,SING,C6,C5,,,,,9384,bmse000455,1
7,covalent,DOUB,C6,C1,,,,,9384,bmse000455,1
8,covalent,SING,C6,C2,,,,,9384,bmse000455,1
9,covalent,SING,C5,C8,,,,,9384,bmse000455,1
10,covalent,SING,C5,H16,,,,,9384,bmse000455,1
11,covalent,SING,C5,H17,,,,,9384,bmse000455,1
12,covalent,SING,C1,C3,,,,,9384,bmse000455,1
13,covalent,SING,C1,H12,,,,,9384,bmse000455,1
14,covalent,DOUB,C2,C4,,,,,9384,bmse000455,1
15,covalent,SING,C2,H13,,,,,9384,bmse000455,1
16,covalent,DOUB,C3,C7,,,,,9384,bmse000455,1
17,covalent,SING,C3,H14,,,,,9384,bmse000455,1
18,covalent,SING,C4,C7,,,,,9384,bmse000455,1
19,covalent,SING,C4,H15,,,,,9384,bmse000455,1
1,covalent,SING,O14,C7,,,,,9407,bmse000457,1
2,covalent,SING,O14,H27,,,,,9407,bmse000457,1
3,covalent,SING,O15,C11,,,,,9407,bmse000457,1
4,covalent,SING,O15,H28,,,,,9407,bmse000457,1
5,covalent,DOUB,O16,C11,,,,,9407,bmse000457,1
6,covalent,SING,N13,C10,,,,,9407,bmse000457,1
7,covalent,SING,N13,C5,,,,,9407,bmse000457,1
8,covalent,SING,N13,H26,,,,,9407,bmse000457,1
9,covalent,SING,C9,N12,,,,,9407,bmse000457,1
10,covalent,SING,N12,H24,,,,,9407,bmse000457,1
11,covalent,SING,N12,H25,,,,,9407,bmse000457,1
12,covalent,SING,C6,C3,,,,,9407,bmse000457,1
13,covalent,SING,C6,C8,,,,,9407,bmse000457,1
14,covalent,DOUB,C6,C5,,,,,9407,bmse000457,1
15,covalent,SING,C3,C9,,,,,9407,bmse000457,1
16,covalent,SING,C3,H19,,,,,9407,bmse000457,1
17,covalent,SING,C3,H20,,,,,9407,bmse000457,1
18,covalent,DOUB,C8,C10,,,,,9407,bmse000457,1
19,covalent,SING,C8,C4,,,,,9407,bmse000457,1
20,covalent,SING,C9,C11,,,,,9407,bmse000457,1
21,covalent,SING,C9,H23,,,,,9407,bmse000457,1
22,covalent,SING,C10,C2,,,,,9407,bmse000457,1
23,covalent,SING,C5,H22,,,,,9407,bmse000457,1
24,covalent,DOUB,C4,C7,,,,,9407,bmse000457,1
25,covalent,SING,C4,H21,,,,,9407,bmse000457,1
26,covalent,DOUB,C2,C1,,,,,9407,bmse000457,1
27,covalent,SING,C2,H18,,,,,9407,bmse000457,1
28,covalent,SING,C7,C1,,,,,9407,bmse000457,1
29,covalent,SING,C1,H17,,,,,9407,bmse000457,1
1,covalent,SING,O8,C7,,,,,9430,bmse000458,1
2,covalent,SING,O8,H16,,,,,9430,bmse000458,1
3,covalent,DOUB,C6,C2,,,,,9430,bmse000458,1
4,covalent,SING,C6,C3,,,,,9430,bmse000458,1
5,covalent,SING,C6,C1,,,,,9430,bmse000458,1
6,covalent,SING,C2,C4,,,,,9430,bmse000458,1
7,covalent,SING,C2,H12,,,,,9430,bmse000458,1
8,covalent,DOUB,C3,C5,,,,,9430,bmse000458,1
9,covalent,SING,C3,H13,,,,,9430,bmse000458,1
10,covalent,DOUB,C4,C7,,,,,9430,bmse000458,1
11,covalent,SING,C4,H14,,,,,9430,bmse000458,1
12,covalent,SING,C5,C7,,,,,9430,bmse000458,1
13,covalent,SING,C5,H15,,,,,9430,bmse000458,1
14,covalent,SING,C1,H10,,,,,9430,bmse000458,1
15,covalent,SING,C1,H11,,,,,9430,bmse000458,1
16,covalent,SING,C1,H9,,,,,9430,bmse000458,1
1,covalent,SING,O14,C9,,,,,9453,bmse000459,1
2,covalent,SING,O14,C1,,,,,9453,bmse000459,1
3,covalent,SING,O11,C8,,,,,9453,bmse000459,1
4,covalent,SING,O11,H23,,,,,9453,bmse000459,1
5,covalent,SING,O12,C10,,,,,9453,bmse000459,1
6,covalent,SING,O12,H24,,,,,9453,bmse000459,1
7,covalent,DOUB,O13,C10,,,,,9453,bmse000459,1
8,covalent,DOUB,C7,C6,,,,,9453,bmse000459,1
9,covalent,SING,C7,C2,,,,,9453,bmse000459,1
10,covalent,SING,C7,C3,,,,,9453,bmse000459,1
11,covalent,SING,C9,C6,,,,,9453,bmse000459,1
12,covalent,DOUB,C9,C8,,,,,9453,bmse000459,1
13,covalent,SING,C6,H22,,,,,9453,bmse000459,1
14,covalent,DOUB,C2,C4,,,,,9453,bmse000459,1
15,covalent,SING,C2,H18,,,,,9453,bmse000459,1
16,covalent,SING,C8,C4,,,,,9453,bmse000459,1
17,covalent,SING,C4,H20,,,,,9453,bmse000459,1
18,covalent,DOUB,C3,C5,,,,,9453,bmse000459,1
19,covalent,SING,C3,H19,,,,,9453,bmse000459,1
20,covalent,SING,C5,C10,,,,,9453,bmse000459,1
21,covalent,SING,C5,H21,,,,,9453,bmse000459,1
22,covalent,SING,C1,H17,,,,,9453,bmse000459,1
23,covalent,SING,C1,H16,,,,,9453,bmse000459,1
24,covalent,SING,C1,H15,,,,,9453,bmse000459,1
1,covalent,SING,O7,C4,,,,,9476,bmse000460,1
2,covalent,SING,O7,H13,,,,,9476,bmse000460,1
3,covalent,DOUB,O6,C3,,,,,9476,bmse000460,1
4,covalent,DOUB,O8,C4,,,,,9476,bmse000460,1
5,covalent,SING,N5,C3,,,,,9476,bmse000460,1
6,covalent,SING,N5,H11,,,,,9476,bmse000460,1
7,covalent,SING,N5,H12,,,,,9476,bmse000460,1
8,covalent,DOUB,C1,C2,,,,,9476,bmse000460,1
9,covalent,SING,C1,C3,,,,,9476,bmse000460,1
10,covalent,SING,C1,H9,,,,,9476,bmse000460,1
11,covalent,SING,C2,C4,,,,,9476,bmse000460,1
12,covalent,SING,C2,H10,,,,,9476,bmse000460,1
1,covalent,SING,Cl7,C5,,,,,9498,bmse000461,1
2,covalent,SING,O8,C6,,,,,9498,bmse000461,1
3,covalent,SING,O8,H13,,,,,9498,bmse000461,1
4,covalent,DOUB,C6,C3,,,,,9498,bmse000461,1
5,covalent,SING,C6,C4,,,,,9498,bmse000461,1
6,covalent,SING,C3,C1,,,,,9498,bmse000461,1
7,covalent,SING,C3,H11,,,,,9498,bmse000461,1
8,covalent,DOUB,C4,C2,,,,,9498,bmse000461,1
9,covalent,SING,C4,H12,,,,,9498,bmse000461,1
10,covalent,DOUB,C1,C5,,,,,9498,bmse000461,1
11,covalent,SING,C1,H9,,,,,9498,bmse000461,1
12,covalent,SING,C2,C5,,,,,9498,bmse000461,1
13,covalent,SING,C2,H10,,,,,9498,bmse000461,1
1,covalent,SING,O8,C6,,,,,9520,bmse000462,1
2,covalent,SING,O8,H15,,,,,9520,bmse000462,1
3,covalent,SING,N7,C5,,,,,9520,bmse000462,1
4,covalent,SING,N7,H13,,,,,9520,bmse000462,1
5,covalent,SING,N7,H14,,,,,9520,bmse000462,1
6,covalent,DOUB,C5,C1,,,,,9520,bmse000462,1
7,covalent,SING,C5,C2,,,,,9520,bmse000462,1
8,covalent,SING,C1,C3,,,,,9520,bmse000462,1
9,covalent,SING,C1,H9,,,,,9520,bmse000462,1
10,covalent,DOUB,C2,C4,,,,,9520,bmse000462,1
11,covalent,SING,C2,H10,,,,,9520,bmse000462,1
12,covalent,DOUB,C6,C3,,,,,9520,bmse000462,1
13,covalent,SING,C6,C4,,,,,9520,bmse000462,1
14,covalent,SING,C3,H11,,,,,9520,bmse000462,1
15,covalent,SING,C4,H12,,,,,9520,bmse000462,1
1,covalent,SING,O7,C5,,,,,9542,bmse000463,1
2,covalent,SING,O7,H15,,,,,9542,bmse000463,1
3,covalent,SING,O9,C6,,,,,9542,bmse000463,1
4,covalent,SING,O9,H16,,,,,9542,bmse000463,1
5,covalent,DOUB,O8,C5,,,,,9542,bmse000463,1
6,covalent,DOUB,O10,C6,,,,,9542,bmse000463,1
7,covalent,SING,C1,C2,,,,,9542,bmse000463,1
8,covalent,DOUB,C1,C3,,,,,9542,bmse000463,1
9,covalent,SING,C1,H11,,,,,9542,bmse000463,1
10,covalent,DOUB,C2,C4,,,,,9542,bmse000463,1
11,covalent,SING,C2,H12,,,,,9542,bmse000463,1
12,covalent,SING,C3,C5,,,,,9542,bmse000463,1
13,covalent,SING,C3,H13,,,,,9542,bmse000463,1
14,covalent,SING,C4,C6,,,,,9542,bmse000463,1
15,covalent,SING,C4,H14,,,,,9542,bmse000463,1
1,covalent,SING,C8,O14,,,,,9564,bmse000464,1
2,covalent,SING,O14,C7,,,,,9564,bmse000464,1
3,covalent,SING,O12,C9,,,,,9564,bmse000464,1
4,covalent,DOUB,O13,C9,,,,,9564,bmse000464,1
5,covalent,DOUB,O11,C7,,,,,9564,bmse000464,1
6,covalent,SING,N10,C6,,,,,9564,bmse000464,1
7,covalent,SING,N10,C2,,,,,9564,bmse000464,1
8,covalent,SING,N10,C3,,,,,9564,bmse000464,1
9,covalent,SING,N10,C4,,,,,9564,bmse000464,1
10,covalent,SING,C6,C8,,,,,9564,bmse000464,1
11,covalent,SING,C6,H29,,,,,9564,bmse000464,1
12,covalent,SING,C6,H30,,,,,9564,bmse000464,1
13,covalent,SING,C8,C5,,,,,9564,bmse000464,1
14,covalent,SING,C8,H31,,,,,9564,bmse000464,1
15,covalent,SING,C2,H20,,,,,9564,bmse000464,1
16,covalent,SING,C2,H18,,,,,9564,bmse000464,1
17,covalent,SING,C2,H19,,,,,9564,bmse000464,1
18,covalent,SING,C3,H23,,,,,9564,bmse000464,1
19,covalent,SING,C3,H21,,,,,9564,bmse000464,1
20,covalent,SING,C3,H22,,,,,9564,bmse000464,1
21,covalent,SING,C4,H25,,,,,9564,bmse000464,1
22,covalent,SING,C4,H24,,,,,9564,bmse000464,1
23,covalent,SING,C4,H26,,,,,9564,bmse000464,1
24,covalent,SING,C5,C9,,,,,9564,bmse000464,1
25,covalent,SING,C5,H27,,,,,9564,bmse000464,1
26,covalent,SING,C5,H28,,,,,9564,bmse000464,1
27,covalent,SING,C7,C1,,,,,9564,bmse000464,1
28,covalent,SING,C1,H16,,,,,9564,bmse000464,1
29,covalent,SING,C1,H15,,,,,9564,bmse000464,1
30,covalent,SING,C1,H17,,,,,9564,bmse000464,1
1,covalent,SING,O10,C8,,,,,9586,bmse000465,1
2,covalent,SING,O10,H17,,,,,9586,bmse000465,1
3,covalent,DOUB,O11,C8,,,,,9586,bmse000465,1
4,covalent,DOUB,O9,C5,,,,,9586,bmse000465,1
5,covalent,SING,C7,C6,,,,,9586,bmse000465,1
6,covalent,DOUB,C7,C4,,,,,9586,bmse000465,1
7,covalent,SING,C7,C8,,,,,9586,bmse000465,1
8,covalent,DOUB,C6,C3,,,,,9586,bmse000465,1
9,covalent,SING,C6,C5,,,,,9586,bmse000465,1
10,covalent,SING,C4,C2,,,,,9586,bmse000465,1
11,covalent,SING,C4,H15,,,,,9586,bmse000465,1
12,covalent,SING,C3,C1,,,,,9586,bmse000465,1
13,covalent,SING,C3,H14,,,,,9586,bmse000465,1
14,covalent,DOUB,C2,C1,,,,,9586,bmse000465,1
15,covalent,SING,C2,H13,,,,,9586,bmse000465,1
16,covalent,SING,C1,H12,,,,,9586,bmse000465,1
17,covalent,SING,C5,H16,,,,,9586,bmse000465,1
1,covalent,SING,O8,C6,,,,,9608,bmse000466,1
2,covalent,SING,O8,H22,,,,,9608,bmse000466,1
3,covalent,DOUB,O9,C6,,,,,9608,bmse000466,1
4,covalent,SING,N7,C5,,,,,9608,bmse000466,1
5,covalent,SING,N7,H20,,,,,9608,bmse000466,1
6,covalent,SING,N7,H21,,,,,9608,bmse000466,1
7,covalent,SING,C4,C5,,,,,9608,bmse000466,1
8,covalent,SING,C4,C1,,,,,9608,bmse000466,1
9,covalent,SING,C4,C2,,,,,9608,bmse000466,1
10,covalent,SING,C4,H18,,,,,9608,bmse000466,1
11,covalent,SING,C5,C3,,,,,9608,bmse000466,1
12,covalent,SING,C5,H19,,,,,9608,bmse000466,1
13,covalent,SING,C3,C6,,,,,9608,bmse000466,1
14,covalent,SING,C3,H16,,,,,9608,bmse000466,1
15,covalent,SING,C3,H17,,,,,9608,bmse000466,1
16,covalent,SING,C1,H10,,,,,9608,bmse000466,1
17,covalent,SING,C1,H12,,,,,9608,bmse000466,1
18,covalent,SING,C1,H11,,,,,9608,bmse000466,1
19,covalent,SING,C2,H15,,,,,9608,bmse000466,1
20,covalent,SING,C2,H14,,,,,9608,bmse000466,1
21,covalent,SING,C2,H13,,,,,9608,bmse000466,1
1,covalent,SING,O4,N3,,,,,9630,bmse000467,1
2,covalent,SING,O4,H9,,,,,9630,bmse000467,1
3,covalent,DOUB,N3,C2,,,,,9630,bmse000467,1
4,covalent,SING,C1,C2,,,,,9630,bmse000467,1
5,covalent,SING,C1,H5,,,,,9630,bmse000467,1
6,covalent,SING,C1,H6,,,,,9630,bmse000467,1
7,covalent,SING,C1,H7,,,,,9630,bmse000467,1
8,covalent,SING,C2,H8,,,,,9630,bmse000467,1
1,covalent,SING,O9,C6,,,,,9652,bmse000468,1
2,covalent,SING,O9,H21,,,,,9652,bmse000468,1
3,covalent,DOUB,O10,C6,,,,,9652,bmse000468,1
4,covalent,DOUB,O8,C5,,,,,9652,bmse000468,1
5,covalent,SING,N7,C4,,,,,9652,bmse000468,1
6,covalent,SING,N7,C5,,,,,9652,bmse000468,1
7,covalent,SING,N7,H20,,,,,9652,bmse000468,1
8,covalent,SING,C2,C4,,,,,9652,bmse000468,1
9,covalent,SING,C2,C3,,,,,9652,bmse000468,1
10,covalent,SING,C2,H14,,,,,9652,bmse000468,1
11,covalent,SING,C2,H15,,,,,9652,bmse000468,1
12,covalent,SING,C4,H18,,,,,9652,bmse000468,1
13,covalent,SING,C4,H19,,,,,9652,bmse000468,1
14,covalent,SING,C3,C6,,,,,9652,bmse000468,1
15,covalent,SING,C3,H16,,,,,9652,bmse000468,1
16,covalent,SING,C3,H17,,,,,9652,bmse000468,1
17,covalent,SING,C5,C1,,,,,9652,bmse000468,1
18,covalent,SING,C1,H12,,,,,9652,bmse000468,1
19,covalent,SING,C1,H13,,,,,9652,bmse000468,1
20,covalent,SING,C1,H11,,,,,9652,bmse000468,1
1,covalent,SING,C6,O8,,,,,9673,bmse000469,1
2,covalent,SING,O8,H20,,,,,9673,bmse000469,1
3,covalent,SING,C5,O7,,,,,9673,bmse000469,1
4,covalent,SING,O7,H19,,,,,9673,bmse000469,1
5,covalent,SING,C6,C5,,,,,9673,bmse000469,1
6,covalent,SING,C6,C4,,,,,9673,bmse000469,1
7,covalent,SING,C6,H18,,,,,9673,bmse000469,1
8,covalent,SING,C5,C3,,,,,9673,bmse000469,1
9,covalent,SING,C5,H17,,,,,9673,bmse000469,1
10,covalent,SING,C4,C2,,,,,9673,bmse000469,1
11,covalent,SING,C4,H15,,,,,9673,bmse000469,1
12,covalent,SING,C4,H16,,,,,9673,bmse000469,1
13,covalent,SING,C3,C1,,,,,9673,bmse000469,1
14,covalent,SING,C3,H13,,,,,9673,bmse000469,1
15,covalent,SING,C3,H14,,,,,9673,bmse000469,1
16,covalent,SING,C2,C1,,,,,9673,bmse000469,1
17,covalent,SING,C2,H11,,,,,9673,bmse000469,1
18,covalent,SING,C2,H12,,,,,9673,bmse000469,1
19,covalent,SING,C1,H9,,,,,9673,bmse000469,1
20,covalent,SING,C1,H10,,,,,9673,bmse000469,1
1,covalent,DOUB,O6,C1,,,,,9695,bmse000470,1
2,covalent,DOUB,O7,C2,,,,,9695,bmse000470,1
3,covalent,SING,N5,C1,,,,,9695,bmse000470,1
4,covalent,SING,N5,C2,,,,,9695,bmse000470,1
5,covalent,SING,N5,H12,,,,,9695,bmse000470,1
6,covalent,SING,N3,C1,,,,,9695,bmse000470,1
7,covalent,SING,N3,H8,,,,,9695,bmse000470,1
8,covalent,SING,N3,H9,,,,,9695,bmse000470,1
9,covalent,SING,N4,C2,,,,,9695,bmse000470,1
10,covalent,SING,N4,H10,,,,,9695,bmse000470,1
11,covalent,SING,N4,H11,,,,,9695,bmse000470,1
1,covalent,SING,O1,C4,,,,,9713,bmse000471,1
2,covalent,SING,O1,H7,,,,,9713,bmse000471,1
3,covalent,DOUB,O2,C4,,,,,9713,bmse000471,1
4,covalent,DOUB,O3,C5,,,,,9713,bmse000471,1
5,covalent,SING,C4,C5,,,,,9713,bmse000471,1
6,covalent,SING,C5,H6,,,,,9713,bmse000471,1
1,covalent,SING,C21,O24,,,,,9735,bmse000472,1
2,covalent,SING,O24,H54,,,,,9735,bmse000472,1
3,covalent,DOUB,O22,C13,,,,,9735,bmse000472,1
4,covalent,DOUB,O23,C15,,,,,9735,bmse000472,1
5,covalent,SING,C20,C18,,,,,9735,bmse000472,1
6,covalent,SING,C20,C21,,,,,9735,bmse000472,1
7,covalent,SING,C20,C10,,,,,9735,bmse000472,1
8,covalent,SING,C20,C3,,,,,9735,bmse000472,1
9,covalent,SING,C18,C16,,,,,9735,bmse000472,1
10,covalent,SING,C18,C8,,,,,9735,bmse000472,1
11,covalent,SING,C18,H53,,,,,9735,bmse000472,1
12,covalent,SING,C16,C17,,,,,9735,bmse000472,1
13,covalent,SING,C16,C5,,,,,9735,bmse000472,1
14,covalent,SING,C16,H51,,,,,9735,bmse000472,1
15,covalent,SING,C17,C19,,,,,9735,bmse000472,1
16,covalent,SING,C17,C7,,,,,9735,bmse000472,1
17,covalent,SING,C17,H52,,,,,9735,bmse000472,1
18,covalent,SING,C21,C11,,,,,9735,bmse000472,1
19,covalent,SING,C21,C13,,,,,9735,bmse000472,1
20,covalent,SING,C19,C14,,,,,9735,bmse000472,1
21,covalent,SING,C19,C9,,,,,9735,bmse000472,1
22,covalent,SING,C19,C2,,,,,9735,bmse000472,1
23,covalent,SING,C10,C7,,,,,9735,bmse000472,1
24,covalent,SING,C10,H46,,,,,9735,bmse000472,1
25,covalent,SING,C10,H47,,,,,9735,bmse000472,1
26,covalent,SING,C7,H40,,,,,9735,bmse000472,1
27,covalent,SING,C7,H41,,,,,9735,bmse000472,1
28,covalent,SING,C8,C11,,,,,9735,bmse000472,1
29,covalent,SING,C8,H42,,,,,9735,bmse000472,1
30,covalent,SING,C8,H43,,,,,9735,bmse000472,1
31,covalent,SING,C11,H48,,,,,9735,bmse000472,1
32,covalent,SING,C11,H49,,,,,9735,bmse000472,1
33,covalent,SING,C5,C4,,,,,9735,bmse000472,1
34,covalent,SING,C5,H36,,,,,9735,bmse000472,1
35,covalent,SING,C5,H37,,,,,9735,bmse000472,1
36,covalent,SING,C3,H31,,,,,9735,bmse000472,1
37,covalent,SING,C3,H33,,,,,9735,bmse000472,1
38,covalent,SING,C3,H32,,,,,9735,bmse000472,1
39,covalent,SING,C14,C4,,,,,9735,bmse000472,1
40,covalent,DOUB,C14,C12,,,,,9735,bmse000472,1
41,covalent,SING,C4,H34,,,,,9735,bmse000472,1
42,covalent,SING,C4,H35,,,,,9735,bmse000472,1
43,covalent,SING,C9,C6,,,,,9735,bmse000472,1
44,covalent,SING,C9,H44,,,,,9735,bmse000472,1
45,covalent,SING,C9,H45,,,,,9735,bmse000472,1
46,covalent,SING,C2,H28,,,,,9735,bmse000472,1
47,covalent,SING,C2,H30,,,,,9735,bmse000472,1
48,covalent,SING,C2,H29,,,,,9735,bmse000472,1
49,covalent,SING,C13,C1,,,,,9735,bmse000472,1
50,covalent,SING,C6,C15,,,,,9735,bmse000472,1
51,covalent,SING,C6,H38,,,,,9735,bmse000472,1
52,covalent,SING,C6,H39,,,,,9735,bmse000472,1
53,covalent,SING,C12,C15,,,,,9735,bmse000472,1
54,covalent,SING,C12,H50,,,,,9735,bmse000472,1
55,covalent,SING,C1,H26,,,,,9735,bmse000472,1
56,covalent,SING,C1,H25,,,,,9735,bmse000472,1
57,covalent,SING,C1,H27,,,,,9735,bmse000472,1
1,covalent,SING,O12,C6,,,,,9758,bmse000473,1
2,covalent,SING,O12,H23,,,,,9758,bmse000473,1
3,covalent,SING,N11,C10,,,,,9758,bmse000473,1
4,covalent,SING,N11,C7,,,,,9758,bmse000473,1
5,covalent,SING,N11,H22,,,,,9758,bmse000473,1
6,covalent,SING,C8,C9,,,,,9758,bmse000473,1
7,covalent,SING,C8,C5,,,,,9758,bmse000473,1
8,covalent,DOUB,C8,C7,,,,,9758,bmse000473,1
9,covalent,SING,C9,C10,,,,,9758,bmse000473,1
10,covalent,DOUB,C9,C3,,,,,9758,bmse000473,1
11,covalent,DOUB,C10,C4,,,,,9758,bmse000473,1
12,covalent,SING,C5,C6,,,,,9758,bmse000473,1
13,covalent,SING,C5,H17,,,,,9758,bmse000473,1
14,covalent,SING,C5,H18,,,,,9758,bmse000473,1
15,covalent,SING,C7,H21,,,,,9758,bmse000473,1
16,covalent,SING,C3,C1,,,,,9758,bmse000473,1
17,covalent,SING,C3,H15,,,,,9758,bmse000473,1
18,covalent,SING,C6,H19,,,,,9758,bmse000473,1
19,covalent,SING,C6,H20,,,,,9758,bmse000473,1
20,covalent,SING,C4,C2,,,,,9758,bmse000473,1
21,covalent,SING,C4,H16,,,,,9758,bmse000473,1
22,covalent,DOUB,C1,C2,,,,,9758,bmse000473,1
23,covalent,SING,C1,H13,,,,,9758,bmse000473,1
24,covalent,SING,C2,H14,,,,,9758,bmse000473,1
1,covalent,DOUB,O6,C4,,,,,9781,bmse000474,1
2,covalent,SING,C5,C1,,,,,9781,bmse000474,1
3,covalent,SING,C5,C2,,,,,9781,bmse000474,1
4,covalent,DOUB,C5,C3,,,,,9781,bmse000474,1
5,covalent,SING,C1,H8,,,,,9781,bmse000474,1
6,covalent,SING,C1,H7,,,,,9781,bmse000474,1
7,covalent,SING,C1,H9,,,,,9781,bmse000474,1
8,covalent,SING,C2,H10,,,,,9781,bmse000474,1
9,covalent,SING,C2,H11,,,,,9781,bmse000474,1
10,covalent,SING,C2,H12,,,,,9781,bmse000474,1
11,covalent,SING,C3,C4,,,,,9781,bmse000474,1
12,covalent,SING,C3,H13,,,,,9781,bmse000474,1
13,covalent,SING,C4,H14,,,,,9781,bmse000474,1
1,covalent,SING,O9,C7,,,,,9802,bmse000475,1
2,covalent,SING,O9,H17,,,,,9802,bmse000475,1
3,covalent,SING,O8,C6,,,,,9802,bmse000475,1
4,covalent,SING,O8,H16,,,,,9802,bmse000475,1
5,covalent,DOUB,C5,C4,,,,,9802,bmse000475,1
6,covalent,SING,C5,C2,,,,,9802,bmse000475,1
7,covalent,SING,C5,C1,,,,,9802,bmse000475,1
8,covalent,SING,C4,C7,,,,,9802,bmse000475,1
9,covalent,SING,C4,H15,,,,,9802,bmse000475,1
10,covalent,DOUB,C2,C3,,,,,9802,bmse000475,1
11,covalent,SING,C2,H13,,,,,9802,bmse000475,1
12,covalent,DOUB,C7,C6,,,,,9802,bmse000475,1
13,covalent,SING,C6,C3,,,,,9802,bmse000475,1
14,covalent,SING,C3,H14,,,,,9802,bmse000475,1
15,covalent,SING,C1,H10,,,,,9802,bmse000475,1
16,covalent,SING,C1,H11,,,,,9802,bmse000475,1
17,covalent,SING,C1,H12,,,,,9802,bmse000475,1
1,covalent,SING,C15,O23,,,,,9825,bmse000476,1
2,covalent,SING,O23,H55,,,,,9825,bmse000476,1
3,covalent,DOUB,O22,C13,,,,,9825,bmse000476,1
4,covalent,SING,C21,C18,,,,,9825,bmse000476,1
5,covalent,SING,C21,C11,,,,,9825,bmse000476,1
6,covalent,SING,C21,C17,,,,,9825,bmse000476,1
7,covalent,SING,C21,C3,,,,,9825,bmse000476,1
8,covalent,SING,C18,C16,,,,,9825,bmse000476,1
9,covalent,SING,C18,C7,,,,,9825,bmse000476,1
10,covalent,SING,C18,H53,,,,,9825,bmse000476,1
11,covalent,SING,C16,C19,,,,,9825,bmse000476,1
12,covalent,SING,C16,C5,,,,,9825,bmse000476,1
13,covalent,SING,C16,H51,,,,,9825,bmse000476,1
14,covalent,SING,C19,C20,,,,,9825,bmse000476,1
15,covalent,SING,C19,C9,,,,,9825,bmse000476,1
16,covalent,SING,C19,H54,,,,,9825,bmse000476,1
17,covalent,SING,C20,C14,,,,,9825,bmse000476,1
18,covalent,SING,C20,C10,,,,,9825,bmse000476,1
19,covalent,SING,C20,C2,,,,,9825,bmse000476,1
20,covalent,SING,C11,C9,,,,,9825,bmse000476,1
21,covalent,SING,C11,H46,,,,,9825,bmse000476,1
22,covalent,SING,C11,H47,,,,,9825,bmse000476,1
23,covalent,SING,C17,C6,,,,,9825,bmse000476,1
24,covalent,SING,C17,C13,,,,,9825,bmse000476,1
25,covalent,SING,C17,H52,,,,,9825,bmse000476,1
26,covalent,SING,C9,H42,,,,,9825,bmse000476,1
27,covalent,SING,C9,H43,,,,,9825,bmse000476,1
28,covalent,SING,C7,C6,,,,,9825,bmse000476,1
29,covalent,SING,C7,H38,,,,,9825,bmse000476,1
30,covalent,SING,C7,H39,,,,,9825,bmse000476,1
31,covalent,SING,C6,H36,,,,,9825,bmse000476,1
32,covalent,SING,C6,H37,,,,,9825,bmse000476,1
33,covalent,SING,C5,C4,,,,,9825,bmse000476,1
34,covalent,SING,C5,H34,,,,,9825,bmse000476,1
35,covalent,SING,C5,H35,,,,,9825,bmse000476,1
36,covalent,DOUB,C14,C4,,,,,9825,bmse000476,1
37,covalent,SING,C14,C12,,,,,9825,bmse000476,1
38,covalent,SING,C3,H30,,,,,9825,bmse000476,1
39,covalent,SING,C3,H32,,,,,9825,bmse000476,1
40,covalent,SING,C3,H31,,,,,9825,bmse000476,1
41,covalent,SING,C10,C8,,,,,9825,bmse000476,1
42,covalent,SING,C10,H44,,,,,9825,bmse000476,1
43,covalent,SING,C10,H45,,,,,9825,bmse000476,1
44,covalent,SING,C4,H33,,,,,9825,bmse000476,1
45,covalent,SING,C2,H27,,,,,9825,bmse000476,1
46,covalent,SING,C2,H29,,,,,9825,bmse000476,1
47,covalent,SING,C2,H28,,,,,9825,bmse000476,1
48,covalent,SING,C12,C15,,,,,9825,bmse000476,1
49,covalent,SING,C12,H48,,,,,9825,bmse000476,1
50,covalent,SING,C12,H49,,,,,9825,bmse000476,1
51,covalent,SING,C8,C15,,,,,9825,bmse000476,1
52,covalent,SING,C8,H40,,,,,9825,bmse000476,1
53,covalent,SING,C8,H41,,,,,9825,bmse000476,1
54,covalent,SING,C13,C1,,,,,9825,bmse000476,1
55,covalent,SING,C15,H50,,,,,9825,bmse000476,1
56,covalent,SING,C1,H25,,,,,9825,bmse000476,1
57,covalent,SING,C1,H26,,,,,9825,bmse000476,1
58,covalent,SING,C1,H24,,,,,9825,bmse000476,1
1,covalent,SING,C23,O30,,,,,9848,bmse000477,1
2,covalent,SING,O30,H80,,,,,9848,bmse000477,1
3,covalent,SING,C29,C26,,,,,9848,bmse000477,1
4,covalent,SING,C29,C25,,,,,9848,bmse000477,1
5,covalent,SING,C29,C17,,,,,9848,bmse000477,1
6,covalent,SING,C29,C6,,,,,9848,bmse000477,1
7,covalent,SING,C26,C24,,,,,9848,bmse000477,1
8,covalent,SING,C26,C13,,,,,9848,bmse000477,1
9,covalent,SING,C26,H78,,,,,9848,bmse000477,1
10,covalent,SING,C24,C27,,,,,9848,bmse000477,1
11,covalent,SING,C24,C11,,,,,9848,bmse000477,1
12,covalent,SING,C24,H76,,,,,9848,bmse000477,1
13,covalent,SING,C27,C28,,,,,9848,bmse000477,1
14,covalent,SING,C27,C15,,,,,9848,bmse000477,1
15,covalent,SING,C27,H79,,,,,9848,bmse000477,1
16,covalent,SING,C25,C12,,,,,9848,bmse000477,1
17,covalent,SING,C25,C20,,,,,9848,bmse000477,1
18,covalent,SING,C25,H77,,,,,9848,bmse000477,1
19,covalent,SING,C17,C15,,,,,9848,bmse000477,1
20,covalent,SING,C17,H68,,,,,9848,bmse000477,1
21,covalent,SING,C17,H69,,,,,9848,bmse000477,1
22,covalent,SING,C28,C22,,,,,9848,bmse000477,1
23,covalent,SING,C28,C16,,,,,9848,bmse000477,1
24,covalent,SING,C28,C5,,,,,9848,bmse000477,1
25,covalent,SING,C13,C12,,,,,9848,bmse000477,1
26,covalent,SING,C13,H60,,,,,9848,bmse000477,1
27,covalent,SING,C13,H61,,,,,9848,bmse000477,1
28,covalent,SING,C15,H64,,,,,9848,bmse000477,1
29,covalent,SING,C15,H65,,,,,9848,bmse000477,1
30,covalent,SING,C12,H58,,,,,9848,bmse000477,1
31,covalent,SING,C12,H59,,,,,9848,bmse000477,1
32,covalent,SING,C11,C10,,,,,9848,bmse000477,1
33,covalent,SING,C11,H56,,,,,9848,bmse000477,1
34,covalent,SING,C11,H57,,,,,9848,bmse000477,1
35,covalent,SING,C20,C8,,,,,9848,bmse000477,1
36,covalent,SING,C20,C4,,,,,9848,bmse000477,1
37,covalent,SING,C20,H73,,,,,9848,bmse000477,1
38,covalent,SING,C6,H46,,,,,9848,bmse000477,1
39,covalent,SING,C6,H47,,,,,9848,bmse000477,1
40,covalent,SING,C6,H48,,,,,9848,bmse000477,1
41,covalent,DOUB,C22,C10,,,,,9848,bmse000477,1
42,covalent,SING,C22,C18,,,,,9848,bmse000477,1
43,covalent,SING,C16,C14,,,,,9848,bmse000477,1
44,covalent,SING,C16,H66,,,,,9848,bmse000477,1
45,covalent,SING,C16,H67,,,,,9848,bmse000477,1
46,covalent,SING,C10,H55,,,,,9848,bmse000477,1
47,covalent,SING,C5,H45,,,,,9848,bmse000477,1
48,covalent,SING,C5,H43,,,,,9848,bmse000477,1
49,covalent,SING,C5,H44,,,,,9848,bmse000477,1
50,covalent,SING,C18,C23,,,,,9848,bmse000477,1
51,covalent,SING,C18,H70,,,,,9848,bmse000477,1
52,covalent,SING,C18,H71,,,,,9848,bmse000477,1
53,covalent,SING,C8,C9,,,,,9848,bmse000477,1
54,covalent,SING,C8,H51,,,,,9848,bmse000477,1
55,covalent,SING,C8,H52,,,,,9848,bmse000477,1
56,covalent,SING,C14,C23,,,,,9848,bmse000477,1
57,covalent,SING,C14,H62,,,,,9848,bmse000477,1
58,covalent,SING,C14,H63,,,,,9848,bmse000477,1
59,covalent,SING,C23,H75,,,,,9848,bmse000477,1
60,covalent,SING,C4,H42,,,,,9848,bmse000477,1
61,covalent,SING,C4,H41,,,,,9848,bmse000477,1
62,covalent,SING,C4,H40,,,,,9848,bmse000477,1
63,covalent,SING,C21,C9,,,,,9848,bmse000477,1
64,covalent,SING,C9,H53,,,,,9848,bmse000477,1
65,covalent,SING,C9,H54,,,,,9848,bmse000477,1
66,covalent,SING,C21,C19,,,,,9848,bmse000477,1
67,covalent,SING,C21,C7,,,,,9848,bmse000477,1
68,covalent,SING,C21,H74,,,,,9848,bmse000477,1
69,covalent,SING,C19,C2,,,,,9848,bmse000477,1
70,covalent,SING,C19,C3,,,,,9848,bmse000477,1
71,covalent,SING,C19,H72,,,,,9848,bmse000477,1
72,covalent,SING,C7,C1,,,,,9848,bmse000477,1
73,covalent,SING,C7,H49,,,,,9848,bmse000477,1
74,covalent,SING,C7,H50,,,,,9848,bmse000477,1
75,covalent,SING,C2,H34,,,,,9848,bmse000477,1
76,covalent,SING,C2,H35,,,,,9848,bmse000477,1
77,covalent,SING,C2,H36,,,,,9848,bmse000477,1
78,covalent,SING,C3,H38,,,,,9848,bmse000477,1
79,covalent,SING,C3,H39,,,,,9848,bmse000477,1
80,covalent,SING,C3,H37,,,,,9848,bmse000477,1
81,covalent,SING,C1,H32,,,,,9848,bmse000477,1
82,covalent,SING,C1,H31,,,,,9848,bmse000477,1
83,covalent,SING,C1,H33,,,,,9848,bmse000477,1
1,covalent,SING,C26,O31,,,,,9867,bmse000478,1
2,covalent,SING,O31,H81,,,,,9867,bmse000478,1
3,covalent,SING,C29,C30,,,,,9867,bmse000478,1
4,covalent,SING,C29,C22,,,,,9867,bmse000478,1
5,covalent,SING,C29,C19,,,,,9867,bmse000478,1
6,covalent,SING,C29,C7,,,,,9867,bmse000478,1
7,covalent,SING,C30,C24,,,,,9867,bmse000478,1
8,covalent,SING,C30,C18,,,,,9867,bmse000478,1
9,covalent,SING,C30,C8,,,,,9867,bmse000478,1
10,covalent,SING,C22,C14,,,,,9867,bmse000478,1
11,covalent,SING,C22,C21,,,,,9867,bmse000478,1
12,covalent,SING,C22,H78,,,,,9867,bmse000478,1
13,covalent,SING,C28,C25,,,,,9867,bmse000478,1
14,covalent,SING,C28,C23,,,,,9867,bmse000478,1
15,covalent,SING,C28,C17,,,,,9867,bmse000478,1
16,covalent,SING,C28,C6,,,,,9867,bmse000478,1
17,covalent,DOUB,C24,C23,,,,,9867,bmse000478,1
18,covalent,SING,C24,C12,,,,,9867,bmse000478,1
19,covalent,SING,C25,C27,,,,,9867,bmse000478,1
20,covalent,SING,C25,C13,,,,,9867,bmse000478,1
21,covalent,SING,C25,H79,,,,,9867,bmse000478,1
22,covalent,SING,C23,C15,,,,,9867,bmse000478,1
23,covalent,SING,C18,C14,,,,,9867,bmse000478,1
24,covalent,SING,C18,H73,,,,,9867,bmse000478,1
25,covalent,SING,C18,H74,,,,,9867,bmse000478,1
26,covalent,SING,C19,C15,,,,,9867,bmse000478,1
27,covalent,SING,C19,H75,,,,,9867,bmse000478,1
28,covalent,SING,C19,H76,,,,,9867,bmse000478,1
29,covalent,SING,C14,H65,,,,,9867,bmse000478,1
30,covalent,SING,C14,H66,,,,,9867,bmse000478,1
31,covalent,SING,C15,H67,,,,,9867,bmse000478,1
32,covalent,SING,C15,H68,,,,,9867,bmse000478,1
33,covalent,SING,C27,C26,,,,,9867,bmse000478,1
34,covalent,SING,C27,C4,,,,,9867,bmse000478,1
35,covalent,SING,C27,C5,,,,,9867,bmse000478,1
36,covalent,SING,C12,C13,,,,,9867,bmse000478,1
37,covalent,SING,C12,H61,,,,,9867,bmse000478,1
38,covalent,SING,C12,H62,,,,,9867,bmse000478,1
39,covalent,SING,C13,H63,,,,,9867,bmse000478,1
40,covalent,SING,C13,H64,,,,,9867,bmse000478,1
41,covalent,SING,C17,C16,,,,,9867,bmse000478,1
42,covalent,SING,C17,H71,,,,,9867,bmse000478,1
43,covalent,SING,C17,H72,,,,,9867,bmse000478,1
44,covalent,SING,C21,C11,,,,,9867,bmse000478,1
45,covalent,SING,C21,C3,,,,,9867,bmse000478,1
46,covalent,SING,C21,H77,,,,,9867,bmse000478,1
47,covalent,SING,C7,H51,,,,,9867,bmse000478,1
48,covalent,SING,C7,H52,,,,,9867,bmse000478,1
49,covalent,SING,C7,H50,,,,,9867,bmse000478,1
50,covalent,SING,C8,H54,,,,,9867,bmse000478,1
51,covalent,SING,C8,H55,,,,,9867,bmse000478,1
52,covalent,SING,C8,H53,,,,,9867,bmse000478,1
53,covalent,SING,C26,C16,,,,,9867,bmse000478,1
54,covalent,SING,C26,H80,,,,,9867,bmse000478,1
55,covalent,SING,C16,H69,,,,,9867,bmse000478,1
56,covalent,SING,C16,H70,,,,,9867,bmse000478,1
57,covalent,SING,C6,H48,,,,,9867,bmse000478,1
58,covalent,SING,C6,H49,,,,,9867,bmse000478,1
59,covalent,SING,C6,H47,,,,,9867,bmse000478,1
60,covalent,SING,C4,H41,,,,,9867,bmse000478,1
61,covalent,SING,C4,H43,,,,,9867,bmse000478,1
62,covalent,SING,C4,H42,,,,,9867,bmse000478,1
63,covalent,SING,C5,H46,,,,,9867,bmse000478,1
64,covalent,SING,C5,H45,,,,,9867,bmse000478,1
65,covalent,SING,C5,H44,,,,,9867,bmse000478,1
66,covalent,SING,C11,C9,,,,,9867,bmse000478,1
67,covalent,SING,C11,H59,,,,,9867,bmse000478,1
68,covalent,SING,C11,H60,,,,,9867,bmse000478,1
69,covalent,SING,C3,H39,,,,,9867,bmse000478,1
70,covalent,SING,C3,H40,,,,,9867,bmse000478,1
71,covalent,SING,C3,H38,,,,,9867,bmse000478,1
72,covalent,SING,C9,C10,,,,,9867,bmse000478,1
73,covalent,SING,C9,H56,,,,,9867,bmse000478,1
74,covalent,SING,C9,H57,,,,,9867,bmse000478,1
75,covalent,DOUB,C10,C20,,,,,9867,bmse000478,1
76,covalent,SING,C10,H58,,,,,9867,bmse000478,1
77,covalent,SING,C20,C1,,,,,9867,bmse000478,1
78,covalent,SING,C20,C2,,,,,9867,bmse000478,1
79,covalent,SING,C1,H34,,,,,9867,bmse000478,1
80,covalent,SING,C1,H32,,,,,9867,bmse000478,1
81,covalent,SING,C1,H33,,,,,9867,bmse000478,1
82,covalent,SING,C2,H37,,,,,9867,bmse000478,1
83,covalent,SING,C2,H36,,,,,9867,bmse000478,1
84,covalent,SING,C2,H35,,,,,9867,bmse000478,1
1,covalent,SING,O14,C11,,,,,9882,bmse000479,1
2,covalent,SING,O14,H28,,,,,9882,bmse000479,1
3,covalent,DOUB,O15,C11,,,,,9882,bmse000479,1
4,covalent,DOUB,O13,C8,,,,,9882,bmse000479,1
5,covalent,SING,C10,N12,,,,,9882,bmse000479,1
6,covalent,SING,N12,C8,,,,,9882,bmse000479,1
7,covalent,SING,N12,H27,,,,,9882,bmse000479,1
8,covalent,SING,C10,C7,,,,,9882,bmse000479,1
9,covalent,SING,C10,C11,,,,,9882,bmse000479,1
10,covalent,SING,C10,H26,,,,,9882,bmse000479,1
11,covalent,SING,C7,C9,,,,,9882,bmse000479,1
12,covalent,SING,C7,H24,,,,,9882,bmse000479,1
13,covalent,SING,C7,H25,,,,,9882,bmse000479,1
14,covalent,DOUB,C9,C5,,,,,9882,bmse000479,1
15,covalent,SING,C9,C6,,,,,9882,bmse000479,1
16,covalent,SING,C5,C3,,,,,9882,bmse000479,1
17,covalent,SING,C5,H22,,,,,9882,bmse000479,1
18,covalent,DOUB,C6,C4,,,,,9882,bmse000479,1
19,covalent,SING,C6,H23,,,,,9882,bmse000479,1
20,covalent,SING,C8,C1,,,,,9882,bmse000479,1
21,covalent,DOUB,C3,C2,,,,,9882,bmse000479,1
22,covalent,SING,C3,H20,,,,,9882,bmse000479,1
23,covalent,SING,C4,C2,,,,,9882,bmse000479,1
24,covalent,SING,C4,H21,,,,,9882,bmse000479,1
25,covalent,SING,C2,H19,,,,,9882,bmse000479,1
26,covalent,SING,C1,H16,,,,,9882,bmse000479,1
27,covalent,SING,C1,H17,,,,,9882,bmse000479,1
28,covalent,SING,C1,H18,,,,,9882,bmse000479,1
1,covalent,SING,C7,C8,,,,,9905,bmse000480,1
2,covalent,SING,C7,C5,,,,,9905,bmse000480,1
3,covalent,SING,C7,H23,,,,,9905,bmse000480,1
4,covalent,SING,C7,H24,,,,,9905,bmse000480,1
5,covalent,SING,C8,C6,,,,,9905,bmse000480,1
6,covalent,SING,C8,H25,,,,,9905,bmse000480,1
7,covalent,SING,C8,H26,,,,,9905,bmse000480,1
8,covalent,SING,C5,C3,,,,,9905,bmse000480,1
9,covalent,SING,C5,H19,,,,,9905,bmse000480,1
10,covalent,SING,C5,H20,,,,,9905,bmse000480,1
11,covalent,SING,C6,C4,,,,,9905,bmse000480,1
12,covalent,SING,C6,H21,,,,,9905,bmse000480,1
13,covalent,SING,C6,H22,,,,,9905,bmse000480,1
14,covalent,SING,C3,C1,,,,,9905,bmse000480,1
15,covalent,SING,C3,H15,,,,,9905,bmse000480,1
16,covalent,SING,C3,H16,,,,,9905,bmse000480,1
17,covalent,SING,C4,C2,,,,,9905,bmse000480,1
18,covalent,SING,C4,H17,,,,,9905,bmse000480,1
19,covalent,SING,C4,H18,,,,,9905,bmse000480,1
20,covalent,SING,C1,H11,,,,,9905,bmse000480,1
21,covalent,SING,C1,H9,,,,,9905,bmse000480,1
22,covalent,SING,C1,H10,,,,,9905,bmse000480,1
23,covalent,SING,C2,H12,,,,,9905,bmse000480,1
24,covalent,SING,C2,H13,,,,,9905,bmse000480,1
25,covalent,SING,C2,H14,,,,,9905,bmse000480,1
1,covalent,SING,O10,C8,,,,,9927,bmse000481,1
2,covalent,SING,O10,C7,,,,,9927,bmse000481,1
3,covalent,DOUB,O9,C7,,,,,9927,bmse000481,1
4,covalent,DOUB,C8,C5,,,,,9927,bmse000481,1
5,covalent,SING,C8,C6,,,,,9927,bmse000481,1
6,covalent,SING,C5,C3,,,,,9927,bmse000481,1
7,covalent,SING,C5,H17,,,,,9927,bmse000481,1
8,covalent,DOUB,C6,C4,,,,,9927,bmse000481,1
9,covalent,SING,C6,H18,,,,,9927,bmse000481,1
10,covalent,DOUB,C3,C2,,,,,9927,bmse000481,1
11,covalent,SING,C3,H15,,,,,9927,bmse000481,1
12,covalent,SING,C4,C2,,,,,9927,bmse000481,1
13,covalent,SING,C4,H16,,,,,9927,bmse000481,1
14,covalent,SING,C2,H14,,,,,9927,bmse000481,1
15,covalent,SING,C7,C1,,,,,9927,bmse000481,1
16,covalent,SING,C1,H11,,,,,9927,bmse000481,1
17,covalent,SING,C1,H12,,,,,9927,bmse000481,1
18,covalent,SING,C1,H13,,,,,9927,bmse000481,1
1,covalent,DOUB,O22,C13,,,,,9949,bmse000482,1
2,covalent,DOUB,O23,C15,,,,,9949,bmse000482,1
3,covalent,SING,C18,C21,,,,,9949,bmse000482,1
4,covalent,SING,C18,C16,,,,,9949,bmse000482,1
5,covalent,SING,C18,C7,,,,,9949,bmse000482,1
6,covalent,SING,C18,H52,,,,,9949,bmse000482,1
7,covalent,SING,C21,C17,,,,,9949,bmse000482,1
8,covalent,SING,C21,C11,,,,,9949,bmse000482,1
9,covalent,SING,C21,C3,,,,,9949,bmse000482,1
10,covalent,SING,C16,C19,,,,,9949,bmse000482,1
11,covalent,SING,C16,C5,,,,,9949,bmse000482,1
12,covalent,SING,C16,H50,,,,,9949,bmse000482,1
13,covalent,SING,C19,C20,,,,,9949,bmse000482,1
14,covalent,SING,C19,C9,,,,,9949,bmse000482,1
15,covalent,SING,C19,H53,,,,,9949,bmse000482,1
16,covalent,SING,C20,C14,,,,,9949,bmse000482,1
17,covalent,SING,C20,C10,,,,,9949,bmse000482,1
18,covalent,SING,C20,C2,,,,,9949,bmse000482,1
19,covalent,SING,C17,C6,,,,,9949,bmse000482,1
20,covalent,SING,C17,C13,,,,,9949,bmse000482,1
21,covalent,SING,C17,H51,,,,,9949,bmse000482,1
22,covalent,SING,C11,C9,,,,,9949,bmse000482,1
23,covalent,SING,C11,H47,,,,,9949,bmse000482,1
24,covalent,SING,C11,H48,,,,,9949,bmse000482,1
25,covalent,SING,C9,H43,,,,,9949,bmse000482,1
26,covalent,SING,C9,H44,,,,,9949,bmse000482,1
27,covalent,SING,C7,C6,,,,,9949,bmse000482,1
28,covalent,SING,C7,H39,,,,,9949,bmse000482,1
29,covalent,SING,C7,H40,,,,,9949,bmse000482,1
30,covalent,SING,C5,C4,,,,,9949,bmse000482,1
31,covalent,SING,C5,H35,,,,,9949,bmse000482,1
32,covalent,SING,C5,H36,,,,,9949,bmse000482,1
33,covalent,SING,C6,H37,,,,,9949,bmse000482,1
34,covalent,SING,C6,H38,,,,,9949,bmse000482,1
35,covalent,SING,C14,C4,,,,,9949,bmse000482,1
36,covalent,DOUB,C14,C12,,,,,9949,bmse000482,1
37,covalent,SING,C3,H30,,,,,9949,bmse000482,1
38,covalent,SING,C3,H32,,,,,9949,bmse000482,1
39,covalent,SING,C3,H31,,,,,9949,bmse000482,1
40,covalent,SING,C4,H33,,,,,9949,bmse000482,1
41,covalent,SING,C4,H34,,,,,9949,bmse000482,1
42,covalent,SING,C10,C8,,,,,9949,bmse000482,1
43,covalent,SING,C10,H45,,,,,9949,bmse000482,1
44,covalent,SING,C10,H46,,,,,9949,bmse000482,1
45,covalent,SING,C2,H27,,,,,9949,bmse000482,1
46,covalent,SING,C2,H29,,,,,9949,bmse000482,1
47,covalent,SING,C2,H28,,,,,9949,bmse000482,1
48,covalent,SING,C13,C1,,,,,9949,bmse000482,1
49,covalent,SING,C8,C15,,,,,9949,bmse000482,1
50,covalent,SING,C8,H41,,,,,9949,bmse000482,1
51,covalent,SING,C8,H42,,,,,9949,bmse000482,1
52,covalent,SING,C12,C15,,,,,9949,bmse000482,1
53,covalent,SING,C12,H49,,,,,9949,bmse000482,1
54,covalent,SING,C1,H25,,,,,9949,bmse000482,1
55,covalent,SING,C1,H24,,,,,9949,bmse000482,1
56,covalent,SING,C1,H26,,,,,9949,bmse000482,1
1,covalent,DOUB,O7,C4,,,,,9972,bmse000483,1
2,covalent,SING,O8,C5,,,,,9972,bmse000483,1
3,covalent,SING,O8,H16,,,,,9972,bmse000483,1
4,covalent,DOUB,O9,C5,,,,,9972,bmse000483,1
5,covalent,SING,N6,C3,,,,,9972,bmse000483,1
6,covalent,SING,N6,C4,,,,,9972,bmse000483,1
7,covalent,SING,N6,H15,,,,,9972,bmse000483,1
8,covalent,SING,C3,C1,,,,,9972,bmse000483,1
9,covalent,SING,C3,C5,,,,,9972,bmse000483,1
10,covalent,SING,C3,H14,,,,,9972,bmse000483,1
11,covalent,SING,C1,C2,,,,,9972,bmse000483,1
12,covalent,SING,C1,H10,,,,,9972,bmse000483,1
13,covalent,SING,C1,H11,,,,,9972,bmse000483,1
14,covalent,SING,C2,C4,,,,,9972,bmse000483,1
15,covalent,SING,C2,H12,,,,,9972,bmse000483,1
16,covalent,SING,C2,H13,,,,,9972,bmse000483,1
1,covalent,SING,C21,C13,,,,,9994,bmse000484,1
2,covalent,SING,C21,C27,,,,,9994,bmse000484,1
3,covalent,SING,C21,H75,,,,,9994,bmse000484,1
4,covalent,SING,C21,H76,,,,,9994,bmse000484,1
5,covalent,SING,C22,C14,,,,,9994,bmse000484,1
6,covalent,SING,C22,C28,,,,,9994,bmse000484,1
7,covalent,SING,C22,H77,,,,,9994,bmse000484,1
8,covalent,SING,C22,H78,,,,,9994,bmse000484,1
9,covalent,SING,C9,C10,,,,,9994,bmse000484,1
10,covalent,SING,C9,C17,,,,,9994,bmse000484,1
11,covalent,SING,C9,H55,,,,,9994,bmse000484,1
12,covalent,SING,C9,H56,,,,,9994,bmse000484,1
13,covalent,SING,C10,C18,,,,,9994,bmse000484,1
14,covalent,SING,C10,H57,,,,,9994,bmse000484,1
15,covalent,SING,C10,H58,,,,,9994,bmse000484,1
16,covalent,SING,C13,C23,,,,,9994,bmse000484,1
17,covalent,SING,C13,H63,,,,,9994,bmse000484,1
18,covalent,SING,C13,H64,,,,,9994,bmse000484,1
19,covalent,SING,C14,C24,,,,,9994,bmse000484,1
20,covalent,SING,C14,H65,,,,,9994,bmse000484,1
21,covalent,SING,C14,H66,,,,,9994,bmse000484,1
22,covalent,DOUB,C27,C17,,,,,9994,bmse000484,1
23,covalent,SING,C27,C5,,,,,9994,bmse000484,1
24,covalent,DOUB,C28,C18,,,,,9994,bmse000484,1
25,covalent,SING,C28,C6,,,,,9994,bmse000484,1
26,covalent,SING,C17,H69,,,,,9994,bmse000484,1
27,covalent,SING,C18,H70,,,,,9994,bmse000484,1
28,covalent,SING,C29,C19,,,,,9994,bmse000484,1
29,covalent,DOUB,C29,C23,,,,,9994,bmse000484,1
30,covalent,SING,C29,C7,,,,,9994,bmse000484,1
31,covalent,SING,C30,C20,,,,,9994,bmse000484,1
32,covalent,DOUB,C30,C24,,,,,9994,bmse000484,1
33,covalent,SING,C30,C8,,,,,9994,bmse000484,1
34,covalent,SING,C19,C11,,,,,9994,bmse000484,1
35,covalent,SING,C19,H71,,,,,9994,bmse000484,1
36,covalent,SING,C19,H72,,,,,9994,bmse000484,1
37,covalent,SING,C20,C12,,,,,9994,bmse000484,1
38,covalent,SING,C20,H73,,,,,9994,bmse000484,1
39,covalent,SING,C20,H74,,,,,9994,bmse000484,1
40,covalent,SING,C23,H79,,,,,9994,bmse000484,1
41,covalent,SING,C24,H80,,,,,9994,bmse000484,1
42,covalent,SING,C11,C15,,,,,9994,bmse000484,1
43,covalent,SING,C11,H59,,,,,9994,bmse000484,1
44,covalent,SING,C11,H60,,,,,9994,bmse000484,1
45,covalent,SING,C12,C16,,,,,9994,bmse000484,1
46,covalent,SING,C12,H61,,,,,9994,bmse000484,1
47,covalent,SING,C12,H62,,,,,9994,bmse000484,1
48,covalent,SING,C5,H44,,,,,9994,bmse000484,1
49,covalent,SING,C5,H43,,,,,9994,bmse000484,1
50,covalent,SING,C5,H45,,,,,9994,bmse000484,1
51,covalent,SING,C6,H47,,,,,9994,bmse000484,1
52,covalent,SING,C6,H48,,,,,9994,bmse000484,1
53,covalent,SING,C6,H46,,,,,9994,bmse000484,1
54,covalent,SING,C7,H49,,,,,9994,bmse000484,1
55,covalent,SING,C7,H51,,,,,9994,bmse000484,1
56,covalent,SING,C7,H50,,,,,9994,bmse000484,1
57,covalent,SING,C8,H54,,,,,9994,bmse000484,1
58,covalent,SING,C8,H52,,,,,9994,bmse000484,1
59,covalent,SING,C8,H53,,,,,9994,bmse000484,1
60,covalent,DOUB,C15,C25,,,,,9994,bmse000484,1
61,covalent,SING,C15,H67,,,,,9994,bmse000484,1
62,covalent,DOUB,C16,C26,,,,,9994,bmse000484,1
63,covalent,SING,C16,H68,,,,,9994,bmse000484,1
64,covalent,SING,C25,C1,,,,,9994,bmse000484,1
65,covalent,SING,C25,C2,,,,,9994,bmse000484,1
66,covalent,SING,C26,C3,,,,,9994,bmse000484,1
67,covalent,SING,C26,C4,,,,,9994,bmse000484,1
68,covalent,SING,C1,H33,,,,,9994,bmse000484,1
69,covalent,SING,C1,H32,,,,,9994,bmse000484,1
70,covalent,SING,C1,H31,,,,,9994,bmse000484,1
71,covalent,SING,C2,H34,,,,,9994,bmse000484,1
72,covalent,SING,C2,H35,,,,,9994,bmse000484,1
73,covalent,SING,C2,H36,,,,,9994,bmse000484,1
74,covalent,SING,C3,H38,,,,,9994,bmse000484,1
75,covalent,SING,C3,H37,,,,,9994,bmse000484,1
76,covalent,SING,C3,H39,,,,,9994,bmse000484,1
77,covalent,SING,C4,H40,,,,,9994,bmse000484,1
78,covalent,SING,C4,H41,,,,,9994,bmse000484,1
79,covalent,SING,C4,H42,,,,,9994,bmse000484,1
1,covalent,SING,O19,C18,,,,,10016,bmse000485,1
2,covalent,SING,O19,H56,,,,,10016,bmse000485,1
3,covalent,DOUB,O20,C18,,,,,10016,bmse000485,1
4,covalent,SING,C9,C10,,,,,10016,bmse000485,1
5,covalent,SING,C9,C8,,,,,10016,bmse000485,1
6,covalent,SING,C9,H38,,,,,10016,bmse000485,1
7,covalent,SING,C9,H39,,,,,10016,bmse000485,1
8,covalent,SING,C10,C11,,,,,10016,bmse000485,1
9,covalent,SING,C10,H40,,,,,10016,bmse000485,1
10,covalent,SING,C10,H41,,,,,10016,bmse000485,1
11,covalent,SING,C8,C7,,,,,10016,bmse000485,1
12,covalent,SING,C8,H36,,,,,10016,bmse000485,1
13,covalent,SING,C8,H37,,,,,10016,bmse000485,1
14,covalent,SING,C11,C12,,,,,10016,bmse000485,1
15,covalent,SING,C11,H42,,,,,10016,bmse000485,1
16,covalent,SING,C11,H43,,,,,10016,bmse000485,1
17,covalent,SING,C7,C6,,,,,10016,bmse000485,1
18,covalent,SING,C7,H34,,,,,10016,bmse000485,1
19,covalent,SING,C7,H35,,,,,10016,bmse000485,1
20,covalent,SING,C12,C13,,,,,10016,bmse000485,1
21,covalent,SING,C12,H44,,,,,10016,bmse000485,1
22,covalent,SING,C12,H45,,,,,10016,bmse000485,1
23,covalent,SING,C6,C5,,,,,10016,bmse000485,1
24,covalent,SING,C6,H32,,,,,10016,bmse000485,1
25,covalent,SING,C6,H33,,,,,10016,bmse000485,1
26,covalent,SING,C13,C14,,,,,10016,bmse000485,1
27,covalent,SING,C13,H46,,,,,10016,bmse000485,1
28,covalent,SING,C13,H47,,,,,10016,bmse000485,1
29,covalent,SING,C5,C4,,,,,10016,bmse000485,1
30,covalent,SING,C5,H30,,,,,10016,bmse000485,1
31,covalent,SING,C5,H31,,,,,10016,bmse000485,1
32,covalent,SING,C14,C15,,,,,10016,bmse000485,1
33,covalent,SING,C14,H48,,,,,10016,bmse000485,1
34,covalent,SING,C14,H49,,,,,10016,bmse000485,1
35,covalent,SING,C4,C3,,,,,10016,bmse000485,1
36,covalent,SING,C4,H28,,,,,10016,bmse000485,1
37,covalent,SING,C4,H29,,,,,10016,bmse000485,1
38,covalent,SING,C15,C16,,,,,10016,bmse000485,1
39,covalent,SING,C15,H50,,,,,10016,bmse000485,1
40,covalent,SING,C15,H51,,,,,10016,bmse000485,1
41,covalent,SING,C3,C2,,,,,10016,bmse000485,1
42,covalent,SING,C3,H26,,,,,10016,bmse000485,1
43,covalent,SING,C3,H27,,,,,10016,bmse000485,1
44,covalent,SING,C16,C17,,,,,10016,bmse000485,1
45,covalent,SING,C16,H52,,,,,10016,bmse000485,1
46,covalent,SING,C16,H53,,,,,10016,bmse000485,1
47,covalent,SING,C2,C1,,,,,10016,bmse000485,1
48,covalent,SING,C2,H24,,,,,10016,bmse000485,1
49,covalent,SING,C2,H25,,,,,10016,bmse000485,1
50,covalent,SING,C17,C18,,,,,10016,bmse000485,1
51,covalent,SING,C17,H54,,,,,10016,bmse000485,1
52,covalent,SING,C17,H55,,,,,10016,bmse000485,1
53,covalent,SING,C1,H23,,,,,10016,bmse000485,1
54,covalent,SING,C1,H21,,,,,10016,bmse000485,1
55,covalent,SING,C1,H22,,,,,10016,bmse000485,1
1,covalent,SING,O12,C7,,,,,10037,bmse000486,1
2,covalent,SING,O12,C1,,,,,10037,bmse000486,1
3,covalent,SING,O9,C6,,,,,10037,bmse000486,1
4,covalent,SING,O9,H19,,,,,10037,bmse000486,1
5,covalent,SING,O10,C8,,,,,10037,bmse000486,1
6,covalent,SING,O10,H20,,,,,10037,bmse000486,1
7,covalent,DOUB,O11,C8,,,,,10037,bmse000486,1
8,covalent,SING,C7,C4,,,,,10037,bmse000486,1
9,covalent,DOUB,C7,C6,,,,,10037,bmse000486,1
10,covalent,DOUB,C5,C4,,,,,10037,bmse000486,1
11,covalent,SING,C5,C2,,,,,10037,bmse000486,1
12,covalent,SING,C5,C8,,,,,10037,bmse000486,1
13,covalent,SING,C4,H18,,,,,10037,bmse000486,1
14,covalent,SING,C6,C3,,,,,10037,bmse000486,1
15,covalent,DOUB,C2,C3,,,,,10037,bmse000486,1
16,covalent,SING,C2,H16,,,,,10037,bmse000486,1
17,covalent,SING,C3,H17,,,,,10037,bmse000486,1
18,covalent,SING,C1,H15,,,,,10037,bmse000486,1
19,covalent,SING,C1,H14,,,,,10037,bmse000486,1
20,covalent,SING,C1,H13,,,,,10037,bmse000486,1
1,covalent,SING,O17,C16,,,,,10060,bmse000487,1
2,covalent,SING,O17,H51,,,,,10060,bmse000487,1
3,covalent,SING,C9,C8,,,,,10060,bmse000487,1
4,covalent,SING,C9,C10,,,,,10060,bmse000487,1
5,covalent,SING,C9,H35,,,,,10060,bmse000487,1
6,covalent,SING,C9,H36,,,,,10060,bmse000487,1
7,covalent,SING,C8,C7,,,,,10060,bmse000487,1
8,covalent,SING,C8,H33,,,,,10060,bmse000487,1
9,covalent,SING,C8,H34,,,,,10060,bmse000487,1
10,covalent,SING,C10,C11,,,,,10060,bmse000487,1
11,covalent,SING,C10,H37,,,,,10060,bmse000487,1
12,covalent,SING,C10,H38,,,,,10060,bmse000487,1
13,covalent,SING,C7,C6,,,,,10060,bmse000487,1
14,covalent,SING,C7,H31,,,,,10060,bmse000487,1
15,covalent,SING,C7,H32,,,,,10060,bmse000487,1
16,covalent,SING,C11,C12,,,,,10060,bmse000487,1
17,covalent,SING,C11,H39,,,,,10060,bmse000487,1
18,covalent,SING,C11,H40,,,,,10060,bmse000487,1
19,covalent,SING,C6,C5,,,,,10060,bmse000487,1
20,covalent,SING,C6,H29,,,,,10060,bmse000487,1
21,covalent,SING,C6,H30,,,,,10060,bmse000487,1
22,covalent,SING,C12,C13,,,,,10060,bmse000487,1
23,covalent,SING,C12,H41,,,,,10060,bmse000487,1
24,covalent,SING,C12,H42,,,,,10060,bmse000487,1
25,covalent,SING,C5,C4,,,,,10060,bmse000487,1
26,covalent,SING,C5,H27,,,,,10060,bmse000487,1
27,covalent,SING,C5,H28,,,,,10060,bmse000487,1
28,covalent,SING,C13,C14,,,,,10060,bmse000487,1
29,covalent,SING,C13,H43,,,,,10060,bmse000487,1
30,covalent,SING,C13,H44,,,,,10060,bmse000487,1
31,covalent,SING,C4,C3,,,,,10060,bmse000487,1
32,covalent,SING,C4,H25,,,,,10060,bmse000487,1
33,covalent,SING,C4,H26,,,,,10060,bmse000487,1
34,covalent,SING,C14,C15,,,,,10060,bmse000487,1
35,covalent,SING,C14,H45,,,,,10060,bmse000487,1
36,covalent,SING,C14,H46,,,,,10060,bmse000487,1
37,covalent,SING,C3,C2,,,,,10060,bmse000487,1
38,covalent,SING,C3,H23,,,,,10060,bmse000487,1
39,covalent,SING,C3,H24,,,,,10060,bmse000487,1
40,covalent,SING,C15,C16,,,,,10060,bmse000487,1
41,covalent,SING,C15,H47,,,,,10060,bmse000487,1
42,covalent,SING,C15,H48,,,,,10060,bmse000487,1
43,covalent,SING,C2,C1,,,,,10060,bmse000487,1
44,covalent,SING,C2,H21,,,,,10060,bmse000487,1
45,covalent,SING,C2,H22,,,,,10060,bmse000487,1
46,covalent,SING,C16,H49,,,,,10060,bmse000487,1
47,covalent,SING,C16,H50,,,,,10060,bmse000487,1
48,covalent,SING,C1,H20,,,,,10060,bmse000487,1
49,covalent,SING,C1,H18,,,,,10060,bmse000487,1
50,covalent,SING,C1,H19,,,,,10060,bmse000487,1
1,covalent,SING,N12,C10,,,,,10081,bmse000488,1
2,covalent,SING,N12,C7,,,,,10081,bmse000488,1
3,covalent,SING,N12,H20,,,,,10081,bmse000488,1
4,covalent,TRIP,N11,C6,,,,,10081,bmse000488,1
5,covalent,SING,C9,C8,,,,,10081,bmse000488,1
6,covalent,SING,C9,C10,,,,,10081,bmse000488,1
7,covalent,DOUB,C9,C3,,,,,10081,bmse000488,1
8,covalent,DOUB,C8,C7,,,,,10081,bmse000488,1
9,covalent,SING,C8,C5,,,,,10081,bmse000488,1
10,covalent,DOUB,C10,C4,,,,,10081,bmse000488,1
11,covalent,SING,C7,H19,,,,,10081,bmse000488,1
12,covalent,SING,C3,C1,,,,,10081,bmse000488,1
13,covalent,SING,C3,H15,,,,,10081,bmse000488,1
14,covalent,SING,C5,C6,,,,,10081,bmse000488,1
15,covalent,SING,C5,H17,,,,,10081,bmse000488,1
16,covalent,SING,C5,H18,,,,,10081,bmse000488,1
17,covalent,SING,C4,C2,,,,,10081,bmse000488,1
18,covalent,SING,C4,H16,,,,,10081,bmse000488,1
19,covalent,DOUB,C1,C2,,,,,10081,bmse000488,1
20,covalent,SING,C1,H13,,,,,10081,bmse000488,1
21,covalent,SING,C2,H14,,,,,10081,bmse000488,1
1,covalent,DOUB,O28,C21,,,,,10104,bmse000489,1
2,covalent,SING,C27,C24,,,,,10104,bmse000489,1
3,covalent,SING,C27,C23,,,,,10104,bmse000489,1
4,covalent,SING,C27,C16,,,,,10104,bmse000489,1
5,covalent,SING,C27,C5,,,,,10104,bmse000489,1
6,covalent,SING,C24,C22,,,,,10104,bmse000489,1
7,covalent,SING,C24,C12,,,,,10104,bmse000489,1
8,covalent,SING,C24,H73,,,,,10104,bmse000489,1
9,covalent,SING,C22,C25,,,,,10104,bmse000489,1
10,covalent,SING,C22,C10,,,,,10104,bmse000489,1
11,covalent,SING,C22,H71,,,,,10104,bmse000489,1
12,covalent,SING,C25,C26,,,,,10104,bmse000489,1
13,covalent,SING,C25,C14,,,,,10104,bmse000489,1
14,covalent,SING,C25,H74,,,,,10104,bmse000489,1
15,covalent,SING,C26,C20,,,,,10104,bmse000489,1
16,covalent,SING,C26,C15,,,,,10104,bmse000489,1
17,covalent,SING,C26,C4,,,,,10104,bmse000489,1
18,covalent,SING,C23,C11,,,,,10104,bmse000489,1
19,covalent,SING,C23,C19,,,,,10104,bmse000489,1
20,covalent,SING,C23,H72,,,,,10104,bmse000489,1
21,covalent,SING,C16,C14,,,,,10104,bmse000489,1
22,covalent,SING,C16,H64,,,,,10104,bmse000489,1
23,covalent,SING,C16,H65,,,,,10104,bmse000489,1
24,covalent,SING,C14,H60,,,,,10104,bmse000489,1
25,covalent,SING,C14,H61,,,,,10104,bmse000489,1
26,covalent,SING,C12,C11,,,,,10104,bmse000489,1
27,covalent,SING,C12,H56,,,,,10104,bmse000489,1
28,covalent,SING,C12,H57,,,,,10104,bmse000489,1
29,covalent,SING,C20,C9,,,,,10104,bmse000489,1
30,covalent,SING,C20,C17,,,,,10104,bmse000489,1
31,covalent,SING,C20,H70,,,,,10104,bmse000489,1
32,covalent,SING,C10,C9,,,,,10104,bmse000489,1
33,covalent,SING,C10,H52,,,,,10104,bmse000489,1
34,covalent,SING,C10,H53,,,,,10104,bmse000489,1
35,covalent,SING,C11,H54,,,,,10104,bmse000489,1
36,covalent,SING,C11,H55,,,,,10104,bmse000489,1
37,covalent,SING,C9,H50,,,,,10104,bmse000489,1
38,covalent,SING,C9,H51,,,,,10104,bmse000489,1
39,covalent,SING,C15,C13,,,,,10104,bmse000489,1
40,covalent,SING,C15,H62,,,,,10104,bmse000489,1
41,covalent,SING,C15,H63,,,,,10104,bmse000489,1
42,covalent,SING,C5,H41,,,,,10104,bmse000489,1
43,covalent,SING,C5,H43,,,,,10104,bmse000489,1
44,covalent,SING,C5,H42,,,,,10104,bmse000489,1
45,covalent,SING,C19,C8,,,,,10104,bmse000489,1
46,covalent,SING,C19,C3,,,,,10104,bmse000489,1
47,covalent,SING,C19,H69,,,,,10104,bmse000489,1
48,covalent,SING,C4,H40,,,,,10104,bmse000489,1
49,covalent,SING,C4,H38,,,,,10104,bmse000489,1
50,covalent,SING,C4,H39,,,,,10104,bmse000489,1
51,covalent,SING,C17,C21,,,,,10104,bmse000489,1
52,covalent,SING,C17,H66,,,,,10104,bmse000489,1
53,covalent,SING,C17,H67,,,,,10104,bmse000489,1
54,covalent,SING,C13,C21,,,,,10104,bmse000489,1
55,covalent,SING,C13,H58,,,,,10104,bmse000489,1
56,covalent,SING,C13,H59,,,,,10104,bmse000489,1
57,covalent,SING,C8,C6,,,,,10104,bmse000489,1
58,covalent,SING,C8,H48,,,,,10104,bmse000489,1
59,covalent,SING,C8,H49,,,,,10104,bmse000489,1
60,covalent,SING,C3,H37,,,,,10104,bmse000489,1
61,covalent,SING,C3,H36,,,,,10104,bmse000489,1
62,covalent,SING,C3,H35,,,,,10104,bmse000489,1
63,covalent,SING,C6,C7,,,,,10104,bmse000489,1
64,covalent,SING,C6,H44,,,,,10104,bmse000489,1
65,covalent,SING,C6,H45,,,,,10104,bmse000489,1
66,covalent,SING,C7,C18,,,,,10104,bmse000489,1
67,covalent,SING,C7,H46,,,,,10104,bmse000489,1
68,covalent,SING,C7,H47,,,,,10104,bmse000489,1
69,covalent,SING,C18,C1,,,,,10104,bmse000489,1
70,covalent,SING,C18,C2,,,,,10104,bmse000489,1
71,covalent,SING,C18,H68,,,,,10104,bmse000489,1
72,covalent,SING,C1,H31,,,,,10104,bmse000489,1
73,covalent,SING,C1,H29,,,,,10104,bmse000489,1
74,covalent,SING,C1,H30,,,,,10104,bmse000489,1
75,covalent,SING,C2,H32,,,,,10104,bmse000489,1
76,covalent,SING,C2,H34,,,,,10104,bmse000489,1
77,covalent,SING,C2,H33,,,,,10104,bmse000489,1
1,covalent,DOUB,O22,C13,,,,,10126,bmse000490,1
2,covalent,DOUB,O23,C15,,,,,10126,bmse000490,1
3,covalent,SING,C16,C18,,,,,10126,bmse000490,1
4,covalent,SING,C16,C19,,,,,10126,bmse000490,1
5,covalent,SING,C16,C5,,,,,10126,bmse000490,1
6,covalent,SING,C16,H52,,,,,10126,bmse000490,1
7,covalent,SING,C18,C21,,,,,10126,bmse000490,1
8,covalent,SING,C18,C7,,,,,10126,bmse000490,1
9,covalent,SING,C18,H54,,,,,10126,bmse000490,1
10,covalent,SING,C19,C20,,,,,10126,bmse000490,1
11,covalent,SING,C19,C9,,,,,10126,bmse000490,1
12,covalent,SING,C19,H55,,,,,10126,bmse000490,1
13,covalent,SING,C21,C11,,,,,10126,bmse000490,1
14,covalent,SING,C21,C17,,,,,10126,bmse000490,1
15,covalent,SING,C21,C3,,,,,10126,bmse000490,1
16,covalent,SING,C20,C14,,,,,10126,bmse000490,1
17,covalent,SING,C20,C10,,,,,10126,bmse000490,1
18,covalent,SING,C20,C2,,,,,10126,bmse000490,1
19,covalent,SING,C9,C11,,,,,10126,bmse000490,1
20,covalent,SING,C9,H43,,,,,10126,bmse000490,1
21,covalent,SING,C9,H44,,,,,10126,bmse000490,1
22,covalent,SING,C14,C4,,,,,10126,bmse000490,1
23,covalent,SING,C14,C12,,,,,10126,bmse000490,1
24,covalent,SING,C14,H51,,,,,10126,bmse000490,1
25,covalent,SING,C11,H47,,,,,10126,bmse000490,1
26,covalent,SING,C11,H48,,,,,10126,bmse000490,1
27,covalent,SING,C17,C6,,,,,10126,bmse000490,1
28,covalent,SING,C17,C13,,,,,10126,bmse000490,1
29,covalent,SING,C17,H53,,,,,10126,bmse000490,1
30,covalent,SING,C5,C4,,,,,10126,bmse000490,1
31,covalent,SING,C5,H35,,,,,10126,bmse000490,1
32,covalent,SING,C5,H36,,,,,10126,bmse000490,1
33,covalent,SING,C7,C6,,,,,10126,bmse000490,1
34,covalent,SING,C7,H39,,,,,10126,bmse000490,1
35,covalent,SING,C7,H40,,,,,10126,bmse000490,1
36,covalent,SING,C4,H33,,,,,10126,bmse000490,1
37,covalent,SING,C4,H34,,,,,10126,bmse000490,1
38,covalent,SING,C6,H37,,,,,10126,bmse000490,1
39,covalent,SING,C6,H38,,,,,10126,bmse000490,1
40,covalent,SING,C10,C8,,,,,10126,bmse000490,1
41,covalent,SING,C10,H45,,,,,10126,bmse000490,1
42,covalent,SING,C10,H46,,,,,10126,bmse000490,1
43,covalent,SING,C3,H32,,,,,10126,bmse000490,1
44,covalent,SING,C3,H30,,,,,10126,bmse000490,1
45,covalent,SING,C3,H31,,,,,10126,bmse000490,1
46,covalent,SING,C2,H29,,,,,10126,bmse000490,1
47,covalent,SING,C2,H27,,,,,10126,bmse000490,1
48,covalent,SING,C2,H28,,,,,10126,bmse000490,1
49,covalent,SING,C12,C15,,,,,10126,bmse000490,1
50,covalent,SING,C12,H49,,,,,10126,bmse000490,1
51,covalent,SING,C12,H50,,,,,10126,bmse000490,1
52,covalent,SING,C8,C15,,,,,10126,bmse000490,1
53,covalent,SING,C8,H41,,,,,10126,bmse000490,1
54,covalent,SING,C8,H42,,,,,10126,bmse000490,1
55,covalent,SING,C13,C1,,,,,10126,bmse000490,1
56,covalent,SING,C1,H25,,,,,10126,bmse000490,1
57,covalent,SING,C1,H26,,,,,10126,bmse000490,1
58,covalent,SING,C1,H24,,,,,10126,bmse000490,1
1,covalent,SING,O11,C10,,,,,10148,bmse000491,1
2,covalent,SING,O11,C8,,,,,10148,bmse000491,1
3,covalent,SING,C7,C10,,,,,10148,bmse000491,1
4,covalent,SING,C7,C9,,,,,10148,bmse000491,1
5,covalent,SING,C7,C4,,,,,10148,bmse000491,1
6,covalent,SING,C7,H26,,,,,10148,bmse000491,1
7,covalent,SING,C10,C8,,,,,10148,bmse000491,1
8,covalent,SING,C10,C3,,,,,10148,bmse000491,1
9,covalent,SING,C9,C6,,,,,10148,bmse000491,1
10,covalent,SING,C9,C1,,,,,10148,bmse000491,1
11,covalent,SING,C9,C2,,,,,10148,bmse000491,1
12,covalent,SING,C6,C4,,,,,10148,bmse000491,1
13,covalent,SING,C6,C5,,,,,10148,bmse000491,1
14,covalent,SING,C6,H25,,,,,10148,bmse000491,1
15,covalent,SING,C8,C5,,,,,10148,bmse000491,1
16,covalent,SING,C8,H27,,,,,10148,bmse000491,1
17,covalent,SING,C4,H21,,,,,10148,bmse000491,1
18,covalent,SING,C4,H22,,,,,10148,bmse000491,1
19,covalent,SING,C5,H23,,,,,10148,bmse000491,1
20,covalent,SING,C5,H24,,,,,10148,bmse000491,1
21,covalent,SING,C3,H18,,,,,10148,bmse000491,1
22,covalent,SING,C3,H20,,,,,10148,bmse000491,1
23,covalent,SING,C3,H19,,,,,10148,bmse000491,1
24,covalent,SING,C1,H14,,,,,10148,bmse000491,1
25,covalent,SING,C1,H12,,,,,10148,bmse000491,1
26,covalent,SING,C1,H13,,,,,10148,bmse000491,1
27,covalent,SING,C2,H15,,,,,10148,bmse000491,1
28,covalent,SING,C2,H17,,,,,10148,bmse000491,1
29,covalent,SING,C2,H16,,,,,10148,bmse000491,1
1,covalent,SING,O31,C29,,,,,10168,bmse000492,1
2,covalent,SING,O31,C28,,,,,10168,bmse000492,1
3,covalent,SING,O30,C27,,,,,10168,bmse000492,1
4,covalent,SING,O30,H81,,,,,10168,bmse000492,1
5,covalent,SING,C29,C18,,,,,10168,bmse000492,1
6,covalent,SING,C29,C19,,,,,10168,bmse000492,1
7,covalent,SING,C29,C8,,,,,10168,bmse000492,1
8,covalent,SING,C18,C11,,,,,10168,bmse000492,1
9,covalent,SING,C18,H74,,,,,10168,bmse000492,1
10,covalent,SING,C18,H75,,,,,10168,bmse000492,1
11,covalent,SING,C19,C17,,,,,10168,bmse000492,1
12,covalent,SING,C19,H76,,,,,10168,bmse000492,1
13,covalent,SING,C19,H77,,,,,10168,bmse000492,1
14,covalent,SING,C11,C16,,,,,10168,bmse000492,1
15,covalent,SING,C11,H60,,,,,10168,bmse000492,1
16,covalent,SING,C11,H61,,,,,10168,bmse000492,1
17,covalent,SING,C22,C16,,,,,10168,bmse000492,1
18,covalent,SING,C22,C15,,,,,10168,bmse000492,1
19,covalent,SING,C22,C4,,,,,10168,bmse000492,1
20,covalent,SING,C22,H80,,,,,10168,bmse000492,1
21,covalent,SING,C16,H70,,,,,10168,bmse000492,1
22,covalent,SING,C16,H71,,,,,10168,bmse000492,1
23,covalent,SING,C17,C26,,,,,10168,bmse000492,1
24,covalent,SING,C17,H72,,,,,10168,bmse000492,1
25,covalent,SING,C17,H73,,,,,10168,bmse000492,1
26,covalent,SING,C15,C10,,,,,10168,bmse000492,1
27,covalent,SING,C15,H68,,,,,10168,bmse000492,1
28,covalent,SING,C15,H69,,,,,10168,bmse000492,1
29,covalent,SING,C8,H53,,,,,10168,bmse000492,1
30,covalent,SING,C8,H54,,,,,10168,bmse000492,1
31,covalent,SING,C8,H55,,,,,10168,bmse000492,1
32,covalent,SING,C26,C28,,,,,10168,bmse000492,1
33,covalent,DOUB,C26,C25,,,,,10168,bmse000492,1
34,covalent,SING,C10,C14,,,,,10168,bmse000492,1
35,covalent,SING,C10,H58,,,,,10168,bmse000492,1
36,covalent,SING,C10,H59,,,,,10168,bmse000492,1
37,covalent,DOUB,C28,C24,,,,,10168,bmse000492,1
38,covalent,SING,C14,C21,,,,,10168,bmse000492,1
39,covalent,SING,C14,H66,,,,,10168,bmse000492,1
40,covalent,SING,C14,H67,,,,,10168,bmse000492,1
41,covalent,SING,C21,C13,,,,,10168,bmse000492,1
42,covalent,SING,C21,C3,,,,,10168,bmse000492,1
43,covalent,SING,C21,H79,,,,,10168,bmse000492,1
44,covalent,SING,C4,H42,,,,,10168,bmse000492,1
45,covalent,SING,C4,H41,,,,,10168,bmse000492,1
46,covalent,SING,C4,H43,,,,,10168,bmse000492,1
47,covalent,SING,C13,C9,,,,,10168,bmse000492,1
48,covalent,SING,C13,H64,,,,,10168,bmse000492,1
49,covalent,SING,C13,H65,,,,,10168,bmse000492,1
50,covalent,SING,C25,C27,,,,,10168,bmse000492,1
51,covalent,SING,C25,C7,,,,,10168,bmse000492,1
52,covalent,SING,C24,C23,,,,,10168,bmse000492,1
53,covalent,SING,C24,C6,,,,,10168,bmse000492,1
54,covalent,SING,C9,C12,,,,,10168,bmse000492,1
55,covalent,SING,C9,H56,,,,,10168,bmse000492,1
56,covalent,SING,C9,H57,,,,,10168,bmse000492,1
57,covalent,DOUB,C23,C27,,,,,10168,bmse000492,1
58,covalent,SING,C23,C5,,,,,10168,bmse000492,1
59,covalent,SING,C3,H38,,,,,10168,bmse000492,1
60,covalent,SING,C3,H40,,,,,10168,bmse000492,1
61,covalent,SING,C3,H39,,,,,10168,bmse000492,1
62,covalent,SING,C12,C20,,,,,10168,bmse000492,1
63,covalent,SING,C12,H62,,,,,10168,bmse000492,1
64,covalent,SING,C12,H63,,,,,10168,bmse000492,1
65,covalent,SING,C20,C1,,,,,10168,bmse000492,1
66,covalent,SING,C20,C2,,,,,10168,bmse000492,1
67,covalent,SING,C20,H78,,,,,10168,bmse000492,1
68,covalent,SING,C7,H51,,,,,10168,bmse000492,1
69,covalent,SING,C7,H52,,,,,10168,bmse000492,1
70,covalent,SING,C7,H50,,,,,10168,bmse000492,1
71,covalent,SING,C6,H48,,,,,10168,bmse000492,1
72,covalent,SING,C6,H49,,,,,10168,bmse000492,1
73,covalent,SING,C6,H47,,,,,10168,bmse000492,1
74,covalent,SING,C5,H44,,,,,10168,bmse000492,1
75,covalent,SING,C5,H45,,,,,10168,bmse000492,1
76,covalent,SING,C5,H46,,,,,10168,bmse000492,1
77,covalent,SING,C1,H32,,,,,10168,bmse000492,1
78,covalent,SING,C1,H33,,,,,10168,bmse000492,1
79,covalent,SING,C1,H34,,,,,10168,bmse000492,1
80,covalent,SING,C2,H37,,,,,10168,bmse000492,1
81,covalent,SING,C2,H35,,,,,10168,bmse000492,1
82,covalent,SING,C2,H36,,,,,10168,bmse000492,1
1,covalent,SING,O8,C5,,,,,10185,bmse000493,1
2,covalent,SING,O8,C6,,,,,10185,bmse000493,1
3,covalent,DOUB,O7,C6,,,,,10185,bmse000493,1
4,covalent,SING,C1,C2,,,,,10185,bmse000493,1
5,covalent,SING,C1,C3,,,,,10185,bmse000493,1
6,covalent,SING,C1,H9,,,,,10185,bmse000493,1
7,covalent,SING,C1,H10,,,,,10185,bmse000493,1
8,covalent,SING,C2,C4,,,,,10185,bmse000493,1
9,covalent,SING,C2,H11,,,,,10185,bmse000493,1
10,covalent,SING,C2,H12,,,,,10185,bmse000493,1
11,covalent,SING,C3,C5,,,,,10185,bmse000493,1
12,covalent,SING,C3,H13,,,,,10185,bmse000493,1
13,covalent,SING,C3,H14,,,,,10185,bmse000493,1
14,covalent,SING,C4,C6,,,,,10185,bmse000493,1
15,covalent,SING,C4,H15,,,,,10185,bmse000493,1
16,covalent,SING,C4,H16,,,,,10185,bmse000493,1
17,covalent,SING,C5,H17,,,,,10185,bmse000493,1
18,covalent,SING,C5,H18,,,,,10185,bmse000493,1
1,covalent,SING,C22,O29,,,,,10206,bmse000494,1
2,covalent,SING,O29,H73,,,,,10206,bmse000494,1
3,covalent,SING,C28,C25,,,,,10206,bmse000494,1
4,covalent,SING,C28,C24,,,,,10206,bmse000494,1
5,covalent,SING,C28,C16,,,,,10206,bmse000494,1
6,covalent,SING,C28,C6,,,,,10206,bmse000494,1
7,covalent,SING,C25,C23,,,,,10206,bmse000494,1
8,covalent,SING,C25,C12,,,,,10206,bmse000494,1
9,covalent,SING,C25,H71,,,,,10206,bmse000494,1
10,covalent,SING,C24,C11,,,,,10206,bmse000494,1
11,covalent,SING,C24,C20,,,,,10206,bmse000494,1
12,covalent,SING,C24,H70,,,,,10206,bmse000494,1
13,covalent,SING,C26,C23,,,,,10206,bmse000494,1
14,covalent,SING,C26,C27,,,,,10206,bmse000494,1
15,covalent,SING,C26,C14,,,,,10206,bmse000494,1
16,covalent,SING,C26,H72,,,,,10206,bmse000494,1
17,covalent,SING,C16,C14,,,,,10206,bmse000494,1
18,covalent,SING,C16,H62,,,,,10206,bmse000494,1
19,covalent,SING,C16,H63,,,,,10206,bmse000494,1
20,covalent,DOUB,C23,C10,,,,,10206,bmse000494,1
21,covalent,SING,C12,C11,,,,,10206,bmse000494,1
22,covalent,SING,C12,H54,,,,,10206,bmse000494,1
23,covalent,SING,C12,H55,,,,,10206,bmse000494,1
24,covalent,SING,C27,C21,,,,,10206,bmse000494,1
25,covalent,SING,C27,C15,,,,,10206,bmse000494,1
26,covalent,SING,C27,C5,,,,,10206,bmse000494,1
27,covalent,SING,C11,H52,,,,,10206,bmse000494,1
28,covalent,SING,C11,H53,,,,,10206,bmse000494,1
29,covalent,SING,C14,H58,,,,,10206,bmse000494,1
30,covalent,SING,C14,H59,,,,,10206,bmse000494,1
31,covalent,SING,C6,H47,,,,,10206,bmse000494,1
32,covalent,SING,C6,H45,,,,,10206,bmse000494,1
33,covalent,SING,C6,H46,,,,,10206,bmse000494,1
34,covalent,SING,C20,C4,,,,,10206,bmse000494,1
35,covalent,SING,C20,C8,,,,,10206,bmse000494,1
36,covalent,SING,C20,H68,,,,,10206,bmse000494,1
37,covalent,DOUB,C21,C9,,,,,10206,bmse000494,1
38,covalent,SING,C21,C17,,,,,10206,bmse000494,1
39,covalent,SING,C15,C13,,,,,10206,bmse000494,1
40,covalent,SING,C15,H60,,,,,10206,bmse000494,1
41,covalent,SING,C15,H61,,,,,10206,bmse000494,1
42,covalent,SING,C10,C9,,,,,10206,bmse000494,1
43,covalent,SING,C10,H51,,,,,10206,bmse000494,1
44,covalent,SING,C5,H44,,,,,10206,bmse000494,1
45,covalent,SING,C5,H42,,,,,10206,bmse000494,1
46,covalent,SING,C5,H43,,,,,10206,bmse000494,1
47,covalent,SING,C9,H50,,,,,10206,bmse000494,1
48,covalent,SING,C17,C22,,,,,10206,bmse000494,1
49,covalent,SING,C17,H64,,,,,10206,bmse000494,1
50,covalent,SING,C17,H65,,,,,10206,bmse000494,1
51,covalent,SING,C13,C22,,,,,10206,bmse000494,1
52,covalent,SING,C13,H56,,,,,10206,bmse000494,1
53,covalent,SING,C13,H57,,,,,10206,bmse000494,1
54,covalent,SING,C22,H69,,,,,10206,bmse000494,1
55,covalent,SING,C4,H39,,,,,10206,bmse000494,1
56,covalent,SING,C4,H40,,,,,10206,bmse000494,1
57,covalent,SING,C4,H41,,,,,10206,bmse000494,1
58,covalent,DOUB,C8,C7,,,,,10206,bmse000494,1
59,covalent,SING,C8,H49,,,,,10206,bmse000494,1
60,covalent,SING,C7,C19,,,,,10206,bmse000494,1
61,covalent,SING,C7,H48,,,,,10206,bmse000494,1
62,covalent,SING,C19,C18,,,,,10206,bmse000494,1
63,covalent,SING,C19,C3,,,,,10206,bmse000494,1
64,covalent,SING,C19,H67,,,,,10206,bmse000494,1
65,covalent,SING,C18,C1,,,,,10206,bmse000494,1
66,covalent,SING,C18,C2,,,,,10206,bmse000494,1
67,covalent,SING,C18,H66,,,,,10206,bmse000494,1
68,covalent,SING,C3,H38,,,,,10206,bmse000494,1
69,covalent,SING,C3,H36,,,,,10206,bmse000494,1
70,covalent,SING,C3,H37,,,,,10206,bmse000494,1
71,covalent,SING,C1,H31,,,,,10206,bmse000494,1
72,covalent,SING,C1,H32,,,,,10206,bmse000494,1
73,covalent,SING,C1,H30,,,,,10206,bmse000494,1
74,covalent,SING,C2,H33,,,,,10206,bmse000494,1
75,covalent,SING,C2,H35,,,,,10206,bmse000494,1
76,covalent,SING,C2,H34,,,,,10206,bmse000494,1
1,covalent,SING,C8,O11,,,,,10229,bmse000495,1
2,covalent,SING,O11,H29,,,,,10229,bmse000495,1
3,covalent,SING,C10,C8,,,,,10229,bmse000495,1
4,covalent,SING,C10,C6,,,,,10229,bmse000495,1
5,covalent,SING,C10,C5,,,,,10229,bmse000495,1
6,covalent,SING,C10,C3,,,,,10229,bmse000495,1
7,covalent,SING,C7,C9,,,,,10229,bmse000495,1
8,covalent,SING,C7,C6,,,,,10229,bmse000495,1
9,covalent,SING,C7,C4,,,,,10229,bmse000495,1
10,covalent,SING,C7,H27,,,,,10229,bmse000495,1
11,covalent,SING,C9,C8,,,,,10229,bmse000495,1
12,covalent,SING,C9,C1,,,,,10229,bmse000495,1
13,covalent,SING,C9,C2,,,,,10229,bmse000495,1
14,covalent,SING,C8,H28,,,,,10229,bmse000495,1
15,covalent,SING,C6,H25,,,,,10229,bmse000495,1
16,covalent,SING,C6,H26,,,,,10229,bmse000495,1
17,covalent,SING,C5,C4,,,,,10229,bmse000495,1
18,covalent,SING,C5,H23,,,,,10229,bmse000495,1
19,covalent,SING,C5,H24,,,,,10229,bmse000495,1
20,covalent,SING,C4,H21,,,,,10229,bmse000495,1
21,covalent,SING,C4,H22,,,,,10229,bmse000495,1
22,covalent,SING,C3,H18,,,,,10229,bmse000495,1
23,covalent,SING,C3,H19,,,,,10229,bmse000495,1
24,covalent,SING,C3,H20,,,,,10229,bmse000495,1
25,covalent,SING,C1,H12,,,,,10229,bmse000495,1
26,covalent,SING,C1,H13,,,,,10229,bmse000495,1
27,covalent,SING,C1,H14,,,,,10229,bmse000495,1
28,covalent,SING,C2,H17,,,,,10229,bmse000495,1
29,covalent,SING,C2,H15,,,,,10229,bmse000495,1
30,covalent,SING,C2,H16,,,,,10229,bmse000495,1
1,covalent,DOUB,O10,C9,,,,,10251,bmse000496,1
2,covalent,SING,C5,C6,,,,,10251,bmse000496,1
3,covalent,SING,C5,C7,,,,,10251,bmse000496,1
4,covalent,SING,C5,H15,,,,,10251,bmse000496,1
5,covalent,SING,C5,H16,,,,,10251,bmse000496,1
6,covalent,SING,C6,C9,,,,,10251,bmse000496,1
7,covalent,SING,C6,H17,,,,,10251,bmse000496,1
8,covalent,SING,C6,H18,,,,,10251,bmse000496,1
9,covalent,SING,C7,C8,,,,,10251,bmse000496,1
10,covalent,DOUB,C7,C3,,,,,10251,bmse000496,1
11,covalent,SING,C8,C9,,,,,10251,bmse000496,1
12,covalent,DOUB,C8,C4,,,,,10251,bmse000496,1
13,covalent,SING,C3,C1,,,,,10251,bmse000496,1
14,covalent,SING,C3,H13,,,,,10251,bmse000496,1
15,covalent,SING,C4,C2,,,,,10251,bmse000496,1
16,covalent,SING,C4,H14,,,,,10251,bmse000496,1
17,covalent,DOUB,C1,C2,,,,,10251,bmse000496,1
18,covalent,SING,C1,H11,,,,,10251,bmse000496,1
19,covalent,SING,C2,H12,,,,,10251,bmse000496,1
1,covalent,SING,O19,C18,,,,,10275,bmse000497,1
2,covalent,SING,O19,H52,,,,,10275,bmse000497,1
3,covalent,DOUB,O20,C18,,,,,10275,bmse000497,1
4,covalent,SING,C14,C13,,,,,10275,bmse000497,1
5,covalent,SING,C14,C15,,,,,10275,bmse000497,1
6,covalent,SING,C14,H44,,,,,10275,bmse000497,1
7,covalent,SING,C14,H45,,,,,10275,bmse000497,1
8,covalent,SING,C13,C12,,,,,10275,bmse000497,1
9,covalent,SING,C13,H42,,,,,10275,bmse000497,1
10,covalent,SING,C13,H43,,,,,10275,bmse000497,1
11,covalent,SING,C15,C16,,,,,10275,bmse000497,1
12,covalent,SING,C15,H46,,,,,10275,bmse000497,1
13,covalent,SING,C15,H47,,,,,10275,bmse000497,1
14,covalent,SING,C12,C11,,,,,10275,bmse000497,1
15,covalent,SING,C12,H40,,,,,10275,bmse000497,1
16,covalent,SING,C12,H41,,,,,10275,bmse000497,1
17,covalent,SING,C16,C17,,,,,10275,bmse000497,1
18,covalent,SING,C16,H48,,,,,10275,bmse000497,1
19,covalent,SING,C16,H49,,,,,10275,bmse000497,1
20,covalent,SING,C11,C10,,,,,10275,bmse000497,1
21,covalent,SING,C11,H38,,,,,10275,bmse000497,1
22,covalent,SING,C11,H39,,,,,10275,bmse000497,1
23,covalent,SING,C17,C18,,,,,10275,bmse000497,1
24,covalent,SING,C17,H50,,,,,10275,bmse000497,1
25,covalent,SING,C17,H51,,,,,10275,bmse000497,1
26,covalent,SING,C4,C3,,,,,10275,bmse000497,1
27,covalent,SING,C4,C5,,,,,10275,bmse000497,1
28,covalent,SING,C4,H28,,,,,10275,bmse000497,1
29,covalent,SING,C4,H29,,,,,10275,bmse000497,1
30,covalent,SING,C3,C2,,,,,10275,bmse000497,1
31,covalent,SING,C3,H26,,,,,10275,bmse000497,1
32,covalent,SING,C3,H27,,,,,10275,bmse000497,1
33,covalent,DOUB,C10,C9,,,,,10275,bmse000497,1
34,covalent,SING,C10,H37,,,,,10275,bmse000497,1
35,covalent,SING,C5,C6,,,,,10275,bmse000497,1
36,covalent,SING,C5,H30,,,,,10275,bmse000497,1
37,covalent,SING,C5,H31,,,,,10275,bmse000497,1
38,covalent,SING,C2,C1,,,,,10275,bmse000497,1
39,covalent,SING,C2,H24,,,,,10275,bmse000497,1
40,covalent,SING,C2,H25,,,,,10275,bmse000497,1
41,covalent,SING,C9,C8,,,,,10275,bmse000497,1
42,covalent,SING,C9,H36,,,,,10275,bmse000497,1
43,covalent,SING,C8,C7,,,,,10275,bmse000497,1
44,covalent,SING,C8,H34,,,,,10275,bmse000497,1
45,covalent,SING,C8,H35,,,,,10275,bmse000497,1
46,covalent,DOUB,C6,C7,,,,,10275,bmse000497,1
47,covalent,SING,C6,H32,,,,,10275,bmse000497,1
48,covalent,SING,C7,H33,,,,,10275,bmse000497,1
49,covalent,SING,C1,H21,,,,,10275,bmse000497,1
50,covalent,SING,C1,H22,,,,,10275,bmse000497,1
51,covalent,SING,C1,H23,,,,,10275,bmse000497,1
1,covalent,SING,C10,O11,,,,,10298,bmse000498,1
2,covalent,SING,O11,H31,,,,,10298,bmse000498,1
3,covalent,SING,C9,C10,,,,,10298,bmse000498,1
4,covalent,SING,C9,C5,,,,,10298,bmse000498,1
5,covalent,SING,C9,C7,,,,,10298,bmse000498,1
6,covalent,SING,C9,H29,,,,,10298,bmse000498,1
7,covalent,SING,C10,C6,,,,,10298,bmse000498,1
8,covalent,SING,C10,H30,,,,,10298,bmse000498,1
9,covalent,SING,C5,C4,,,,,10298,bmse000498,1
10,covalent,SING,C5,H23,,,,,10298,bmse000498,1
11,covalent,SING,C5,H24,,,,,10298,bmse000498,1
12,covalent,SING,C8,C6,,,,,10298,bmse000498,1
13,covalent,SING,C8,C4,,,,,10298,bmse000498,1
14,covalent,SING,C8,C3,,,,,10298,bmse000498,1
15,covalent,SING,C8,H28,,,,,10298,bmse000498,1
16,covalent,SING,C6,H25,,,,,10298,bmse000498,1
17,covalent,SING,C6,H26,,,,,10298,bmse000498,1
18,covalent,SING,C4,H21,,,,,10298,bmse000498,1
19,covalent,SING,C4,H22,,,,,10298,bmse000498,1
20,covalent,SING,C7,C1,,,,,10298,bmse000498,1
21,covalent,SING,C7,C2,,,,,10298,bmse000498,1
22,covalent,SING,C7,H27,,,,,10298,bmse000498,1
23,covalent,SING,C3,H18,,,,,10298,bmse000498,1
24,covalent,SING,C3,H20,,,,,10298,bmse000498,1
25,covalent,SING,C3,H19,,,,,10298,bmse000498,1
26,covalent,SING,C1,H14,,,,,10298,bmse000498,1
27,covalent,SING,C1,H13,,,,,10298,bmse000498,1
28,covalent,SING,C1,H12,,,,,10298,bmse000498,1
29,covalent,SING,C2,H15,,,,,10298,bmse000498,1
30,covalent,SING,C2,H16,,,,,10298,bmse000498,1
31,covalent,SING,C2,H17,,,,,10298,bmse000498,1
1,covalent,SING,O10,C9,,,,,10320,bmse000499,1
2,covalent,SING,O10,H29,,,,,10320,bmse000499,1
3,covalent,DOUB,O11,C9,,,,,10320,bmse000499,1
4,covalent,SING,C5,C4,,,,,10320,bmse000499,1
5,covalent,SING,C5,C6,,,,,10320,bmse000499,1
6,covalent,SING,C5,H21,,,,,10320,bmse000499,1
7,covalent,SING,C5,H22,,,,,10320,bmse000499,1
8,covalent,SING,C4,C3,,,,,10320,bmse000499,1
9,covalent,SING,C4,H19,,,,,10320,bmse000499,1
10,covalent,SING,C4,H20,,,,,10320,bmse000499,1
11,covalent,SING,C6,C7,,,,,10320,bmse000499,1
12,covalent,SING,C6,H23,,,,,10320,bmse000499,1
13,covalent,SING,C6,H24,,,,,10320,bmse000499,1
14,covalent,SING,C3,C2,,,,,10320,bmse000499,1
15,covalent,SING,C3,H17,,,,,10320,bmse000499,1
16,covalent,SING,C3,H18,,,,,10320,bmse000499,1
17,covalent,SING,C7,C8,,,,,10320,bmse000499,1
18,covalent,SING,C7,H25,,,,,10320,bmse000499,1
19,covalent,SING,C7,H26,,,,,10320,bmse000499,1
20,covalent,SING,C2,C1,,,,,10320,bmse000499,1
21,covalent,SING,C2,H15,,,,,10320,bmse000499,1
22,covalent,SING,C2,H16,,,,,10320,bmse000499,1
23,covalent,SING,C8,C9,,,,,10320,bmse000499,1
24,covalent,SING,C8,H27,,,,,10320,bmse000499,1
25,covalent,SING,C8,H28,,,,,10320,bmse000499,1
26,covalent,SING,C1,H14,,,,,10320,bmse000499,1
27,covalent,SING,C1,H12,,,,,10320,bmse000499,1
28,covalent,SING,C1,H13,,,,,10320,bmse000499,1
1,covalent,DOUB,O11,C10,,,,,10342,bmse000500,1
2,covalent,SING,C9,C6,,,,,10342,bmse000500,1
3,covalent,SING,C9,C5,,,,,10342,bmse000500,1
4,covalent,SING,C9,C7,,,,,10342,bmse000500,1
5,covalent,SING,C9,H25,,,,,10342,bmse000500,1
6,covalent,SING,C6,C10,,,,,10342,bmse000500,1
7,covalent,SING,C6,H23,,,,,10342,bmse000500,1
8,covalent,SING,C6,H24,,,,,10342,bmse000500,1
9,covalent,SING,C5,C4,,,,,10342,bmse000500,1
10,covalent,SING,C5,H21,,,,,10342,bmse000500,1
11,covalent,SING,C5,H22,,,,,10342,bmse000500,1
12,covalent,SING,C7,C2,,,,,10342,bmse000500,1
13,covalent,DOUB,C7,C1,,,,,10342,bmse000500,1
14,covalent,SING,C10,C8,,,,,10342,bmse000500,1
15,covalent,DOUB,C4,C8,,,,,10342,bmse000500,1
16,covalent,SING,C4,H20,,,,,10342,bmse000500,1
17,covalent,SING,C8,C3,,,,,10342,bmse000500,1
18,covalent,SING,C2,H14,,,,,10342,bmse000500,1
19,covalent,SING,C2,H16,,,,,10342,bmse000500,1
20,covalent,SING,C2,H15,,,,,10342,bmse000500,1
21,covalent,SING,C3,H17,,,,,10342,bmse000500,1
22,covalent,SING,C3,H18,,,,,10342,bmse000500,1
23,covalent,SING,C3,H19,,,,,10342,bmse000500,1
24,covalent,SING,C1,H12,,,,,10342,bmse000500,1
25,covalent,SING,C1,H13,,,,,10342,bmse000500,1
1,covalent,SING,O38,C35,,,,,10365,bmse000501,1
2,covalent,SING,O38,C30,,,,,10365,bmse000501,1
3,covalent,DOUB,O37,C35,,,,,10365,bmse000501,1
4,covalent,SING,C36,C29,,,,,10365,bmse000501,1
5,covalent,SING,C36,C34,,,,,10365,bmse000501,1
6,covalent,SING,C36,C5,,,,,10365,bmse000501,1
7,covalent,SING,C36,C6,,,,,10365,bmse000501,1
8,covalent,SING,C29,C21,,,,,10365,bmse000501,1
9,covalent,SING,C29,H95,,,,,10365,bmse000501,1
10,covalent,SING,C29,H96,,,,,10365,bmse000501,1
11,covalent,SING,C21,C24,,,,,10365,bmse000501,1
12,covalent,SING,C21,H84,,,,,10365,bmse000501,1
13,covalent,SING,C21,H85,,,,,10365,bmse000501,1
14,covalent,DOUB,C34,C33,,,,,10365,bmse000501,1
15,covalent,SING,C34,C27,,,,,10365,bmse000501,1
16,covalent,SING,C24,C33,,,,,10365,bmse000501,1
17,covalent,SING,C24,H88,,,,,10365,bmse000501,1
18,covalent,SING,C24,H89,,,,,10365,bmse000501,1
19,covalent,SING,C33,C4,,,,,10365,bmse000501,1
20,covalent,SING,C5,H51,,,,,10365,bmse000501,1
21,covalent,SING,C5,H53,,,,,10365,bmse000501,1
22,covalent,SING,C5,H52,,,,,10365,bmse000501,1
23,covalent,SING,C6,H56,,,,,10365,bmse000501,1
24,covalent,SING,C6,H54,,,,,10365,bmse000501,1
25,covalent,SING,C6,H55,,,,,10365,bmse000501,1
26,covalent,DOUB,C27,C26,,,,,10365,bmse000501,1
27,covalent,SING,C27,H93,,,,,10365,bmse000501,1
28,covalent,SING,C4,H49,,,,,10365,bmse000501,1
29,covalent,SING,C4,H48,,,,,10365,bmse000501,1
30,covalent,SING,C4,H50,,,,,10365,bmse000501,1
31,covalent,SING,C26,C31,,,,,10365,bmse000501,1
32,covalent,SING,C26,H92,,,,,10365,bmse000501,1
33,covalent,SING,C13,C14,,,,,10365,bmse000501,1
34,covalent,SING,C13,C12,,,,,10365,bmse000501,1
35,covalent,SING,C13,H69,,,,,10365,bmse000501,1
36,covalent,SING,C13,H70,,,,,10365,bmse000501,1
37,covalent,SING,C14,C15,,,,,10365,bmse000501,1
38,covalent,SING,C14,H71,,,,,10365,bmse000501,1
39,covalent,SING,C14,H72,,,,,10365,bmse000501,1
40,covalent,SING,C12,C11,,,,,10365,bmse000501,1
41,covalent,SING,C12,H67,,,,,10365,bmse000501,1
42,covalent,SING,C12,H68,,,,,10365,bmse000501,1
43,covalent,SING,C15,C16,,,,,10365,bmse000501,1
44,covalent,SING,C15,H73,,,,,10365,bmse000501,1
45,covalent,SING,C15,H74,,,,,10365,bmse000501,1
46,covalent,SING,C11,C10,,,,,10365,bmse000501,1
47,covalent,SING,C11,H65,,,,,10365,bmse000501,1
48,covalent,SING,C11,H66,,,,,10365,bmse000501,1
49,covalent,SING,C16,C17,,,,,10365,bmse000501,1
50,covalent,SING,C16,H75,,,,,10365,bmse000501,1
51,covalent,SING,C16,H76,,,,,10365,bmse000501,1
52,covalent,SING,C10,C9,,,,,10365,bmse000501,1
53,covalent,SING,C10,H63,,,,,10365,bmse000501,1
54,covalent,SING,C10,H64,,,,,10365,bmse000501,1
55,covalent,SING,C17,C18,,,,,10365,bmse000501,1
56,covalent,SING,C17,H77,,,,,10365,bmse000501,1
57,covalent,SING,C17,H78,,,,,10365,bmse000501,1
58,covalent,SING,C31,C2,,,,,10365,bmse000501,1
59,covalent,DOUB,C31,C22,,,,,10365,bmse000501,1
60,covalent,SING,C9,C8,,,,,10365,bmse000501,1
61,covalent,SING,C9,H61,,,,,10365,bmse000501,1
62,covalent,SING,C9,H62,,,,,10365,bmse000501,1
63,covalent,SING,C18,C19,,,,,10365,bmse000501,1
64,covalent,SING,C18,H79,,,,,10365,bmse000501,1
65,covalent,SING,C18,H80,,,,,10365,bmse000501,1
66,covalent,SING,C8,C7,,,,,10365,bmse000501,1
67,covalent,SING,C8,H59,,,,,10365,bmse000501,1
68,covalent,SING,C8,H60,,,,,10365,bmse000501,1
69,covalent,SING,C19,C25,,,,,10365,bmse000501,1
70,covalent,SING,C19,H81,,,,,10365,bmse000501,1
71,covalent,SING,C19,H82,,,,,10365,bmse000501,1
72,covalent,SING,C2,H43,,,,,10365,bmse000501,1
73,covalent,SING,C2,H42,,,,,10365,bmse000501,1
74,covalent,SING,C2,H44,,,,,10365,bmse000501,1
75,covalent,SING,C7,C1,,,,,10365,bmse000501,1
76,covalent,SING,C7,H57,,,,,10365,bmse000501,1
77,covalent,SING,C7,H58,,,,,10365,bmse000501,1
78,covalent,SING,C22,C20,,,,,10365,bmse000501,1
79,covalent,SING,C22,H86,,,,,10365,bmse000501,1
80,covalent,SING,C25,C35,,,,,10365,bmse000501,1
81,covalent,SING,C25,H90,,,,,10365,bmse000501,1
82,covalent,SING,C25,H91,,,,,10365,bmse000501,1
83,covalent,SING,C1,H39,,,,,10365,bmse000501,1
84,covalent,SING,C1,H41,,,,,10365,bmse000501,1
85,covalent,SING,C1,H40,,,,,10365,bmse000501,1
86,covalent,DOUB,C20,C23,,,,,10365,bmse000501,1
87,covalent,SING,C20,H83,,,,,10365,bmse000501,1
88,covalent,SING,C23,C32,,,,,10365,bmse000501,1
89,covalent,SING,C23,H87,,,,,10365,bmse000501,1
90,covalent,DOUB,C32,C28,,,,,10365,bmse000501,1
91,covalent,SING,C32,C3,,,,,10365,bmse000501,1
92,covalent,SING,C30,C28,,,,,10365,bmse000501,1
93,covalent,SING,C30,H97,,,,,10365,bmse000501,1
94,covalent,SING,C30,H98,,,,,10365,bmse000501,1
95,covalent,SING,C28,H94,,,,,10365,bmse000501,1
96,covalent,SING,C3,H46,,,,,10365,bmse000501,1
97,covalent,SING,C3,H47,,,,,10365,bmse000501,1
98,covalent,SING,C3,H45,,,,,10365,bmse000501,1
1,covalent,SING,O9,C8,,,,,10388,bmse000502,1
2,covalent,SING,O9,H26,,,,,10388,bmse000502,1
3,covalent,DOUB,O10,C8,,,,,10388,bmse000502,1
4,covalent,SING,C4,C5,,,,,10388,bmse000502,1
5,covalent,SING,C4,C3,,,,,10388,bmse000502,1
6,covalent,SING,C4,H18,,,,,10388,bmse000502,1
7,covalent,SING,C4,H19,,,,,10388,bmse000502,1
8,covalent,SING,C5,C6,,,,,10388,bmse000502,1
9,covalent,SING,C5,H20,,,,,10388,bmse000502,1
10,covalent,SING,C5,H21,,,,,10388,bmse000502,1
11,covalent,SING,C3,C2,,,,,10388,bmse000502,1
12,covalent,SING,C3,H16,,,,,10388,bmse000502,1
13,covalent,SING,C3,H17,,,,,10388,bmse000502,1
14,covalent,SING,C6,C7,,,,,10388,bmse000502,1
15,covalent,SING,C6,H22,,,,,10388,bmse000502,1
16,covalent,SING,C6,H23,,,,,10388,bmse000502,1
17,covalent,SING,C2,C1,,,,,10388,bmse000502,1
18,covalent,SING,C2,H14,,,,,10388,bmse000502,1
19,covalent,SING,C2,H15,,,,,10388,bmse000502,1
20,covalent,SING,C7,C8,,,,,10388,bmse000502,1
21,covalent,SING,C7,H24,,,,,10388,bmse000502,1
22,covalent,SING,C7,H25,,,,,10388,bmse000502,1
23,covalent,SING,C1,H13,,,,,10388,bmse000502,1
24,covalent,SING,C1,H11,,,,,10388,bmse000502,1
25,covalent,SING,C1,H12,,,,,10388,bmse000502,1
1,covalent,SING,C8,C10,,,,,10409,bmse000503,1
2,covalent,SING,C8,C1,,,,,10409,bmse000503,1
3,covalent,SING,C8,C2,,,,,10409,bmse000503,1
4,covalent,SING,C8,H24,,,,,10409,bmse000503,1
5,covalent,DOUB,C10,C6,,,,,10409,bmse000503,1
6,covalent,SING,C10,C7,,,,,10409,bmse000503,1
7,covalent,SING,C1,H12,,,,,10409,bmse000503,1
8,covalent,SING,C1,H13,,,,,10409,bmse000503,1
9,covalent,SING,C1,H11,,,,,10409,bmse000503,1
10,covalent,SING,C2,H16,,,,,10409,bmse000503,1
11,covalent,SING,C2,H15,,,,,10409,bmse000503,1
12,covalent,SING,C2,H14,,,,,10409,bmse000503,1
13,covalent,SING,C6,C4,,,,,10409,bmse000503,1
14,covalent,SING,C6,H22,,,,,10409,bmse000503,1
15,covalent,DOUB,C7,C5,,,,,10409,bmse000503,1
16,covalent,SING,C7,H23,,,,,10409,bmse000503,1
17,covalent,DOUB,C9,C4,,,,,10409,bmse000503,1
18,covalent,SING,C9,C5,,,,,10409,bmse000503,1
19,covalent,SING,C9,C3,,,,,10409,bmse000503,1
20,covalent,SING,C4,H20,,,,,10409,bmse000503,1
21,covalent,SING,C5,H21,,,,,10409,bmse000503,1
22,covalent,SING,C3,H18,,,,,10409,bmse000503,1
23,covalent,SING,C3,H19,,,,,10409,bmse000503,1
24,covalent,SING,C3,H17,,,,,10409,bmse000503,1
1,covalent,SING,C7,C10,,,,,10431,bmse000504,1
2,covalent,SING,C7,C5,,,,,10431,bmse000504,1
3,covalent,SING,C7,H25,,,,,10431,bmse000504,1
4,covalent,SING,C7,H26,,,,,10431,bmse000504,1
5,covalent,SING,C10,C6,,,,,10431,bmse000504,1
6,covalent,DOUB,C10,C8,,,,,10431,bmse000504,1
7,covalent,SING,C5,C9,,,,,10431,bmse000504,1
8,covalent,SING,C5,H21,,,,,10431,bmse000504,1
9,covalent,SING,C5,H22,,,,,10431,bmse000504,1
10,covalent,SING,C6,C4,,,,,10431,bmse000504,1
11,covalent,SING,C6,H23,,,,,10431,bmse000504,1
12,covalent,SING,C6,H24,,,,,10431,bmse000504,1
13,covalent,DOUB,C9,C4,,,,,10431,bmse000504,1
14,covalent,SING,C9,C3,,,,,10431,bmse000504,1
15,covalent,SING,C4,H20,,,,,10431,bmse000504,1
16,covalent,SING,C8,C1,,,,,10431,bmse000504,1
17,covalent,SING,C8,C2,,,,,10431,bmse000504,1
18,covalent,SING,C3,H17,,,,,10431,bmse000504,1
19,covalent,SING,C3,H18,,,,,10431,bmse000504,1
20,covalent,SING,C3,H19,,,,,10431,bmse000504,1
21,covalent,SING,C1,H11,,,,,10431,bmse000504,1
22,covalent,SING,C1,H12,,,,,10431,bmse000504,1
23,covalent,SING,C1,H13,,,,,10431,bmse000504,1
24,covalent,SING,C2,H14,,,,,10431,bmse000504,1
25,covalent,SING,C2,H15,,,,,10431,bmse000504,1
26,covalent,SING,C2,H16,,,,,10431,bmse000504,1
1,covalent,SING,O11,C7,,,,,10451,bmse000505,1
2,covalent,SING,O11,H25,,,,,10451,bmse000505,1
3,covalent,SING,C8,C10,,,,,10451,bmse000505,1
4,covalent,SING,C8,C1,,,,,10451,bmse000505,1
5,covalent,SING,C8,C2,,,,,10451,bmse000505,1
6,covalent,SING,C8,H24,,,,,10451,bmse000505,1
7,covalent,DOUB,C10,C5,,,,,10451,bmse000505,1
8,covalent,SING,C10,C6,,,,,10451,bmse000505,1
9,covalent,SING,C1,H12,,,,,10451,bmse000505,1
10,covalent,SING,C1,H14,,,,,10451,bmse000505,1
11,covalent,SING,C1,H13,,,,,10451,bmse000505,1
12,covalent,SING,C2,H17,,,,,10451,bmse000505,1
13,covalent,SING,C2,H15,,,,,10451,bmse000505,1
14,covalent,SING,C2,H16,,,,,10451,bmse000505,1
15,covalent,SING,C5,C3,,,,,10451,bmse000505,1
16,covalent,SING,C5,H20,,,,,10451,bmse000505,1
17,covalent,DOUB,C6,C4,,,,,10451,bmse000505,1
18,covalent,SING,C6,H21,,,,,10451,bmse000505,1
19,covalent,DOUB,C9,C3,,,,,10451,bmse000505,1
20,covalent,SING,C9,C4,,,,,10451,bmse000505,1
21,covalent,SING,C9,C7,,,,,10451,bmse000505,1
22,covalent,SING,C3,H18,,,,,10451,bmse000505,1
23,covalent,SING,C4,H19,,,,,10451,bmse000505,1
24,covalent,SING,C7,H22,,,,,10451,bmse000505,1
25,covalent,SING,C7,H23,,,,,10451,bmse000505,1
1,covalent,SING,C11,C12,,,,,10466,bmse000506,1
2,covalent,DOUB,C11,C7,,,,,10466,bmse000506,1
3,covalent,SING,C11,C8,,,,,10466,bmse000506,1
4,covalent,DOUB,C12,C9,,,,,10466,bmse000506,1
5,covalent,SING,C12,C10,,,,,10466,bmse000506,1
6,covalent,SING,C7,C3,,,,,10466,bmse000506,1
7,covalent,SING,C7,H19,,,,,10466,bmse000506,1
8,covalent,SING,C9,C5,,,,,10466,bmse000506,1
9,covalent,SING,C9,H21,,,,,10466,bmse000506,1
10,covalent,DOUB,C8,C4,,,,,10466,bmse000506,1
11,covalent,SING,C8,H20,,,,,10466,bmse000506,1
12,covalent,DOUB,C10,C6,,,,,10466,bmse000506,1
13,covalent,SING,C10,H22,,,,,10466,bmse000506,1
14,covalent,DOUB,C3,C1,,,,,10466,bmse000506,1
15,covalent,SING,C3,H15,,,,,10466,bmse000506,1
16,covalent,DOUB,C5,C2,,,,,10466,bmse000506,1
17,covalent,SING,C5,H17,,,,,10466,bmse000506,1
18,covalent,SING,C4,C1,,,,,10466,bmse000506,1
19,covalent,SING,C4,H16,,,,,10466,bmse000506,1
20,covalent,SING,C6,C2,,,,,10466,bmse000506,1
21,covalent,SING,C6,H18,,,,,10466,bmse000506,1
22,covalent,SING,C1,H13,,,,,10466,bmse000506,1
23,covalent,SING,C2,H14,,,,,10466,bmse000506,1
1,covalent,SING,C24,O28,,,,,10488,bmse000507,1
2,covalent,SING,O28,H72,,,,,10488,bmse000507,1
3,covalent,SING,C27,C25,,,,,10488,bmse000507,1
4,covalent,SING,C27,C26,,,,,10488,bmse000507,1
5,covalent,SING,C27,C17,,,,,10488,bmse000507,1
6,covalent,SING,C27,C5,,,,,10488,bmse000507,1
7,covalent,SING,C25,C15,,,,,10488,bmse000507,1
8,covalent,SING,C25,C21,,,,,10488,bmse000507,1
9,covalent,SING,C25,H70,,,,,10488,bmse000507,1
10,covalent,SING,C26,C16,,,,,10488,bmse000507,1
11,covalent,SING,C26,C22,,,,,10488,bmse000507,1
12,covalent,SING,C26,H71,,,,,10488,bmse000507,1
13,covalent,SING,C15,C16,,,,,10488,bmse000507,1
14,covalent,SING,C15,H59,,,,,10488,bmse000507,1
15,covalent,SING,C15,H60,,,,,10488,bmse000507,1
16,covalent,SING,C16,H61,,,,,10488,bmse000507,1
17,covalent,SING,C16,H62,,,,,10488,bmse000507,1
18,covalent,SING,C17,C7,,,,,10488,bmse000507,1
19,covalent,SING,C17,H63,,,,,10488,bmse000507,1
20,covalent,SING,C17,H64,,,,,10488,bmse000507,1
21,covalent,SING,C21,C9,,,,,10488,bmse000507,1
22,covalent,SING,C21,C4,,,,,10488,bmse000507,1
23,covalent,SING,C21,H68,,,,,10488,bmse000507,1
24,covalent,SING,C22,C10,,,,,10488,bmse000507,1
25,covalent,DOUB,C22,C12,,,,,10488,bmse000507,1
26,covalent,SING,C5,H41,,,,,10488,bmse000507,1
27,covalent,SING,C5,H42,,,,,10488,bmse000507,1
28,covalent,SING,C5,H40,,,,,10488,bmse000507,1
29,covalent,SING,C7,C10,,,,,10488,bmse000507,1
30,covalent,SING,C7,H45,,,,,10488,bmse000507,1
31,covalent,SING,C7,H46,,,,,10488,bmse000507,1
32,covalent,SING,C10,H51,,,,,10488,bmse000507,1
33,covalent,SING,C10,H52,,,,,10488,bmse000507,1
34,covalent,SING,C9,C6,,,,,10488,bmse000507,1
35,covalent,SING,C9,H49,,,,,10488,bmse000507,1
36,covalent,SING,C9,H50,,,,,10488,bmse000507,1
37,covalent,SING,C4,H38,,,,,10488,bmse000507,1
38,covalent,SING,C4,H39,,,,,10488,bmse000507,1
39,covalent,SING,C4,H37,,,,,10488,bmse000507,1
40,covalent,SING,C12,C13,,,,,10488,bmse000507,1
41,covalent,SING,C12,H55,,,,,10488,bmse000507,1
42,covalent,SING,C6,C8,,,,,10488,bmse000507,1
43,covalent,SING,C6,H43,,,,,10488,bmse000507,1
44,covalent,SING,C6,H44,,,,,10488,bmse000507,1
45,covalent,SING,C8,C19,,,,,10488,bmse000507,1
46,covalent,SING,C8,H47,,,,,10488,bmse000507,1
47,covalent,SING,C8,H48,,,,,10488,bmse000507,1
48,covalent,DOUB,C13,C23,,,,,10488,bmse000507,1
49,covalent,SING,C13,H56,,,,,10488,bmse000507,1
50,covalent,SING,C19,C1,,,,,10488,bmse000507,1
51,covalent,SING,C19,C2,,,,,10488,bmse000507,1
52,covalent,SING,C19,H67,,,,,10488,bmse000507,1
53,covalent,SING,C23,C18,,,,,10488,bmse000507,1
54,covalent,SING,C23,C20,,,,,10488,bmse000507,1
55,covalent,SING,C18,C24,,,,,10488,bmse000507,1
56,covalent,SING,C18,H65,,,,,10488,bmse000507,1
57,covalent,SING,C18,H66,,,,,10488,bmse000507,1
58,covalent,SING,C1,H31,,,,,10488,bmse000507,1
59,covalent,SING,C1,H29,,,,,10488,bmse000507,1
60,covalent,SING,C1,H30,,,,,10488,bmse000507,1
61,covalent,SING,C2,H33,,,,,10488,bmse000507,1
62,covalent,SING,C2,H34,,,,,10488,bmse000507,1
63,covalent,SING,C2,H32,,,,,10488,bmse000507,1
64,covalent,SING,C20,C11,,,,,10488,bmse000507,1
65,covalent,DOUB,C20,C3,,,,,10488,bmse000507,1
66,covalent,SING,C24,C14,,,,,10488,bmse000507,1
67,covalent,SING,C24,H69,,,,,10488,bmse000507,1
68,covalent,SING,C11,C14,,,,,10488,bmse000507,1
69,covalent,SING,C11,H53,,,,,10488,bmse000507,1
70,covalent,SING,C11,H54,,,,,10488,bmse000507,1
71,covalent,SING,C14,H57,,,,,10488,bmse000507,1
72,covalent,SING,C14,H58,,,,,10488,bmse000507,1
73,covalent,SING,C3,H35,,,,,10488,bmse000507,1
74,covalent,SING,C3,H36,,,,,10488,bmse000507,1
1,covalent,DOUB,O11,C7,,,,,10511,bmse000508,1
2,covalent,SING,C8,C10,,,,,10511,bmse000508,1
3,covalent,SING,C8,C1,,,,,10511,bmse000508,1
4,covalent,SING,C8,C2,,,,,10511,bmse000508,1
5,covalent,SING,C8,H23,,,,,10511,bmse000508,1
6,covalent,DOUB,C10,C5,,,,,10511,bmse000508,1
7,covalent,SING,C10,C6,,,,,10511,bmse000508,1
8,covalent,SING,C1,H13,,,,,10511,bmse000508,1
9,covalent,SING,C1,H14,,,,,10511,bmse000508,1
10,covalent,SING,C1,H12,,,,,10511,bmse000508,1
11,covalent,SING,C2,H17,,,,,10511,bmse000508,1
12,covalent,SING,C2,H16,,,,,10511,bmse000508,1
13,covalent,SING,C2,H15,,,,,10511,bmse000508,1
14,covalent,SING,C5,C3,,,,,10511,bmse000508,1
15,covalent,SING,C5,H20,,,,,10511,bmse000508,1
16,covalent,DOUB,C6,C4,,,,,10511,bmse000508,1
17,covalent,SING,C6,H21,,,,,10511,bmse000508,1
18,covalent,DOUB,C3,C9,,,,,10511,bmse000508,1
19,covalent,SING,C3,H18,,,,,10511,bmse000508,1
20,covalent,SING,C4,C9,,,,,10511,bmse000508,1
21,covalent,SING,C4,H19,,,,,10511,bmse000508,1
22,covalent,SING,C9,C7,,,,,10511,bmse000508,1
23,covalent,SING,C7,H22,,,,,10511,bmse000508,1
1,covalent,SING,O13,C12,,,,,10533,bmse000509,1
2,covalent,SING,O13,H38,,,,,10533,bmse000509,1
3,covalent,DOUB,O14,C12,,,,,10533,bmse000509,1
4,covalent,SING,C6,C7,,,,,10533,bmse000509,1
5,covalent,SING,C6,C5,,,,,10533,bmse000509,1
6,covalent,SING,C6,H26,,,,,10533,bmse000509,1
7,covalent,SING,C6,H27,,,,,10533,bmse000509,1
8,covalent,SING,C7,C8,,,,,10533,bmse000509,1
9,covalent,SING,C7,H28,,,,,10533,bmse000509,1
10,covalent,SING,C7,H29,,,,,10533,bmse000509,1
11,covalent,SING,C5,C4,,,,,10533,bmse000509,1
12,covalent,SING,C5,H24,,,,,10533,bmse000509,1
13,covalent,SING,C5,H25,,,,,10533,bmse000509,1
14,covalent,SING,C8,C9,,,,,10533,bmse000509,1
15,covalent,SING,C8,H30,,,,,10533,bmse000509,1
16,covalent,SING,C8,H31,,,,,10533,bmse000509,1
17,covalent,SING,C4,C3,,,,,10533,bmse000509,1
18,covalent,SING,C4,H22,,,,,10533,bmse000509,1
19,covalent,SING,C4,H23,,,,,10533,bmse000509,1
20,covalent,SING,C9,C10,,,,,10533,bmse000509,1
21,covalent,SING,C9,H32,,,,,10533,bmse000509,1
22,covalent,SING,C9,H33,,,,,10533,bmse000509,1
23,covalent,SING,C3,C2,,,,,10533,bmse000509,1
24,covalent,SING,C3,H20,,,,,10533,bmse000509,1
25,covalent,SING,C3,H21,,,,,10533,bmse000509,1
26,covalent,SING,C10,C11,,,,,10533,bmse000509,1
27,covalent,SING,C10,H34,,,,,10533,bmse000509,1
28,covalent,SING,C10,H35,,,,,10533,bmse000509,1
29,covalent,SING,C2,C1,,,,,10533,bmse000509,1
30,covalent,SING,C2,H18,,,,,10533,bmse000509,1
31,covalent,SING,C2,H19,,,,,10533,bmse000509,1
32,covalent,SING,C11,C12,,,,,10533,bmse000509,1
33,covalent,SING,C11,H36,,,,,10533,bmse000509,1
34,covalent,SING,C11,H37,,,,,10533,bmse000509,1
35,covalent,SING,C1,H17,,,,,10533,bmse000509,1
36,covalent,SING,C1,H15,,,,,10533,bmse000509,1
37,covalent,SING,C1,H16,,,,,10533,bmse000509,1
1,covalent,SING,C25,O29,,,,,10554,bmse000510,1
2,covalent,SING,O29,H73,,,,,10554,bmse000510,1
3,covalent,SING,C28,C26,,,,,10554,bmse000510,1
4,covalent,SING,C28,C27,,,,,10554,bmse000510,1
5,covalent,SING,C28,C17,,,,,10554,bmse000510,1
6,covalent,SING,C28,C6,,,,,10554,bmse000510,1
7,covalent,SING,C26,C15,,,,,10554,bmse000510,1
8,covalent,SING,C26,C22,,,,,10554,bmse000510,1
9,covalent,SING,C26,H71,,,,,10554,bmse000510,1
10,covalent,SING,C27,C16,,,,,10554,bmse000510,1
11,covalent,SING,C27,C23,,,,,10554,bmse000510,1
12,covalent,SING,C27,H72,,,,,10554,bmse000510,1
13,covalent,SING,C15,C16,,,,,10554,bmse000510,1
14,covalent,SING,C15,H59,,,,,10554,bmse000510,1
15,covalent,SING,C15,H60,,,,,10554,bmse000510,1
16,covalent,SING,C16,H61,,,,,10554,bmse000510,1
17,covalent,SING,C16,H62,,,,,10554,bmse000510,1
18,covalent,SING,C17,C7,,,,,10554,bmse000510,1
19,covalent,SING,C17,H63,,,,,10554,bmse000510,1
20,covalent,SING,C17,H64,,,,,10554,bmse000510,1
21,covalent,SING,C22,C5,,,,,10554,bmse000510,1
22,covalent,SING,C22,C10,,,,,10554,bmse000510,1
23,covalent,SING,C22,H69,,,,,10554,bmse000510,1
24,covalent,SING,C23,C8,,,,,10554,bmse000510,1
25,covalent,DOUB,C23,C12,,,,,10554,bmse000510,1
26,covalent,SING,C6,H45,,,,,10554,bmse000510,1
27,covalent,SING,C6,H44,,,,,10554,bmse000510,1
28,covalent,SING,C6,H46,,,,,10554,bmse000510,1
29,covalent,SING,C7,C8,,,,,10554,bmse000510,1
30,covalent,SING,C7,H47,,,,,10554,bmse000510,1
31,covalent,SING,C7,H48,,,,,10554,bmse000510,1
32,covalent,SING,C8,H49,,,,,10554,bmse000510,1
33,covalent,SING,C8,H50,,,,,10554,bmse000510,1
34,covalent,SING,C5,H43,,,,,10554,bmse000510,1
35,covalent,SING,C5,H41,,,,,10554,bmse000510,1
36,covalent,SING,C5,H42,,,,,10554,bmse000510,1
37,covalent,DOUB,C10,C9,,,,,10554,bmse000510,1
38,covalent,SING,C10,H52,,,,,10554,bmse000510,1
39,covalent,SING,C12,C13,,,,,10554,bmse000510,1
40,covalent,SING,C12,H55,,,,,10554,bmse000510,1
41,covalent,SING,C9,C20,,,,,10554,bmse000510,1
42,covalent,SING,C9,H51,,,,,10554,bmse000510,1
43,covalent,DOUB,C13,C24,,,,,10554,bmse000510,1
44,covalent,SING,C13,H56,,,,,10554,bmse000510,1
45,covalent,SING,C20,C19,,,,,10554,bmse000510,1
46,covalent,SING,C20,C3,,,,,10554,bmse000510,1
47,covalent,SING,C20,H68,,,,,10554,bmse000510,1
48,covalent,SING,C24,C18,,,,,10554,bmse000510,1
49,covalent,SING,C24,C21,,,,,10554,bmse000510,1
50,covalent,SING,C19,C1,,,,,10554,bmse000510,1
51,covalent,SING,C19,C2,,,,,10554,bmse000510,1
52,covalent,SING,C19,H67,,,,,10554,bmse000510,1
53,covalent,SING,C18,C25,,,,,10554,bmse000510,1
54,covalent,SING,C18,H65,,,,,10554,bmse000510,1
55,covalent,SING,C18,H66,,,,,10554,bmse000510,1
56,covalent,SING,C3,H36,,,,,10554,bmse000510,1
57,covalent,SING,C3,H38,,,,,10554,bmse000510,1
58,covalent,SING,C3,H37,,,,,10554,bmse000510,1
59,covalent,SING,C21,C11,,,,,10554,bmse000510,1
60,covalent,DOUB,C21,C4,,,,,10554,bmse000510,1
61,covalent,SING,C25,C14,,,,,10554,bmse000510,1
62,covalent,SING,C25,H70,,,,,10554,bmse000510,1
63,covalent,SING,C11,C14,,,,,10554,bmse000510,1
64,covalent,SING,C11,H53,,,,,10554,bmse000510,1
65,covalent,SING,C11,H54,,,,,10554,bmse000510,1
66,covalent,SING,C14,H57,,,,,10554,bmse000510,1
67,covalent,SING,C14,H58,,,,,10554,bmse000510,1
68,covalent,SING,C1,H32,,,,,10554,bmse000510,1
69,covalent,SING,C1,H31,,,,,10554,bmse000510,1
70,covalent,SING,C1,H30,,,,,10554,bmse000510,1
71,covalent,SING,C2,H34,,,,,10554,bmse000510,1
72,covalent,SING,C2,H33,,,,,10554,bmse000510,1
73,covalent,SING,C2,H35,,,,,10554,bmse000510,1
74,covalent,SING,C4,H39,,,,,10554,bmse000510,1
75,covalent,SING,C4,H40,,,,,10554,bmse000510,1
1,covalent,SING,C20,O23,,,,,10577,bmse000511,1
2,covalent,SING,O23,H48,,,,,10577,bmse000511,1
3,covalent,SING,O24,C15,,,,,10577,bmse000511,1
4,covalent,SING,O24,C2,,,,,10577,bmse000511,1
5,covalent,SING,N22,C19,,,,,10577,bmse000511,1
6,covalent,SING,N22,C12,,,,,10577,bmse000511,1
7,covalent,SING,N22,C9,,,,,10577,bmse000511,1
8,covalent,DOUB,N21,C18,,,,,10577,bmse000511,1
9,covalent,SING,N21,C8,,,,,10577,bmse000511,1
10,covalent,SING,C14,C10,,,,,10577,bmse000511,1
11,covalent,SING,C14,C13,,,,,10577,bmse000511,1
12,covalent,SING,C14,C7,,,,,10577,bmse000511,1
13,covalent,SING,C14,H45,,,,,10577,bmse000511,1
14,covalent,SING,C19,C10,,,,,10577,bmse000511,1
15,covalent,SING,C19,C20,,,,,10577,bmse000511,1
16,covalent,SING,C19,H46,,,,,10577,bmse000511,1
17,covalent,SING,C10,H39,,,,,10577,bmse000511,1
18,covalent,SING,C10,H40,,,,,10577,bmse000511,1
19,covalent,SING,C13,C12,,,,,10577,bmse000511,1
20,covalent,SING,C13,C3,,,,,10577,bmse000511,1
21,covalent,SING,C13,H44,,,,,10577,bmse000511,1
22,covalent,SING,C7,C9,,,,,10577,bmse000511,1
23,covalent,SING,C7,H34,,,,,10577,bmse000511,1
24,covalent,SING,C7,H35,,,,,10577,bmse000511,1
25,covalent,SING,C12,H42,,,,,10577,bmse000511,1
26,covalent,SING,C12,H43,,,,,10577,bmse000511,1
27,covalent,SING,C9,H37,,,,,10577,bmse000511,1
28,covalent,SING,C9,H38,,,,,10577,bmse000511,1
29,covalent,SING,C20,C16,,,,,10577,bmse000511,1
30,covalent,SING,C20,H47,,,,,10577,bmse000511,1
31,covalent,DOUB,C3,C1,,,,,10577,bmse000511,1
32,covalent,SING,C3,H30,,,,,10577,bmse000511,1
33,covalent,DOUB,C16,C17,,,,,10577,bmse000511,1
34,covalent,SING,C16,C6,,,,,10577,bmse000511,1
35,covalent,SING,C1,H25,,,,,10577,bmse000511,1
36,covalent,SING,C1,H26,,,,,10577,bmse000511,1
37,covalent,SING,C17,C18,,,,,10577,bmse000511,1
38,covalent,SING,C17,C11,,,,,10577,bmse000511,1
39,covalent,DOUB,C6,C8,,,,,10577,bmse000511,1
40,covalent,SING,C6,H33,,,,,10577,bmse000511,1
41,covalent,SING,C18,C5,,,,,10577,bmse000511,1
42,covalent,DOUB,C11,C15,,,,,10577,bmse000511,1
43,covalent,SING,C11,H41,,,,,10577,bmse000511,1
44,covalent,SING,C8,H36,,,,,10577,bmse000511,1
45,covalent,DOUB,C5,C4,,,,,10577,bmse000511,1
46,covalent,SING,C5,H32,,,,,10577,bmse000511,1
47,covalent,SING,C15,C4,,,,,10577,bmse000511,1
48,covalent,SING,C4,H31,,,,,10577,bmse000511,1
49,covalent,SING,C2,H28,,,,,10577,bmse000511,1
50,covalent,SING,C2,H27,,,,,10577,bmse000511,1
51,covalent,SING,C2,H29,,,,,10577,bmse000511,1
1,covalent,SING,O25,C21,,,,,10600,bmse000512,1
2,covalent,SING,O25,H55,,,,,10600,bmse000512,1
3,covalent,DOUB,O24,C18,,,,,10600,bmse000512,1
4,covalent,SING,O22,C12,,,,,10600,bmse000512,1
5,covalent,SING,O22,H54,,,,,10600,bmse000512,1
6,covalent,DOUB,O23,C14,,,,,10600,bmse000512,1
7,covalent,SING,C20,C17,,,,,10600,bmse000512,1
8,covalent,SING,C20,C21,,,,,10600,bmse000512,1
9,covalent,SING,C20,C9,,,,,10600,bmse000512,1
10,covalent,SING,C20,C2,,,,,10600,bmse000512,1
11,covalent,SING,C17,C15,,,,,10600,bmse000512,1
12,covalent,SING,C17,C7,,,,,10600,bmse000512,1
13,covalent,SING,C17,H53,,,,,10600,bmse000512,1
14,covalent,SING,C15,C16,,,,,10600,bmse000512,1
15,covalent,SING,C15,C4,,,,,10600,bmse000512,1
16,covalent,SING,C15,H51,,,,,10600,bmse000512,1
17,covalent,SING,C16,C19,,,,,10600,bmse000512,1
18,covalent,SING,C16,C6,,,,,10600,bmse000512,1
19,covalent,SING,C16,H52,,,,,10600,bmse000512,1
20,covalent,SING,C21,C10,,,,,10600,bmse000512,1
21,covalent,SING,C21,C18,,,,,10600,bmse000512,1
22,covalent,SING,C19,C13,,,,,10600,bmse000512,1
23,covalent,SING,C19,C8,,,,,10600,bmse000512,1
24,covalent,SING,C19,C1,,,,,10600,bmse000512,1
25,covalent,SING,C9,C6,,,,,10600,bmse000512,1
26,covalent,SING,C9,H44,,,,,10600,bmse000512,1
27,covalent,SING,C9,H45,,,,,10600,bmse000512,1
28,covalent,SING,C6,H38,,,,,10600,bmse000512,1
29,covalent,SING,C6,H39,,,,,10600,bmse000512,1
30,covalent,SING,C7,C10,,,,,10600,bmse000512,1
31,covalent,SING,C7,H40,,,,,10600,bmse000512,1
32,covalent,SING,C7,H41,,,,,10600,bmse000512,1
33,covalent,SING,C10,H46,,,,,10600,bmse000512,1
34,covalent,SING,C10,H47,,,,,10600,bmse000512,1
35,covalent,SING,C4,C3,,,,,10600,bmse000512,1
36,covalent,SING,C4,H34,,,,,10600,bmse000512,1
37,covalent,SING,C4,H35,,,,,10600,bmse000512,1
38,covalent,SING,C2,H31,,,,,10600,bmse000512,1
39,covalent,SING,C2,H29,,,,,10600,bmse000512,1
40,covalent,SING,C2,H30,,,,,10600,bmse000512,1
41,covalent,SING,C13,C3,,,,,10600,bmse000512,1
42,covalent,DOUB,C13,C11,,,,,10600,bmse000512,1
43,covalent,SING,C3,H32,,,,,10600,bmse000512,1
44,covalent,SING,C3,H33,,,,,10600,bmse000512,1
45,covalent,SING,C8,C5,,,,,10600,bmse000512,1
46,covalent,SING,C8,H42,,,,,10600,bmse000512,1
47,covalent,SING,C8,H43,,,,,10600,bmse000512,1
48,covalent,SING,C1,H28,,,,,10600,bmse000512,1
49,covalent,SING,C1,H26,,,,,10600,bmse000512,1
50,covalent,SING,C1,H27,,,,,10600,bmse000512,1
51,covalent,SING,C18,C12,,,,,10600,bmse000512,1
52,covalent,SING,C5,C14,,,,,10600,bmse000512,1
53,covalent,SING,C5,H36,,,,,10600,bmse000512,1
54,covalent,SING,C5,H37,,,,,10600,bmse000512,1
55,covalent,SING,C11,C14,,,,,10600,bmse000512,1
56,covalent,SING,C11,H48,,,,,10600,bmse000512,1
57,covalent,SING,C12,H49,,,,,10600,bmse000512,1
58,covalent,SING,C12,H50,,,,,10600,bmse000512,1
1,covalent,DOUB,O7,C5,,,,,10623,bmse000513,1
2,covalent,DOUB,O8,C6,,,,,10623,bmse000513,1
3,covalent,SING,C1,C2,,,,,10623,bmse000513,1
4,covalent,SING,C1,C5,,,,,10623,bmse000513,1
5,covalent,SING,C1,H9,,,,,10623,bmse000513,1
6,covalent,SING,C1,H10,,,,,10623,bmse000513,1
7,covalent,SING,C3,C4,,,,,10623,bmse000513,1
8,covalent,SING,C3,C5,,,,,10623,bmse000513,1
9,covalent,SING,C3,H13,,,,,10623,bmse000513,1
10,covalent,SING,C3,H14,,,,,10623,bmse000513,1
11,covalent,SING,C2,C6,,,,,10623,bmse000513,1
12,covalent,SING,C2,H11,,,,,10623,bmse000513,1
13,covalent,SING,C2,H12,,,,,10623,bmse000513,1
14,covalent,SING,C4,C6,,,,,10623,bmse000513,1
15,covalent,SING,C4,H15,,,,,10623,bmse000513,1
16,covalent,SING,C4,H16,,,,,10623,bmse000513,1
1,covalent,DOUB,O10,C9,,,,,10644,bmse000514,1
2,covalent,SING,C7,C8,,,,,10644,bmse000514,1
3,covalent,SING,C7,C5,,,,,10644,bmse000514,1
4,covalent,DOUB,C7,C3,,,,,10644,bmse000514,1
5,covalent,SING,C8,C6,,,,,10644,bmse000514,1
6,covalent,DOUB,C8,C4,,,,,10644,bmse000514,1
7,covalent,SING,C5,C9,,,,,10644,bmse000514,1
8,covalent,SING,C5,H15,,,,,10644,bmse000514,1
9,covalent,SING,C5,H16,,,,,10644,bmse000514,1
10,covalent,SING,C6,C9,,,,,10644,bmse000514,1
11,covalent,SING,C6,H17,,,,,10644,bmse000514,1
12,covalent,SING,C6,H18,,,,,10644,bmse000514,1
13,covalent,SING,C3,C1,,,,,10644,bmse000514,1
14,covalent,SING,C3,H13,,,,,10644,bmse000514,1
15,covalent,SING,C4,C2,,,,,10644,bmse000514,1
16,covalent,SING,C4,H14,,,,,10644,bmse000514,1
17,covalent,DOUB,C1,C2,,,,,10644,bmse000514,1
18,covalent,SING,C1,H11,,,,,10644,bmse000514,1
19,covalent,SING,C2,H12,,,,,10644,bmse000514,1
1,covalent,SING,O9,C6,,,,,10666,bmse000515,1
2,covalent,SING,O9,H19,,,,,10666,bmse000515,1
3,covalent,SING,C8,C7,,,,,10666,bmse000515,1
4,covalent,SING,C8,C6,,,,,10666,bmse000515,1
5,covalent,DOUB,C8,C5,,,,,10666,bmse000515,1
6,covalent,DOUB,C7,C4,,,,,10666,bmse000515,1
7,covalent,SING,C7,C1,,,,,10666,bmse000515,1
8,covalent,SING,C6,H17,,,,,10666,bmse000515,1
9,covalent,SING,C6,H18,,,,,10666,bmse000515,1
10,covalent,SING,C5,C3,,,,,10666,bmse000515,1
11,covalent,SING,C5,H16,,,,,10666,bmse000515,1
12,covalent,SING,C4,C2,,,,,10666,bmse000515,1
13,covalent,SING,C4,H15,,,,,10666,bmse000515,1
14,covalent,SING,C1,H12,,,,,10666,bmse000515,1
15,covalent,SING,C1,H11,,,,,10666,bmse000515,1
16,covalent,SING,C1,H10,,,,,10666,bmse000515,1
17,covalent,DOUB,C3,C2,,,,,10666,bmse000515,1
18,covalent,SING,C3,H14,,,,,10666,bmse000515,1
19,covalent,SING,C2,H13,,,,,10666,bmse000515,1
1,covalent,SING,N10,C9,,,,,10688,bmse000516,1
2,covalent,SING,N10,C6,,,,,10688,bmse000516,1
3,covalent,SING,N10,H19,,,,,10688,bmse000516,1
4,covalent,SING,C8,C9,,,,,10688,bmse000516,1
5,covalent,SING,C8,C7,,,,,10688,bmse000516,1
6,covalent,DOUB,C8,C4,,,,,10688,bmse000516,1
7,covalent,DOUB,C9,C5,,,,,10688,bmse000516,1
8,covalent,DOUB,C7,C6,,,,,10688,bmse000516,1
9,covalent,SING,C7,C1,,,,,10688,bmse000516,1
10,covalent,SING,C6,H18,,,,,10688,bmse000516,1
11,covalent,SING,C4,C2,,,,,10688,bmse000516,1
12,covalent,SING,C4,H16,,,,,10688,bmse000516,1
13,covalent,SING,C5,C3,,,,,10688,bmse000516,1
14,covalent,SING,C5,H17,,,,,10688,bmse000516,1
15,covalent,SING,C1,H11,,,,,10688,bmse000516,1
16,covalent,SING,C1,H12,,,,,10688,bmse000516,1
17,covalent,SING,C1,H13,,,,,10688,bmse000516,1
18,covalent,DOUB,C2,C3,,,,,10688,bmse000516,1
19,covalent,SING,C2,H14,,,,,10688,bmse000516,1
20,covalent,SING,C3,H15,,,,,10688,bmse000516,1
1,covalent,SING,Cl14,C11,,,,,10710,bmse000517,1
2,covalent,SING,Cl15,C12,,,,,10710,bmse000517,1
3,covalent,DOUB,O16,C13,,,,,10710,bmse000517,1
4,covalent,SING,C9,C13,,,,,10710,bmse000517,1
5,covalent,DOUB,C9,C1,,,,,10710,bmse000517,1
6,covalent,SING,C9,C2,,,,,10710,bmse000517,1
7,covalent,SING,C10,C13,,,,,10710,bmse000517,1
8,covalent,DOUB,C10,C3,,,,,10710,bmse000517,1
9,covalent,SING,C10,C4,,,,,10710,bmse000517,1
10,covalent,SING,C1,C5,,,,,10710,bmse000517,1
11,covalent,SING,C1,H17,,,,,10710,bmse000517,1
12,covalent,SING,C3,C7,,,,,10710,bmse000517,1
13,covalent,SING,C3,H19,,,,,10710,bmse000517,1
14,covalent,DOUB,C2,C6,,,,,10710,bmse000517,1
15,covalent,SING,C2,H18,,,,,10710,bmse000517,1
16,covalent,DOUB,C4,C8,,,,,10710,bmse000517,1
17,covalent,SING,C4,H20,,,,,10710,bmse000517,1
18,covalent,DOUB,C5,C11,,,,,10710,bmse000517,1
19,covalent,SING,C5,H21,,,,,10710,bmse000517,1
20,covalent,DOUB,C7,C12,,,,,10710,bmse000517,1
21,covalent,SING,C7,H23,,,,,10710,bmse000517,1
22,covalent,SING,C6,C11,,,,,10710,bmse000517,1
23,covalent,SING,C6,H22,,,,,10710,bmse000517,1
24,covalent,SING,C8,C12,,,,,10710,bmse000517,1
25,covalent,SING,C8,H24,,,,,10710,bmse000517,1
1,covalent,SING,Cl9,C8,,,,,10733,bmse000518,1
2,covalent,DOUB,O10,C6,,,,,10733,bmse000518,1
3,covalent,DOUB,C7,C2,,,,,10733,bmse000518,1
4,covalent,SING,C7,C3,,,,,10733,bmse000518,1
5,covalent,SING,C7,C6,,,,,10733,bmse000518,1
6,covalent,SING,C2,C4,,,,,10733,bmse000518,1
7,covalent,SING,C2,H14,,,,,10733,bmse000518,1
8,covalent,DOUB,C3,C5,,,,,10733,bmse000518,1
9,covalent,SING,C3,H15,,,,,10733,bmse000518,1
10,covalent,SING,C6,C1,,,,,10733,bmse000518,1
11,covalent,DOUB,C4,C8,,,,,10733,bmse000518,1
12,covalent,SING,C4,H16,,,,,10733,bmse000518,1
13,covalent,SING,C5,C8,,,,,10733,bmse000518,1
14,covalent,SING,C5,H17,,,,,10733,bmse000518,1
15,covalent,SING,C1,H12,,,,,10733,bmse000518,1
16,covalent,SING,C1,H13,,,,,10733,bmse000518,1
17,covalent,SING,C1,H11,,,,,10733,bmse000518,1
1,covalent,DOUB,O28,C21,,,,,10756,bmse000519,1
2,covalent,SING,C27,C24,,,,,10756,bmse000519,1
3,covalent,SING,C27,C23,,,,,10756,bmse000519,1
4,covalent,SING,C27,C16,,,,,10756,bmse000519,1
5,covalent,SING,C27,C5,,,,,10756,bmse000519,1
6,covalent,SING,C24,C22,,,,,10756,bmse000519,1
7,covalent,SING,C24,C12,,,,,10756,bmse000519,1
8,covalent,SING,C24,H71,,,,,10756,bmse000519,1
9,covalent,SING,C22,C25,,,,,10756,bmse000519,1
10,covalent,SING,C22,C10,,,,,10756,bmse000519,1
11,covalent,SING,C22,H69,,,,,10756,bmse000519,1
12,covalent,SING,C25,C26,,,,,10756,bmse000519,1
13,covalent,SING,C25,C14,,,,,10756,bmse000519,1
14,covalent,SING,C25,H72,,,,,10756,bmse000519,1
15,covalent,SING,C23,C11,,,,,10756,bmse000519,1
16,covalent,SING,C23,C19,,,,,10756,bmse000519,1
17,covalent,SING,C23,H70,,,,,10756,bmse000519,1
18,covalent,SING,C16,C14,,,,,10756,bmse000519,1
19,covalent,SING,C16,H64,,,,,10756,bmse000519,1
20,covalent,SING,C16,H65,,,,,10756,bmse000519,1
21,covalent,SING,C12,C11,,,,,10756,bmse000519,1
22,covalent,SING,C12,H56,,,,,10756,bmse000519,1
23,covalent,SING,C12,H57,,,,,10756,bmse000519,1
24,covalent,SING,C26,C20,,,,,10756,bmse000519,1
25,covalent,SING,C26,C15,,,,,10756,bmse000519,1
26,covalent,SING,C26,C4,,,,,10756,bmse000519,1
27,covalent,SING,C14,H60,,,,,10756,bmse000519,1
28,covalent,SING,C14,H61,,,,,10756,bmse000519,1
29,covalent,SING,C11,H54,,,,,10756,bmse000519,1
30,covalent,SING,C11,H55,,,,,10756,bmse000519,1
31,covalent,SING,C10,C9,,,,,10756,bmse000519,1
32,covalent,SING,C10,H52,,,,,10756,bmse000519,1
33,covalent,SING,C10,H53,,,,,10756,bmse000519,1
34,covalent,SING,C19,C8,,,,,10756,bmse000519,1
35,covalent,SING,C19,C3,,,,,10756,bmse000519,1
36,covalent,SING,C19,H68,,,,,10756,bmse000519,1
37,covalent,SING,C5,H42,,,,,10756,bmse000519,1
38,covalent,SING,C5,H41,,,,,10756,bmse000519,1
39,covalent,SING,C5,H43,,,,,10756,bmse000519,1
40,covalent,SING,C20,C9,,,,,10756,bmse000519,1
41,covalent,DOUB,C20,C17,,,,,10756,bmse000519,1
42,covalent,SING,C9,H50,,,,,10756,bmse000519,1
43,covalent,SING,C9,H51,,,,,10756,bmse000519,1
44,covalent,SING,C15,C13,,,,,10756,bmse000519,1
45,covalent,SING,C15,H62,,,,,10756,bmse000519,1
46,covalent,SING,C15,H63,,,,,10756,bmse000519,1
47,covalent,SING,C4,H38,,,,,10756,bmse000519,1
48,covalent,SING,C4,H40,,,,,10756,bmse000519,1
49,covalent,SING,C4,H39,,,,,10756,bmse000519,1
50,covalent,SING,C8,C6,,,,,10756,bmse000519,1
51,covalent,SING,C8,H48,,,,,10756,bmse000519,1
52,covalent,SING,C8,H49,,,,,10756,bmse000519,1
53,covalent,SING,C3,H35,,,,,10756,bmse000519,1
54,covalent,SING,C3,H37,,,,,10756,bmse000519,1
55,covalent,SING,C3,H36,,,,,10756,bmse000519,1
56,covalent,SING,C13,C21,,,,,10756,bmse000519,1
57,covalent,SING,C13,H58,,,,,10756,bmse000519,1
58,covalent,SING,C13,H59,,,,,10756,bmse000519,1
59,covalent,SING,C17,C21,,,,,10756,bmse000519,1
60,covalent,SING,C17,H66,,,,,10756,bmse000519,1
61,covalent,SING,C6,C7,,,,,10756,bmse000519,1
62,covalent,SING,C6,H44,,,,,10756,bmse000519,1
63,covalent,SING,C6,H45,,,,,10756,bmse000519,1
64,covalent,SING,C7,C18,,,,,10756,bmse000519,1
65,covalent,SING,C7,H46,,,,,10756,bmse000519,1
66,covalent,SING,C7,H47,,,,,10756,bmse000519,1
67,covalent,SING,C18,C1,,,,,10756,bmse000519,1
68,covalent,SING,C18,C2,,,,,10756,bmse000519,1
69,covalent,SING,C18,H67,,,,,10756,bmse000519,1
70,covalent,SING,C1,H31,,,,,10756,bmse000519,1
71,covalent,SING,C1,H30,,,,,10756,bmse000519,1
72,covalent,SING,C1,H29,,,,,10756,bmse000519,1
73,covalent,SING,C2,H34,,,,,10756,bmse000519,1
74,covalent,SING,C2,H33,,,,,10756,bmse000519,1
75,covalent,SING,C2,H32,,,,,10756,bmse000519,1
1,covalent,SING,O9,C6,,,,,10778,bmse000520,1
2,covalent,SING,O9,H19,,,,,10778,bmse000520,1
3,covalent,DOUB,C8,C4,,,,,10778,bmse000520,1
4,covalent,SING,C8,C5,,,,,10778,bmse000520,1
5,covalent,SING,C8,C6,,,,,10778,bmse000520,1
6,covalent,DOUB,C7,C2,,,,,10778,bmse000520,1
7,covalent,SING,C7,C3,,,,,10778,bmse000520,1
8,covalent,SING,C7,C1,,,,,10778,bmse000520,1
9,covalent,SING,C4,C2,,,,,10778,bmse000520,1
10,covalent,SING,C4,H15,,,,,10778,bmse000520,1
11,covalent,DOUB,C5,C3,,,,,10778,bmse000520,1
12,covalent,SING,C5,H16,,,,,10778,bmse000520,1
13,covalent,SING,C2,H13,,,,,10778,bmse000520,1
14,covalent,SING,C3,H14,,,,,10778,bmse000520,1
15,covalent,SING,C6,H17,,,,,10778,bmse000520,1
16,covalent,SING,C6,H18,,,,,10778,bmse000520,1
17,covalent,SING,C1,H10,,,,,10778,bmse000520,1
18,covalent,SING,C1,H11,,,,,10778,bmse000520,1
19,covalent,SING,C1,H12,,,,,10778,bmse000520,1
1,covalent,DOUB,O14,C13,,,,,10800,bmse000521,1
2,covalent,SING,C9,C10,,,,,10800,bmse000521,1
3,covalent,SING,C9,C11,,,,,10800,bmse000521,1
4,covalent,DOUB,C9,C5,,,,,10800,bmse000521,1
5,covalent,SING,C10,C12,,,,,10800,bmse000521,1
6,covalent,DOUB,C10,C6,,,,,10800,bmse000521,1
7,covalent,SING,C11,C13,,,,,10800,bmse000521,1
8,covalent,DOUB,C11,C7,,,,,10800,bmse000521,1
9,covalent,SING,C12,C13,,,,,10800,bmse000521,1
10,covalent,DOUB,C12,C8,,,,,10800,bmse000521,1
11,covalent,SING,C5,C1,,,,,10800,bmse000521,1
12,covalent,SING,C5,H19,,,,,10800,bmse000521,1
13,covalent,SING,C6,C2,,,,,10800,bmse000521,1
14,covalent,SING,C6,H20,,,,,10800,bmse000521,1
15,covalent,SING,C7,C3,,,,,10800,bmse000521,1
16,covalent,SING,C7,H21,,,,,10800,bmse000521,1
17,covalent,SING,C8,C4,,,,,10800,bmse000521,1
18,covalent,SING,C8,H22,,,,,10800,bmse000521,1
19,covalent,DOUB,C1,C3,,,,,10800,bmse000521,1
20,covalent,SING,C1,H15,,,,,10800,bmse000521,1
21,covalent,DOUB,C2,C4,,,,,10800,bmse000521,1
22,covalent,SING,C2,H16,,,,,10800,bmse000521,1
23,covalent,SING,C3,H17,,,,,10800,bmse000521,1
24,covalent,SING,C4,H18,,,,,10800,bmse000521,1
1,covalent,DOUB,O21,C15,,,,,10823,bmse000522,1
2,covalent,DOUB,O22,C16,,,,,10823,bmse000522,1
3,covalent,DOUB,O20,C12,,,,,10823,bmse000522,1
4,covalent,SING,C13,C14,,,,,10823,bmse000522,1
5,covalent,SING,C13,C17,,,,,10823,bmse000522,1
6,covalent,SING,C13,C4,,,,,10823,bmse000522,1
7,covalent,SING,C13,H44,,,,,10823,bmse000522,1
8,covalent,SING,C14,C19,,,,,10823,bmse000522,1
9,covalent,SING,C14,C5,,,,,10823,bmse000522,1
10,covalent,SING,C14,H45,,,,,10823,bmse000522,1
11,covalent,SING,C17,C18,,,,,10823,bmse000522,1
12,covalent,SING,C17,C15,,,,,10823,bmse000522,1
13,covalent,SING,C17,H46,,,,,10823,bmse000522,1
14,covalent,SING,C19,C10,,,,,10823,bmse000522,1
15,covalent,SING,C19,C16,,,,,10823,bmse000522,1
16,covalent,SING,C19,C2,,,,,10823,bmse000522,1
17,covalent,SING,C18,C11,,,,,10823,bmse000522,1
18,covalent,SING,C18,C8,,,,,10823,bmse000522,1
19,covalent,SING,C18,C1,,,,,10823,bmse000522,1
20,covalent,SING,C4,C3,,,,,10823,bmse000522,1
21,covalent,SING,C4,H31,,,,,10823,bmse000522,1
22,covalent,SING,C4,H32,,,,,10823,bmse000522,1
23,covalent,SING,C10,C15,,,,,10823,bmse000522,1
24,covalent,SING,C10,H42,,,,,10823,bmse000522,1
25,covalent,SING,C10,H43,,,,,10823,bmse000522,1
26,covalent,SING,C5,C6,,,,,10823,bmse000522,1
27,covalent,SING,C5,H33,,,,,10823,bmse000522,1
28,covalent,SING,C5,H34,,,,,10823,bmse000522,1
29,covalent,SING,C11,C3,,,,,10823,bmse000522,1
30,covalent,DOUB,C11,C9,,,,,10823,bmse000522,1
31,covalent,SING,C3,H29,,,,,10823,bmse000522,1
32,covalent,SING,C3,H30,,,,,10823,bmse000522,1
33,covalent,SING,C16,C6,,,,,10823,bmse000522,1
34,covalent,SING,C6,H35,,,,,10823,bmse000522,1
35,covalent,SING,C6,H36,,,,,10823,bmse000522,1
36,covalent,SING,C8,C7,,,,,10823,bmse000522,1
37,covalent,SING,C8,H39,,,,,10823,bmse000522,1
38,covalent,SING,C8,H40,,,,,10823,bmse000522,1
39,covalent,SING,C2,H27,,,,,10823,bmse000522,1
40,covalent,SING,C2,H26,,,,,10823,bmse000522,1
41,covalent,SING,C2,H28,,,,,10823,bmse000522,1
42,covalent,SING,C1,H23,,,,,10823,bmse000522,1
43,covalent,SING,C1,H25,,,,,10823,bmse000522,1
44,covalent,SING,C1,H24,,,,,10823,bmse000522,1
45,covalent,SING,C7,C12,,,,,10823,bmse000522,1
46,covalent,SING,C7,H37,,,,,10823,bmse000522,1
47,covalent,SING,C7,H38,,,,,10823,bmse000522,1
48,covalent,SING,C9,C12,,,,,10823,bmse000522,1
49,covalent,SING,C9,H41,,,,,10823,bmse000522,1
1,covalent,SING,O11,C10,,,,,10845,bmse000523,1
2,covalent,SING,O11,C9,,,,,10845,bmse000523,1
3,covalent,SING,C8,C9,,,,,10845,bmse000523,1
4,covalent,SING,C8,C4,,,,,10845,bmse000523,1
5,covalent,SING,C8,C5,,,,,10845,bmse000523,1
6,covalent,SING,C8,H29,,,,,10845,bmse000523,1
7,covalent,SING,C10,C6,,,,,10845,bmse000523,1
8,covalent,SING,C10,C7,,,,,10845,bmse000523,1
9,covalent,SING,C10,C3,,,,,10845,bmse000523,1
10,covalent,SING,C9,C1,,,,,10845,bmse000523,1
11,covalent,SING,C9,C2,,,,,10845,bmse000523,1
12,covalent,SING,C4,C6,,,,,10845,bmse000523,1
13,covalent,SING,C4,H21,,,,,10845,bmse000523,1
14,covalent,SING,C4,H22,,,,,10845,bmse000523,1
15,covalent,SING,C5,C7,,,,,10845,bmse000523,1
16,covalent,SING,C5,H23,,,,,10845,bmse000523,1
17,covalent,SING,C5,H24,,,,,10845,bmse000523,1
18,covalent,SING,C6,H25,,,,,10845,bmse000523,1
19,covalent,SING,C6,H26,,,,,10845,bmse000523,1
20,covalent,SING,C7,H27,,,,,10845,bmse000523,1
21,covalent,SING,C7,H28,,,,,10845,bmse000523,1
22,covalent,SING,C3,H20,,,,,10845,bmse000523,1
23,covalent,SING,C3,H18,,,,,10845,bmse000523,1
24,covalent,SING,C3,H19,,,,,10845,bmse000523,1
25,covalent,SING,C1,H13,,,,,10845,bmse000523,1
26,covalent,SING,C1,H14,,,,,10845,bmse000523,1
27,covalent,SING,C1,H12,,,,,10845,bmse000523,1
28,covalent,SING,C2,H15,,,,,10845,bmse000523,1
29,covalent,SING,C2,H17,,,,,10845,bmse000523,1
30,covalent,SING,C2,H16,,,,,10845,bmse000523,1
1,covalent,SING,C9,C10,,,,,10868,bmse000524,1
2,covalent,SING,C9,C11,,,,,10868,bmse000524,1
3,covalent,SING,C9,H22,,,,,10868,bmse000524,1
4,covalent,SING,C9,H23,,,,,10868,bmse000524,1
5,covalent,SING,C10,C12,,,,,10868,bmse000524,1
6,covalent,DOUB,C10,C5,,,,,10868,bmse000524,1
7,covalent,SING,C11,C13,,,,,10868,bmse000524,1
8,covalent,DOUB,C11,C6,,,,,10868,bmse000524,1
9,covalent,SING,C12,C13,,,,,10868,bmse000524,1
10,covalent,DOUB,C12,C7,,,,,10868,bmse000524,1
11,covalent,DOUB,C13,C8,,,,,10868,bmse000524,1
12,covalent,SING,C5,C1,,,,,10868,bmse000524,1
13,covalent,SING,C5,H18,,,,,10868,bmse000524,1
14,covalent,SING,C6,C2,,,,,10868,bmse000524,1
15,covalent,SING,C6,H19,,,,,10868,bmse000524,1
16,covalent,SING,C7,C3,,,,,10868,bmse000524,1
17,covalent,SING,C7,H20,,,,,10868,bmse000524,1
18,covalent,SING,C8,C4,,,,,10868,bmse000524,1
19,covalent,SING,C8,H21,,,,,10868,bmse000524,1
20,covalent,DOUB,C1,C3,,,,,10868,bmse000524,1
21,covalent,SING,C1,H14,,,,,10868,bmse000524,1
22,covalent,DOUB,C2,C4,,,,,10868,bmse000524,1
23,covalent,SING,C2,H15,,,,,10868,bmse000524,1
24,covalent,SING,C3,H16,,,,,10868,bmse000524,1
25,covalent,SING,C4,H17,,,,,10868,bmse000524,1
1,covalent,DOUB,O13,C11,,,,,10891,bmse000525,1
2,covalent,SING,O14,C12,,,,,10891,bmse000525,1
3,covalent,SING,O14,H33,,,,,10891,bmse000525,1
4,covalent,DOUB,O15,C12,,,,,10891,bmse000525,1
5,covalent,SING,C9,C10,,,,,10891,bmse000525,1
6,covalent,SING,C9,C6,,,,,10891,bmse000525,1
7,covalent,SING,C9,C8,,,,,10891,bmse000525,1
8,covalent,SING,C9,H31,,,,,10891,bmse000525,1
9,covalent,SING,C10,C11,,,,,10891,bmse000525,1
10,covalent,SING,C10,C5,,,,,10891,bmse000525,1
11,covalent,SING,C10,H32,,,,,10891,bmse000525,1
12,covalent,SING,C6,C7,,,,,10891,bmse000525,1
13,covalent,SING,C6,H25,,,,,10891,bmse000525,1
14,covalent,SING,C6,H26,,,,,10891,bmse000525,1
15,covalent,SING,C7,C11,,,,,10891,bmse000525,1
16,covalent,SING,C7,H27,,,,,10891,bmse000525,1
17,covalent,SING,C7,H28,,,,,10891,bmse000525,1
18,covalent,SING,C8,C12,,,,,10891,bmse000525,1
19,covalent,SING,C8,H29,,,,,10891,bmse000525,1
20,covalent,SING,C8,H30,,,,,10891,bmse000525,1
21,covalent,SING,C5,C4,,,,,10891,bmse000525,1
22,covalent,SING,C5,H23,,,,,10891,bmse000525,1
23,covalent,SING,C5,H24,,,,,10891,bmse000525,1
24,covalent,DOUB,C4,C3,,,,,10891,bmse000525,1
25,covalent,SING,C4,H22,,,,,10891,bmse000525,1
26,covalent,SING,C3,C2,,,,,10891,bmse000525,1
27,covalent,SING,C3,H21,,,,,10891,bmse000525,1
28,covalent,SING,C2,C1,,,,,10891,bmse000525,1
29,covalent,SING,C2,H19,,,,,10891,bmse000525,1
30,covalent,SING,C2,H20,,,,,10891,bmse000525,1
31,covalent,SING,C1,H18,,,,,10891,bmse000525,1
32,covalent,SING,C1,H16,,,,,10891,bmse000525,1
33,covalent,SING,C1,H17,,,,,10891,bmse000525,1
1,covalent,SING,C7,C8,,,,,10913,bmse000526,1
2,covalent,DOUB,C7,C5,,,,,10913,bmse000526,1
3,covalent,SING,C7,C1,,,,,10913,bmse000526,1
4,covalent,DOUB,C8,C6,,,,,10913,bmse000526,1
5,covalent,SING,C8,C2,,,,,10913,bmse000526,1
6,covalent,SING,C5,C3,,,,,10913,bmse000526,1
7,covalent,SING,C5,H17,,,,,10913,bmse000526,1
8,covalent,SING,C6,C4,,,,,10913,bmse000526,1
9,covalent,SING,C6,H18,,,,,10913,bmse000526,1
10,covalent,SING,C1,H10,,,,,10913,bmse000526,1
11,covalent,SING,C1,H11,,,,,10913,bmse000526,1
12,covalent,SING,C1,H9,,,,,10913,bmse000526,1
13,covalent,SING,C2,H13,,,,,10913,bmse000526,1
14,covalent,SING,C2,H14,,,,,10913,bmse000526,1
15,covalent,SING,C2,H12,,,,,10913,bmse000526,1
16,covalent,DOUB,C3,C4,,,,,10913,bmse000526,1
17,covalent,SING,C3,H15,,,,,10913,bmse000526,1
18,covalent,SING,C4,H16,,,,,10913,bmse000526,1
1,covalent,DOUB,O9,C6,,,,,10936,bmse000527,1
2,covalent,DOUB,C7,C2,,,,,10936,bmse000527,1
3,covalent,SING,C7,C3,,,,,10936,bmse000527,1
4,covalent,SING,C7,C1,,,,,10936,bmse000527,1
5,covalent,SING,C2,C4,,,,,10936,bmse000527,1
6,covalent,SING,C2,H13,,,,,10936,bmse000527,1
7,covalent,DOUB,C3,C5,,,,,10936,bmse000527,1
8,covalent,SING,C3,H14,,,,,10936,bmse000527,1
9,covalent,DOUB,C8,C4,,,,,10936,bmse000527,1
10,covalent,SING,C8,C5,,,,,10936,bmse000527,1
11,covalent,SING,C8,C6,,,,,10936,bmse000527,1
12,covalent,SING,C4,H15,,,,,10936,bmse000527,1
13,covalent,SING,C5,H16,,,,,10936,bmse000527,1
14,covalent,SING,C1,H11,,,,,10936,bmse000527,1
15,covalent,SING,C1,H12,,,,,10936,bmse000527,1
16,covalent,SING,C1,H10,,,,,10936,bmse000527,1
17,covalent,SING,C6,H17,,,,,10936,bmse000527,1
1,covalent,SING,C23,O30,,,,,10959,bmse000528,1
2,covalent,SING,O30,H78,,,,,10959,bmse000528,1
3,covalent,SING,C29,C26,,,,,10959,bmse000528,1
4,covalent,SING,C29,C25,,,,,10959,bmse000528,1
5,covalent,SING,C29,C17,,,,,10959,bmse000528,1
6,covalent,SING,C29,C6,,,,,10959,bmse000528,1
7,covalent,SING,C26,C24,,,,,10959,bmse000528,1
8,covalent,SING,C26,C13,,,,,10959,bmse000528,1
9,covalent,SING,C26,H76,,,,,10959,bmse000528,1
10,covalent,SING,C24,C27,,,,,10959,bmse000528,1
11,covalent,SING,C24,C11,,,,,10959,bmse000528,1
12,covalent,SING,C24,H74,,,,,10959,bmse000528,1
13,covalent,SING,C27,C28,,,,,10959,bmse000528,1
14,covalent,SING,C27,C15,,,,,10959,bmse000528,1
15,covalent,SING,C27,H77,,,,,10959,bmse000528,1
16,covalent,SING,C25,C12,,,,,10959,bmse000528,1
17,covalent,SING,C25,C20,,,,,10959,bmse000528,1
18,covalent,SING,C25,H75,,,,,10959,bmse000528,1
19,covalent,SING,C17,C15,,,,,10959,bmse000528,1
20,covalent,SING,C17,H66,,,,,10959,bmse000528,1
21,covalent,SING,C17,H67,,,,,10959,bmse000528,1
22,covalent,SING,C28,C22,,,,,10959,bmse000528,1
23,covalent,SING,C28,C16,,,,,10959,bmse000528,1
24,covalent,SING,C28,C5,,,,,10959,bmse000528,1
25,covalent,SING,C13,C12,,,,,10959,bmse000528,1
26,covalent,SING,C13,H58,,,,,10959,bmse000528,1
27,covalent,SING,C13,H59,,,,,10959,bmse000528,1
28,covalent,SING,C15,H62,,,,,10959,bmse000528,1
29,covalent,SING,C15,H63,,,,,10959,bmse000528,1
30,covalent,SING,C12,H56,,,,,10959,bmse000528,1
31,covalent,SING,C12,H57,,,,,10959,bmse000528,1
32,covalent,SING,C11,C10,,,,,10959,bmse000528,1
33,covalent,SING,C11,H54,,,,,10959,bmse000528,1
34,covalent,SING,C11,H55,,,,,10959,bmse000528,1
35,covalent,SING,C6,H46,,,,,10959,bmse000528,1
36,covalent,SING,C6,H48,,,,,10959,bmse000528,1
37,covalent,SING,C6,H47,,,,,10959,bmse000528,1
38,covalent,DOUB,C22,C10,,,,,10959,bmse000528,1
39,covalent,SING,C22,C18,,,,,10959,bmse000528,1
40,covalent,SING,C20,C4,,,,,10959,bmse000528,1
41,covalent,SING,C20,C8,,,,,10959,bmse000528,1
42,covalent,SING,C20,H71,,,,,10959,bmse000528,1
43,covalent,SING,C16,C14,,,,,10959,bmse000528,1
44,covalent,SING,C16,H64,,,,,10959,bmse000528,1
45,covalent,SING,C16,H65,,,,,10959,bmse000528,1
46,covalent,SING,C10,H53,,,,,10959,bmse000528,1
47,covalent,SING,C5,H45,,,,,10959,bmse000528,1
48,covalent,SING,C5,H44,,,,,10959,bmse000528,1
49,covalent,SING,C5,H43,,,,,10959,bmse000528,1
50,covalent,SING,C18,C23,,,,,10959,bmse000528,1
51,covalent,SING,C18,H68,,,,,10959,bmse000528,1
52,covalent,SING,C18,H69,,,,,10959,bmse000528,1
53,covalent,SING,C14,C23,,,,,10959,bmse000528,1
54,covalent,SING,C14,H60,,,,,10959,bmse000528,1
55,covalent,SING,C14,H61,,,,,10959,bmse000528,1
56,covalent,SING,C23,H73,,,,,10959,bmse000528,1
57,covalent,SING,C4,H42,,,,,10959,bmse000528,1
58,covalent,SING,C4,H41,,,,,10959,bmse000528,1
59,covalent,SING,C4,H40,,,,,10959,bmse000528,1
60,covalent,DOUB,C8,C9,,,,,10959,bmse000528,1
61,covalent,SING,C8,H51,,,,,10959,bmse000528,1
62,covalent,SING,C9,C21,,,,,10959,bmse000528,1
63,covalent,SING,C9,H52,,,,,10959,bmse000528,1
64,covalent,SING,C21,C19,,,,,10959,bmse000528,1
65,covalent,SING,C21,C7,,,,,10959,bmse000528,1
66,covalent,SING,C21,H72,,,,,10959,bmse000528,1
67,covalent,SING,C19,C2,,,,,10959,bmse000528,1
68,covalent,SING,C19,C3,,,,,10959,bmse000528,1
69,covalent,SING,C19,H70,,,,,10959,bmse000528,1
70,covalent,SING,C7,C1,,,,,10959,bmse000528,1
71,covalent,SING,C7,H49,,,,,10959,bmse000528,1
72,covalent,SING,C7,H50,,,,,10959,bmse000528,1
73,covalent,SING,C2,H36,,,,,10959,bmse000528,1
74,covalent,SING,C2,H35,,,,,10959,bmse000528,1
75,covalent,SING,C2,H34,,,,,10959,bmse000528,1
76,covalent,SING,C3,H37,,,,,10959,bmse000528,1
77,covalent,SING,C3,H38,,,,,10959,bmse000528,1
78,covalent,SING,C3,H39,,,,,10959,bmse000528,1
79,covalent,SING,C1,H31,,,,,10959,bmse000528,1
80,covalent,SING,C1,H32,,,,,10959,bmse000528,1
81,covalent,SING,C1,H33,,,,,10959,bmse000528,1
1,covalent,SING,C18,O24,,,,,10981,bmse000529,1
2,covalent,SING,O24,H54,,,,,10981,bmse000529,1
3,covalent,DOUB,O22,C12,,,,,10981,bmse000529,1
4,covalent,DOUB,O23,C14,,,,,10981,bmse000529,1
5,covalent,SING,C17,C21,,,,,10981,bmse000529,1
6,covalent,SING,C17,C15,,,,,10981,bmse000529,1
7,covalent,SING,C17,C7,,,,,10981,bmse000529,1
8,covalent,SING,C17,H51,,,,,10981,bmse000529,1
9,covalent,SING,C21,C11,,,,,10981,bmse000529,1
10,covalent,SING,C21,C16,,,,,10981,bmse000529,1
11,covalent,SING,C21,C3,,,,,10981,bmse000529,1
12,covalent,SING,C15,C19,,,,,10981,bmse000529,1
13,covalent,SING,C15,C5,,,,,10981,bmse000529,1
14,covalent,SING,C15,H49,,,,,10981,bmse000529,1
15,covalent,SING,C19,C20,,,,,10981,bmse000529,1
16,covalent,SING,C19,C18,,,,,10981,bmse000529,1
17,covalent,SING,C19,H53,,,,,10981,bmse000529,1
18,covalent,SING,C20,C13,,,,,10981,bmse000529,1
19,covalent,SING,C20,C9,,,,,10981,bmse000529,1
20,covalent,SING,C20,C2,,,,,10981,bmse000529,1
21,covalent,SING,C11,C18,,,,,10981,bmse000529,1
22,covalent,SING,C11,H47,,,,,10981,bmse000529,1
23,covalent,SING,C11,H48,,,,,10981,bmse000529,1
24,covalent,SING,C16,C6,,,,,10981,bmse000529,1
25,covalent,SING,C16,C12,,,,,10981,bmse000529,1
26,covalent,SING,C16,H50,,,,,10981,bmse000529,1
27,covalent,SING,C18,H52,,,,,10981,bmse000529,1
28,covalent,SING,C7,C6,,,,,10981,bmse000529,1
29,covalent,SING,C7,H40,,,,,10981,bmse000529,1
30,covalent,SING,C7,H41,,,,,10981,bmse000529,1
31,covalent,SING,C5,C4,,,,,10981,bmse000529,1
32,covalent,SING,C5,H36,,,,,10981,bmse000529,1
33,covalent,SING,C5,H37,,,,,10981,bmse000529,1
34,covalent,SING,C6,H38,,,,,10981,bmse000529,1
35,covalent,SING,C6,H39,,,,,10981,bmse000529,1
36,covalent,SING,C13,C4,,,,,10981,bmse000529,1
37,covalent,DOUB,C13,C10,,,,,10981,bmse000529,1
38,covalent,SING,C3,H31,,,,,10981,bmse000529,1
39,covalent,SING,C3,H33,,,,,10981,bmse000529,1
40,covalent,SING,C3,H32,,,,,10981,bmse000529,1
41,covalent,SING,C4,H34,,,,,10981,bmse000529,1
42,covalent,SING,C4,H35,,,,,10981,bmse000529,1
43,covalent,SING,C9,C8,,,,,10981,bmse000529,1
44,covalent,SING,C9,H44,,,,,10981,bmse000529,1
45,covalent,SING,C9,H45,,,,,10981,bmse000529,1
46,covalent,SING,C2,H28,,,,,10981,bmse000529,1
47,covalent,SING,C2,H30,,,,,10981,bmse000529,1
48,covalent,SING,C2,H29,,,,,10981,bmse000529,1
49,covalent,SING,C12,C1,,,,,10981,bmse000529,1
50,covalent,SING,C8,C14,,,,,10981,bmse000529,1
51,covalent,SING,C8,H42,,,,,10981,bmse000529,1
52,covalent,SING,C8,H43,,,,,10981,bmse000529,1
53,covalent,SING,C10,C14,,,,,10981,bmse000529,1
54,covalent,SING,C10,H46,,,,,10981,bmse000529,1
55,covalent,SING,C1,H26,,,,,10981,bmse000529,1
56,covalent,SING,C1,H25,,,,,10981,bmse000529,1
57,covalent,SING,C1,H27,,,,,10981,bmse000529,1
1,covalent,SING,C3,C4,,,,,11003,bmse000530,1
2,covalent,SING,C3,C7,,,,,11003,bmse000530,1
3,covalent,SING,C3,H13,,,,,11003,bmse000530,1
4,covalent,SING,C3,H14,,,,,11003,bmse000530,1
5,covalent,SING,C4,C8,,,,,11003,bmse000530,1
6,covalent,SING,C4,H15,,,,,11003,bmse000530,1
7,covalent,SING,C4,H16,,,,,11003,bmse000530,1
8,covalent,SING,C7,C9,,,,,11003,bmse000530,1
9,covalent,SING,C7,H19,,,,,11003,bmse000530,1
10,covalent,SING,C7,H20,,,,,11003,bmse000530,1
11,covalent,SING,C8,C10,,,,,11003,bmse000530,1
12,covalent,SING,C8,H21,,,,,11003,bmse000530,1
13,covalent,SING,C8,H22,,,,,11003,bmse000530,1
14,covalent,SING,C9,C10,,,,,11003,bmse000530,1
15,covalent,DOUB,C9,C5,,,,,11003,bmse000530,1
16,covalent,DOUB,C10,C6,,,,,11003,bmse000530,1
17,covalent,SING,C5,C1,,,,,11003,bmse000530,1
18,covalent,SING,C5,H17,,,,,11003,bmse000530,1
19,covalent,SING,C6,C2,,,,,11003,bmse000530,1
20,covalent,SING,C6,H18,,,,,11003,bmse000530,1
21,covalent,DOUB,C1,C2,,,,,11003,bmse000530,1
22,covalent,SING,C1,H11,,,,,11003,bmse000530,1
23,covalent,SING,C2,H12,,,,,11003,bmse000530,1
1,covalent,SING,C11,C10,,,,,11025,bmse000531,1
2,covalent,SING,C11,C9,,,,,11025,bmse000531,1
3,covalent,DOUB,C11,C8,,,,,11025,bmse000531,1
4,covalent,SING,C10,C7,,,,,11025,bmse000531,1
5,covalent,DOUB,C10,C6,,,,,11025,bmse000531,1
6,covalent,DOUB,C9,C5,,,,,11025,bmse000531,1
7,covalent,SING,C9,C1,,,,,11025,bmse000531,1
8,covalent,SING,C8,C3,,,,,11025,bmse000531,1
9,covalent,SING,C8,H21,,,,,11025,bmse000531,1
10,covalent,DOUB,C7,C4,,,,,11025,bmse000531,1
11,covalent,SING,C7,H20,,,,,11025,bmse000531,1
12,covalent,SING,C5,C4,,,,,11025,bmse000531,1
13,covalent,SING,C5,H18,,,,,11025,bmse000531,1
14,covalent,SING,C6,C2,,,,,11025,bmse000531,1
15,covalent,SING,C6,H19,,,,,11025,bmse000531,1
16,covalent,SING,C4,H17,,,,,11025,bmse000531,1
17,covalent,SING,C1,H12,,,,,11025,bmse000531,1
18,covalent,SING,C1,H13,,,,,11025,bmse000531,1
19,covalent,SING,C1,H14,,,,,11025,bmse000531,1
20,covalent,DOUB,C3,C2,,,,,11025,bmse000531,1
21,covalent,SING,C3,H16,,,,,11025,bmse000531,1
22,covalent,SING,C2,H15,,,,,11025,bmse000531,1
1,covalent,DOUB,O12,C8,,,,,11047,bmse000532,1
2,covalent,SING,C11,C9,,,,,11047,bmse000532,1
3,covalent,SING,C11,C10,,,,,11047,bmse000532,1
4,covalent,DOUB,C11,C7,,,,,11047,bmse000532,1
5,covalent,SING,C9,C5,,,,,11047,bmse000532,1
6,covalent,DOUB,C9,C4,,,,,11047,bmse000532,1
7,covalent,DOUB,C10,C6,,,,,11047,bmse000532,1
8,covalent,SING,C10,C8,,,,,11047,bmse000532,1
9,covalent,SING,C7,C2,,,,,11047,bmse000532,1
10,covalent,SING,C7,H19,,,,,11047,bmse000532,1
11,covalent,DOUB,C5,C3,,,,,11047,bmse000532,1
12,covalent,SING,C5,H17,,,,,11047,bmse000532,1
13,covalent,SING,C4,C1,,,,,11047,bmse000532,1
14,covalent,SING,C4,H16,,,,,11047,bmse000532,1
15,covalent,SING,C6,C3,,,,,11047,bmse000532,1
16,covalent,SING,C6,H18,,,,,11047,bmse000532,1
17,covalent,SING,C3,H15,,,,,11047,bmse000532,1
18,covalent,DOUB,C2,C1,,,,,11047,bmse000532,1
19,covalent,SING,C2,H14,,,,,11047,bmse000532,1
20,covalent,SING,C1,H13,,,,,11047,bmse000532,1
21,covalent,SING,C8,H20,,,,,11047,bmse000532,1
1,covalent,SING,C10,O11,,,,,11069,bmse000533,1
2,covalent,SING,O11,H29,,,,,11069,bmse000533,1
3,covalent,SING,C8,C10,,,,,11069,bmse000533,1
4,covalent,SING,C8,C4,,,,,11069,bmse000533,1
5,covalent,SING,C8,C3,,,,,11069,bmse000533,1
6,covalent,SING,C8,H26,,,,,11069,bmse000533,1
7,covalent,SING,C9,C6,,,,,11069,bmse000533,1
8,covalent,SING,C9,C5,,,,,11069,bmse000533,1
9,covalent,SING,C9,C7,,,,,11069,bmse000533,1
10,covalent,SING,C9,H27,,,,,11069,bmse000533,1
11,covalent,SING,C10,C6,,,,,11069,bmse000533,1
12,covalent,SING,C10,H28,,,,,11069,bmse000533,1
13,covalent,SING,C6,H24,,,,,11069,bmse000533,1
14,covalent,SING,C6,H25,,,,,11069,bmse000533,1
15,covalent,SING,C4,C5,,,,,11069,bmse000533,1
16,covalent,SING,C4,H20,,,,,11069,bmse000533,1
17,covalent,SING,C4,H21,,,,,11069,bmse000533,1
18,covalent,SING,C5,H22,,,,,11069,bmse000533,1
19,covalent,SING,C5,H23,,,,,11069,bmse000533,1
20,covalent,SING,C3,H19,,,,,11069,bmse000533,1
21,covalent,SING,C3,H17,,,,,11069,bmse000533,1
22,covalent,SING,C3,H18,,,,,11069,bmse000533,1
23,covalent,SING,C7,C2,,,,,11069,bmse000533,1
24,covalent,DOUB,C7,C1,,,,,11069,bmse000533,1
25,covalent,SING,C2,H14,,,,,11069,bmse000533,1
26,covalent,SING,C2,H16,,,,,11069,bmse000533,1
27,covalent,SING,C2,H15,,,,,11069,bmse000533,1
28,covalent,SING,C1,H12,,,,,11069,bmse000533,1
29,covalent,SING,C1,H13,,,,,11069,bmse000533,1
1,covalent,DOUB,O11,C6,,,,,11091,bmse000534,1
2,covalent,SING,C10,C8,,,,,11091,bmse000534,1
3,covalent,SING,C10,C9,,,,,11091,bmse000534,1
4,covalent,SING,C10,C1,,,,,11091,bmse000534,1
5,covalent,SING,C10,C2,,,,,11091,bmse000534,1
6,covalent,SING,C8,C5,,,,,11091,bmse000534,1
7,covalent,SING,C8,C4,,,,,11091,bmse000534,1
8,covalent,SING,C8,H24,,,,,11091,bmse000534,1
9,covalent,SING,C9,C5,,,,,11091,bmse000534,1
10,covalent,SING,C9,C7,,,,,11091,bmse000534,1
11,covalent,SING,C9,H25,,,,,11091,bmse000534,1
12,covalent,SING,C5,H21,,,,,11091,bmse000534,1
13,covalent,SING,C5,H22,,,,,11091,bmse000534,1
14,covalent,SING,C4,C3,,,,,11091,bmse000534,1
15,covalent,SING,C4,H19,,,,,11091,bmse000534,1
16,covalent,SING,C4,H20,,,,,11091,bmse000534,1
17,covalent,DOUB,C7,C3,,,,,11091,bmse000534,1
18,covalent,SING,C7,C6,,,,,11091,bmse000534,1
19,covalent,SING,C1,H13,,,,,11091,bmse000534,1
20,covalent,SING,C1,H14,,,,,11091,bmse000534,1
21,covalent,SING,C1,H12,,,,,11091,bmse000534,1
22,covalent,SING,C2,H17,,,,,11091,bmse000534,1
23,covalent,SING,C2,H15,,,,,11091,bmse000534,1
24,covalent,SING,C2,H16,,,,,11091,bmse000534,1
25,covalent,SING,C3,H18,,,,,11091,bmse000534,1
26,covalent,SING,C6,H23,,,,,11091,bmse000534,1
1,covalent,DOUB,O24,C19,,,,,11112,bmse000535,1
2,covalent,DOUB,O23,C14,,,,,11112,bmse000535,1
3,covalent,SING,O22,C12,,,,,11112,bmse000535,1
4,covalent,SING,O22,H54,,,,,11112,bmse000535,1
5,covalent,SING,C16,C21,,,,,11112,bmse000535,1
6,covalent,SING,C16,C15,,,,,11112,bmse000535,1
7,covalent,SING,C16,C5,,,,,11112,bmse000535,1
8,covalent,SING,C16,H51,,,,,11112,bmse000535,1
9,covalent,SING,C21,C18,,,,,11112,bmse000535,1
10,covalent,SING,C21,C10,,,,,11112,bmse000535,1
11,covalent,SING,C21,C2,,,,,11112,bmse000535,1
12,covalent,SING,C15,C17,,,,,11112,bmse000535,1
13,covalent,SING,C15,C4,,,,,11112,bmse000535,1
14,covalent,SING,C15,H50,,,,,11112,bmse000535,1
15,covalent,SING,C17,C20,,,,,11112,bmse000535,1
16,covalent,SING,C17,C8,,,,,11112,bmse000535,1
17,covalent,SING,C17,H52,,,,,11112,bmse000535,1
18,covalent,SING,C20,C13,,,,,11112,bmse000535,1
19,covalent,SING,C20,C9,,,,,11112,bmse000535,1
20,covalent,SING,C20,C1,,,,,11112,bmse000535,1
21,covalent,SING,C18,C6,,,,,11112,bmse000535,1
22,covalent,SING,C18,C19,,,,,11112,bmse000535,1
23,covalent,SING,C18,H53,,,,,11112,bmse000535,1
24,covalent,SING,C10,C8,,,,,11112,bmse000535,1
25,covalent,SING,C10,H45,,,,,11112,bmse000535,1
26,covalent,SING,C10,H46,,,,,11112,bmse000535,1
27,covalent,SING,C8,H41,,,,,11112,bmse000535,1
28,covalent,SING,C8,H42,,,,,11112,bmse000535,1
29,covalent,SING,C5,C6,,,,,11112,bmse000535,1
30,covalent,SING,C5,H35,,,,,11112,bmse000535,1
31,covalent,SING,C5,H36,,,,,11112,bmse000535,1
32,covalent,SING,C4,C3,,,,,11112,bmse000535,1
33,covalent,SING,C4,H33,,,,,11112,bmse000535,1
34,covalent,SING,C4,H34,,,,,11112,bmse000535,1
35,covalent,SING,C6,H37,,,,,11112,bmse000535,1
36,covalent,SING,C6,H38,,,,,11112,bmse000535,1
37,covalent,SING,C13,C3,,,,,11112,bmse000535,1
38,covalent,DOUB,C13,C11,,,,,11112,bmse000535,1
39,covalent,SING,C2,H28,,,,,11112,bmse000535,1
40,covalent,SING,C2,H30,,,,,11112,bmse000535,1
41,covalent,SING,C2,H29,,,,,11112,bmse000535,1
42,covalent,SING,C3,H31,,,,,11112,bmse000535,1
43,covalent,SING,C3,H32,,,,,11112,bmse000535,1
44,covalent,SING,C9,C7,,,,,11112,bmse000535,1
45,covalent,SING,C9,H43,,,,,11112,bmse000535,1
46,covalent,SING,C9,H44,,,,,11112,bmse000535,1
47,covalent,SING,C1,H25,,,,,11112,bmse000535,1
48,covalent,SING,C1,H27,,,,,11112,bmse000535,1
49,covalent,SING,C1,H26,,,,,11112,bmse000535,1
50,covalent,SING,C19,C12,,,,,11112,bmse000535,1
51,covalent,SING,C7,C14,,,,,11112,bmse000535,1
52,covalent,SING,C7,H39,,,,,11112,bmse000535,1
53,covalent,SING,C7,H40,,,,,11112,bmse000535,1
54,covalent,SING,C11,C14,,,,,11112,bmse000535,1
55,covalent,SING,C11,H47,,,,,11112,bmse000535,1
56,covalent,SING,C12,H48,,,,,11112,bmse000535,1
57,covalent,SING,C12,H49,,,,,11112,bmse000535,1
1,covalent,DOUB,O7,C6,,,,,11134,bmse000536,1
2,covalent,SING,C2,C3,,,,,11134,bmse000536,1
3,covalent,SING,C2,C1,,,,,11134,bmse000536,1
4,covalent,SING,C2,H11,,,,,11134,bmse000536,1
5,covalent,SING,C2,H12,,,,,11134,bmse000536,1
6,covalent,SING,C3,C4,,,,,11134,bmse000536,1
7,covalent,SING,C3,H13,,,,,11134,bmse000536,1
8,covalent,SING,C3,H14,,,,,11134,bmse000536,1
9,covalent,SING,C1,H9,,,,,11134,bmse000536,1
10,covalent,SING,C1,H8,,,,,11134,bmse000536,1
11,covalent,SING,C1,H10,,,,,11134,bmse000536,1
12,covalent,DOUB,C4,C5,,,,,11134,bmse000536,1
13,covalent,SING,C4,H15,,,,,11134,bmse000536,1
14,covalent,SING,C5,C6,,,,,11134,bmse000536,1
15,covalent,SING,C5,H16,,,,,11134,bmse000536,1
16,covalent,SING,C6,H17,,,,,11134,bmse000536,1
1,covalent,SING,C11,C10,,,,,11156,bmse000537,1
2,covalent,SING,C11,C8,,,,,11156,bmse000537,1
3,covalent,DOUB,C11,C5,,,,,11156,bmse000537,1
4,covalent,SING,C10,C7,,,,,11156,bmse000537,1
5,covalent,DOUB,C10,C4,,,,,11156,bmse000537,1
6,covalent,DOUB,C9,C8,,,,,11156,bmse000537,1
7,covalent,SING,C9,C6,,,,,11156,bmse000537,1
8,covalent,SING,C9,C1,,,,,11156,bmse000537,1
9,covalent,SING,C8,H21,,,,,11156,bmse000537,1
10,covalent,DOUB,C7,C6,,,,,11156,bmse000537,1
11,covalent,SING,C7,H20,,,,,11156,bmse000537,1
12,covalent,SING,C6,H19,,,,,11156,bmse000537,1
13,covalent,SING,C5,C3,,,,,11156,bmse000537,1
14,covalent,SING,C5,H18,,,,,11156,bmse000537,1
15,covalent,SING,C4,C2,,,,,11156,bmse000537,1
16,covalent,SING,C4,H17,,,,,11156,bmse000537,1
17,covalent,SING,C1,H12,,,,,11156,bmse000537,1
18,covalent,SING,C1,H13,,,,,11156,bmse000537,1
19,covalent,SING,C1,H14,,,,,11156,bmse000537,1
20,covalent,DOUB,C3,C2,,,,,11156,bmse000537,1
21,covalent,SING,C3,H16,,,,,11156,bmse000537,1
22,covalent,SING,C2,H15,,,,,11156,bmse000537,1
1,covalent,SING,O9,C4,,,,,11176,bmse000538,1
2,covalent,SING,O9,C3,,,,,11176,bmse000538,1
3,covalent,SING,O8,C6,,,,,11176,bmse000538,1
4,covalent,SING,O8,H15,,,,,11176,bmse000538,1
5,covalent,DOUB,O7,C5,,,,,11176,bmse000538,1
6,covalent,DOUB,C4,C6,,,,,11176,bmse000538,1
7,covalent,SING,C4,C1,,,,,11176,bmse000538,1
8,covalent,SING,C6,C5,,,,,11176,bmse000538,1
9,covalent,SING,C1,H11,,,,,11176,bmse000538,1
10,covalent,SING,C1,H12,,,,,11176,bmse000538,1
11,covalent,SING,C1,H10,,,,,11176,bmse000538,1
12,covalent,SING,C5,C2,,,,,11176,bmse000538,1
13,covalent,DOUB,C2,C3,,,,,11176,bmse000538,1
14,covalent,SING,C2,H13,,,,,11176,bmse000538,1
15,covalent,SING,C3,H14,,,,,11176,bmse000538,1
1,covalent,SING,O11,C6,,,,,11196,bmse000539,1
2,covalent,SING,O11,C9,,,,,11196,bmse000539,1
3,covalent,DOUB,O10,C9,,,,,11196,bmse000539,1
4,covalent,SING,C7,C8,,,,,11196,bmse000539,1
5,covalent,SING,C7,C5,,,,,11196,bmse000539,1
6,covalent,DOUB,C7,C3,,,,,11196,bmse000539,1
7,covalent,SING,C8,C6,,,,,11196,bmse000539,1
8,covalent,DOUB,C8,C4,,,,,11196,bmse000539,1
9,covalent,SING,C5,C9,,,,,11196,bmse000539,1
10,covalent,SING,C5,H16,,,,,11196,bmse000539,1
11,covalent,SING,C5,H17,,,,,11196,bmse000539,1
12,covalent,SING,C6,H18,,,,,11196,bmse000539,1
13,covalent,SING,C6,H19,,,,,11196,bmse000539,1
14,covalent,SING,C3,C1,,,,,11196,bmse000539,1
15,covalent,SING,C3,H14,,,,,11196,bmse000539,1
16,covalent,SING,C4,C2,,,,,11196,bmse000539,1
17,covalent,SING,C4,H15,,,,,11196,bmse000539,1
18,covalent,DOUB,C1,C2,,,,,11196,bmse000539,1
19,covalent,SING,C1,H12,,,,,11196,bmse000539,1
20,covalent,SING,C2,H13,,,,,11196,bmse000539,1
1,covalent,SING,O9,C6,,,,,11216,bmse000540,1
2,covalent,SING,O9,H19,,,,,11216,bmse000540,1
3,covalent,SING,C8,C5,,,,,11216,bmse000540,1
4,covalent,DOUB,C8,C4,,,,,11216,bmse000540,1
5,covalent,SING,C8,C6,,,,,11216,bmse000540,1
6,covalent,DOUB,C7,C5,,,,,11216,bmse000540,1
7,covalent,SING,C7,C3,,,,,11216,bmse000540,1
8,covalent,SING,C7,C1,,,,,11216,bmse000540,1
9,covalent,SING,C5,H16,,,,,11216,bmse000540,1
10,covalent,SING,C4,C2,,,,,11216,bmse000540,1
11,covalent,SING,C4,H15,,,,,11216,bmse000540,1
12,covalent,DOUB,C3,C2,,,,,11216,bmse000540,1
13,covalent,SING,C3,H14,,,,,11216,bmse000540,1
14,covalent,SING,C6,H17,,,,,11216,bmse000540,1
15,covalent,SING,C6,H18,,,,,11216,bmse000540,1
16,covalent,SING,C2,H13,,,,,11216,bmse000540,1
17,covalent,SING,C1,H11,,,,,11216,bmse000540,1
18,covalent,SING,C1,H12,,,,,11216,bmse000540,1
19,covalent,SING,C1,H10,,,,,11216,bmse000540,1
1,covalent,SING,C21,O28,,,,,11239,bmse000541,1
2,covalent,SING,O28,H76,,,,,11239,bmse000541,1
3,covalent,SING,C27,C24,,,,,11239,bmse000541,1
4,covalent,SING,C27,C23,,,,,11239,bmse000541,1
5,covalent,SING,C27,C16,,,,,11239,bmse000541,1
6,covalent,SING,C27,C5,,,,,11239,bmse000541,1
7,covalent,SING,C24,C22,,,,,11239,bmse000541,1
8,covalent,SING,C24,C12,,,,,11239,bmse000541,1
9,covalent,SING,C24,H74,,,,,11239,bmse000541,1
10,covalent,SING,C22,C25,,,,,11239,bmse000541,1
11,covalent,SING,C22,C10,,,,,11239,bmse000541,1
12,covalent,SING,C22,H72,,,,,11239,bmse000541,1
13,covalent,SING,C25,C26,,,,,11239,bmse000541,1
14,covalent,SING,C25,C14,,,,,11239,bmse000541,1
15,covalent,SING,C25,H75,,,,,11239,bmse000541,1
16,covalent,SING,C26,C20,,,,,11239,bmse000541,1
17,covalent,SING,C26,C15,,,,,11239,bmse000541,1
18,covalent,SING,C26,C4,,,,,11239,bmse000541,1
19,covalent,SING,C23,C11,,,,,11239,bmse000541,1
20,covalent,SING,C23,C19,,,,,11239,bmse000541,1
21,covalent,SING,C23,H73,,,,,11239,bmse000541,1
22,covalent,SING,C16,C14,,,,,11239,bmse000541,1
23,covalent,SING,C16,H64,,,,,11239,bmse000541,1
24,covalent,SING,C16,H65,,,,,11239,bmse000541,1
25,covalent,SING,C20,C9,,,,,11239,bmse000541,1
26,covalent,SING,C20,C17,,,,,11239,bmse000541,1
27,covalent,SING,C20,H70,,,,,11239,bmse000541,1
28,covalent,SING,C14,H60,,,,,11239,bmse000541,1
29,covalent,SING,C14,H61,,,,,11239,bmse000541,1
30,covalent,SING,C12,C11,,,,,11239,bmse000541,1
31,covalent,SING,C12,H56,,,,,11239,bmse000541,1
32,covalent,SING,C12,H57,,,,,11239,bmse000541,1
33,covalent,SING,C10,C9,,,,,11239,bmse000541,1
34,covalent,SING,C10,H52,,,,,11239,bmse000541,1
35,covalent,SING,C10,H53,,,,,11239,bmse000541,1
36,covalent,SING,C11,H54,,,,,11239,bmse000541,1
37,covalent,SING,C11,H55,,,,,11239,bmse000541,1
38,covalent,SING,C9,H50,,,,,11239,bmse000541,1
39,covalent,SING,C9,H51,,,,,11239,bmse000541,1
40,covalent,SING,C15,C13,,,,,11239,bmse000541,1
41,covalent,SING,C15,H62,,,,,11239,bmse000541,1
42,covalent,SING,C15,H63,,,,,11239,bmse000541,1
43,covalent,SING,C5,H41,,,,,11239,bmse000541,1
44,covalent,SING,C5,H43,,,,,11239,bmse000541,1
45,covalent,SING,C5,H42,,,,,11239,bmse000541,1
46,covalent,SING,C19,C8,,,,,11239,bmse000541,1
47,covalent,SING,C19,C3,,,,,11239,bmse000541,1
48,covalent,SING,C19,H69,,,,,11239,bmse000541,1
49,covalent,SING,C17,C21,,,,,11239,bmse000541,1
50,covalent,SING,C17,H66,,,,,11239,bmse000541,1
51,covalent,SING,C17,H67,,,,,11239,bmse000541,1
52,covalent,SING,C4,H38,,,,,11239,bmse000541,1
53,covalent,SING,C4,H39,,,,,11239,bmse000541,1
54,covalent,SING,C4,H40,,,,,11239,bmse000541,1
55,covalent,SING,C13,C21,,,,,11239,bmse000541,1
56,covalent,SING,C13,H58,,,,,11239,bmse000541,1
57,covalent,SING,C13,H59,,,,,11239,bmse000541,1
58,covalent,SING,C21,H71,,,,,11239,bmse000541,1
59,covalent,SING,C8,C6,,,,,11239,bmse000541,1
60,covalent,SING,C8,H48,,,,,11239,bmse000541,1
61,covalent,SING,C8,H49,,,,,11239,bmse000541,1
62,covalent,SING,C3,H37,,,,,11239,bmse000541,1
63,covalent,SING,C3,H36,,,,,11239,bmse000541,1
64,covalent,SING,C3,H35,,,,,11239,bmse000541,1
65,covalent,SING,C6,C7,,,,,11239,bmse000541,1
66,covalent,SING,C6,H44,,,,,11239,bmse000541,1
67,covalent,SING,C6,H45,,,,,11239,bmse000541,1
68,covalent,SING,C7,C18,,,,,11239,bmse000541,1
69,covalent,SING,C7,H46,,,,,11239,bmse000541,1
70,covalent,SING,C7,H47,,,,,11239,bmse000541,1
71,covalent,SING,C18,C1,,,,,11239,bmse000541,1
72,covalent,SING,C18,C2,,,,,11239,bmse000541,1
73,covalent,SING,C18,H68,,,,,11239,bmse000541,1
74,covalent,SING,C1,H31,,,,,11239,bmse000541,1
75,covalent,SING,C1,H29,,,,,11239,bmse000541,1
76,covalent,SING,C1,H30,,,,,11239,bmse000541,1
77,covalent,SING,C2,H32,,,,,11239,bmse000541,1
78,covalent,SING,C2,H34,,,,,11239,bmse000541,1
79,covalent,SING,C2,H33,,,,,11239,bmse000541,1
1,covalent,SING,S12,S11,,,,,11261,bmse000542,1
2,covalent,SING,S12,C7,,,,,11261,bmse000542,1
3,covalent,SING,S11,C6,,,,,11261,bmse000542,1
4,covalent,SING,O9,C8,,,,,11261,bmse000542,1
5,covalent,SING,O9,H26,,,,,11261,bmse000542,1
6,covalent,DOUB,O10,C8,,,,,11261,bmse000542,1
7,covalent,SING,C7,C3,,,,,11261,bmse000542,1
8,covalent,SING,C7,C5,,,,,11261,bmse000542,1
9,covalent,SING,C7,H25,,,,,11261,bmse000542,1
10,covalent,SING,C3,C1,,,,,11261,bmse000542,1
11,covalent,SING,C3,H17,,,,,11261,bmse000542,1
12,covalent,SING,C3,H18,,,,,11261,bmse000542,1
13,covalent,SING,C5,C6,,,,,11261,bmse000542,1
14,covalent,SING,C5,H21,,,,,11261,bmse000542,1
15,covalent,SING,C5,H22,,,,,11261,bmse000542,1
16,covalent,SING,C1,C2,,,,,11261,bmse000542,1
17,covalent,SING,C1,H13,,,,,11261,bmse000542,1
18,covalent,SING,C1,H14,,,,,11261,bmse000542,1
19,covalent,SING,C2,C4,,,,,11261,bmse000542,1
20,covalent,SING,C2,H15,,,,,11261,bmse000542,1
21,covalent,SING,C2,H16,,,,,11261,bmse000542,1
22,covalent,SING,C6,H23,,,,,11261,bmse000542,1
23,covalent,SING,C6,H24,,,,,11261,bmse000542,1
24,covalent,SING,C4,C8,,,,,11261,bmse000542,1
25,covalent,SING,C4,H19,,,,,11261,bmse000542,1
26,covalent,SING,C4,H20,,,,,11261,bmse000542,1
1,covalent,SING,C13,O20,,,,,11283,bmse000543,1
2,covalent,SING,O20,H51,,,,,11283,bmse000543,1
3,covalent,DOUB,O21,C17,,,,,11283,bmse000543,1
4,covalent,SING,C16,C18,,,,,11283,bmse000543,1
5,covalent,SING,C16,C14,,,,,11283,bmse000543,1
6,covalent,SING,C16,C8,,,,,11283,bmse000543,1
7,covalent,SING,C16,H50,,,,,11283,bmse000543,1
8,covalent,SING,C18,C12,,,,,11283,bmse000543,1
9,covalent,SING,C18,C9,,,,,11283,bmse000543,1
10,covalent,SING,C18,C1,,,,,11283,bmse000543,1
11,covalent,SING,C14,C15,,,,,11283,bmse000543,1
12,covalent,SING,C14,C4,,,,,11283,bmse000543,1
13,covalent,SING,C14,H48,,,,,11283,bmse000543,1
14,covalent,SING,C15,C19,,,,,11283,bmse000543,1
15,covalent,SING,C15,C5,,,,,11283,bmse000543,1
16,covalent,SING,C15,H49,,,,,11283,bmse000543,1
17,covalent,SING,C12,C3,,,,,11283,bmse000543,1
18,covalent,SING,C12,C11,,,,,11283,bmse000543,1
19,covalent,SING,C12,H46,,,,,11283,bmse000543,1
20,covalent,SING,C19,C10,,,,,11283,bmse000543,1
21,covalent,SING,C19,C17,,,,,11283,bmse000543,1
22,covalent,SING,C19,C2,,,,,11283,bmse000543,1
23,covalent,SING,C8,C10,,,,,11283,bmse000543,1
24,covalent,SING,C8,H38,,,,,11283,bmse000543,1
25,covalent,SING,C8,H39,,,,,11283,bmse000543,1
26,covalent,SING,C4,C3,,,,,11283,bmse000543,1
27,covalent,SING,C4,H30,,,,,11283,bmse000543,1
28,covalent,SING,C4,H31,,,,,11283,bmse000543,1
29,covalent,SING,C10,H42,,,,,11283,bmse000543,1
30,covalent,SING,C10,H43,,,,,11283,bmse000543,1
31,covalent,SING,C3,H28,,,,,11283,bmse000543,1
32,covalent,SING,C3,H29,,,,,11283,bmse000543,1
33,covalent,SING,C9,C7,,,,,11283,bmse000543,1
34,covalent,SING,C9,H40,,,,,11283,bmse000543,1
35,covalent,SING,C9,H41,,,,,11283,bmse000543,1
36,covalent,SING,C5,C6,,,,,11283,bmse000543,1
37,covalent,SING,C5,H32,,,,,11283,bmse000543,1
38,covalent,SING,C5,H33,,,,,11283,bmse000543,1
39,covalent,SING,C11,C13,,,,,11283,bmse000543,1
40,covalent,SING,C11,H44,,,,,11283,bmse000543,1
41,covalent,SING,C11,H45,,,,,11283,bmse000543,1
42,covalent,SING,C1,H22,,,,,11283,bmse000543,1
43,covalent,SING,C1,H24,,,,,11283,bmse000543,1
44,covalent,SING,C1,H23,,,,,11283,bmse000543,1
45,covalent,SING,C17,C6,,,,,11283,bmse000543,1
46,covalent,SING,C7,C13,,,,,11283,bmse000543,1
47,covalent,SING,C7,H36,,,,,11283,bmse000543,1
48,covalent,SING,C7,H37,,,,,11283,bmse000543,1
49,covalent,SING,C6,H34,,,,,11283,bmse000543,1
50,covalent,SING,C6,H35,,,,,11283,bmse000543,1
51,covalent,SING,C13,H47,,,,,11283,bmse000543,1
52,covalent,SING,C2,H26,,,,,11283,bmse000543,1
53,covalent,SING,C2,H25,,,,,11283,bmse000543,1
54,covalent,SING,C2,H27,,,,,11283,bmse000543,1
1,covalent,SING,C36,O45,,,,,11306,bmse000544,1
2,covalent,SING,O45,C41,,,,,11306,bmse000544,1
3,covalent,DOUB,O44,C41,,,,,11306,bmse000544,1
4,covalent,SING,C43,C39,,,,,11306,bmse000544,1
5,covalent,SING,C43,C38,,,,,11306,bmse000544,1
6,covalent,SING,C43,C31,,,,,11306,bmse000544,1
7,covalent,SING,C43,C6,,,,,11306,bmse000544,1
8,covalent,SING,C39,C37,,,,,11306,bmse000544,1
9,covalent,SING,C39,C27,,,,,11306,bmse000544,1
10,covalent,SING,C39,H120,,,,,11306,bmse000544,1
11,covalent,SING,C37,C40,,,,,11306,bmse000544,1
12,covalent,SING,C37,C25,,,,,11306,bmse000544,1
13,covalent,SING,C37,H118,,,,,11306,bmse000544,1
14,covalent,SING,C40,C42,,,,,11306,bmse000544,1
15,covalent,SING,C40,C29,,,,,11306,bmse000544,1
16,covalent,SING,C40,H121,,,,,11306,bmse000544,1
17,covalent,SING,C38,C26,,,,,11306,bmse000544,1
18,covalent,SING,C38,C34,,,,,11306,bmse000544,1
19,covalent,SING,C38,H119,,,,,11306,bmse000544,1
20,covalent,SING,C31,C29,,,,,11306,bmse000544,1
21,covalent,SING,C31,H111,,,,,11306,bmse000544,1
22,covalent,SING,C31,H112,,,,,11306,bmse000544,1
23,covalent,SING,C42,C35,,,,,11306,bmse000544,1
24,covalent,SING,C42,C30,,,,,11306,bmse000544,1
25,covalent,SING,C42,C5,,,,,11306,bmse000544,1
26,covalent,SING,C27,C26,,,,,11306,bmse000544,1
27,covalent,SING,C27,H103,,,,,11306,bmse000544,1
28,covalent,SING,C27,H104,,,,,11306,bmse000544,1
29,covalent,SING,C29,H107,,,,,11306,bmse000544,1
30,covalent,SING,C29,H108,,,,,11306,bmse000544,1
31,covalent,SING,C26,H101,,,,,11306,bmse000544,1
32,covalent,SING,C26,H102,,,,,11306,bmse000544,1
33,covalent,SING,C25,C24,,,,,11306,bmse000544,1
34,covalent,SING,C25,H99,,,,,11306,bmse000544,1
35,covalent,SING,C25,H100,,,,,11306,bmse000544,1
36,covalent,SING,C34,C22,,,,,11306,bmse000544,1
37,covalent,SING,C34,C4,,,,,11306,bmse000544,1
38,covalent,SING,C34,H116,,,,,11306,bmse000544,1
39,covalent,SING,C6,H61,,,,,11306,bmse000544,1
40,covalent,SING,C6,H62,,,,,11306,bmse000544,1
41,covalent,SING,C6,H63,,,,,11306,bmse000544,1
42,covalent,DOUB,C35,C24,,,,,11306,bmse000544,1
43,covalent,SING,C35,C32,,,,,11306,bmse000544,1
44,covalent,SING,C30,C28,,,,,11306,bmse000544,1
45,covalent,SING,C30,H109,,,,,11306,bmse000544,1
46,covalent,SING,C30,H110,,,,,11306,bmse000544,1
47,covalent,SING,C24,H98,,,,,11306,bmse000544,1
48,covalent,SING,C5,H58,,,,,11306,bmse000544,1
49,covalent,SING,C5,H60,,,,,11306,bmse000544,1
50,covalent,SING,C5,H59,,,,,11306,bmse000544,1
51,covalent,SING,C32,C36,,,,,11306,bmse000544,1
52,covalent,SING,C32,H113,,,,,11306,bmse000544,1
53,covalent,SING,C32,H114,,,,,11306,bmse000544,1
54,covalent,SING,C28,C36,,,,,11306,bmse000544,1
55,covalent,SING,C28,H105,,,,,11306,bmse000544,1
56,covalent,SING,C28,H106,,,,,11306,bmse000544,1
57,covalent,SING,C22,C20,,,,,11306,bmse000544,1
58,covalent,SING,C22,H94,,,,,11306,bmse000544,1
59,covalent,SING,C22,H95,,,,,11306,bmse000544,1
60,covalent,SING,C36,H117,,,,,11306,bmse000544,1
61,covalent,SING,C4,H55,,,,,11306,bmse000544,1
62,covalent,SING,C4,H56,,,,,11306,bmse000544,1
63,covalent,SING,C4,H57,,,,,11306,bmse000544,1
64,covalent,SING,C20,C21,,,,,11306,bmse000544,1
65,covalent,SING,C20,H90,,,,,11306,bmse000544,1
66,covalent,SING,C20,H91,,,,,11306,bmse000544,1
67,covalent,SING,C21,C33,,,,,11306,bmse000544,1
68,covalent,SING,C21,H92,,,,,11306,bmse000544,1
69,covalent,SING,C21,H93,,,,,11306,bmse000544,1
70,covalent,SING,C33,C2,,,,,11306,bmse000544,1
71,covalent,SING,C33,C3,,,,,11306,bmse000544,1
72,covalent,SING,C33,H115,,,,,11306,bmse000544,1
73,covalent,SING,C41,C23,,,,,11306,bmse000544,1
74,covalent,SING,C23,C19,,,,,11306,bmse000544,1
75,covalent,SING,C23,H96,,,,,11306,bmse000544,1
76,covalent,SING,C23,H97,,,,,11306,bmse000544,1
77,covalent,SING,C2,H51,,,,,11306,bmse000544,1
78,covalent,SING,C2,H50,,,,,11306,bmse000544,1
79,covalent,SING,C2,H49,,,,,11306,bmse000544,1
80,covalent,SING,C3,H54,,,,,11306,bmse000544,1
81,covalent,SING,C3,H53,,,,,11306,bmse000544,1
82,covalent,SING,C3,H52,,,,,11306,bmse000544,1
83,covalent,SING,C19,C18,,,,,11306,bmse000544,1
84,covalent,SING,C19,H88,,,,,11306,bmse000544,1
85,covalent,SING,C19,H89,,,,,11306,bmse000544,1
86,covalent,SING,C18,C17,,,,,11306,bmse000544,1
87,covalent,SING,C18,H86,,,,,11306,bmse000544,1
88,covalent,SING,C18,H87,,,,,11306,bmse000544,1
89,covalent,SING,C17,C16,,,,,11306,bmse000544,1
90,covalent,SING,C17,H84,,,,,11306,bmse000544,1
91,covalent,SING,C17,H85,,,,,11306,bmse000544,1
92,covalent,SING,C16,C15,,,,,11306,bmse000544,1
93,covalent,SING,C16,H82,,,,,11306,bmse000544,1
94,covalent,SING,C16,H83,,,,,11306,bmse000544,1
95,covalent,SING,C15,C14,,,,,11306,bmse000544,1
96,covalent,SING,C15,H80,,,,,11306,bmse000544,1
97,covalent,SING,C15,H81,,,,,11306,bmse000544,1
98,covalent,SING,C14,C13,,,,,11306,bmse000544,1
99,covalent,SING,C14,H78,,,,,11306,bmse000544,1
100,covalent,SING,C14,H79,,,,,11306,bmse000544,1
101,covalent,SING,C13,C12,,,,,11306,bmse000544,1
102,covalent,SING,C13,H76,,,,,11306,bmse000544,1
103,covalent,SING,C13,H77,,,,,11306,bmse000544,1
104,covalent,SING,C12,C11,,,,,11306,bmse000544,1
105,covalent,SING,C12,H74,,,,,11306,bmse000544,1
106,covalent,SING,C12,H75,,,,,11306,bmse000544,1
107,covalent,SING,C11,C10,,,,,11306,bmse000544,1
108,covalent,SING,C11,H72,,,,,11306,bmse000544,1
109,covalent,SING,C11,H73,,,,,11306,bmse000544,1
110,covalent,SING,C10,C9,,,,,11306,bmse000544,1
111,covalent,SING,C10,H70,,,,,11306,bmse000544,1
112,covalent,SING,C10,H71,,,,,11306,bmse000544,1
113,covalent,SING,C9,C8,,,,,11306,bmse000544,1
114,covalent,SING,C9,H68,,,,,11306,bmse000544,1
115,covalent,SING,C9,H69,,,,,11306,bmse000544,1
116,covalent,SING,C8,C7,,,,,11306,bmse000544,1
117,covalent,SING,C8,H66,,,,,11306,bmse000544,1
118,covalent,SING,C8,H67,,,,,11306,bmse000544,1
119,covalent,SING,C7,C1,,,,,11306,bmse000544,1
120,covalent,SING,C7,H64,,,,,11306,bmse000544,1
121,covalent,SING,C7,H65,,,,,11306,bmse000544,1
122,covalent,SING,C1,H46,,,,,11306,bmse000544,1
123,covalent,SING,C1,H47,,,,,11306,bmse000544,1
124,covalent,SING,C1,H48,,,,,11306,bmse000544,1
1,covalent,SING,C1,C2,,,,,11329,bmse000545,1
2,covalent,SING,C1,C3,,,,,11329,bmse000545,1
3,covalent,SING,C1,H7,,,,,11329,bmse000545,1
4,covalent,SING,C1,H8,,,,,11329,bmse000545,1
5,covalent,SING,C2,C4,,,,,11329,bmse000545,1
6,covalent,SING,C2,H9,,,,,11329,bmse000545,1
7,covalent,SING,C2,H10,,,,,11329,bmse000545,1
8,covalent,SING,C3,C5,,,,,11329,bmse000545,1
9,covalent,SING,C3,H11,,,,,11329,bmse000545,1
10,covalent,SING,C3,H12,,,,,11329,bmse000545,1
11,covalent,SING,C4,C6,,,,,11329,bmse000545,1
12,covalent,SING,C4,H13,,,,,11329,bmse000545,1
13,covalent,SING,C4,H14,,,,,11329,bmse000545,1
14,covalent,SING,C5,C6,,,,,11329,bmse000545,1
15,covalent,SING,C5,H15,,,,,11329,bmse000545,1
16,covalent,SING,C5,H16,,,,,11329,bmse000545,1
17,covalent,SING,C6,H17,,,,,11329,bmse000545,1
18,covalent,SING,C6,H18,,,,,11329,bmse000545,1
1,covalent,SING,C1,H10,no,N,1,,11353,bmse000546,BMET000546
2,covalent,SING,C1,H11,no,N,2,,11353,bmse000546,BMET000546
3,covalent,SING,C2,C1,no,N,3,,11353,bmse000546,BMET000546
4,covalent,SING,C2,H12,no,N,4,,11353,bmse000546,BMET000546
5,covalent,SING,C2,H13,no,N,5,,11353,bmse000546,BMET000546
6,covalent,SING,C3,C1,no,N,6,,11353,bmse000546,BMET000546
7,covalent,SING,C3,H14,no,N,7,,11353,bmse000546,BMET000546
8,covalent,SING,C3,H15,no,N,8,,11353,bmse000546,BMET000546
9,covalent,SING,C4,C2,no,N,9,,11353,bmse000546,BMET000546
10,covalent,SING,C4,H16,no,N,10,,11353,bmse000546,BMET000546
11,covalent,SING,C4,H17,no,N,11,,11353,bmse000546,BMET000546
12,covalent,SING,C5,C3,no,N,12,,11353,bmse000546,BMET000546
13,covalent,SING,C5,H18,no,N,13,,11353,bmse000546,BMET000546
14,covalent,SING,C5,H19,no,N,14,,11353,bmse000546,BMET000546
15,covalent,SING,C6,C4,no,N,15,,11353,bmse000546,BMET000546
16,covalent,SING,C6,C5,no,N,16,,11353,bmse000546,BMET000546
17,covalent,SING,C6,C7,no,N,17,,11353,bmse000546,BMET000546
18,covalent,SING,C6,H20,no,N,18,,11353,bmse000546,BMET000546
19,ester,SING,O8,C7,no,N,19,,11353,bmse000546,BMET000546
20,covalent,SING,O8,H21,no,N,20,,11353,bmse000546,BMET000546
21,carbonyl,DOUB,O9,C7,no,N,21,,11353,bmse000546,BMET000546
1,covalent,SING,O29,C27,,,,,11374,bmse000547,1
2,covalent,SING,O29,C26,,,,,11374,bmse000547,1
3,covalent,SING,O28,C25,,,,,11374,bmse000547,1
4,covalent,SING,O28,H75,,,,,11374,bmse000547,1
5,covalent,SING,C27,C16,,,,,11374,bmse000547,1
6,covalent,SING,C27,C17,,,,,11374,bmse000547,1
7,covalent,SING,C27,C6,,,,,11374,bmse000547,1
8,covalent,SING,C16,C9,,,,,11374,bmse000547,1
9,covalent,SING,C16,H66,,,,,11374,bmse000547,1
10,covalent,SING,C16,H67,,,,,11374,bmse000547,1
11,covalent,SING,C22,C14,,,,,11374,bmse000547,1
12,covalent,SING,C22,C13,,,,,11374,bmse000547,1
13,covalent,SING,C22,C4,,,,,11374,bmse000547,1
14,covalent,SING,C22,H74,,,,,11374,bmse000547,1
15,covalent,SING,C9,C14,,,,,11374,bmse000547,1
16,covalent,SING,C9,H52,,,,,11374,bmse000547,1
17,covalent,SING,C9,H53,,,,,11374,bmse000547,1
18,covalent,SING,C17,C15,,,,,11374,bmse000547,1
19,covalent,SING,C17,H68,,,,,11374,bmse000547,1
20,covalent,SING,C17,H69,,,,,11374,bmse000547,1
21,covalent,SING,C14,H62,,,,,11374,bmse000547,1
22,covalent,SING,C14,H63,,,,,11374,bmse000547,1
23,covalent,SING,C13,C8,,,,,11374,bmse000547,1
24,covalent,SING,C13,H60,,,,,11374,bmse000547,1
25,covalent,SING,C13,H61,,,,,11374,bmse000547,1
26,covalent,SING,C8,C12,,,,,11374,bmse000547,1
27,covalent,SING,C8,H50,,,,,11374,bmse000547,1
28,covalent,SING,C8,H51,,,,,11374,bmse000547,1
29,covalent,SING,C15,C24,,,,,11374,bmse000547,1
30,covalent,SING,C15,H64,,,,,11374,bmse000547,1
31,covalent,SING,C15,H65,,,,,11374,bmse000547,1
32,covalent,SING,C21,C12,,,,,11374,bmse000547,1
33,covalent,SING,C21,C11,,,,,11374,bmse000547,1
34,covalent,SING,C21,C3,,,,,11374,bmse000547,1
35,covalent,SING,C21,H73,,,,,11374,bmse000547,1
36,covalent,SING,C12,H58,,,,,11374,bmse000547,1
37,covalent,SING,C12,H59,,,,,11374,bmse000547,1
38,covalent,SING,C6,H45,,,,,11374,bmse000547,1
39,covalent,SING,C6,H46,,,,,11374,bmse000547,1
40,covalent,SING,C6,H47,,,,,11374,bmse000547,1
41,covalent,SING,C24,C26,,,,,11374,bmse000547,1
42,covalent,DOUB,C24,C19,,,,,11374,bmse000547,1
43,covalent,DOUB,C26,C23,,,,,11374,bmse000547,1
44,covalent,SING,C11,C7,,,,,11374,bmse000547,1
45,covalent,SING,C11,H56,,,,,11374,bmse000547,1
46,covalent,SING,C11,H57,,,,,11374,bmse000547,1
47,covalent,SING,C4,H40,,,,,11374,bmse000547,1
48,covalent,SING,C4,H39,,,,,11374,bmse000547,1
49,covalent,SING,C4,H41,,,,,11374,bmse000547,1
50,covalent,SING,C7,C10,,,,,11374,bmse000547,1
51,covalent,SING,C7,H48,,,,,11374,bmse000547,1
52,covalent,SING,C7,H49,,,,,11374,bmse000547,1
53,covalent,SING,C3,H36,,,,,11374,bmse000547,1
54,covalent,SING,C3,H38,,,,,11374,bmse000547,1
55,covalent,SING,C3,H37,,,,,11374,bmse000547,1
56,covalent,SING,C10,C20,,,,,11374,bmse000547,1
57,covalent,SING,C10,H54,,,,,11374,bmse000547,1
58,covalent,SING,C10,H55,,,,,11374,bmse000547,1
59,covalent,SING,C23,C18,,,,,11374,bmse000547,1
60,covalent,SING,C23,C5,,,,,11374,bmse000547,1
61,covalent,SING,C19,C25,,,,,11374,bmse000547,1
62,covalent,SING,C19,H71,,,,,11374,bmse000547,1
63,covalent,SING,C20,C1,,,,,11374,bmse000547,1
64,covalent,SING,C20,C2,,,,,11374,bmse000547,1
65,covalent,SING,C20,H72,,,,,11374,bmse000547,1
66,covalent,DOUB,C18,C25,,,,,11374,bmse000547,1
67,covalent,SING,C18,H70,,,,,11374,bmse000547,1
68,covalent,SING,C5,H43,,,,,11374,bmse000547,1
69,covalent,SING,C5,H42,,,,,11374,bmse000547,1
70,covalent,SING,C5,H44,,,,,11374,bmse000547,1
71,covalent,SING,C1,H30,,,,,11374,bmse000547,1
72,covalent,SING,C1,H31,,,,,11374,bmse000547,1
73,covalent,SING,C1,H32,,,,,11374,bmse000547,1
74,covalent,SING,C2,H35,,,,,11374,bmse000547,1
75,covalent,SING,C2,H33,,,,,11374,bmse000547,1
76,covalent,SING,C2,H34,,,,,11374,bmse000547,1
1,covalent,SING,O13,C11,,,,,11396,bmse000548,1
2,covalent,SING,O13,C12,,,,,11396,bmse000548,1
3,covalent,SING,C9,C10,,,,,11396,bmse000548,1
4,covalent,SING,C9,C11,,,,,11396,bmse000548,1
5,covalent,DOUB,C9,C5,,,,,11396,bmse000548,1
6,covalent,SING,C10,C12,,,,,11396,bmse000548,1
7,covalent,DOUB,C10,C6,,,,,11396,bmse000548,1
8,covalent,DOUB,C11,C7,,,,,11396,bmse000548,1
9,covalent,DOUB,C12,C8,,,,,11396,bmse000548,1
10,covalent,SING,C5,C1,,,,,11396,bmse000548,1
11,covalent,SING,C5,H18,,,,,11396,bmse000548,1
12,covalent,SING,C6,C2,,,,,11396,bmse000548,1
13,covalent,SING,C6,H19,,,,,11396,bmse000548,1
14,covalent,SING,C7,C3,,,,,11396,bmse000548,1
15,covalent,SING,C7,H20,,,,,11396,bmse000548,1
16,covalent,SING,C8,C4,,,,,11396,bmse000548,1
17,covalent,SING,C8,H21,,,,,11396,bmse000548,1
18,covalent,DOUB,C1,C3,,,,,11396,bmse000548,1
19,covalent,SING,C1,H14,,,,,11396,bmse000548,1
20,covalent,DOUB,C2,C4,,,,,11396,bmse000548,1
21,covalent,SING,C2,H15,,,,,11396,bmse000548,1
22,covalent,SING,C3,H16,,,,,11396,bmse000548,1
23,covalent,SING,C4,H17,,,,,11396,bmse000548,1
1,covalent,DOUB,O20,C17,,,,,11418,bmse000549,1
2,covalent,SING,O19,C12,,,,,11418,bmse000549,1
3,covalent,SING,O19,H42,,,,,11418,bmse000549,1
4,covalent,SING,C16,C18,,,,,11418,bmse000549,1
5,covalent,SING,C16,C15,,,,,11418,bmse000549,1
6,covalent,SING,C16,C6,,,,,11418,bmse000549,1
7,covalent,SING,C16,H41,,,,,11418,bmse000549,1
8,covalent,SING,C18,C9,,,,,11418,bmse000549,1
9,covalent,SING,C18,C17,,,,,11418,bmse000549,1
10,covalent,SING,C18,C1,,,,,11418,bmse000549,1
11,covalent,SING,C15,C14,,,,,11418,bmse000549,1
12,covalent,SING,C15,C4,,,,,11418,bmse000549,1
13,covalent,SING,C15,H40,,,,,11418,bmse000549,1
14,covalent,SING,C14,C8,,,,,11418,bmse000549,1
15,covalent,SING,C14,C13,,,,,11418,bmse000549,1
16,covalent,SING,C14,H39,,,,,11418,bmse000549,1
17,covalent,SING,C9,C8,,,,,11418,bmse000549,1
18,covalent,SING,C9,H36,,,,,11418,bmse000549,1
19,covalent,SING,C9,H37,,,,,11418,bmse000549,1
20,covalent,SING,C6,C7,,,,,11418,bmse000549,1
21,covalent,SING,C6,H30,,,,,11418,bmse000549,1
22,covalent,SING,C6,H31,,,,,11418,bmse000549,1
23,covalent,SING,C8,H34,,,,,11418,bmse000549,1
24,covalent,SING,C8,H35,,,,,11418,bmse000549,1
25,covalent,SING,C4,C2,,,,,11418,bmse000549,1
26,covalent,SING,C4,H27,,,,,11418,bmse000549,1
27,covalent,SING,C4,H28,,,,,11418,bmse000549,1
28,covalent,SING,C17,C7,,,,,11418,bmse000549,1
29,covalent,SING,C7,H32,,,,,11418,bmse000549,1
30,covalent,SING,C7,H33,,,,,11418,bmse000549,1
31,covalent,SING,C1,H23,,,,,11418,bmse000549,1
32,covalent,SING,C1,H22,,,,,11418,bmse000549,1
33,covalent,SING,C1,H21,,,,,11418,bmse000549,1
34,covalent,DOUB,C13,C11,,,,,11418,bmse000549,1
35,covalent,SING,C13,C5,,,,,11418,bmse000549,1
36,covalent,SING,C2,C11,,,,,11418,bmse000549,1
37,covalent,SING,C2,H24,,,,,11418,bmse000549,1
38,covalent,SING,C2,H25,,,,,11418,bmse000549,1
39,covalent,SING,C11,C10,,,,,11418,bmse000549,1
40,covalent,DOUB,C5,C3,,,,,11418,bmse000549,1
41,covalent,SING,C5,H29,,,,,11418,bmse000549,1
42,covalent,DOUB,C10,C12,,,,,11418,bmse000549,1
43,covalent,SING,C10,H38,,,,,11418,bmse000549,1
44,covalent,SING,C3,C12,,,,,11418,bmse000549,1
45,covalent,SING,C3,H26,,,,,11418,bmse000549,1
1,covalent,SING,O11,C9,,,,,11440,bmse000550,1
2,covalent,SING,O11,C4,,,,,11440,bmse000550,1
3,covalent,DOUB,O10,C9,,,,,11440,bmse000550,1
4,covalent,SING,C6,C5,,,,,11440,bmse000550,1
5,covalent,SING,C6,C7,,,,,11440,bmse000550,1
6,covalent,SING,C6,H24,,,,,11440,bmse000550,1
7,covalent,SING,C6,H25,,,,,11440,bmse000550,1
8,covalent,SING,C5,C3,,,,,11440,bmse000550,1
9,covalent,SING,C5,H22,,,,,11440,bmse000550,1
10,covalent,SING,C5,H23,,,,,11440,bmse000550,1
11,covalent,SING,C7,C8,,,,,11440,bmse000550,1
12,covalent,SING,C7,H26,,,,,11440,bmse000550,1
13,covalent,SING,C7,H27,,,,,11440,bmse000550,1
14,covalent,SING,C3,C1,,,,,11440,bmse000550,1
15,covalent,SING,C3,H18,,,,,11440,bmse000550,1
16,covalent,SING,C3,H19,,,,,11440,bmse000550,1
17,covalent,SING,C8,C9,,,,,11440,bmse000550,1
18,covalent,SING,C8,H28,,,,,11440,bmse000550,1
19,covalent,SING,C8,H29,,,,,11440,bmse000550,1
20,covalent,SING,C1,H14,,,,,11440,bmse000550,1
21,covalent,SING,C1,H13,,,,,11440,bmse000550,1
22,covalent,SING,C1,H12,,,,,11440,bmse000550,1
23,covalent,SING,C4,C2,,,,,11440,bmse000550,1
24,covalent,SING,C4,H20,,,,,11440,bmse000550,1
25,covalent,SING,C4,H21,,,,,11440,bmse000550,1
26,covalent,SING,C2,H15,,,,,11440,bmse000550,1
27,covalent,SING,C2,H16,,,,,11440,bmse000550,1
28,covalent,SING,C2,H17,,,,,11440,bmse000550,1
1,covalent,DOUB,O14,C12,,,,,11461,bmse000551,1
2,covalent,SING,O16,C13,,,,,11461,bmse000551,1
3,covalent,SING,O16,C2,,,,,11461,bmse000551,1
4,covalent,DOUB,O15,C13,,,,,11461,bmse000551,1
5,covalent,SING,C10,C11,,,,,11461,bmse000551,1
6,covalent,SING,C10,C7,,,,,11461,bmse000551,1
7,covalent,SING,C10,C9,,,,,11461,bmse000551,1
8,covalent,SING,C10,H35,,,,,11461,bmse000551,1
9,covalent,SING,C11,C12,,,,,11461,bmse000551,1
10,covalent,SING,C11,C6,,,,,11461,bmse000551,1
11,covalent,SING,C11,H36,,,,,11461,bmse000551,1
12,covalent,SING,C7,C8,,,,,11461,bmse000551,1
13,covalent,SING,C7,H29,,,,,11461,bmse000551,1
14,covalent,SING,C7,H30,,,,,11461,bmse000551,1
15,covalent,SING,C8,C12,,,,,11461,bmse000551,1
16,covalent,SING,C8,H31,,,,,11461,bmse000551,1
17,covalent,SING,C8,H32,,,,,11461,bmse000551,1
18,covalent,SING,C9,C13,,,,,11461,bmse000551,1
19,covalent,SING,C9,H33,,,,,11461,bmse000551,1
20,covalent,SING,C9,H34,,,,,11461,bmse000551,1
21,covalent,SING,C6,C5,,,,,11461,bmse000551,1
22,covalent,SING,C6,H27,,,,,11461,bmse000551,1
23,covalent,SING,C6,H28,,,,,11461,bmse000551,1
24,covalent,DOUB,C5,C4,,,,,11461,bmse000551,1
25,covalent,SING,C5,H26,,,,,11461,bmse000551,1
26,covalent,SING,C4,C3,,,,,11461,bmse000551,1
27,covalent,SING,C4,H25,,,,,11461,bmse000551,1
28,covalent,SING,C3,C1,,,,,11461,bmse000551,1
29,covalent,SING,C3,H23,,,,,11461,bmse000551,1
30,covalent,SING,C3,H24,,,,,11461,bmse000551,1
31,covalent,SING,C2,H20,,,,,11461,bmse000551,1
32,covalent,SING,C2,H22,,,,,11461,bmse000551,1
33,covalent,SING,C2,H21,,,,,11461,bmse000551,1
34,covalent,SING,C1,H18,,,,,11461,bmse000551,1
35,covalent,SING,C1,H17,,,,,11461,bmse000551,1
36,covalent,SING,C1,H19,,,,,11461,bmse000551,1
1,covalent,DOUB,O9,C6,,,,,11483,bmse000552,1
2,covalent,DOUB,C7,C5,,,,,11483,bmse000552,1
3,covalent,SING,C7,C3,,,,,11483,bmse000552,1
4,covalent,SING,C7,C1,,,,,11483,bmse000552,1
5,covalent,SING,C5,C8,,,,,11483,bmse000552,1
6,covalent,SING,C5,H16,,,,,11483,bmse000552,1
7,covalent,DOUB,C8,C4,,,,,11483,bmse000552,1
8,covalent,SING,C8,C6,,,,,11483,bmse000552,1
9,covalent,DOUB,C3,C2,,,,,11483,bmse000552,1
10,covalent,SING,C3,H14,,,,,11483,bmse000552,1
11,covalent,SING,C4,C2,,,,,11483,bmse000552,1
12,covalent,SING,C4,H15,,,,,11483,bmse000552,1
13,covalent,SING,C2,H13,,,,,11483,bmse000552,1
14,covalent,SING,C1,H10,,,,,11483,bmse000552,1
15,covalent,SING,C1,H11,,,,,11483,bmse000552,1
16,covalent,SING,C1,H12,,,,,11483,bmse000552,1
17,covalent,SING,C6,H17,,,,,11483,bmse000552,1
1,covalent,SING,O9,C8,,,,,11506,bmse000553,1
2,covalent,SING,O9,H18,,,,,11506,bmse000553,1
3,covalent,DOUB,O10,C8,,,,,11506,bmse000553,1
4,covalent,SING,C6,C5,,,,,11506,bmse000553,1
5,covalent,DOUB,C6,C3,,,,,11506,bmse000553,1
6,covalent,SING,C6,C1,,,,,11506,bmse000553,1
7,covalent,DOUB,C7,C5,,,,,11506,bmse000553,1
8,covalent,SING,C7,C4,,,,,11506,bmse000553,1
9,covalent,SING,C7,C8,,,,,11506,bmse000553,1
10,covalent,SING,C5,H17,,,,,11506,bmse000553,1
11,covalent,SING,C3,C2,,,,,11506,bmse000553,1
12,covalent,SING,C3,H15,,,,,11506,bmse000553,1
13,covalent,DOUB,C4,C2,,,,,11506,bmse000553,1
14,covalent,SING,C4,H16,,,,,11506,bmse000553,1
15,covalent,SING,C2,H14,,,,,11506,bmse000553,1
16,covalent,SING,C1,H11,,,,,11506,bmse000553,1
17,covalent,SING,C1,H12,,,,,11506,bmse000553,1
18,covalent,SING,C1,H13,,,,,11506,bmse000553,1
1,covalent,DOUB,C7,C6,,,,,11529,bmse000554,1
2,covalent,SING,C7,C4,,,,,11529,bmse000554,1
3,covalent,SING,C7,C1,,,,,11529,bmse000554,1
4,covalent,SING,C8,C6,,,,,11529,bmse000554,1
5,covalent,DOUB,C8,C5,,,,,11529,bmse000554,1
6,covalent,SING,C8,C2,,,,,11529,bmse000554,1
7,covalent,SING,C6,H18,,,,,11529,bmse000554,1
8,covalent,DOUB,C4,C3,,,,,11529,bmse000554,1
9,covalent,SING,C4,H16,,,,,11529,bmse000554,1
10,covalent,SING,C5,C3,,,,,11529,bmse000554,1
11,covalent,SING,C5,H17,,,,,11529,bmse000554,1
12,covalent,SING,C3,H15,,,,,11529,bmse000554,1
13,covalent,SING,C1,H9,,,,,11529,bmse000554,1
14,covalent,SING,C1,H10,,,,,11529,bmse000554,1
15,covalent,SING,C1,H11,,,,,11529,bmse000554,1
16,covalent,SING,C2,H13,,,,,11529,bmse000554,1
17,covalent,SING,C2,H14,,,,,11529,bmse000554,1
18,covalent,SING,C2,H12,,,,,11529,bmse000554,1
1,covalent,SING,O11,C6,,,,,11551,bmse000555,1
2,covalent,SING,O11,H27,,,,,11551,bmse000555,1
3,covalent,SING,C10,C8,,,,,11551,bmse000555,1
4,covalent,SING,C10,C9,,,,,11551,bmse000555,1
5,covalent,SING,C10,C1,,,,,11551,bmse000555,1
6,covalent,SING,C10,C2,,,,,11551,bmse000555,1
7,covalent,SING,C8,C5,,,,,11551,bmse000555,1
8,covalent,SING,C8,C4,,,,,11551,bmse000555,1
9,covalent,SING,C8,H25,,,,,11551,bmse000555,1
10,covalent,SING,C9,C5,,,,,11551,bmse000555,1
11,covalent,SING,C9,C7,,,,,11551,bmse000555,1
12,covalent,SING,C9,H26,,,,,11551,bmse000555,1
13,covalent,SING,C5,H21,,,,,11551,bmse000555,1
14,covalent,SING,C5,H22,,,,,11551,bmse000555,1
15,covalent,SING,C4,C3,,,,,11551,bmse000555,1
16,covalent,SING,C4,H19,,,,,11551,bmse000555,1
17,covalent,SING,C4,H20,,,,,11551,bmse000555,1
18,covalent,DOUB,C7,C3,,,,,11551,bmse000555,1
19,covalent,SING,C7,C6,,,,,11551,bmse000555,1
20,covalent,SING,C1,H13,,,,,11551,bmse000555,1
21,covalent,SING,C1,H14,,,,,11551,bmse000555,1
22,covalent,SING,C1,H12,,,,,11551,bmse000555,1
23,covalent,SING,C2,H17,,,,,11551,bmse000555,1
24,covalent,SING,C2,H15,,,,,11551,bmse000555,1
25,covalent,SING,C2,H16,,,,,11551,bmse000555,1
26,covalent,SING,C3,H18,,,,,11551,bmse000555,1
27,covalent,SING,C6,H23,,,,,11551,bmse000555,1
28,covalent,SING,C6,H24,,,,,11551,bmse000555,1
1,covalent,DOUB,O9,C6,,,,,11573,bmse000556,1
2,covalent,SING,C7,C8,,,,,11573,bmse000556,1
3,covalent,DOUB,C7,C4,,,,,11573,bmse000556,1
4,covalent,SING,C7,C1,,,,,11573,bmse000556,1
5,covalent,DOUB,C8,C5,,,,,11573,bmse000556,1
6,covalent,SING,C8,C6,,,,,11573,bmse000556,1
7,covalent,SING,C4,C2,,,,,11573,bmse000556,1
8,covalent,SING,C4,H15,,,,,11573,bmse000556,1
9,covalent,SING,C5,C3,,,,,11573,bmse000556,1
10,covalent,SING,C5,H16,,,,,11573,bmse000556,1
11,covalent,SING,C1,H11,,,,,11573,bmse000556,1
12,covalent,SING,C1,H12,,,,,11573,bmse000556,1
13,covalent,SING,C1,H10,,,,,11573,bmse000556,1
14,covalent,DOUB,C2,C3,,,,,11573,bmse000556,1
15,covalent,SING,C2,H13,,,,,11573,bmse000556,1
16,covalent,SING,C3,H14,,,,,11573,bmse000556,1
17,covalent,SING,C6,H17,,,,,11573,bmse000556,1
1,covalent,SING,O9,C8,,,,,11596,bmse000557,1
2,covalent,SING,O9,H18,,,,,11596,bmse000557,1
3,covalent,DOUB,O10,C8,,,,,11596,bmse000557,1
4,covalent,SING,C6,C7,,,,,11596,bmse000557,1
5,covalent,DOUB,C6,C4,,,,,11596,bmse000557,1
6,covalent,SING,C6,C1,,,,,11596,bmse000557,1
7,covalent,DOUB,C7,C5,,,,,11596,bmse000557,1
8,covalent,SING,C7,C8,,,,,11596,bmse000557,1
9,covalent,SING,C4,C2,,,,,11596,bmse000557,1
10,covalent,SING,C4,H16,,,,,11596,bmse000557,1
11,covalent,SING,C5,C3,,,,,11596,bmse000557,1
12,covalent,SING,C5,H17,,,,,11596,bmse000557,1
13,covalent,SING,C1,H13,,,,,11596,bmse000557,1
14,covalent,SING,C1,H12,,,,,11596,bmse000557,1
15,covalent,SING,C1,H11,,,,,11596,bmse000557,1
16,covalent,DOUB,C2,C3,,,,,11596,bmse000557,1
17,covalent,SING,C2,H14,,,,,11596,bmse000557,1
18,covalent,SING,C3,H15,,,,,11596,bmse000557,1
1,covalent,SING,O16,C15,,,,,11619,bmse000558,1
2,covalent,SING,O16,H47,,,,,11619,bmse000558,1
3,covalent,DOUB,O17,C15,,,,,11619,bmse000558,1
4,covalent,SING,C8,C7,,,,,11619,bmse000558,1
5,covalent,SING,C8,C9,,,,,11619,bmse000558,1
6,covalent,SING,C8,H33,,,,,11619,bmse000558,1
7,covalent,SING,C8,H34,,,,,11619,bmse000558,1
8,covalent,SING,C7,C6,,,,,11619,bmse000558,1
9,covalent,SING,C7,H31,,,,,11619,bmse000558,1
10,covalent,SING,C7,H32,,,,,11619,bmse000558,1
11,covalent,SING,C9,C10,,,,,11619,bmse000558,1
12,covalent,SING,C9,H35,,,,,11619,bmse000558,1
13,covalent,SING,C9,H36,,,,,11619,bmse000558,1
14,covalent,SING,C6,C5,,,,,11619,bmse000558,1
15,covalent,SING,C6,H29,,,,,11619,bmse000558,1
16,covalent,SING,C6,H30,,,,,11619,bmse000558,1
17,covalent,SING,C10,C11,,,,,11619,bmse000558,1
18,covalent,SING,C10,H37,,,,,11619,bmse000558,1
19,covalent,SING,C10,H38,,,,,11619,bmse000558,1
20,covalent,SING,C5,C4,,,,,11619,bmse000558,1
21,covalent,SING,C5,H27,,,,,11619,bmse000558,1
22,covalent,SING,C5,H28,,,,,11619,bmse000558,1
23,covalent,SING,C11,C12,,,,,11619,bmse000558,1
24,covalent,SING,C11,H39,,,,,11619,bmse000558,1
25,covalent,SING,C11,H40,,,,,11619,bmse000558,1
26,covalent,SING,C4,C3,,,,,11619,bmse000558,1
27,covalent,SING,C4,H25,,,,,11619,bmse000558,1
28,covalent,SING,C4,H26,,,,,11619,bmse000558,1
29,covalent,SING,C12,C13,,,,,11619,bmse000558,1
30,covalent,SING,C12,H41,,,,,11619,bmse000558,1
31,covalent,SING,C12,H42,,,,,11619,bmse000558,1
32,covalent,SING,C3,C2,,,,,11619,bmse000558,1
33,covalent,SING,C3,H23,,,,,11619,bmse000558,1
34,covalent,SING,C3,H24,,,,,11619,bmse000558,1
35,covalent,SING,C13,C14,,,,,11619,bmse000558,1
36,covalent,SING,C13,H43,,,,,11619,bmse000558,1
37,covalent,SING,C13,H44,,,,,11619,bmse000558,1
38,covalent,SING,C2,C1,,,,,11619,bmse000558,1
39,covalent,SING,C2,H21,,,,,11619,bmse000558,1
40,covalent,SING,C2,H22,,,,,11619,bmse000558,1
41,covalent,SING,C14,C15,,,,,11619,bmse000558,1
42,covalent,SING,C14,H45,,,,,11619,bmse000558,1
43,covalent,SING,C14,H46,,,,,11619,bmse000558,1
44,covalent,SING,C1,H20,,,,,11619,bmse000558,1
45,covalent,SING,C1,H18,,,,,11619,bmse000558,1
46,covalent,SING,C1,H19,,,,,11619,bmse000558,1
1,covalent,SING,O11,C7,,,,,11640,bmse000559,1
2,covalent,SING,O11,H27,,,,,11640,bmse000559,1
3,covalent,SING,C10,C6,,,,,11640,bmse000559,1
4,covalent,SING,C10,C5,,,,,11640,bmse000559,1
5,covalent,SING,C10,C8,,,,,11640,bmse000559,1
6,covalent,SING,C10,H26,,,,,11640,bmse000559,1
7,covalent,SING,C6,C4,,,,,11640,bmse000559,1
8,covalent,SING,C6,H22,,,,,11640,bmse000559,1
9,covalent,SING,C6,H23,,,,,11640,bmse000559,1
10,covalent,SING,C5,C3,,,,,11640,bmse000559,1
11,covalent,SING,C5,H20,,,,,11640,bmse000559,1
12,covalent,SING,C5,H21,,,,,11640,bmse000559,1
13,covalent,SING,C4,C9,,,,,11640,bmse000559,1
14,covalent,SING,C4,H18,,,,,11640,bmse000559,1
15,covalent,SING,C4,H19,,,,,11640,bmse000559,1
16,covalent,DOUB,C9,C3,,,,,11640,bmse000559,1
17,covalent,SING,C9,C7,,,,,11640,bmse000559,1
18,covalent,SING,C3,H17,,,,,11640,bmse000559,1
19,covalent,SING,C8,C2,,,,,11640,bmse000559,1
20,covalent,DOUB,C8,C1,,,,,11640,bmse000559,1
21,covalent,SING,C7,H24,,,,,11640,bmse000559,1
22,covalent,SING,C7,H25,,,,,11640,bmse000559,1
23,covalent,SING,C2,H14,,,,,11640,bmse000559,1
24,covalent,SING,C2,H16,,,,,11640,bmse000559,1
25,covalent,SING,C2,H15,,,,,11640,bmse000559,1
26,covalent,SING,C1,H12,,,,,11640,bmse000559,1
27,covalent,SING,C1,H13,,,,,11640,bmse000559,1
1,covalent,SING,C13,C14,,,,,11662,bmse000560,1
2,covalent,SING,C13,C11,,,,,11662,bmse000560,1
3,covalent,DOUB,C13,C7,,,,,11662,bmse000560,1
4,covalent,SING,C14,C12,,,,,11662,bmse000560,1
5,covalent,DOUB,C14,C8,,,,,11662,bmse000560,1
6,covalent,SING,C11,C9,,,,,11662,bmse000560,1
7,covalent,DOUB,C11,C5,,,,,11662,bmse000560,1
8,covalent,SING,C12,C10,,,,,11662,bmse000560,1
9,covalent,DOUB,C12,C6,,,,,11662,bmse000560,1
10,covalent,DOUB,C9,C10,,,,,11662,bmse000560,1
11,covalent,SING,C9,H23,,,,,11662,bmse000560,1
12,covalent,SING,C10,H24,,,,,11662,bmse000560,1
13,covalent,SING,C7,C3,,,,,11662,bmse000560,1
14,covalent,SING,C7,H21,,,,,11662,bmse000560,1
15,covalent,SING,C8,C4,,,,,11662,bmse000560,1
16,covalent,SING,C8,H22,,,,,11662,bmse000560,1
17,covalent,SING,C5,C1,,,,,11662,bmse000560,1
18,covalent,SING,C5,H19,,,,,11662,bmse000560,1
19,covalent,SING,C6,C2,,,,,11662,bmse000560,1
20,covalent,SING,C6,H20,,,,,11662,bmse000560,1
21,covalent,DOUB,C3,C1,,,,,11662,bmse000560,1
22,covalent,SING,C3,H17,,,,,11662,bmse000560,1
23,covalent,DOUB,C4,C2,,,,,11662,bmse000560,1
24,covalent,SING,C4,H18,,,,,11662,bmse000560,1
25,covalent,SING,C1,H15,,,,,11662,bmse000560,1
26,covalent,SING,C2,H16,,,,,11662,bmse000560,1
1,covalent,SING,C9,O11,,,,,11684,bmse000561,1
2,covalent,SING,O11,H27,,,,,11684,bmse000561,1
3,covalent,SING,C10,C7,,,,,11684,bmse000561,1
4,covalent,SING,C10,C8,,,,,11684,bmse000561,1
5,covalent,SING,C10,C2,,,,,11684,bmse000561,1
6,covalent,SING,C10,C3,,,,,11684,bmse000561,1
7,covalent,SING,C7,C4,,,,,11684,bmse000561,1
8,covalent,SING,C7,C5,,,,,11684,bmse000561,1
9,covalent,SING,C7,H24,,,,,11684,bmse000561,1
10,covalent,SING,C8,C4,,,,,11684,bmse000561,1
11,covalent,SING,C8,C6,,,,,11684,bmse000561,1
12,covalent,SING,C8,H25,,,,,11684,bmse000561,1
13,covalent,SING,C4,H20,,,,,11684,bmse000561,1
14,covalent,SING,C4,H21,,,,,11684,bmse000561,1
15,covalent,SING,C5,C9,,,,,11684,bmse000561,1
16,covalent,SING,C5,H22,,,,,11684,bmse000561,1
17,covalent,SING,C5,H23,,,,,11684,bmse000561,1
18,covalent,SING,C6,C9,,,,,11684,bmse000561,1
19,covalent,DOUB,C6,C1,,,,,11684,bmse000561,1
20,covalent,SING,C9,H26,,,,,11684,bmse000561,1
21,covalent,SING,C2,H14,,,,,11684,bmse000561,1
22,covalent,SING,C2,H16,,,,,11684,bmse000561,1
23,covalent,SING,C2,H15,,,,,11684,bmse000561,1
24,covalent,SING,C3,H19,,,,,11684,bmse000561,1
25,covalent,SING,C3,H17,,,,,11684,bmse000561,1
26,covalent,SING,C3,H18,,,,,11684,bmse000561,1
27,covalent,SING,C1,H12,,,,,11684,bmse000561,1
28,covalent,SING,C1,H13,,,,,11684,bmse000561,1
1,covalent,SING,O21,C19,,,,,11706,bmse000562,1
2,covalent,SING,O21,H50,,,,,11706,bmse000562,1
3,covalent,DOUB,O22,C19,,,,,11706,bmse000562,1
4,covalent,SING,C20,C13,,,,,11706,bmse000562,1
5,covalent,SING,C20,C18,,,,,11706,bmse000562,1
6,covalent,SING,C20,C4,,,,,11706,bmse000562,1
7,covalent,SING,C20,C5,,,,,11706,bmse000562,1
8,covalent,SING,C13,C7,,,,,11706,bmse000562,1
9,covalent,SING,C13,H47,,,,,11706,bmse000562,1
10,covalent,SING,C13,H48,,,,,11706,bmse000562,1
11,covalent,SING,C7,C10,,,,,11706,bmse000562,1
12,covalent,SING,C7,H39,,,,,11706,bmse000562,1
13,covalent,SING,C7,H40,,,,,11706,bmse000562,1
14,covalent,DOUB,C18,C17,,,,,11706,bmse000562,1
15,covalent,SING,C18,C12,,,,,11706,bmse000562,1
16,covalent,SING,C10,C17,,,,,11706,bmse000562,1
17,covalent,SING,C10,H43,,,,,11706,bmse000562,1
18,covalent,SING,C10,H44,,,,,11706,bmse000562,1
19,covalent,SING,C17,C3,,,,,11706,bmse000562,1
20,covalent,SING,C4,H33,,,,,11706,bmse000562,1
21,covalent,SING,C4,H32,,,,,11706,bmse000562,1
22,covalent,SING,C4,H34,,,,,11706,bmse000562,1
23,covalent,SING,C5,H37,,,,,11706,bmse000562,1
24,covalent,SING,C5,H35,,,,,11706,bmse000562,1
25,covalent,SING,C5,H36,,,,,11706,bmse000562,1
26,covalent,DOUB,C12,C11,,,,,11706,bmse000562,1
27,covalent,SING,C12,H46,,,,,11706,bmse000562,1
28,covalent,SING,C3,H30,,,,,11706,bmse000562,1
29,covalent,SING,C3,H29,,,,,11706,bmse000562,1
30,covalent,SING,C3,H31,,,,,11706,bmse000562,1
31,covalent,SING,C11,C15,,,,,11706,bmse000562,1
32,covalent,SING,C11,H45,,,,,11706,bmse000562,1
33,covalent,SING,C15,C1,,,,,11706,bmse000562,1
34,covalent,DOUB,C15,C8,,,,,11706,bmse000562,1
35,covalent,SING,C1,H25,,,,,11706,bmse000562,1
36,covalent,SING,C1,H24,,,,,11706,bmse000562,1
37,covalent,SING,C1,H23,,,,,11706,bmse000562,1
38,covalent,SING,C8,C6,,,,,11706,bmse000562,1
39,covalent,SING,C8,H41,,,,,11706,bmse000562,1
40,covalent,DOUB,C6,C9,,,,,11706,bmse000562,1
41,covalent,SING,C6,H38,,,,,11706,bmse000562,1
42,covalent,SING,C9,C16,,,,,11706,bmse000562,1
43,covalent,SING,C9,H42,,,,,11706,bmse000562,1
44,covalent,SING,C16,C2,,,,,11706,bmse000562,1
45,covalent,DOUB,C16,C14,,,,,11706,bmse000562,1
46,covalent,SING,C2,H28,,,,,11706,bmse000562,1
47,covalent,SING,C2,H26,,,,,11706,bmse000562,1
48,covalent,SING,C2,H27,,,,,11706,bmse000562,1
49,covalent,SING,C14,C19,,,,,11706,bmse000562,1
50,covalent,SING,C14,H49,,,,,11706,bmse000562,1
1,covalent,SING,O12,C11,,,,,11728,bmse000563,1
2,covalent,SING,O12,H35,,,,,11728,bmse000563,1
3,covalent,DOUB,O13,C11,,,,,11728,bmse000563,1
4,covalent,SING,C6,C5,,,,,11728,bmse000563,1
5,covalent,SING,C6,C7,,,,,11728,bmse000563,1
6,covalent,SING,C6,H25,,,,,11728,bmse000563,1
7,covalent,SING,C6,H26,,,,,11728,bmse000563,1
8,covalent,SING,C5,C4,,,,,11728,bmse000563,1
9,covalent,SING,C5,H23,,,,,11728,bmse000563,1
10,covalent,SING,C5,H24,,,,,11728,bmse000563,1
11,covalent,SING,C7,C8,,,,,11728,bmse000563,1
12,covalent,SING,C7,H27,,,,,11728,bmse000563,1
13,covalent,SING,C7,H28,,,,,11728,bmse000563,1
14,covalent,SING,C4,C3,,,,,11728,bmse000563,1
15,covalent,SING,C4,H21,,,,,11728,bmse000563,1
16,covalent,SING,C4,H22,,,,,11728,bmse000563,1
17,covalent,SING,C8,C9,,,,,11728,bmse000563,1
18,covalent,SING,C8,H29,,,,,11728,bmse000563,1
19,covalent,SING,C8,H30,,,,,11728,bmse000563,1
20,covalent,SING,C3,C2,,,,,11728,bmse000563,1
21,covalent,SING,C3,H19,,,,,11728,bmse000563,1
22,covalent,SING,C3,H20,,,,,11728,bmse000563,1
23,covalent,SING,C9,C10,,,,,11728,bmse000563,1
24,covalent,SING,C9,H31,,,,,11728,bmse000563,1
25,covalent,SING,C9,H32,,,,,11728,bmse000563,1
26,covalent,SING,C2,C1,,,,,11728,bmse000563,1
27,covalent,SING,C2,H17,,,,,11728,bmse000563,1
28,covalent,SING,C2,H18,,,,,11728,bmse000563,1
29,covalent,SING,C10,C11,,,,,11728,bmse000563,1
30,covalent,SING,C10,H33,,,,,11728,bmse000563,1
31,covalent,SING,C10,H34,,,,,11728,bmse000563,1
32,covalent,SING,C1,H16,,,,,11728,bmse000563,1
33,covalent,SING,C1,H14,,,,,11728,bmse000563,1
34,covalent,SING,C1,H15,,,,,11728,bmse000563,1
1,covalent,SING,O14,C13,,,,,11749,bmse000564,1
2,covalent,SING,O14,H24,,,,,11749,bmse000564,1
3,covalent,SING,C13,C11,,,,,11749,bmse000564,1
4,covalent,SING,C13,C12,,,,,11749,bmse000564,1
5,covalent,SING,C13,H23,,,,,11749,bmse000564,1
6,covalent,SING,C11,C9,,,,,11749,bmse000564,1
7,covalent,DOUB,C11,C7,,,,,11749,bmse000564,1
8,covalent,SING,C12,C10,,,,,11749,bmse000564,1
9,covalent,DOUB,C12,C8,,,,,11749,bmse000564,1
10,covalent,SING,C9,C10,,,,,11749,bmse000564,1
11,covalent,DOUB,C9,C5,,,,,11749,bmse000564,1
12,covalent,DOUB,C10,C6,,,,,11749,bmse000564,1
13,covalent,SING,C7,C3,,,,,11749,bmse000564,1
14,covalent,SING,C7,H21,,,,,11749,bmse000564,1
15,covalent,SING,C8,C4,,,,,11749,bmse000564,1
16,covalent,SING,C8,H22,,,,,11749,bmse000564,1
17,covalent,SING,C5,C1,,,,,11749,bmse000564,1
18,covalent,SING,C5,H19,,,,,11749,bmse000564,1
19,covalent,SING,C6,C2,,,,,11749,bmse000564,1
20,covalent,SING,C6,H20,,,,,11749,bmse000564,1
21,covalent,DOUB,C3,C1,,,,,11749,bmse000564,1
22,covalent,SING,C3,H17,,,,,11749,bmse000564,1
23,covalent,DOUB,C4,C2,,,,,11749,bmse000564,1
24,covalent,SING,C4,H18,,,,,11749,bmse000564,1
25,covalent,SING,C1,H15,,,,,11749,bmse000564,1
26,covalent,SING,C2,H16,,,,,11749,bmse000564,1
1,covalent,SING,O13,C12,,,,,11771,bmse000565,1
2,covalent,SING,O13,H36,,,,,11771,bmse000565,1
3,covalent,DOUB,O14,C12,,,,,11771,bmse000565,1
4,covalent,SING,C4,C5,,,,,11771,bmse000565,1
5,covalent,SING,C4,C3,,,,,11771,bmse000565,1
6,covalent,SING,C4,H22,,,,,11771,bmse000565,1
7,covalent,SING,C4,H23,,,,,11771,bmse000565,1
8,covalent,SING,C5,C6,,,,,11771,bmse000565,1
9,covalent,SING,C5,H24,,,,,11771,bmse000565,1
10,covalent,SING,C5,H25,,,,,11771,bmse000565,1
11,covalent,SING,C3,C2,,,,,11771,bmse000565,1
12,covalent,SING,C3,H20,,,,,11771,bmse000565,1
13,covalent,SING,C3,H21,,,,,11771,bmse000565,1
14,covalent,SING,C6,C7,,,,,11771,bmse000565,1
15,covalent,SING,C6,H26,,,,,11771,bmse000565,1
16,covalent,SING,C6,H27,,,,,11771,bmse000565,1
17,covalent,SING,C2,C1,,,,,11771,bmse000565,1
18,covalent,SING,C2,H18,,,,,11771,bmse000565,1
19,covalent,SING,C2,H19,,,,,11771,bmse000565,1
20,covalent,DOUB,C7,C8,,,,,11771,bmse000565,1
21,covalent,SING,C7,H28,,,,,11771,bmse000565,1
22,covalent,SING,C9,C10,,,,,11771,bmse000565,1
23,covalent,SING,C9,C8,,,,,11771,bmse000565,1
24,covalent,SING,C9,H30,,,,,11771,bmse000565,1
25,covalent,SING,C9,H31,,,,,11771,bmse000565,1
26,covalent,SING,C10,C11,,,,,11771,bmse000565,1
27,covalent,SING,C10,H32,,,,,11771,bmse000565,1
28,covalent,SING,C10,H33,,,,,11771,bmse000565,1
29,covalent,SING,C8,H29,,,,,11771,bmse000565,1
30,covalent,SING,C1,H17,,,,,11771,bmse000565,1
31,covalent,SING,C1,H16,,,,,11771,bmse000565,1
32,covalent,SING,C1,H15,,,,,11771,bmse000565,1
33,covalent,SING,C11,C12,,,,,11771,bmse000565,1
34,covalent,SING,C11,H34,,,,,11771,bmse000565,1
35,covalent,SING,C11,H35,,,,,11771,bmse000565,1
1,covalent,SING,O39,C30,,,,,11793,bmse000566,1
2,covalent,SING,O39,C33,,,,,11793,bmse000566,1
3,covalent,SING,O37,C28,,,,,11793,bmse000566,1
4,covalent,SING,O37,C31,,,,,11793,bmse000566,1
5,covalent,SING,O38,C29,,,,,11793,bmse000566,1
6,covalent,SING,O38,C32,,,,,11793,bmse000566,1
7,covalent,DOUB,O36,C33,,,,,11793,bmse000566,1
8,covalent,DOUB,O34,C31,,,,,11793,bmse000566,1
9,covalent,DOUB,O35,C32,,,,,11793,bmse000566,1
10,covalent,SING,C18,C15,,,,,11793,bmse000566,1
11,covalent,SING,C18,C21,,,,,11793,bmse000566,1
12,covalent,SING,C18,H77,,,,,11793,bmse000566,1
13,covalent,SING,C18,H78,,,,,11793,bmse000566,1
14,covalent,SING,C15,C12,,,,,11793,bmse000566,1
15,covalent,SING,C15,H71,,,,,11793,bmse000566,1
16,covalent,SING,C15,H72,,,,,11793,bmse000566,1
17,covalent,SING,C16,C13,,,,,11793,bmse000566,1
18,covalent,SING,C16,C19,,,,,11793,bmse000566,1
19,covalent,SING,C16,H73,,,,,11793,bmse000566,1
20,covalent,SING,C16,H74,,,,,11793,bmse000566,1
21,covalent,SING,C17,C14,,,,,11793,bmse000566,1
22,covalent,SING,C17,C20,,,,,11793,bmse000566,1
23,covalent,SING,C17,H75,,,,,11793,bmse000566,1
24,covalent,SING,C17,H76,,,,,11793,bmse000566,1
25,covalent,SING,C13,C10,,,,,11793,bmse000566,1
26,covalent,SING,C13,H67,,,,,11793,bmse000566,1
27,covalent,SING,C13,H68,,,,,11793,bmse000566,1
28,covalent,SING,C14,C11,,,,,11793,bmse000566,1
29,covalent,SING,C14,H69,,,,,11793,bmse000566,1
30,covalent,SING,C14,H70,,,,,11793,bmse000566,1
31,covalent,SING,C21,C24,,,,,11793,bmse000566,1
32,covalent,SING,C21,H83,,,,,11793,bmse000566,1
33,covalent,SING,C21,H84,,,,,11793,bmse000566,1
34,covalent,SING,C12,C9,,,,,11793,bmse000566,1
35,covalent,SING,C12,H65,,,,,11793,bmse000566,1
36,covalent,SING,C12,H66,,,,,11793,bmse000566,1
37,covalent,SING,C19,C22,,,,,11793,bmse000566,1
38,covalent,SING,C19,H79,,,,,11793,bmse000566,1
39,covalent,SING,C19,H80,,,,,11793,bmse000566,1
40,covalent,SING,C20,C23,,,,,11793,bmse000566,1
41,covalent,SING,C20,H81,,,,,11793,bmse000566,1
42,covalent,SING,C20,H82,,,,,11793,bmse000566,1
43,covalent,SING,C10,C7,,,,,11793,bmse000566,1
44,covalent,SING,C10,H61,,,,,11793,bmse000566,1
45,covalent,SING,C10,H62,,,,,11793,bmse000566,1
46,covalent,SING,C11,C8,,,,,11793,bmse000566,1
47,covalent,SING,C11,H63,,,,,11793,bmse000566,1
48,covalent,SING,C11,H64,,,,,11793,bmse000566,1
49,covalent,SING,C24,C27,,,,,11793,bmse000566,1
50,covalent,SING,C24,H89,,,,,11793,bmse000566,1
51,covalent,SING,C24,H90,,,,,11793,bmse000566,1
52,covalent,SING,C22,C25,,,,,11793,bmse000566,1
53,covalent,SING,C22,H85,,,,,11793,bmse000566,1
54,covalent,SING,C22,H86,,,,,11793,bmse000566,1
55,covalent,SING,C23,C26,,,,,11793,bmse000566,1
56,covalent,SING,C23,H87,,,,,11793,bmse000566,1
57,covalent,SING,C23,H88,,,,,11793,bmse000566,1
58,covalent,SING,C9,C6,,,,,11793,bmse000566,1
59,covalent,SING,C9,H59,,,,,11793,bmse000566,1
60,covalent,SING,C9,H60,,,,,11793,bmse000566,1
61,covalent,SING,C7,C4,,,,,11793,bmse000566,1
62,covalent,SING,C7,H55,,,,,11793,bmse000566,1
63,covalent,SING,C7,H56,,,,,11793,bmse000566,1
64,covalent,SING,C8,C5,,,,,11793,bmse000566,1
65,covalent,SING,C8,H57,,,,,11793,bmse000566,1
66,covalent,SING,C8,H58,,,,,11793,bmse000566,1
67,covalent,SING,C27,C33,,,,,11793,bmse000566,1
68,covalent,SING,C27,H95,,,,,11793,bmse000566,1
69,covalent,SING,C27,H96,,,,,11793,bmse000566,1
70,covalent,SING,C25,C31,,,,,11793,bmse000566,1
71,covalent,SING,C25,H91,,,,,11793,bmse000566,1
72,covalent,SING,C25,H92,,,,,11793,bmse000566,1
73,covalent,SING,C26,C32,,,,,11793,bmse000566,1
74,covalent,SING,C26,H93,,,,,11793,bmse000566,1
75,covalent,SING,C26,H94,,,,,11793,bmse000566,1
76,covalent,SING,C6,C3,,,,,11793,bmse000566,1
77,covalent,SING,C6,H53,,,,,11793,bmse000566,1
78,covalent,SING,C6,H54,,,,,11793,bmse000566,1
79,covalent,SING,C4,C1,,,,,11793,bmse000566,1
80,covalent,SING,C4,H49,,,,,11793,bmse000566,1
81,covalent,SING,C4,H50,,,,,11793,bmse000566,1
82,covalent,SING,C5,C2,,,,,11793,bmse000566,1
83,covalent,SING,C5,H51,,,,,11793,bmse000566,1
84,covalent,SING,C5,H52,,,,,11793,bmse000566,1
85,covalent,SING,C30,C28,,,,,11793,bmse000566,1
86,covalent,SING,C30,C29,,,,,11793,bmse000566,1
87,covalent,SING,C30,H101,,,,,11793,bmse000566,1
88,covalent,SING,C28,H97,,,,,11793,bmse000566,1
89,covalent,SING,C28,H98,,,,,11793,bmse000566,1
90,covalent,SING,C29,H99,,,,,11793,bmse000566,1
91,covalent,SING,C29,H100,,,,,11793,bmse000566,1
92,covalent,SING,C3,H46,,,,,11793,bmse000566,1
93,covalent,SING,C3,H47,,,,,11793,bmse000566,1
94,covalent,SING,C3,H48,,,,,11793,bmse000566,1
95,covalent,SING,C1,H42,,,,,11793,bmse000566,1
96,covalent,SING,C1,H40,,,,,11793,bmse000566,1
97,covalent,SING,C1,H41,,,,,11793,bmse000566,1
98,covalent,SING,C2,H44,,,,,11793,bmse000566,1
99,covalent,SING,C2,H43,,,,,11793,bmse000566,1
100,covalent,SING,C2,H45,,,,,11793,bmse000566,1
1,covalent,SING,Br17,C10,,,,,11815,bmse000567,1
2,covalent,SING,Br19,C12,,,,,11815,bmse000567,1
3,covalent,SING,Br16,C9,,,,,11815,bmse000567,1
4,covalent,SING,Br18,C11,,,,,11815,bmse000567,1
5,covalent,SING,O20,C13,,,,,11815,bmse000567,1
6,covalent,SING,O20,H32,,,,,11815,bmse000567,1
7,covalent,SING,O21,C14,,,,,11815,bmse000567,1
8,covalent,SING,O21,H33,,,,,11815,bmse000567,1
9,covalent,SING,C15,C7,,,,,11815,bmse000567,1
10,covalent,SING,C15,C8,,,,,11815,bmse000567,1
11,covalent,SING,C15,C1,,,,,11815,bmse000567,1
12,covalent,SING,C15,C2,,,,,11815,bmse000567,1
13,covalent,DOUB,C7,C3,,,,,11815,bmse000567,1
14,covalent,SING,C7,C4,,,,,11815,bmse000567,1
15,covalent,DOUB,C8,C5,,,,,11815,bmse000567,1
16,covalent,SING,C8,C6,,,,,11815,bmse000567,1
17,covalent,SING,C1,H22,,,,,11815,bmse000567,1
18,covalent,SING,C1,H24,,,,,11815,bmse000567,1
19,covalent,SING,C1,H23,,,,,11815,bmse000567,1
20,covalent,SING,C2,H26,,,,,11815,bmse000567,1
21,covalent,SING,C2,H27,,,,,11815,bmse000567,1
22,covalent,SING,C2,H25,,,,,11815,bmse000567,1
23,covalent,SING,C3,C9,,,,,11815,bmse000567,1
24,covalent,SING,C3,H28,,,,,11815,bmse000567,1
25,covalent,SING,C5,C11,,,,,11815,bmse000567,1
26,covalent,SING,C5,H30,,,,,11815,bmse000567,1
27,covalent,DOUB,C4,C10,,,,,11815,bmse000567,1
28,covalent,SING,C4,H29,,,,,11815,bmse000567,1
29,covalent,DOUB,C6,C12,,,,,11815,bmse000567,1
30,covalent,SING,C6,H31,,,,,11815,bmse000567,1
31,covalent,SING,C10,C13,,,,,11815,bmse000567,1
32,covalent,SING,C12,C14,,,,,11815,bmse000567,1
33,covalent,DOUB,C9,C13,,,,,11815,bmse000567,1
34,covalent,DOUB,C11,C14,,,,,11815,bmse000567,1
1,covalent,SING,Cl3,C1,,,,,11838,bmse000568,1
2,covalent,SING,Cl4,C2,,,,,11838,bmse000568,1
3,covalent,SING,C1,C2,,,,,11838,bmse000568,1
4,covalent,SING,C1,H5,,,,,11838,bmse000568,1
5,covalent,SING,C1,H6,,,,,11838,bmse000568,1
6,covalent,SING,C2,H7,,,,,11838,bmse000568,1
7,covalent,SING,C2,H8,,,,,11838,bmse000568,1
1,covalent,SING,O11,C2,,,,,11859,bmse000569,1
2,covalent,SING,O11,C6,,,,,11859,bmse000569,1
3,covalent,SING,O10,C6,,,,,11859,bmse000569,1
4,covalent,SING,O10,C1,,,,,11859,bmse000569,1
5,covalent,SING,C3,O7,,,,,11859,bmse000569,1
6,covalent,SING,O7,H19,,,,,11859,bmse000569,1
7,covalent,SING,C4,O8,,,,,11859,bmse000569,1
8,covalent,SING,O8,H20,,,,,11859,bmse000569,1
9,covalent,SING,C5,O9,,,,,11859,bmse000569,1
10,covalent,SING,O9,H21,,,,,11859,bmse000569,1
11,covalent,SING,C2,C3,,,,,11859,bmse000569,1
12,covalent,SING,C2,C1,,,,,11859,bmse000569,1
13,covalent,SING,C2,H14,,,,,11859,bmse000569,1
14,covalent,SING,C3,C4,,,,,11859,bmse000569,1
15,covalent,SING,C3,H15,,,,,11859,bmse000569,1
16,covalent,SING,C4,C5,,,,,11859,bmse000569,1
17,covalent,SING,C4,H16,,,,,11859,bmse000569,1
18,covalent,SING,C5,C6,,,,,11859,bmse000569,1
19,covalent,SING,C5,H17,,,,,11859,bmse000569,1
20,covalent,SING,C6,H18,,,,,11859,bmse000569,1
21,covalent,SING,C1,H12,,,,,11859,bmse000569,1
22,covalent,SING,C1,H13,,,,,11859,bmse000569,1
1,covalent,SING,C4,O6,,,,,11880,bmse000570,1
2,covalent,SING,O6,H17,,,,,11880,bmse000570,1
3,covalent,SING,O7,C5,,,,,11880,bmse000570,1
4,covalent,SING,O7,H18,,,,,11880,bmse000570,1
5,covalent,DOUB,O8,C5,,,,,11880,bmse000570,1
6,covalent,SING,C3,C4,,,,,11880,bmse000570,1
7,covalent,SING,C3,C1,,,,,11880,bmse000570,1
8,covalent,SING,C3,C2,,,,,11880,bmse000570,1
9,covalent,SING,C3,H15,,,,,11880,bmse000570,1
10,covalent,SING,C4,C5,,,,,11880,bmse000570,1
11,covalent,SING,C4,H16,,,,,11880,bmse000570,1
12,covalent,SING,C1,H11,,,,,11880,bmse000570,1
13,covalent,SING,C1,H9,,,,,11880,bmse000570,1
14,covalent,SING,C1,H10,,,,,11880,bmse000570,1
15,covalent,SING,C2,H12,,,,,11880,bmse000570,1
16,covalent,SING,C2,H13,,,,,11880,bmse000570,1
17,covalent,SING,C2,H14,,,,,11880,bmse000570,1
1,covalent,SING,O7,C5,,,,,11901,bmse000571,1
2,covalent,SING,O7,H20,,,,,11901,bmse000571,1
3,covalent,SING,O8,C6,,,,,11901,bmse000571,1
4,covalent,SING,O8,H21,,,,,11901,bmse000571,1
5,covalent,DOUB,O9,C6,,,,,11901,bmse000571,1
6,covalent,SING,C3,C4,,,,,11901,bmse000571,1
7,covalent,SING,C3,C2,,,,,11901,bmse000571,1
8,covalent,SING,C3,H15,,,,,11901,bmse000571,1
9,covalent,SING,C3,H16,,,,,11901,bmse000571,1
10,covalent,SING,C4,C5,,,,,11901,bmse000571,1
11,covalent,SING,C4,H17,,,,,11901,bmse000571,1
12,covalent,SING,C4,H18,,,,,11901,bmse000571,1
13,covalent,SING,C2,C1,,,,,11901,bmse000571,1
14,covalent,SING,C2,H13,,,,,11901,bmse000571,1
15,covalent,SING,C2,H14,,,,,11901,bmse000571,1
16,covalent,SING,C5,C6,,,,,11901,bmse000571,1
17,covalent,SING,C5,H19,,,,,11901,bmse000571,1
18,covalent,SING,C1,H12,,,,,11901,bmse000571,1
19,covalent,SING,C1,H10,,,,,11901,bmse000571,1
20,covalent,SING,C1,H11,,,,,11901,bmse000571,1
1,covalent,SING,O9,C7,,,,,11922,bmse000572,1
2,covalent,SING,O9,H26,,,,,11922,bmse000572,1
3,covalent,SING,O10,C8,,,,,11922,bmse000572,1
4,covalent,SING,O10,H27,,,,,11922,bmse000572,1
5,covalent,DOUB,O11,C8,,,,,11922,bmse000572,1
6,covalent,SING,C5,C4,,,,,11922,bmse000572,1
7,covalent,SING,C5,C6,,,,,11922,bmse000572,1
8,covalent,SING,C5,H21,,,,,11922,bmse000572,1
9,covalent,SING,C5,H22,,,,,11922,bmse000572,1
10,covalent,SING,C4,C3,,,,,11922,bmse000572,1
11,covalent,SING,C4,H19,,,,,11922,bmse000572,1
12,covalent,SING,C4,H20,,,,,11922,bmse000572,1
13,covalent,SING,C3,C2,,,,,11922,bmse000572,1
14,covalent,SING,C3,H17,,,,,11922,bmse000572,1
15,covalent,SING,C3,H18,,,,,11922,bmse000572,1
16,covalent,SING,C6,C7,,,,,11922,bmse000572,1
17,covalent,SING,C6,H23,,,,,11922,bmse000572,1
18,covalent,SING,C6,H24,,,,,11922,bmse000572,1
19,covalent,SING,C2,C1,,,,,11922,bmse000572,1
20,covalent,SING,C2,H15,,,,,11922,bmse000572,1
21,covalent,SING,C2,H16,,,,,11922,bmse000572,1
22,covalent,SING,C7,C8,,,,,11922,bmse000572,1
23,covalent,SING,C7,H25,,,,,11922,bmse000572,1
24,covalent,SING,C1,H14,,,,,11922,bmse000572,1
25,covalent,SING,C1,H12,,,,,11922,bmse000572,1
26,covalent,SING,C1,H13,,,,,11922,bmse000572,1
1,covalent,SING,O10,C7,,,,,11944,bmse000573,1
2,covalent,SING,O10,H19,,,,,11944,bmse000573,1
3,covalent,SING,O9,C6,,,,,11944,bmse000573,1
4,covalent,SING,O9,H18,,,,,11944,bmse000573,1
5,covalent,SING,O11,C8,,,,,11944,bmse000573,1
6,covalent,SING,O11,H20,,,,,11944,bmse000573,1
7,covalent,DOUB,O12,C8,,,,,11944,bmse000573,1
8,covalent,SING,C5,C7,,,,,11944,bmse000573,1
9,covalent,DOUB,C5,C4,,,,,11944,bmse000573,1
10,covalent,SING,C5,C2,,,,,11944,bmse000573,1
11,covalent,SING,C7,C8,,,,,11944,bmse000573,1
12,covalent,SING,C7,H17,,,,,11944,bmse000573,1
13,covalent,SING,C4,C6,,,,,11944,bmse000573,1
14,covalent,SING,C4,H16,,,,,11944,bmse000573,1
15,covalent,DOUB,C2,C1,,,,,11944,bmse000573,1
16,covalent,SING,C2,H14,,,,,11944,bmse000573,1
17,covalent,DOUB,C6,C3,,,,,11944,bmse000573,1
18,covalent,SING,C1,C3,,,,,11944,bmse000573,1
19,covalent,SING,C1,H13,,,,,11944,bmse000573,1
20,covalent,SING,C3,H15,,,,,11944,bmse000573,1
1,covalent,DOUB,O7,C5,,,,,11966,bmse000574,1
2,covalent,SING,O8,C6,,,,,11966,bmse000574,1
3,covalent,SING,O8,H19,,,,,11966,bmse000574,1
4,covalent,DOUB,O9,C6,,,,,11966,bmse000574,1
5,covalent,SING,C4,C3,,,,,11966,bmse000574,1
6,covalent,SING,C4,C2,,,,,11966,bmse000574,1
7,covalent,SING,C4,C5,,,,,11966,bmse000574,1
8,covalent,SING,C4,H18,,,,,11966,bmse000574,1
9,covalent,SING,C3,C1,,,,,11966,bmse000574,1
10,covalent,SING,C3,H16,,,,,11966,bmse000574,1
11,covalent,SING,C3,H17,,,,,11966,bmse000574,1
12,covalent,SING,C2,H15,,,,,11966,bmse000574,1
13,covalent,SING,C2,H14,,,,,11966,bmse000574,1
14,covalent,SING,C2,H13,,,,,11966,bmse000574,1
15,covalent,SING,C5,C6,,,,,11966,bmse000574,1
16,covalent,SING,C1,H12,,,,,11966,bmse000574,1
17,covalent,SING,C1,H11,,,,,11966,bmse000574,1
18,covalent,SING,C1,H10,,,,,11966,bmse000574,1
1,covalent,SING,O7,C5,,,,,11987,bmse000575,1
2,covalent,SING,O7,H19,,,,,11987,bmse000575,1
3,covalent,SING,O9,C6,,,,,11987,bmse000575,1
4,covalent,SING,O9,H20,,,,,11987,bmse000575,1
5,covalent,DOUB,O8,C5,,,,,11987,bmse000575,1
6,covalent,DOUB,O10,C6,,,,,11987,bmse000575,1
7,covalent,SING,C4,C2,,,,,11987,bmse000575,1
8,covalent,SING,C4,C3,,,,,11987,bmse000575,1
9,covalent,SING,C4,C1,,,,,11987,bmse000575,1
10,covalent,SING,C4,H18,,,,,11987,bmse000575,1
11,covalent,SING,C2,C5,,,,,11987,bmse000575,1
12,covalent,SING,C2,H14,,,,,11987,bmse000575,1
13,covalent,SING,C2,H15,,,,,11987,bmse000575,1
14,covalent,SING,C3,C6,,,,,11987,bmse000575,1
15,covalent,SING,C3,H16,,,,,11987,bmse000575,1
16,covalent,SING,C3,H17,,,,,11987,bmse000575,1
17,covalent,SING,C1,H12,,,,,11987,bmse000575,1
18,covalent,SING,C1,H13,,,,,11987,bmse000575,1
19,covalent,SING,C1,H11,,,,,11987,bmse000575,1
1,covalent,SING,O13,C8,,,,,12009,bmse000576,1
2,covalent,SING,O13,C2,,,,,12009,bmse000576,1
3,covalent,SING,O14,C9,,,,,12009,bmse000576,1
4,covalent,SING,O14,C3,,,,,12009,bmse000576,1
5,covalent,SING,O12,C10,,,,,12009,bmse000576,1
6,covalent,SING,O12,H26,,,,,12009,bmse000576,1
7,covalent,DOUB,O11,C6,,,,,12009,bmse000576,1
8,covalent,DOUB,C7,C5,,,,,12009,bmse000576,1
9,covalent,SING,C7,C4,,,,,12009,bmse000576,1
10,covalent,SING,C7,C6,,,,,12009,bmse000576,1
11,covalent,DOUB,C8,C4,,,,,12009,bmse000576,1
12,covalent,SING,C8,C10,,,,,12009,bmse000576,1
13,covalent,SING,C9,C5,,,,,12009,bmse000576,1
14,covalent,DOUB,C9,C10,,,,,12009,bmse000576,1
15,covalent,SING,C5,H25,,,,,12009,bmse000576,1
16,covalent,SING,C4,H24,,,,,12009,bmse000576,1
17,covalent,SING,C6,C1,,,,,12009,bmse000576,1
18,covalent,SING,C1,H16,,,,,12009,bmse000576,1
19,covalent,SING,C1,H17,,,,,12009,bmse000576,1
20,covalent,SING,C1,H15,,,,,12009,bmse000576,1
21,covalent,SING,C2,H18,,,,,12009,bmse000576,1
22,covalent,SING,C2,H20,,,,,12009,bmse000576,1
23,covalent,SING,C2,H19,,,,,12009,bmse000576,1
24,covalent,SING,C3,H23,,,,,12009,bmse000576,1
25,covalent,SING,C3,H22,,,,,12009,bmse000576,1
26,covalent,SING,C3,H21,,,,,12009,bmse000576,1
1,covalent,DOUB,O13,C10,,,,,12032,bmse000577,1
2,covalent,SING,N12,C9,,,,,12032,bmse000577,1
3,covalent,SING,N12,C10,,,,,12032,bmse000577,1
4,covalent,SING,N12,C1,,,,,12032,bmse000577,1
5,covalent,SING,N11,C7,,,,,12032,bmse000577,1
6,covalent,DOUB,N11,C6,,,,,12032,bmse000577,1
7,covalent,SING,C9,C4,,,,,12032,bmse000577,1
8,covalent,SING,C9,C8,,,,,12032,bmse000577,1
9,covalent,SING,C9,H25,,,,,12032,bmse000577,1
10,covalent,SING,C4,C5,,,,,12032,bmse000577,1
11,covalent,SING,C4,H19,,,,,12032,bmse000577,1
12,covalent,SING,C4,H20,,,,,12032,bmse000577,1
13,covalent,SING,C5,C10,,,,,12032,bmse000577,1
14,covalent,SING,C5,H21,,,,,12032,bmse000577,1
15,covalent,SING,C5,H22,,,,,12032,bmse000577,1
16,covalent,SING,C8,C3,,,,,12032,bmse000577,1
17,covalent,DOUB,C8,C7,,,,,12032,bmse000577,1
18,covalent,SING,C1,H16,,,,,12032,bmse000577,1
19,covalent,SING,C1,H14,,,,,12032,bmse000577,1
20,covalent,SING,C1,H15,,,,,12032,bmse000577,1
21,covalent,DOUB,C3,C2,,,,,12032,bmse000577,1
22,covalent,SING,C3,H18,,,,,12032,bmse000577,1
23,covalent,SING,C7,H24,,,,,12032,bmse000577,1
24,covalent,SING,C2,C6,,,,,12032,bmse000577,1
25,covalent,SING,C2,H17,,,,,12032,bmse000577,1
26,covalent,SING,C6,H23,,,,,12032,bmse000577,1
1,covalent,SING,O6,C4,,,,,12054,bmse000578,1
2,covalent,SING,O6,H16,,,,,12054,bmse000578,1
3,covalent,SING,O8,C5,,,,,12054,bmse000578,1
4,covalent,SING,O8,H17,,,,,12054,bmse000578,1
5,covalent,DOUB,O7,C4,,,,,12054,bmse000578,1
6,covalent,DOUB,O9,C5,,,,,12054,bmse000578,1
7,covalent,SING,C3,C2,,,,,12054,bmse000578,1
8,covalent,SING,C3,C4,,,,,12054,bmse000578,1
9,covalent,SING,C3,C5,,,,,12054,bmse000578,1
10,covalent,SING,C3,H15,,,,,12054,bmse000578,1
11,covalent,SING,C2,C1,,,,,12054,bmse000578,1
12,covalent,SING,C2,H13,,,,,12054,bmse000578,1
13,covalent,SING,C2,H14,,,,,12054,bmse000578,1
14,covalent,SING,C1,H12,,,,,12054,bmse000578,1
15,covalent,SING,C1,H10,,,,,12054,bmse000578,1
16,covalent,SING,C1,H11,,,,,12054,bmse000578,1
1,covalent,SING,O9,C2,,,,,12076,bmse000579,1
2,covalent,SING,O9,C5,,,,,12076,bmse000579,1
3,covalent,DOUB,O8,C5,,,,,12076,bmse000579,1
4,covalent,SING,O6,C4,,,,,12076,bmse000579,1
5,covalent,SING,O6,H17,,,,,12076,bmse000579,1
6,covalent,DOUB,O7,C4,,,,,12076,bmse000579,1
7,covalent,SING,C2,C1,,,,,12076,bmse000579,1
8,covalent,SING,C2,H13,,,,,12076,bmse000579,1
9,covalent,SING,C2,H14,,,,,12076,bmse000579,1
10,covalent,SING,C3,C5,,,,,12076,bmse000579,1
11,covalent,SING,C3,C4,,,,,12076,bmse000579,1
12,covalent,SING,C3,H15,,,,,12076,bmse000579,1
13,covalent,SING,C3,H16,,,,,12076,bmse000579,1
14,covalent,SING,C1,H10,,,,,12076,bmse000579,1
15,covalent,SING,C1,H12,,,,,12076,bmse000579,1
16,covalent,SING,C1,H11,,,,,12076,bmse000579,1
1,covalent,SING,O10,C6,,,,,12096,bmse000580,1
2,covalent,SING,O10,C1,,,,,12096,bmse000580,1
3,covalent,SING,O7,C5,,,,,12096,bmse000580,1
4,covalent,SING,O7,H20,,,,,12096,bmse000580,1
5,covalent,DOUB,O9,C6,,,,,12096,bmse000580,1
6,covalent,DOUB,O8,C5,,,,,12096,bmse000580,1
7,covalent,SING,C2,C4,,,,,12096,bmse000580,1
8,covalent,SING,C2,C3,,,,,12096,bmse000580,1
9,covalent,SING,C2,H14,,,,,12096,bmse000580,1
10,covalent,SING,C2,H15,,,,,12096,bmse000580,1
11,covalent,SING,C4,C6,,,,,12096,bmse000580,1
12,covalent,SING,C4,H18,,,,,12096,bmse000580,1
13,covalent,SING,C4,H19,,,,,12096,bmse000580,1
14,covalent,SING,C3,C5,,,,,12096,bmse000580,1
15,covalent,SING,C3,H16,,,,,12096,bmse000580,1
16,covalent,SING,C3,H17,,,,,12096,bmse000580,1
17,covalent,SING,C1,H11,,,,,12096,bmse000580,1
18,covalent,SING,C1,H12,,,,,12096,bmse000580,1
19,covalent,SING,C1,H13,,,,,12096,bmse000580,1
1,covalent,SING,O6,C5,,,,,12111,bmse000581,1
2,covalent,SING,O6,H15,,,,,12111,bmse000581,1
3,covalent,DOUB,O7,C5,,,,,12111,bmse000581,1
4,covalent,SING,C4,C1,,,,,12111,bmse000581,1
5,covalent,SING,C4,C2,,,,,12111,bmse000581,1
6,covalent,DOUB,C4,C3,,,,,12111,bmse000581,1
7,covalent,SING,C1,H9,,,,,12111,bmse000581,1
8,covalent,SING,C1,H8,,,,,12111,bmse000581,1
9,covalent,SING,C1,H10,,,,,12111,bmse000581,1
10,covalent,SING,C2,H11,,,,,12111,bmse000581,1
11,covalent,SING,C2,H12,,,,,12111,bmse000581,1
12,covalent,SING,C2,H13,,,,,12111,bmse000581,1
13,covalent,SING,C3,C5,,,,,12111,bmse000581,1
14,covalent,SING,C3,H14,,,,,12111,bmse000581,1
1,covalent,SING,O9,C7,,,,,12133,bmse000582,1
2,covalent,SING,O9,H15,,,,,12133,bmse000582,1
3,covalent,DOUB,O8,C5,,,,,12133,bmse000582,1
4,covalent,SING,C5,C6,,,,,12133,bmse000582,1
5,covalent,SING,C5,H14,,,,,12133,bmse000582,1
6,covalent,SING,C7,C3,,,,,12133,bmse000582,1
7,covalent,DOUB,C7,C4,,,,,12133,bmse000582,1
8,covalent,SING,C6,C1,,,,,12133,bmse000582,1
9,covalent,DOUB,C6,C2,,,,,12133,bmse000582,1
10,covalent,DOUB,C3,C1,,,,,12133,bmse000582,1
11,covalent,SING,C3,H12,,,,,12133,bmse000582,1
12,covalent,SING,C4,C2,,,,,12133,bmse000582,1
13,covalent,SING,C4,H13,,,,,12133,bmse000582,1
14,covalent,SING,C1,H10,,,,,12133,bmse000582,1
15,covalent,SING,C2,H11,,,,,12133,bmse000582,1
1,covalent,DOUB,C1,C3,,,,,12156,bmse000583,1
2,covalent,SING,C1,C5,,,,,12156,bmse000583,1
3,covalent,SING,C1,H11,,,,,12156,bmse000583,1
4,covalent,SING,C2,C4,,,,,12156,bmse000583,1
5,covalent,DOUB,C2,C5,,,,,12156,bmse000583,1
6,covalent,SING,C2,H12,,,,,12156,bmse000583,1
7,covalent,SING,C3,C6,,,,,12156,bmse000583,1
8,covalent,SING,C3,H13,,,,,12156,bmse000583,1
9,covalent,DOUB,C4,C6,,,,,12156,bmse000583,1
10,covalent,SING,C4,H14,,,,,12156,bmse000583,1
11,covalent,SING,C5,C7,,,,,12156,bmse000583,1
12,covalent,SING,C6,O8,,,,,12156,bmse000583,1
13,covalent,SING,C7,O9,,,,,12156,bmse000583,1
14,covalent,DOUB,C7,O10,,,,,12156,bmse000583,1
15,covalent,SING,O8,H15,,,,,12156,bmse000583,1
16,covalent,SING,O9,H16,,,,,12156,bmse000583,1
1,covalent,SING,O12,C9,,,,,12179,bmse000584,1
2,covalent,SING,O12,C2,,,,,12179,bmse000584,1
3,covalent,SING,O11,C8,,,,,12179,bmse000584,1
4,covalent,SING,O11,H22,,,,,12179,bmse000584,1
5,covalent,DOUB,O10,C6,,,,,12179,bmse000584,1
6,covalent,DOUB,C7,C5,,,,,12179,bmse000584,1
7,covalent,SING,C7,C3,,,,,12179,bmse000584,1
8,covalent,SING,C7,C6,,,,,12179,bmse000584,1
9,covalent,SING,C9,C5,,,,,12179,bmse000584,1
10,covalent,DOUB,C9,C8,,,,,12179,bmse000584,1
11,covalent,SING,C5,H21,,,,,12179,bmse000584,1
12,covalent,DOUB,C3,C4,,,,,12179,bmse000584,1
13,covalent,SING,C3,H19,,,,,12179,bmse000584,1
14,covalent,SING,C8,C4,,,,,12179,bmse000584,1
15,covalent,SING,C4,H20,,,,,12179,bmse000584,1
16,covalent,SING,C6,C1,,,,,12179,bmse000584,1
17,covalent,SING,C1,H15,,,,,12179,bmse000584,1
18,covalent,SING,C1,H14,,,,,12179,bmse000584,1
19,covalent,SING,C1,H13,,,,,12179,bmse000584,1
20,covalent,SING,C2,H18,,,,,12179,bmse000584,1
21,covalent,SING,C2,H17,,,,,12179,bmse000584,1
22,covalent,SING,C2,H16,,,,,12179,bmse000584,1
1,covalent,SING,O13,C10,,,,,12202,bmse000585,1
2,covalent,SING,O13,C1,,,,,12202,bmse000585,1
3,covalent,SING,O11,C6,,,,,12202,bmse000585,1
4,covalent,SING,O11,H26,,,,,12202,bmse000585,1
5,covalent,SING,O12,C9,,,,,12202,bmse000585,1
6,covalent,SING,O12,H27,,,,,12202,bmse000585,1
7,covalent,SING,C3,C2,,,,,12202,bmse000585,1
8,covalent,SING,C3,C8,,,,,12202,bmse000585,1
9,covalent,SING,C3,H19,,,,,12202,bmse000585,1
10,covalent,SING,C3,H20,,,,,12202,bmse000585,1
11,covalent,SING,C2,C6,,,,,12202,bmse000585,1
12,covalent,SING,C2,H17,,,,,12202,bmse000585,1
13,covalent,SING,C2,H18,,,,,12202,bmse000585,1
14,covalent,DOUB,C8,C7,,,,,12202,bmse000585,1
15,covalent,SING,C8,C4,,,,,12202,bmse000585,1
16,covalent,SING,C7,C10,,,,,12202,bmse000585,1
17,covalent,SING,C7,H25,,,,,12202,bmse000585,1
18,covalent,SING,C6,H23,,,,,12202,bmse000585,1
19,covalent,SING,C6,H24,,,,,12202,bmse000585,1
20,covalent,DOUB,C4,C5,,,,,12202,bmse000585,1
21,covalent,SING,C4,H21,,,,,12202,bmse000585,1
22,covalent,DOUB,C10,C9,,,,,12202,bmse000585,1
23,covalent,SING,C5,C9,,,,,12202,bmse000585,1
24,covalent,SING,C5,H22,,,,,12202,bmse000585,1
25,covalent,SING,C1,H16,,,,,12202,bmse000585,1
26,covalent,SING,C1,H15,,,,,12202,bmse000585,1
27,covalent,SING,C1,H14,,,,,12202,bmse000585,1
1,covalent,SING,O14,C9,,,,,12225,bmse000586,1
2,covalent,SING,O14,C1,,,,,12225,bmse000586,1
3,covalent,SING,O15,C10,,,,,12225,bmse000586,1
4,covalent,SING,O15,C2,,,,,12225,bmse000586,1
5,covalent,SING,O12,C5,,,,,12225,bmse000586,1
6,covalent,SING,O12,H30,,,,,12225,bmse000586,1
7,covalent,SING,O13,C11,,,,,12225,bmse000586,1
8,covalent,SING,O13,H31,,,,,12225,bmse000586,1
9,covalent,SING,C4,C8,,,,,12225,bmse000586,1
10,covalent,SING,C4,C3,,,,,12225,bmse000586,1
11,covalent,SING,C4,H24,,,,,12225,bmse000586,1
12,covalent,SING,C4,H25,,,,,12225,bmse000586,1
13,covalent,DOUB,C8,C7,,,,,12225,bmse000586,1
14,covalent,SING,C8,C6,,,,,12225,bmse000586,1
15,covalent,SING,C3,C5,,,,,12225,bmse000586,1
16,covalent,SING,C3,H22,,,,,12225,bmse000586,1
17,covalent,SING,C3,H23,,,,,12225,bmse000586,1
18,covalent,SING,C7,C10,,,,,12225,bmse000586,1
19,covalent,SING,C7,H29,,,,,12225,bmse000586,1
20,covalent,DOUB,C6,C9,,,,,12225,bmse000586,1
21,covalent,SING,C6,H28,,,,,12225,bmse000586,1
22,covalent,SING,C5,H26,,,,,12225,bmse000586,1
23,covalent,SING,C5,H27,,,,,12225,bmse000586,1
24,covalent,SING,C9,C11,,,,,12225,bmse000586,1
25,covalent,DOUB,C10,C11,,,,,12225,bmse000586,1
26,covalent,SING,C1,H16,,,,,12225,bmse000586,1
27,covalent,SING,C1,H18,,,,,12225,bmse000586,1
28,covalent,SING,C1,H17,,,,,12225,bmse000586,1
29,covalent,SING,C2,H19,,,,,12225,bmse000586,1
30,covalent,SING,C2,H21,,,,,12225,bmse000586,1
31,covalent,SING,C2,H20,,,,,12225,bmse000586,1
1,covalent,SING,O14,C9,,,,,12248,bmse000587,1
2,covalent,SING,O14,C1,,,,,12248,bmse000587,1
3,covalent,SING,O11,C8,,,,,12248,bmse000587,1
4,covalent,SING,O11,H23,,,,,12248,bmse000587,1
5,covalent,SING,O12,C10,,,,,12248,bmse000587,1
6,covalent,SING,O12,H24,,,,,12248,bmse000587,1
7,covalent,DOUB,O13,C10,,,,,12248,bmse000587,1
8,covalent,DOUB,C7,C6,,,,,12248,bmse000587,1
9,covalent,SING,C7,C2,,,,,12248,bmse000587,1
10,covalent,SING,C7,C3,,,,,12248,bmse000587,1
11,covalent,SING,C9,C6,,,,,12248,bmse000587,1
12,covalent,DOUB,C9,C8,,,,,12248,bmse000587,1
13,covalent,SING,C6,H22,,,,,12248,bmse000587,1
14,covalent,DOUB,C2,C4,,,,,12248,bmse000587,1
15,covalent,SING,C2,H18,,,,,12248,bmse000587,1
16,covalent,SING,C8,C4,,,,,12248,bmse000587,1
17,covalent,SING,C4,H20,,,,,12248,bmse000587,1
18,covalent,DOUB,C3,C5,,,,,12248,bmse000587,1
19,covalent,SING,C3,H19,,,,,12248,bmse000587,1
20,covalent,SING,C5,C10,,,,,12248,bmse000587,1
21,covalent,SING,C5,H21,,,,,12248,bmse000587,1
22,covalent,SING,C1,H17,,,,,12248,bmse000587,1
23,covalent,SING,C1,H16,,,,,12248,bmse000587,1
24,covalent,SING,C1,H15,,,,,12248,bmse000587,1
1,covalent,SING,O11,C7,,,,,12271,bmse000588,1
2,covalent,SING,O11,H24,,,,,12271,bmse000588,1
3,covalent,DOUB,O10,C6,,,,,12271,bmse000588,1
4,covalent,DOUB,O12,C7,,,,,12271,bmse000588,1
5,covalent,SING,N9,C5,,,,,12271,bmse000588,1
6,covalent,SING,N9,C3,,,,,12271,bmse000588,1
7,covalent,SING,N9,C6,,,,,12271,bmse000588,1
8,covalent,SING,N8,C4,,,,,12271,bmse000588,1
9,covalent,SING,N8,H22,,,,,12271,bmse000588,1
10,covalent,SING,N8,H23,,,,,12271,bmse000588,1
11,covalent,SING,C5,C2,,,,,12271,bmse000588,1
12,covalent,SING,C5,C7,,,,,12271,bmse000588,1
13,covalent,SING,C5,H21,,,,,12271,bmse000588,1
14,covalent,SING,C2,C1,,,,,12271,bmse000588,1
15,covalent,SING,C2,H15,,,,,12271,bmse000588,1
16,covalent,SING,C2,H16,,,,,12271,bmse000588,1
17,covalent,SING,C1,C3,,,,,12271,bmse000588,1
18,covalent,SING,C1,H13,,,,,12271,bmse000588,1
19,covalent,SING,C1,H14,,,,,12271,bmse000588,1
20,covalent,SING,C3,H17,,,,,12271,bmse000588,1
21,covalent,SING,C3,H18,,,,,12271,bmse000588,1
22,covalent,SING,C6,C4,,,,,12271,bmse000588,1
23,covalent,SING,C4,H19,,,,,12271,bmse000588,1
24,covalent,SING,C4,H20,,,,,12271,bmse000588,1
1,covalent,SING,O15,C9,,,,,12293,bmse000589,1
2,covalent,SING,O15,C1,,,,,12293,bmse000589,1
3,covalent,SING,O16,C10,,,,,12293,bmse000589,1
4,covalent,SING,O16,C2,,,,,12293,bmse000589,1
5,covalent,SING,O14,C12,,,,,12293,bmse000589,1
6,covalent,SING,O14,H31,,,,,12293,bmse000589,1
7,covalent,SING,O17,C11,,,,,12293,bmse000589,1
8,covalent,SING,O17,C3,,,,,12293,bmse000589,1
9,covalent,DOUB,O13,C11,,,,,12293,bmse000589,1
10,covalent,DOUB,C8,C7,,,,,12293,bmse000589,1
11,covalent,SING,C8,C6,,,,,12293,bmse000589,1
12,covalent,SING,C8,C4,,,,,12293,bmse000589,1
13,covalent,DOUB,C9,C6,,,,,12293,bmse000589,1
14,covalent,SING,C9,C12,,,,,12293,bmse000589,1
15,covalent,SING,C10,C7,,,,,12293,bmse000589,1
16,covalent,DOUB,C10,C12,,,,,12293,bmse000589,1
17,covalent,SING,C7,H30,,,,,12293,bmse000589,1
18,covalent,SING,C6,H29,,,,,12293,bmse000589,1
19,covalent,DOUB,C4,C5,,,,,12293,bmse000589,1
20,covalent,SING,C4,H27,,,,,12293,bmse000589,1
21,covalent,SING,C5,C11,,,,,12293,bmse000589,1
22,covalent,SING,C5,H28,,,,,12293,bmse000589,1
23,covalent,SING,C1,H18,,,,,12293,bmse000589,1
24,covalent,SING,C1,H20,,,,,12293,bmse000589,1
25,covalent,SING,C1,H19,,,,,12293,bmse000589,1
26,covalent,SING,C2,H23,,,,,12293,bmse000589,1
27,covalent,SING,C2,H22,,,,,12293,bmse000589,1
28,covalent,SING,C2,H21,,,,,12293,bmse000589,1
29,covalent,SING,C3,H24,,,,,12293,bmse000589,1
30,covalent,SING,C3,H25,,,,,12293,bmse000589,1
31,covalent,SING,C3,H26,,,,,12293,bmse000589,1
1,covalent,SING,O17,C16,,,,,12315,bmse000590,1
2,covalent,SING,O17,H50,,,,,12315,bmse000590,1
3,covalent,DOUB,O18,C16,,,,,12315,bmse000590,1
4,covalent,SING,C8,C9,,,,,12315,bmse000590,1
5,covalent,SING,C8,C7,,,,,12315,bmse000590,1
6,covalent,SING,C8,H34,,,,,12315,bmse000590,1
7,covalent,SING,C8,H35,,,,,12315,bmse000590,1
8,covalent,SING,C9,C10,,,,,12315,bmse000590,1
9,covalent,SING,C9,H36,,,,,12315,bmse000590,1
10,covalent,SING,C9,H37,,,,,12315,bmse000590,1
11,covalent,SING,C7,C6,,,,,12315,bmse000590,1
12,covalent,SING,C7,H32,,,,,12315,bmse000590,1
13,covalent,SING,C7,H33,,,,,12315,bmse000590,1
14,covalent,SING,C10,C11,,,,,12315,bmse000590,1
15,covalent,SING,C10,H38,,,,,12315,bmse000590,1
16,covalent,SING,C10,H39,,,,,12315,bmse000590,1
17,covalent,SING,C6,C5,,,,,12315,bmse000590,1
18,covalent,SING,C6,H30,,,,,12315,bmse000590,1
19,covalent,SING,C6,H31,,,,,12315,bmse000590,1
20,covalent,SING,C11,C12,,,,,12315,bmse000590,1
21,covalent,SING,C11,H40,,,,,12315,bmse000590,1
22,covalent,SING,C11,H41,,,,,12315,bmse000590,1
23,covalent,SING,C5,C4,,,,,12315,bmse000590,1
24,covalent,SING,C5,H28,,,,,12315,bmse000590,1
25,covalent,SING,C5,H29,,,,,12315,bmse000590,1
26,covalent,SING,C12,C13,,,,,12315,bmse000590,1
27,covalent,SING,C12,H42,,,,,12315,bmse000590,1
28,covalent,SING,C12,H43,,,,,12315,bmse000590,1
29,covalent,SING,C4,C3,,,,,12315,bmse000590,1
30,covalent,SING,C4,H26,,,,,12315,bmse000590,1
31,covalent,SING,C4,H27,,,,,12315,bmse000590,1
32,covalent,SING,C13,C14,,,,,12315,bmse000590,1
33,covalent,SING,C13,H44,,,,,12315,bmse000590,1
34,covalent,SING,C13,H45,,,,,12315,bmse000590,1
35,covalent,SING,C3,C2,,,,,12315,bmse000590,1
36,covalent,SING,C3,H24,,,,,12315,bmse000590,1
37,covalent,SING,C3,H25,,,,,12315,bmse000590,1
38,covalent,SING,C14,C15,,,,,12315,bmse000590,1
39,covalent,SING,C14,H46,,,,,12315,bmse000590,1
40,covalent,SING,C14,H47,,,,,12315,bmse000590,1
41,covalent,SING,C2,C1,,,,,12315,bmse000590,1
42,covalent,SING,C2,H22,,,,,12315,bmse000590,1
43,covalent,SING,C2,H23,,,,,12315,bmse000590,1
44,covalent,SING,C15,C16,,,,,12315,bmse000590,1
45,covalent,SING,C15,H48,,,,,12315,bmse000590,1
46,covalent,SING,C15,H49,,,,,12315,bmse000590,1
47,covalent,SING,C1,H21,,,,,12315,bmse000590,1
48,covalent,SING,C1,H19,,,,,12315,bmse000590,1
49,covalent,SING,C1,H20,,,,,12315,bmse000590,1
1,covalent,SING,O10,C8,,,,,12336,bmse000591,1
2,covalent,SING,O10,H19,,,,,12336,bmse000591,1
3,covalent,SING,O11,C9,,,,,12336,bmse000591,1
4,covalent,SING,O11,H20,,,,,12336,bmse000591,1
5,covalent,DOUB,O12,C9,,,,,12336,bmse000591,1
6,covalent,DOUB,C7,C1,,,,,12336,bmse000591,1
7,covalent,SING,C7,C2,,,,,12336,bmse000591,1
8,covalent,SING,C7,C3,,,,,12336,bmse000591,1
9,covalent,SING,C1,C4,,,,,12336,bmse000591,1
10,covalent,SING,C1,H13,,,,,12336,bmse000591,1
11,covalent,DOUB,C2,C5,,,,,12336,bmse000591,1
12,covalent,SING,C2,H14,,,,,12336,bmse000591,1
13,covalent,DOUB,C4,C8,,,,,12336,bmse000591,1
14,covalent,SING,C4,H16,,,,,12336,bmse000591,1
15,covalent,SING,C5,C8,,,,,12336,bmse000591,1
16,covalent,SING,C5,H17,,,,,12336,bmse000591,1
17,covalent,DOUB,C3,C6,,,,,12336,bmse000591,1
18,covalent,SING,C3,H15,,,,,12336,bmse000591,1
19,covalent,SING,C6,C9,,,,,12336,bmse000591,1
20,covalent,SING,C6,H18,,,,,12336,bmse000591,1
1,covalent,SING,O11,C9,,,,,12359,bmse000592,1
2,covalent,SING,O11,H21,,,,,12359,bmse000592,1
3,covalent,SING,O10,C7,,,,,12359,bmse000592,1
4,covalent,SING,O10,H20,,,,,12359,bmse000592,1
5,covalent,DOUB,C8,C3,,,,,12359,bmse000592,1
6,covalent,SING,C8,C4,,,,,12359,bmse000592,1
7,covalent,SING,C8,C2,,,,,12359,bmse000592,1
8,covalent,SING,C3,C5,,,,,12359,bmse000592,1
9,covalent,SING,C3,H14,,,,,12359,bmse000592,1
10,covalent,DOUB,C4,C6,,,,,12359,bmse000592,1
11,covalent,SING,C4,H15,,,,,12359,bmse000592,1
12,covalent,DOUB,C2,C1,,,,,12359,bmse000592,1
13,covalent,SING,C2,H13,,,,,12359,bmse000592,1
14,covalent,DOUB,C5,C9,,,,,12359,bmse000592,1
15,covalent,SING,C5,H16,,,,,12359,bmse000592,1
16,covalent,SING,C6,C9,,,,,12359,bmse000592,1
17,covalent,SING,C6,H17,,,,,12359,bmse000592,1
18,covalent,SING,C1,C7,,,,,12359,bmse000592,1
19,covalent,SING,C1,H12,,,,,12359,bmse000592,1
20,covalent,SING,C7,H18,,,,,12359,bmse000592,1
21,covalent,SING,C7,H19,,,,,12359,bmse000592,1
1,covalent,SING,O10,C8,,,,,12381,bmse000593,1
2,covalent,SING,O10,H18,,,,,12381,bmse000593,1
3,covalent,DOUB,O9,C6,,,,,12381,bmse000593,1
4,covalent,DOUB,C7,C2,,,,,12381,bmse000593,1
5,covalent,SING,C7,C3,,,,,12381,bmse000593,1
6,covalent,SING,C7,C6,,,,,12381,bmse000593,1
7,covalent,SING,C2,C4,,,,,12381,bmse000593,1
8,covalent,SING,C2,H14,,,,,12381,bmse000593,1
9,covalent,DOUB,C3,C5,,,,,12381,bmse000593,1
10,covalent,SING,C3,H15,,,,,12381,bmse000593,1
11,covalent,SING,C6,C1,,,,,12381,bmse000593,1
12,covalent,DOUB,C4,C8,,,,,12381,bmse000593,1
13,covalent,SING,C4,H16,,,,,12381,bmse000593,1
14,covalent,SING,C5,C8,,,,,12381,bmse000593,1
15,covalent,SING,C5,H17,,,,,12381,bmse000593,1
16,covalent,SING,C1,H12,,,,,12381,bmse000593,1
17,covalent,SING,C1,H13,,,,,12381,bmse000593,1
18,covalent,SING,C1,H11,,,,,12381,bmse000593,1
1,covalent,SING,O15,C8,,,,,12404,bmse000594,1
2,covalent,SING,O15,C1,,,,,12404,bmse000594,1
3,covalent,SING,O16,C9,,,,,12404,bmse000594,1
4,covalent,SING,O16,C2,,,,,12404,bmse000594,1
5,covalent,SING,O14,C11,,,,,12404,bmse000594,1
6,covalent,SING,O14,H28,,,,,12404,bmse000594,1
7,covalent,SING,O12,C10,,,,,12404,bmse000594,1
8,covalent,SING,O12,H27,,,,,12404,bmse000594,1
9,covalent,DOUB,O13,C10,,,,,12404,bmse000594,1
10,covalent,DOUB,C7,C5,,,,,12404,bmse000594,1
11,covalent,SING,C7,C6,,,,,12404,bmse000594,1
12,covalent,SING,C7,C3,,,,,12404,bmse000594,1
13,covalent,DOUB,C8,C11,,,,,12404,bmse000594,1
14,covalent,SING,C8,C5,,,,,12404,bmse000594,1
15,covalent,SING,C9,C11,,,,,12404,bmse000594,1
16,covalent,DOUB,C9,C6,,,,,12404,bmse000594,1
17,covalent,SING,C5,H25,,,,,12404,bmse000594,1
18,covalent,SING,C6,H26,,,,,12404,bmse000594,1
19,covalent,DOUB,C3,C4,,,,,12404,bmse000594,1
20,covalent,SING,C3,H23,,,,,12404,bmse000594,1
21,covalent,SING,C4,C10,,,,,12404,bmse000594,1
22,covalent,SING,C4,H24,,,,,12404,bmse000594,1
23,covalent,SING,C1,H19,,,,,12404,bmse000594,1
24,covalent,SING,C1,H18,,,,,12404,bmse000594,1
25,covalent,SING,C1,H17,,,,,12404,bmse000594,1
26,covalent,SING,C2,H20,,,,,12404,bmse000594,1
27,covalent,SING,C2,H22,,,,,12404,bmse000594,1
28,covalent,SING,C2,H21,,,,,12404,bmse000594,1
1,covalent,SING,O12,C7,,,,,12427,bmse000595,1
2,covalent,SING,O12,C1,,,,,12427,bmse000595,1
3,covalent,SING,O13,C8,,,,,12427,bmse000595,1
4,covalent,SING,O13,C2,,,,,12427,bmse000595,1
5,covalent,SING,O11,C9,,,,,12427,bmse000595,1
6,covalent,SING,O11,H23,,,,,12427,bmse000595,1
7,covalent,DOUB,O10,C5,,,,,12427,bmse000595,1
8,covalent,DOUB,C7,C9,,,,,12427,bmse000595,1
9,covalent,SING,C7,C3,,,,,12427,bmse000595,1
10,covalent,SING,C8,C9,,,,,12427,bmse000595,1
11,covalent,DOUB,C8,C4,,,,,12427,bmse000595,1
12,covalent,DOUB,C6,C3,,,,,12427,bmse000595,1
13,covalent,SING,C6,C4,,,,,12427,bmse000595,1
14,covalent,SING,C6,C5,,,,,12427,bmse000595,1
15,covalent,SING,C3,H20,,,,,12427,bmse000595,1
16,covalent,SING,C4,H21,,,,,12427,bmse000595,1
17,covalent,SING,C5,H22,,,,,12427,bmse000595,1
18,covalent,SING,C1,H16,,,,,12427,bmse000595,1
19,covalent,SING,C1,H14,,,,,12427,bmse000595,1
20,covalent,SING,C1,H15,,,,,12427,bmse000595,1
21,covalent,SING,C2,H19,,,,,12427,bmse000595,1
22,covalent,SING,C2,H17,,,,,12427,bmse000595,1
23,covalent,SING,C2,H18,,,,,12427,bmse000595,1
1,covalent,SING,O7,C5,,,,,12450,bmse000596,1
2,covalent,SING,O7,H17,,,,,12450,bmse000596,1
3,covalent,SING,O9,C6,,,,,12450,bmse000596,1
4,covalent,SING,O9,H18,,,,,12450,bmse000596,1
5,covalent,DOUB,O8,C5,,,,,12450,bmse000596,1
6,covalent,DOUB,O10,C6,,,,,12450,bmse000596,1
7,covalent,SING,C3,C1,,,,,12450,bmse000596,1
8,covalent,SING,C3,C5,,,,,12450,bmse000596,1
9,covalent,SING,C3,H13,,,,,12450,bmse000596,1
10,covalent,SING,C3,H14,,,,,12450,bmse000596,1
11,covalent,SING,C4,C2,,,,,12450,bmse000596,1
12,covalent,SING,C4,C6,,,,,12450,bmse000596,1
13,covalent,SING,C4,H15,,,,,12450,bmse000596,1
14,covalent,SING,C4,H16,,,,,12450,bmse000596,1
15,covalent,DOUB,C1,C2,,,,,12450,bmse000596,1
16,covalent,SING,C1,H11,,,,,12450,bmse000596,1
17,covalent,SING,C2,H12,,,,,12450,bmse000596,1
1,covalent,SING,O11,C8,,,,,12472,bmse000597,1
2,covalent,SING,O11,C1,,,,,12472,bmse000597,1
3,covalent,SING,O10,C7,,,,,12472,bmse000597,1
4,covalent,SING,O10,H19,,,,,12472,bmse000597,1
5,covalent,DOUB,O9,C5,,,,,12472,bmse000597,1
6,covalent,SING,C8,C4,,,,,12472,bmse000597,1
7,covalent,DOUB,C8,C7,,,,,12472,bmse000597,1
8,covalent,DOUB,C6,C4,,,,,12472,bmse000597,1
9,covalent,SING,C6,C2,,,,,12472,bmse000597,1
10,covalent,SING,C6,C5,,,,,12472,bmse000597,1
11,covalent,SING,C4,H17,,,,,12472,bmse000597,1
12,covalent,SING,C7,C3,,,,,12472,bmse000597,1
13,covalent,DOUB,C2,C3,,,,,12472,bmse000597,1
14,covalent,SING,C2,H15,,,,,12472,bmse000597,1
15,covalent,SING,C3,H16,,,,,12472,bmse000597,1
16,covalent,SING,C5,H18,,,,,12472,bmse000597,1
17,covalent,SING,C1,H14,,,,,12472,bmse000597,1
18,covalent,SING,C1,H13,,,,,12472,bmse000597,1
19,covalent,SING,C1,H12,,,,,12472,bmse000597,1
1,covalent,SING,C21,O24,,,,,12495,bmse000598,1
2,covalent,SING,O24,H54,,,,,12495,bmse000598,1
3,covalent,DOUB,O22,C13,,,,,12495,bmse000598,1
4,covalent,DOUB,O23,C15,,,,,12495,bmse000598,1
5,covalent,SING,C20,C18,,,,,12495,bmse000598,1
6,covalent,SING,C20,C21,,,,,12495,bmse000598,1
7,covalent,SING,C20,C10,,,,,12495,bmse000598,1
8,covalent,SING,C20,C3,,,,,12495,bmse000598,1
9,covalent,SING,C18,C16,,,,,12495,bmse000598,1
10,covalent,SING,C18,C8,,,,,12495,bmse000598,1
11,covalent,SING,C18,H53,,,,,12495,bmse000598,1
12,covalent,SING,C16,C17,,,,,12495,bmse000598,1
13,covalent,SING,C16,C5,,,,,12495,bmse000598,1
14,covalent,SING,C16,H51,,,,,12495,bmse000598,1
15,covalent,SING,C17,C19,,,,,12495,bmse000598,1
16,covalent,SING,C17,C7,,,,,12495,bmse000598,1
17,covalent,SING,C17,H52,,,,,12495,bmse000598,1
18,covalent,SING,C21,C11,,,,,12495,bmse000598,1
19,covalent,SING,C21,C13,,,,,12495,bmse000598,1
20,covalent,SING,C19,C14,,,,,12495,bmse000598,1
21,covalent,SING,C19,C9,,,,,12495,bmse000598,1
22,covalent,SING,C19,C2,,,,,12495,bmse000598,1
23,covalent,SING,C10,C7,,,,,12495,bmse000598,1
24,covalent,SING,C10,H46,,,,,12495,bmse000598,1
25,covalent,SING,C10,H47,,,,,12495,bmse000598,1
26,covalent,SING,C7,H40,,,,,12495,bmse000598,1
27,covalent,SING,C7,H41,,,,,12495,bmse000598,1
28,covalent,SING,C8,C11,,,,,12495,bmse000598,1
29,covalent,SING,C8,H42,,,,,12495,bmse000598,1
30,covalent,SING,C8,H43,,,,,12495,bmse000598,1
31,covalent,SING,C11,H48,,,,,12495,bmse000598,1
32,covalent,SING,C11,H49,,,,,12495,bmse000598,1
33,covalent,SING,C5,C4,,,,,12495,bmse000598,1
34,covalent,SING,C5,H36,,,,,12495,bmse000598,1
35,covalent,SING,C5,H37,,,,,12495,bmse000598,1
36,covalent,SING,C3,H31,,,,,12495,bmse000598,1
37,covalent,SING,C3,H33,,,,,12495,bmse000598,1
38,covalent,SING,C3,H32,,,,,12495,bmse000598,1
39,covalent,SING,C14,C4,,,,,12495,bmse000598,1
40,covalent,DOUB,C14,C12,,,,,12495,bmse000598,1
41,covalent,SING,C4,H34,,,,,12495,bmse000598,1
42,covalent,SING,C4,H35,,,,,12495,bmse000598,1
43,covalent,SING,C9,C6,,,,,12495,bmse000598,1
44,covalent,SING,C9,H44,,,,,12495,bmse000598,1
45,covalent,SING,C9,H45,,,,,12495,bmse000598,1
46,covalent,SING,C2,H28,,,,,12495,bmse000598,1
47,covalent,SING,C2,H30,,,,,12495,bmse000598,1
48,covalent,SING,C2,H29,,,,,12495,bmse000598,1
49,covalent,SING,C13,C1,,,,,12495,bmse000598,1
50,covalent,SING,C6,C15,,,,,12495,bmse000598,1
51,covalent,SING,C6,H38,,,,,12495,bmse000598,1
52,covalent,SING,C6,H39,,,,,12495,bmse000598,1
53,covalent,SING,C12,C15,,,,,12495,bmse000598,1
54,covalent,SING,C12,H50,,,,,12495,bmse000598,1
55,covalent,SING,C1,H26,,,,,12495,bmse000598,1
56,covalent,SING,C1,H25,,,,,12495,bmse000598,1
57,covalent,SING,C1,H27,,,,,12495,bmse000598,1
1,covalent,SING,O11,C7,,,,,12518,bmse000599,1
2,covalent,SING,O11,H25,,,,,12518,bmse000599,1
3,covalent,SING,C8,C10,,,,,12518,bmse000599,1
4,covalent,SING,C8,C1,,,,,12518,bmse000599,1
5,covalent,SING,C8,C2,,,,,12518,bmse000599,1
6,covalent,SING,C8,H24,,,,,12518,bmse000599,1
7,covalent,DOUB,C10,C5,,,,,12518,bmse000599,1
8,covalent,SING,C10,C6,,,,,12518,bmse000599,1
9,covalent,SING,C1,H12,,,,,12518,bmse000599,1
10,covalent,SING,C1,H14,,,,,12518,bmse000599,1
11,covalent,SING,C1,H13,,,,,12518,bmse000599,1
12,covalent,SING,C2,H17,,,,,12518,bmse000599,1
13,covalent,SING,C2,H15,,,,,12518,bmse000599,1
14,covalent,SING,C2,H16,,,,,12518,bmse000599,1
15,covalent,SING,C5,C3,,,,,12518,bmse000599,1
16,covalent,SING,C5,H20,,,,,12518,bmse000599,1
17,covalent,DOUB,C6,C4,,,,,12518,bmse000599,1
18,covalent,SING,C6,H21,,,,,12518,bmse000599,1
19,covalent,DOUB,C9,C3,,,,,12518,bmse000599,1
20,covalent,SING,C9,C4,,,,,12518,bmse000599,1
21,covalent,SING,C9,C7,,,,,12518,bmse000599,1
22,covalent,SING,C3,H18,,,,,12518,bmse000599,1
23,covalent,SING,C4,H19,,,,,12518,bmse000599,1
24,covalent,SING,C7,H22,,,,,12518,bmse000599,1
25,covalent,SING,C7,H23,,,,,12518,bmse000599,1
1,covalent,SING,O31,C29,,,,,12539,bmse000600,1
2,covalent,SING,O31,C28,,,,,12539,bmse000600,1
3,covalent,SING,O30,C27,,,,,12539,bmse000600,1
4,covalent,SING,O30,H81,,,,,12539,bmse000600,1
5,covalent,SING,C29,C18,,,,,12539,bmse000600,1
6,covalent,SING,C29,C19,,,,,12539,bmse000600,1
7,covalent,SING,C29,C8,,,,,12539,bmse000600,1
8,covalent,SING,C18,C11,,,,,12539,bmse000600,1
9,covalent,SING,C18,H74,,,,,12539,bmse000600,1
10,covalent,SING,C18,H75,,,,,12539,bmse000600,1
11,covalent,SING,C19,C17,,,,,12539,bmse000600,1
12,covalent,SING,C19,H76,,,,,12539,bmse000600,1
13,covalent,SING,C19,H77,,,,,12539,bmse000600,1
14,covalent,SING,C11,C16,,,,,12539,bmse000600,1
15,covalent,SING,C11,H60,,,,,12539,bmse000600,1
16,covalent,SING,C11,H61,,,,,12539,bmse000600,1
17,covalent,SING,C22,C16,,,,,12539,bmse000600,1
18,covalent,SING,C22,C15,,,,,12539,bmse000600,1
19,covalent,SING,C22,C4,,,,,12539,bmse000600,1
20,covalent,SING,C22,H80,,,,,12539,bmse000600,1
21,covalent,SING,C16,H70,,,,,12539,bmse000600,1
22,covalent,SING,C16,H71,,,,,12539,bmse000600,1
23,covalent,SING,C17,C26,,,,,12539,bmse000600,1
24,covalent,SING,C17,H72,,,,,12539,bmse000600,1
25,covalent,SING,C17,H73,,,,,12539,bmse000600,1
26,covalent,SING,C15,C10,,,,,12539,bmse000600,1
27,covalent,SING,C15,H68,,,,,12539,bmse000600,1
28,covalent,SING,C15,H69,,,,,12539,bmse000600,1
29,covalent,SING,C8,H53,,,,,12539,bmse000600,1
30,covalent,SING,C8,H54,,,,,12539,bmse000600,1
31,covalent,SING,C8,H55,,,,,12539,bmse000600,1
32,covalent,SING,C26,C28,,,,,12539,bmse000600,1
33,covalent,DOUB,C26,C25,,,,,12539,bmse000600,1
34,covalent,SING,C10,C14,,,,,12539,bmse000600,1
35,covalent,SING,C10,H58,,,,,12539,bmse000600,1
36,covalent,SING,C10,H59,,,,,12539,bmse000600,1
37,covalent,DOUB,C28,C24,,,,,12539,bmse000600,1
38,covalent,SING,C14,C21,,,,,12539,bmse000600,1
39,covalent,SING,C14,H66,,,,,12539,bmse000600,1
40,covalent,SING,C14,H67,,,,,12539,bmse000600,1
41,covalent,SING,C21,C13,,,,,12539,bmse000600,1
42,covalent,SING,C21,C3,,,,,12539,bmse000600,1
43,covalent,SING,C21,H79,,,,,12539,bmse000600,1
44,covalent,SING,C4,H42,,,,,12539,bmse000600,1
45,covalent,SING,C4,H41,,,,,12539,bmse000600,1
46,covalent,SING,C4,H43,,,,,12539,bmse000600,1
47,covalent,SING,C13,C9,,,,,12539,bmse000600,1
48,covalent,SING,C13,H64,,,,,12539,bmse000600,1
49,covalent,SING,C13,H65,,,,,12539,bmse000600,1
50,covalent,SING,C25,C27,,,,,12539,bmse000600,1
51,covalent,SING,C25,C7,,,,,12539,bmse000600,1
52,covalent,SING,C24,C23,,,,,12539,bmse000600,1
53,covalent,SING,C24,C6,,,,,12539,bmse000600,1
54,covalent,SING,C9,C12,,,,,12539,bmse000600,1
55,covalent,SING,C9,H56,,,,,12539,bmse000600,1
56,covalent,SING,C9,H57,,,,,12539,bmse000600,1
57,covalent,DOUB,C23,C27,,,,,12539,bmse000600,1
58,covalent,SING,C23,C5,,,,,12539,bmse000600,1
59,covalent,SING,C3,H38,,,,,12539,bmse000600,1
60,covalent,SING,C3,H40,,,,,12539,bmse000600,1
61,covalent,SING,C3,H39,,,,,12539,bmse000600,1
62,covalent,SING,C12,C20,,,,,12539,bmse000600,1
63,covalent,SING,C12,H62,,,,,12539,bmse000600,1
64,covalent,SING,C12,H63,,,,,12539,bmse000600,1
65,covalent,SING,C20,C1,,,,,12539,bmse000600,1
66,covalent,SING,C20,C2,,,,,12539,bmse000600,1
67,covalent,SING,C20,H78,,,,,12539,bmse000600,1
68,covalent,SING,C7,H51,,,,,12539,bmse000600,1
69,covalent,SING,C7,H52,,,,,12539,bmse000600,1
70,covalent,SING,C7,H50,,,,,12539,bmse000600,1
71,covalent,SING,C6,H48,,,,,12539,bmse000600,1
72,covalent,SING,C6,H49,,,,,12539,bmse000600,1
73,covalent,SING,C6,H47,,,,,12539,bmse000600,1
74,covalent,SING,C5,H44,,,,,12539,bmse000600,1
75,covalent,SING,C5,H45,,,,,12539,bmse000600,1
76,covalent,SING,C5,H46,,,,,12539,bmse000600,1
77,covalent,SING,C1,H32,,,,,12539,bmse000600,1
78,covalent,SING,C1,H33,,,,,12539,bmse000600,1
79,covalent,SING,C1,H34,,,,,12539,bmse000600,1
80,covalent,SING,C2,H37,,,,,12539,bmse000600,1
81,covalent,SING,C2,H35,,,,,12539,bmse000600,1
82,covalent,SING,C2,H36,,,,,12539,bmse000600,1
1,covalent,SING,O13,C10,,,,,12560,bmse000601,1
2,covalent,SING,O13,C1,,,,,12560,bmse000601,1
3,covalent,SING,O12,C9,,,,,12560,bmse000601,1
4,covalent,SING,O12,H23,,,,,12560,bmse000601,1
5,covalent,DOUB,O11,C6,,,,,12560,bmse000601,1
6,covalent,DOUB,C8,C7,,,,,12560,bmse000601,1
7,covalent,SING,C8,C4,,,,,12560,bmse000601,1
8,covalent,SING,C8,C3,,,,,12560,bmse000601,1
9,covalent,SING,C10,C7,,,,,12560,bmse000601,1
10,covalent,DOUB,C10,C9,,,,,12560,bmse000601,1
11,covalent,SING,C7,H22,,,,,12560,bmse000601,1
12,covalent,SING,C9,C5,,,,,12560,bmse000601,1
13,covalent,DOUB,C4,C5,,,,,12560,bmse000601,1
14,covalent,SING,C4,H19,,,,,12560,bmse000601,1
15,covalent,SING,C5,H20,,,,,12560,bmse000601,1
16,covalent,DOUB,C3,C2,,,,,12560,bmse000601,1
17,covalent,SING,C3,H18,,,,,12560,bmse000601,1
18,covalent,SING,C2,C6,,,,,12560,bmse000601,1
19,covalent,SING,C2,H17,,,,,12560,bmse000601,1
20,covalent,SING,C1,H16,,,,,12560,bmse000601,1
21,covalent,SING,C1,H15,,,,,12560,bmse000601,1
22,covalent,SING,C1,H14,,,,,12560,bmse000601,1
23,covalent,SING,C6,H21,,,,,12560,bmse000601,1
1,covalent,SING,O13,C10,,,,,12583,bmse000602,1
2,covalent,SING,O13,C1,,,,,12583,bmse000602,1
3,covalent,SING,O12,C9,,,,,12583,bmse000602,1
4,covalent,SING,O12,H25,,,,,12583,bmse000602,1
5,covalent,SING,O11,C6,,,,,12583,bmse000602,1
6,covalent,SING,O11,H24,,,,,12583,bmse000602,1
7,covalent,DOUB,C8,C7,,,,,12583,bmse000602,1
8,covalent,SING,C8,C4,,,,,12583,bmse000602,1
9,covalent,SING,C8,C3,,,,,12583,bmse000602,1
10,covalent,SING,C7,C10,,,,,12583,bmse000602,1
11,covalent,SING,C7,H23,,,,,12583,bmse000602,1
12,covalent,DOUB,C10,C9,,,,,12583,bmse000602,1
13,covalent,DOUB,C4,C5,,,,,12583,bmse000602,1
14,covalent,SING,C4,H19,,,,,12583,bmse000602,1
15,covalent,SING,C9,C5,,,,,12583,bmse000602,1
16,covalent,SING,C5,H20,,,,,12583,bmse000602,1
17,covalent,DOUB,C3,C2,,,,,12583,bmse000602,1
18,covalent,SING,C3,H18,,,,,12583,bmse000602,1
19,covalent,SING,C2,C6,,,,,12583,bmse000602,1
20,covalent,SING,C2,H17,,,,,12583,bmse000602,1
21,covalent,SING,C6,H21,,,,,12583,bmse000602,1
22,covalent,SING,C6,H22,,,,,12583,bmse000602,1
23,covalent,SING,C1,H16,,,,,12583,bmse000602,1
24,covalent,SING,C1,H15,,,,,12583,bmse000602,1
25,covalent,SING,C1,H14,,,,,12583,bmse000602,1
1,covalent,SING,O8,C7,,,,,12606,bmse000603,1
2,covalent,SING,O8,H21,,,,,12606,bmse000603,1
3,covalent,DOUB,O9,C7,,,,,12606,bmse000603,1
4,covalent,SING,C6,C4,,,,,12606,bmse000603,1
5,covalent,SING,C6,C5,,,,,12606,bmse000603,1
6,covalent,SING,C6,C7,,,,,12606,bmse000603,1
7,covalent,SING,C6,H20,,,,,12606,bmse000603,1
8,covalent,SING,C4,C2,,,,,12606,bmse000603,1
9,covalent,SING,C4,H16,,,,,12606,bmse000603,1
10,covalent,SING,C4,H17,,,,,12606,bmse000603,1
11,covalent,SING,C5,C3,,,,,12606,bmse000603,1
12,covalent,SING,C5,H18,,,,,12606,bmse000603,1
13,covalent,SING,C5,H19,,,,,12606,bmse000603,1
14,covalent,SING,C2,C1,,,,,12606,bmse000603,1
15,covalent,SING,C2,H12,,,,,12606,bmse000603,1
16,covalent,SING,C2,H13,,,,,12606,bmse000603,1
17,covalent,SING,C3,C1,,,,,12606,bmse000603,1
18,covalent,SING,C3,H14,,,,,12606,bmse000603,1
19,covalent,SING,C3,H15,,,,,12606,bmse000603,1
20,covalent,SING,C1,H10,,,,,12606,bmse000603,1
21,covalent,SING,C1,H11,,,,,12606,bmse000603,1
1,covalent,SING,O19,C18,,,,,12627,bmse000604,1
2,covalent,SING,O19,H52,,,,,12627,bmse000604,1
3,covalent,DOUB,O20,C18,,,,,12627,bmse000604,1
4,covalent,SING,C14,C13,,,,,12627,bmse000604,1
5,covalent,SING,C14,C15,,,,,12627,bmse000604,1
6,covalent,SING,C14,H44,,,,,12627,bmse000604,1
7,covalent,SING,C14,H45,,,,,12627,bmse000604,1
8,covalent,SING,C13,C12,,,,,12627,bmse000604,1
9,covalent,SING,C13,H42,,,,,12627,bmse000604,1
10,covalent,SING,C13,H43,,,,,12627,bmse000604,1
11,covalent,SING,C15,C16,,,,,12627,bmse000604,1
12,covalent,SING,C15,H46,,,,,12627,bmse000604,1
13,covalent,SING,C15,H47,,,,,12627,bmse000604,1
14,covalent,SING,C12,C11,,,,,12627,bmse000604,1
15,covalent,SING,C12,H40,,,,,12627,bmse000604,1
16,covalent,SING,C12,H41,,,,,12627,bmse000604,1
17,covalent,SING,C16,C17,,,,,12627,bmse000604,1
18,covalent,SING,C16,H48,,,,,12627,bmse000604,1
19,covalent,SING,C16,H49,,,,,12627,bmse000604,1
20,covalent,SING,C11,C10,,,,,12627,bmse000604,1
21,covalent,SING,C11,H38,,,,,12627,bmse000604,1
22,covalent,SING,C11,H39,,,,,12627,bmse000604,1
23,covalent,SING,C17,C18,,,,,12627,bmse000604,1
24,covalent,SING,C17,H50,,,,,12627,bmse000604,1
25,covalent,SING,C17,H51,,,,,12627,bmse000604,1
26,covalent,SING,C4,C3,,,,,12627,bmse000604,1
27,covalent,SING,C4,C5,,,,,12627,bmse000604,1
28,covalent,SING,C4,H28,,,,,12627,bmse000604,1
29,covalent,SING,C4,H29,,,,,12627,bmse000604,1
30,covalent,SING,C3,C2,,,,,12627,bmse000604,1
31,covalent,SING,C3,H26,,,,,12627,bmse000604,1
32,covalent,SING,C3,H27,,,,,12627,bmse000604,1
33,covalent,DOUB,C10,C9,,,,,12627,bmse000604,1
34,covalent,SING,C10,H37,,,,,12627,bmse000604,1
35,covalent,SING,C5,C6,,,,,12627,bmse000604,1
36,covalent,SING,C5,H30,,,,,12627,bmse000604,1
37,covalent,SING,C5,H31,,,,,12627,bmse000604,1
38,covalent,SING,C2,C1,,,,,12627,bmse000604,1
39,covalent,SING,C2,H24,,,,,12627,bmse000604,1
40,covalent,SING,C2,H25,,,,,12627,bmse000604,1
41,covalent,SING,C9,C8,,,,,12627,bmse000604,1
42,covalent,SING,C9,H36,,,,,12627,bmse000604,1
43,covalent,SING,C8,C7,,,,,12627,bmse000604,1
44,covalent,SING,C8,H34,,,,,12627,bmse000604,1
45,covalent,SING,C8,H35,,,,,12627,bmse000604,1
46,covalent,DOUB,C6,C7,,,,,12627,bmse000604,1
47,covalent,SING,C6,H32,,,,,12627,bmse000604,1
48,covalent,SING,C7,H33,,,,,12627,bmse000604,1
49,covalent,SING,C1,H21,,,,,12627,bmse000604,1
50,covalent,SING,C1,H22,,,,,12627,bmse000604,1
51,covalent,SING,C1,H23,,,,,12627,bmse000604,1
1,covalent,SING,O11,C9,,,,,12649,bmse000605,1
2,covalent,SING,O11,H23,,,,,12649,bmse000605,1
3,covalent,SING,O13,C10,,,,,12649,bmse000605,1
4,covalent,SING,O13,C1,,,,,12649,bmse000605,1
5,covalent,DOUB,O12,C10,,,,,12649,bmse000605,1
6,covalent,DOUB,C8,C2,,,,,12649,bmse000605,1
7,covalent,SING,C8,C3,,,,,12649,bmse000605,1
8,covalent,SING,C8,C4,,,,,12649,bmse000605,1
9,covalent,SING,C2,C5,,,,,12649,bmse000605,1
10,covalent,SING,C2,H17,,,,,12649,bmse000605,1
11,covalent,DOUB,C3,C6,,,,,12649,bmse000605,1
12,covalent,SING,C3,H18,,,,,12649,bmse000605,1
13,covalent,DOUB,C5,C9,,,,,12649,bmse000605,1
14,covalent,SING,C5,H20,,,,,12649,bmse000605,1
15,covalent,SING,C6,C9,,,,,12649,bmse000605,1
16,covalent,SING,C6,H21,,,,,12649,bmse000605,1
17,covalent,DOUB,C4,C7,,,,,12649,bmse000605,1
18,covalent,SING,C4,H19,,,,,12649,bmse000605,1
19,covalent,SING,C7,C10,,,,,12649,bmse000605,1
20,covalent,SING,C7,H22,,,,,12649,bmse000605,1
21,covalent,SING,C1,H14,,,,,12649,bmse000605,1
22,covalent,SING,C1,H15,,,,,12649,bmse000605,1
23,covalent,SING,C1,H16,,,,,12649,bmse000605,1
1,covalent,SING,O14,C9,,,,,12672,bmse000606,1
2,covalent,SING,O14,C1,,,,,12672,bmse000606,1
3,covalent,SING,O15,C10,,,,,12672,bmse000606,1
4,covalent,SING,O15,C2,,,,,12672,bmse000606,1
5,covalent,SING,O13,C11,,,,,12672,bmse000606,1
6,covalent,SING,O13,H27,,,,,12672,bmse000606,1
7,covalent,DOUB,O12,C5,,,,,12672,bmse000606,1
8,covalent,DOUB,C8,C6,,,,,12672,bmse000606,1
9,covalent,SING,C8,C7,,,,,12672,bmse000606,1
10,covalent,SING,C8,C4,,,,,12672,bmse000606,1
11,covalent,DOUB,C9,C11,,,,,12672,bmse000606,1
12,covalent,SING,C9,C6,,,,,12672,bmse000606,1
13,covalent,SING,C10,C11,,,,,12672,bmse000606,1
14,covalent,DOUB,C10,C7,,,,,12672,bmse000606,1
15,covalent,SING,C6,H25,,,,,12672,bmse000606,1
16,covalent,SING,C7,H26,,,,,12672,bmse000606,1
17,covalent,DOUB,C4,C3,,,,,12672,bmse000606,1
18,covalent,SING,C4,H23,,,,,12672,bmse000606,1
19,covalent,SING,C3,C5,,,,,12672,bmse000606,1
20,covalent,SING,C3,H22,,,,,12672,bmse000606,1
21,covalent,SING,C1,H18,,,,,12672,bmse000606,1
22,covalent,SING,C1,H17,,,,,12672,bmse000606,1
23,covalent,SING,C1,H16,,,,,12672,bmse000606,1
24,covalent,SING,C2,H20,,,,,12672,bmse000606,1
25,covalent,SING,C2,H19,,,,,12672,bmse000606,1
26,covalent,SING,C2,H21,,,,,12672,bmse000606,1
27,covalent,SING,C5,H24,,,,,12672,bmse000606,1
1,covalent,SING,O13,C6,,,,,12695,bmse000607,1
2,covalent,SING,O13,C1,,,,,12695,bmse000607,1
3,covalent,SING,O14,C7,,,,,12695,bmse000607,1
4,covalent,SING,O14,C2,,,,,12695,bmse000607,1
5,covalent,SING,O10,C8,,,,,12695,bmse000607,1
6,covalent,SING,O10,H23,,,,,12695,bmse000607,1
7,covalent,SING,O11,C9,,,,,12695,bmse000607,1
8,covalent,SING,O11,H24,,,,,12695,bmse000607,1
9,covalent,DOUB,O12,C9,,,,,12695,bmse000607,1
10,covalent,DOUB,C6,C8,,,,,12695,bmse000607,1
11,covalent,SING,C6,C3,,,,,12695,bmse000607,1
12,covalent,SING,C7,C8,,,,,12695,bmse000607,1
13,covalent,DOUB,C7,C4,,,,,12695,bmse000607,1
14,covalent,DOUB,C5,C3,,,,,12695,bmse000607,1
15,covalent,SING,C5,C4,,,,,12695,bmse000607,1
16,covalent,SING,C5,C9,,,,,12695,bmse000607,1
17,covalent,SING,C3,H21,,,,,12695,bmse000607,1
18,covalent,SING,C4,H22,,,,,12695,bmse000607,1
19,covalent,SING,C1,H17,,,,,12695,bmse000607,1
20,covalent,SING,C1,H15,,,,,12695,bmse000607,1
21,covalent,SING,C1,H16,,,,,12695,bmse000607,1
22,covalent,SING,C2,H20,,,,,12695,bmse000607,1
23,covalent,SING,C2,H18,,,,,12695,bmse000607,1
24,covalent,SING,C2,H19,,,,,12695,bmse000607,1
1,covalent,SING,O24,C12,,,,,12718,bmse000608,1
2,covalent,SING,O24,C16,,,,,12718,bmse000608,1
3,covalent,SING,C16,O23,,,,,12718,bmse000608,1
4,covalent,SING,O23,C10,,,,,12718,bmse000608,1
5,covalent,SING,C14,O20,,,,,12718,bmse000608,1
6,covalent,SING,O20,H45,,,,,12718,bmse000608,1
7,covalent,SING,C13,O19,,,,,12718,bmse000608,1
8,covalent,SING,O19,H44,,,,,12718,bmse000608,1
9,covalent,SING,C15,O21,,,,,12718,bmse000608,1
10,covalent,SING,O21,H46,,,,,12718,bmse000608,1
11,covalent,SING,O18,C8,,,,,12718,bmse000608,1
12,covalent,SING,O18,H43,,,,,12718,bmse000608,1
13,covalent,SING,O22,C11,,,,,12718,bmse000608,1
14,covalent,SING,O22,C1,,,,,12718,bmse000608,1
15,covalent,SING,O17,C6,,,,,12718,bmse000608,1
16,covalent,SING,O17,H42,,,,,12718,bmse000608,1
17,covalent,SING,C14,C13,,,,,12718,bmse000608,1
18,covalent,SING,C14,C15,,,,,12718,bmse000608,1
19,covalent,SING,C14,H39,,,,,12718,bmse000608,1
20,covalent,SING,C13,C12,,,,,12718,bmse000608,1
21,covalent,SING,C13,H38,,,,,12718,bmse000608,1
22,covalent,SING,C15,C16,,,,,12718,bmse000608,1
23,covalent,SING,C15,H40,,,,,12718,bmse000608,1
24,covalent,SING,C12,C8,,,,,12718,bmse000608,1
25,covalent,SING,C12,H37,,,,,12718,bmse000608,1
26,covalent,SING,C16,H41,,,,,12718,bmse000608,1
27,covalent,SING,C8,H35,,,,,12718,bmse000608,1
28,covalent,SING,C8,H36,,,,,12718,bmse000608,1
29,covalent,DOUB,C10,C11,,,,,12718,bmse000608,1
30,covalent,SING,C10,C5,,,,,12718,bmse000608,1
31,covalent,SING,C11,C7,,,,,12718,bmse000608,1
32,covalent,DOUB,C5,C4,,,,,12718,bmse000608,1
33,covalent,SING,C5,H31,,,,,12718,bmse000608,1
34,covalent,DOUB,C7,C9,,,,,12718,bmse000608,1
35,covalent,SING,C7,H34,,,,,12718,bmse000608,1
36,covalent,SING,C4,C9,,,,,12718,bmse000608,1
37,covalent,SING,C4,H30,,,,,12718,bmse000608,1
38,covalent,SING,C9,C3,,,,,12718,bmse000608,1
39,covalent,DOUB,C3,C2,,,,,12718,bmse000608,1
40,covalent,SING,C3,H29,,,,,12718,bmse000608,1
41,covalent,SING,C1,H26,,,,,12718,bmse000608,1
42,covalent,SING,C1,H27,,,,,12718,bmse000608,1
43,covalent,SING,C1,H25,,,,,12718,bmse000608,1
44,covalent,SING,C2,C6,,,,,12718,bmse000608,1
45,covalent,SING,C2,H28,,,,,12718,bmse000608,1
46,covalent,SING,C6,H32,,,,,12718,bmse000608,1
47,covalent,SING,C6,H33,,,,,12718,bmse000608,1
1,covalent,SING,O14,C10,,,,,12739,bmse000609,1
2,covalent,SING,O14,C1,,,,,12739,bmse000609,1
3,covalent,SING,O12,C9,,,,,12739,bmse000609,1
4,covalent,SING,O12,H27,,,,,12739,bmse000609,1
5,covalent,SING,O15,C11,,,,,12739,bmse000609,1
6,covalent,SING,O15,C2,,,,,12739,bmse000609,1
7,covalent,DOUB,O13,C11,,,,,12739,bmse000609,1
8,covalent,DOUB,C8,C7,,,,,12739,bmse000609,1
9,covalent,SING,C8,C3,,,,,12739,bmse000609,1
10,covalent,SING,C8,C4,,,,,12739,bmse000609,1
11,covalent,SING,C10,C7,,,,,12739,bmse000609,1
12,covalent,DOUB,C10,C9,,,,,12739,bmse000609,1
13,covalent,SING,C7,H26,,,,,12739,bmse000609,1
14,covalent,DOUB,C3,C5,,,,,12739,bmse000609,1
15,covalent,SING,C3,H22,,,,,12739,bmse000609,1
16,covalent,SING,C9,C5,,,,,12739,bmse000609,1
17,covalent,SING,C5,H24,,,,,12739,bmse000609,1
18,covalent,DOUB,C4,C6,,,,,12739,bmse000609,1
19,covalent,SING,C4,H23,,,,,12739,bmse000609,1
20,covalent,SING,C6,C11,,,,,12739,bmse000609,1
21,covalent,SING,C6,H25,,,,,12739,bmse000609,1
22,covalent,SING,C1,H18,,,,,12739,bmse000609,1
23,covalent,SING,C1,H17,,,,,12739,bmse000609,1
24,covalent,SING,C1,H16,,,,,12739,bmse000609,1
25,covalent,SING,C2,H19,,,,,12739,bmse000609,1
26,covalent,SING,C2,H20,,,,,12739,bmse000609,1
27,covalent,SING,C2,H21,,,,,12739,bmse000609,1
1,covalent,SING,O7,C4,,,,,12761,bmse000610,1
2,covalent,SING,O7,H15,,,,,12761,bmse000610,1
3,covalent,DOUB,O6,C3,,,,,12761,bmse000610,1
4,covalent,DOUB,O8,C4,,,,,12761,bmse000610,1
5,covalent,SING,N5,C2,,,,,12761,bmse000610,1
6,covalent,SING,N5,C3,,,,,12761,bmse000610,1
7,covalent,SING,N5,H14,,,,,12761,bmse000610,1
8,covalent,SING,C2,C4,,,,,12761,bmse000610,1
9,covalent,SING,C2,H12,,,,,12761,bmse000610,1
10,covalent,SING,C2,H13,,,,,12761,bmse000610,1
11,covalent,SING,C3,C1,,,,,12761,bmse000610,1
12,covalent,SING,C1,H10,,,,,12761,bmse000610,1
13,covalent,SING,C1,H11,,,,,12761,bmse000610,1
14,covalent,SING,C1,H9,,,,,12761,bmse000610,1
1,covalent,SING,O11,C9,,,,,12781,bmse000611,1
2,covalent,SING,O11,H19,,,,,12781,bmse000611,1
3,covalent,DOUB,O10,C7,,,,,12781,bmse000611,1
4,covalent,DOUB,C8,C3,,,,,12781,bmse000611,1
5,covalent,SING,C8,C4,,,,,12781,bmse000611,1
6,covalent,SING,C8,C2,,,,,12781,bmse000611,1
7,covalent,SING,C3,C5,,,,,12781,bmse000611,1
8,covalent,SING,C3,H14,,,,,12781,bmse000611,1
9,covalent,DOUB,C4,C6,,,,,12781,bmse000611,1
10,covalent,SING,C4,H15,,,,,12781,bmse000611,1
11,covalent,DOUB,C5,C9,,,,,12781,bmse000611,1
12,covalent,SING,C5,H16,,,,,12781,bmse000611,1
13,covalent,SING,C6,C9,,,,,12781,bmse000611,1
14,covalent,SING,C6,H17,,,,,12781,bmse000611,1
15,covalent,DOUB,C2,C1,,,,,12781,bmse000611,1
16,covalent,SING,C2,H13,,,,,12781,bmse000611,1
17,covalent,SING,C1,C7,,,,,12781,bmse000611,1
18,covalent,SING,C1,H12,,,,,12781,bmse000611,1
19,covalent,SING,C7,H18,,,,,12781,bmse000611,1
1,covalent,SING,O14,C9,,,,,12803,bmse000612,1
2,covalent,SING,O14,C1,,,,,12803,bmse000612,1
3,covalent,SING,O15,C10,,,,,12803,bmse000612,1
4,covalent,SING,O15,C2,,,,,12803,bmse000612,1
5,covalent,SING,O13,C11,,,,,12803,bmse000612,1
6,covalent,SING,O13,H29,,,,,12803,bmse000612,1
7,covalent,SING,O12,C5,,,,,12803,bmse000612,1
8,covalent,SING,O12,H28,,,,,12803,bmse000612,1
9,covalent,DOUB,C8,C7,,,,,12803,bmse000612,1
10,covalent,SING,C8,C6,,,,,12803,bmse000612,1
11,covalent,SING,C8,C4,,,,,12803,bmse000612,1
12,covalent,DOUB,C9,C6,,,,,12803,bmse000612,1
13,covalent,SING,C9,C11,,,,,12803,bmse000612,1
14,covalent,SING,C10,C7,,,,,12803,bmse000612,1
15,covalent,DOUB,C10,C11,,,,,12803,bmse000612,1
16,covalent,SING,C7,H27,,,,,12803,bmse000612,1
17,covalent,SING,C6,H26,,,,,12803,bmse000612,1
18,covalent,DOUB,C4,C3,,,,,12803,bmse000612,1
19,covalent,SING,C4,H23,,,,,12803,bmse000612,1
20,covalent,SING,C3,C5,,,,,12803,bmse000612,1
21,covalent,SING,C3,H22,,,,,12803,bmse000612,1
22,covalent,SING,C5,H24,,,,,12803,bmse000612,1
23,covalent,SING,C5,H25,,,,,12803,bmse000612,1
24,covalent,SING,C1,H16,,,,,12803,bmse000612,1
25,covalent,SING,C1,H18,,,,,12803,bmse000612,1
26,covalent,SING,C1,H17,,,,,12803,bmse000612,1
27,covalent,SING,C2,H21,,,,,12803,bmse000612,1
28,covalent,SING,C2,H20,,,,,12803,bmse000612,1
29,covalent,SING,C2,H19,,,,,12803,bmse000612,1
1,covalent,SING,O25,C12,,,,,12824,bmse000613,1
2,covalent,SING,O25,C17,,,,,12824,bmse000613,1
3,covalent,SING,C17,O26,,,,,12824,bmse000613,1
4,covalent,SING,O26,C16,,,,,12824,bmse000613,1
5,covalent,SING,C14,O21,,,,,12824,bmse000613,1
6,covalent,SING,O21,H49,,,,,12824,bmse000613,1
7,covalent,SING,C13,O20,,,,,12824,bmse000613,1
8,covalent,SING,O20,H48,,,,,12824,bmse000613,1
9,covalent,SING,C15,O22,,,,,12824,bmse000613,1
10,covalent,SING,O22,H50,,,,,12824,bmse000613,1
11,covalent,SING,O19,C8,,,,,12824,bmse000613,1
12,covalent,SING,O19,H47,,,,,12824,bmse000613,1
13,covalent,SING,O23,C10,,,,,12824,bmse000613,1
14,covalent,SING,O23,C1,,,,,12824,bmse000613,1
15,covalent,SING,O24,C11,,,,,12824,bmse000613,1
16,covalent,SING,O24,C2,,,,,12824,bmse000613,1
17,covalent,SING,O18,C5,,,,,12824,bmse000613,1
18,covalent,SING,O18,H46,,,,,12824,bmse000613,1
19,covalent,SING,C14,C13,,,,,12824,bmse000613,1
20,covalent,SING,C14,C15,,,,,12824,bmse000613,1
21,covalent,SING,C14,H43,,,,,12824,bmse000613,1
22,covalent,SING,C13,C12,,,,,12824,bmse000613,1
23,covalent,SING,C13,H42,,,,,12824,bmse000613,1
24,covalent,SING,C15,C17,,,,,12824,bmse000613,1
25,covalent,SING,C15,H44,,,,,12824,bmse000613,1
26,covalent,SING,C12,C8,,,,,12824,bmse000613,1
27,covalent,SING,C12,H41,,,,,12824,bmse000613,1
28,covalent,SING,C17,H45,,,,,12824,bmse000613,1
29,covalent,SING,C8,H39,,,,,12824,bmse000613,1
30,covalent,SING,C8,H40,,,,,12824,bmse000613,1
31,covalent,DOUB,C16,C10,,,,,12824,bmse000613,1
32,covalent,SING,C16,C11,,,,,12824,bmse000613,1
33,covalent,SING,C10,C6,,,,,12824,bmse000613,1
34,covalent,DOUB,C11,C7,,,,,12824,bmse000613,1
35,covalent,DOUB,C6,C9,,,,,12824,bmse000613,1
36,covalent,SING,C6,H37,,,,,12824,bmse000613,1
37,covalent,SING,C7,C9,,,,,12824,bmse000613,1
38,covalent,SING,C7,H38,,,,,12824,bmse000613,1
39,covalent,SING,C9,C4,,,,,12824,bmse000613,1
40,covalent,DOUB,C4,C3,,,,,12824,bmse000613,1
41,covalent,SING,C4,H34,,,,,12824,bmse000613,1
42,covalent,SING,C1,H28,,,,,12824,bmse000613,1
43,covalent,SING,C1,H29,,,,,12824,bmse000613,1
44,covalent,SING,C1,H27,,,,,12824,bmse000613,1
45,covalent,SING,C2,H32,,,,,12824,bmse000613,1
46,covalent,SING,C2,H30,,,,,12824,bmse000613,1
47,covalent,SING,C2,H31,,,,,12824,bmse000613,1
48,covalent,SING,C3,C5,,,,,12824,bmse000613,1
49,covalent,SING,C3,H33,,,,,12824,bmse000613,1
50,covalent,SING,C5,H35,,,,,12824,bmse000613,1
51,covalent,SING,C5,H36,,,,,12824,bmse000613,1
1,covalent,SING,O12,C7,,,,,12845,bmse000614,1
2,covalent,SING,O12,C1,,,,,12845,bmse000614,1
3,covalent,SING,O9,C6,,,,,12845,bmse000614,1
4,covalent,SING,O9,H19,,,,,12845,bmse000614,1
5,covalent,SING,O10,C8,,,,,12845,bmse000614,1
6,covalent,SING,O10,H20,,,,,12845,bmse000614,1
7,covalent,DOUB,O11,C8,,,,,12845,bmse000614,1
8,covalent,SING,C7,C4,,,,,12845,bmse000614,1
9,covalent,DOUB,C7,C6,,,,,12845,bmse000614,1
10,covalent,DOUB,C5,C4,,,,,12845,bmse000614,1
11,covalent,SING,C5,C2,,,,,12845,bmse000614,1
12,covalent,SING,C5,C8,,,,,12845,bmse000614,1
13,covalent,SING,C4,H18,,,,,12845,bmse000614,1
14,covalent,SING,C6,C3,,,,,12845,bmse000614,1
15,covalent,DOUB,C2,C3,,,,,12845,bmse000614,1
16,covalent,SING,C2,H16,,,,,12845,bmse000614,1
17,covalent,SING,C3,H17,,,,,12845,bmse000614,1
18,covalent,SING,C1,H15,,,,,12845,bmse000614,1
19,covalent,SING,C1,H14,,,,,12845,bmse000614,1
20,covalent,SING,C1,H13,,,,,12845,bmse000614,1
1,covalent,SING,O12,C5,,,,,12867,bmse000615,1
2,covalent,SING,O12,C3,,,,,12867,bmse000615,1
3,covalent,DOUB,O11,C7,,,,,12867,bmse000615,1
4,covalent,SING,O9,C6,,,,,12867,bmse000615,1
5,covalent,SING,O9,H19,,,,,12867,bmse000615,1
6,covalent,DOUB,O10,C6,,,,,12867,bmse000615,1
7,covalent,SING,N8,C4,,,,,12867,bmse000615,1
8,covalent,SING,N8,C7,,,,,12867,bmse000615,1
9,covalent,SING,N8,H18,,,,,12867,bmse000615,1
10,covalent,SING,C5,C7,,,,,12867,bmse000615,1
11,covalent,DOUB,C5,C2,,,,,12867,bmse000615,1
12,covalent,SING,C4,C6,,,,,12867,bmse000615,1
13,covalent,SING,C4,H16,,,,,12867,bmse000615,1
14,covalent,SING,C4,H17,,,,,12867,bmse000615,1
15,covalent,SING,C2,C1,,,,,12867,bmse000615,1
16,covalent,SING,C2,H14,,,,,12867,bmse000615,1
17,covalent,DOUB,C1,C3,,,,,12867,bmse000615,1
18,covalent,SING,C1,H13,,,,,12867,bmse000615,1
19,covalent,SING,C3,H15,,,,,12867,bmse000615,1
1,covalent,SING,O9,C8,,,,,12889,bmse000616,1
2,covalent,SING,O9,H24,,,,,12889,bmse000616,1
3,covalent,DOUB,O10,C8,,,,,12889,bmse000616,1
4,covalent,SING,C3,C4,,,,,12889,bmse000616,1
5,covalent,SING,C3,C2,,,,,12889,bmse000616,1
6,covalent,SING,C3,H16,,,,,12889,bmse000616,1
7,covalent,SING,C3,H17,,,,,12889,bmse000616,1
8,covalent,SING,C4,C5,,,,,12889,bmse000616,1
9,covalent,SING,C4,H18,,,,,12889,bmse000616,1
10,covalent,SING,C4,H19,,,,,12889,bmse000616,1
11,covalent,SING,C2,C1,,,,,12889,bmse000616,1
12,covalent,SING,C2,H14,,,,,12889,bmse000616,1
13,covalent,SING,C2,H15,,,,,12889,bmse000616,1
14,covalent,SING,C5,C6,,,,,12889,bmse000616,1
15,covalent,SING,C5,H20,,,,,12889,bmse000616,1
16,covalent,SING,C5,H21,,,,,12889,bmse000616,1
17,covalent,SING,C1,H13,,,,,12889,bmse000616,1
18,covalent,SING,C1,H11,,,,,12889,bmse000616,1
19,covalent,SING,C1,H12,,,,,12889,bmse000616,1
20,covalent,DOUB,C6,C7,,,,,12889,bmse000616,1
21,covalent,SING,C6,H22,,,,,12889,bmse000616,1
22,covalent,SING,C7,C8,,,,,12889,bmse000616,1
23,covalent,SING,C7,H23,,,,,12889,bmse000616,1
1,covalent,SING,O11,C10,,,,,12912,bmse000617,1
2,covalent,SING,O11,H24,,,,,12912,bmse000617,1
3,covalent,DOUB,O12,C10,,,,,12912,bmse000617,1
4,covalent,SING,C9,C2,,,,,12912,bmse000617,1
5,covalent,SING,C9,C8,,,,,12912,bmse000617,1
6,covalent,SING,C9,C10,,,,,12912,bmse000617,1
7,covalent,SING,C9,H23,,,,,12912,bmse000617,1
8,covalent,SING,C2,C1,,,,,12912,bmse000617,1
9,covalent,SING,C2,H16,,,,,12912,bmse000617,1
10,covalent,SING,C2,H17,,,,,12912,bmse000617,1
11,covalent,DOUB,C8,C6,,,,,12912,bmse000617,1
12,covalent,SING,C8,C7,,,,,12912,bmse000617,1
13,covalent,SING,C1,H14,,,,,12912,bmse000617,1
14,covalent,SING,C1,H15,,,,,12912,bmse000617,1
15,covalent,SING,C1,H13,,,,,12912,bmse000617,1
16,covalent,SING,C6,C4,,,,,12912,bmse000617,1
17,covalent,SING,C6,H21,,,,,12912,bmse000617,1
18,covalent,DOUB,C7,C5,,,,,12912,bmse000617,1
19,covalent,SING,C7,H22,,,,,12912,bmse000617,1
20,covalent,DOUB,C4,C3,,,,,12912,bmse000617,1
21,covalent,SING,C4,H19,,,,,12912,bmse000617,1
22,covalent,SING,C5,C3,,,,,12912,bmse000617,1
23,covalent,SING,C5,H20,,,,,12912,bmse000617,1
24,covalent,SING,C3,H18,,,,,12912,bmse000617,1
1,covalent,SING,O14,C9,,,,,12934,bmse000618,1
2,covalent,SING,O14,C1,,,,,12934,bmse000618,1
3,covalent,SING,O11,C8,,,,,12934,bmse000618,1
4,covalent,SING,O11,H23,,,,,12934,bmse000618,1
5,covalent,SING,O12,C10,,,,,12934,bmse000618,1
6,covalent,SING,O12,H24,,,,,12934,bmse000618,1
7,covalent,DOUB,O13,C10,,,,,12934,bmse000618,1
8,covalent,DOUB,C7,C6,,,,,12934,bmse000618,1
9,covalent,SING,C7,C2,,,,,12934,bmse000618,1
10,covalent,SING,C7,C3,,,,,12934,bmse000618,1
11,covalent,DOUB,C9,C8,,,,,12934,bmse000618,1
12,covalent,SING,C9,C4,,,,,12934,bmse000618,1
13,covalent,SING,C6,C8,,,,,12934,bmse000618,1
14,covalent,SING,C6,H22,,,,,12934,bmse000618,1
15,covalent,DOUB,C2,C4,,,,,12934,bmse000618,1
16,covalent,SING,C2,H18,,,,,12934,bmse000618,1
17,covalent,SING,C4,H20,,,,,12934,bmse000618,1
18,covalent,DOUB,C3,C5,,,,,12934,bmse000618,1
19,covalent,SING,C3,H19,,,,,12934,bmse000618,1
20,covalent,SING,C5,C10,,,,,12934,bmse000618,1
21,covalent,SING,C5,H21,,,,,12934,bmse000618,1
22,covalent,SING,C1,H15,,,,,12934,bmse000618,1
23,covalent,SING,C1,H16,,,,,12934,bmse000618,1
24,covalent,SING,C1,H17,,,,,12934,bmse000618,1
1,covalent,SING,O10,C7,,,,,12957,bmse000619,1
2,covalent,SING,O10,H23,,,,,12957,bmse000619,1
3,covalent,SING,O8,C6,,,,,12957,bmse000619,1
4,covalent,SING,O8,H22,,,,,12957,bmse000619,1
5,covalent,DOUB,O11,C7,,,,,12957,bmse000619,1
6,covalent,DOUB,O9,C6,,,,,12957,bmse000619,1
7,covalent,SING,C5,C2,,,,,12957,bmse000619,1
8,covalent,SING,C5,C4,,,,,12957,bmse000619,1
9,covalent,SING,C5,C1,,,,,12957,bmse000619,1
10,covalent,SING,C5,H21,,,,,12957,bmse000619,1
11,covalent,SING,C2,C3,,,,,12957,bmse000619,1
12,covalent,SING,C2,H15,,,,,12957,bmse000619,1
13,covalent,SING,C2,H16,,,,,12957,bmse000619,1
14,covalent,SING,C4,C7,,,,,12957,bmse000619,1
15,covalent,SING,C4,H19,,,,,12957,bmse000619,1
16,covalent,SING,C4,H20,,,,,12957,bmse000619,1
17,covalent,SING,C1,H12,,,,,12957,bmse000619,1
18,covalent,SING,C1,H13,,,,,12957,bmse000619,1
19,covalent,SING,C1,H14,,,,,12957,bmse000619,1
20,covalent,SING,C3,C6,,,,,12957,bmse000619,1
21,covalent,SING,C3,H17,,,,,12957,bmse000619,1
22,covalent,SING,C3,H18,,,,,12957,bmse000619,1
1,covalent,SING,O9,C7,,,,,12980,bmse000620,1
2,covalent,SING,O9,H18,,,,,12980,bmse000620,1
3,covalent,SING,O10,C8,,,,,12980,bmse000620,1
4,covalent,SING,O10,H19,,,,,12980,bmse000620,1
5,covalent,DOUB,O11,C8,,,,,12980,bmse000620,1
6,covalent,SING,C5,C7,,,,,12980,bmse000620,1
7,covalent,DOUB,C5,C3,,,,,12980,bmse000620,1
8,covalent,SING,C5,C1,,,,,12980,bmse000620,1
9,covalent,DOUB,C7,C6,,,,,12980,bmse000620,1
10,covalent,SING,C6,C4,,,,,12980,bmse000620,1
11,covalent,SING,C6,C8,,,,,12980,bmse000620,1
12,covalent,SING,C3,C2,,,,,12980,bmse000620,1
13,covalent,SING,C3,H16,,,,,12980,bmse000620,1
14,covalent,DOUB,C4,C2,,,,,12980,bmse000620,1
15,covalent,SING,C4,H17,,,,,12980,bmse000620,1
16,covalent,SING,C2,H15,,,,,12980,bmse000620,1
17,covalent,SING,C1,H14,,,,,12980,bmse000620,1
18,covalent,SING,C1,H13,,,,,12980,bmse000620,1
19,covalent,SING,C1,H12,,,,,12980,bmse000620,1
1,covalent,SING,O9,N8,,,,,13003,bmse000621,1
2,covalent,SING,O9,H15,,,,,13003,bmse000621,1
3,covalent,SING,N7,C4,,,,,13003,bmse000621,1
4,covalent,DOUB,N7,C3,,,,,13003,bmse000621,1
5,covalent,DOUB,N8,C5,,,,,13003,bmse000621,1
6,covalent,SING,C6,C2,,,,,13003,bmse000621,1
7,covalent,DOUB,C6,C4,,,,,13003,bmse000621,1
8,covalent,SING,C6,C5,,,,,13003,bmse000621,1
9,covalent,DOUB,C2,C1,,,,,13003,bmse000621,1
10,covalent,SING,C2,H11,,,,,13003,bmse000621,1
11,covalent,SING,C4,H13,,,,,13003,bmse000621,1
12,covalent,SING,C1,C3,,,,,13003,bmse000621,1
13,covalent,SING,C1,H10,,,,,13003,bmse000621,1
14,covalent,SING,C3,H12,,,,,13003,bmse000621,1
15,covalent,SING,C5,H14,,,,,13003,bmse000621,1
1,covalent,SING,N8,C5,,,,,13025,bmse000622,1
2,covalent,DOUB,N8,C3,,,,,13025,bmse000622,1
3,covalent,TRIP,N7,C4,,,,,13025,bmse000622,1
4,covalent,SING,C6,C2,,,,,13025,bmse000622,1
5,covalent,DOUB,C6,C5,,,,,13025,bmse000622,1
6,covalent,SING,C6,C4,,,,,13025,bmse000622,1
7,covalent,DOUB,C2,C1,,,,,13025,bmse000622,1
8,covalent,SING,C2,H10,,,,,13025,bmse000622,1
9,covalent,SING,C1,C3,,,,,13025,bmse000622,1
10,covalent,SING,C1,H9,,,,,13025,bmse000622,1
11,covalent,SING,C5,H12,,,,,13025,bmse000622,1
12,covalent,SING,C3,H11,,,,,13025,bmse000622,1
1,covalent,SING,O8,C5,,,,,13047,bmse000623,1
2,covalent,SING,O8,H16,,,,,13047,bmse000623,1
3,covalent,SING,O9,C7,,,,,13047,bmse000623,1
4,covalent,SING,O9,H17,,,,,13047,bmse000623,1
5,covalent,DOUB,C6,C1,,,,,13047,bmse000623,1
6,covalent,SING,C6,C2,,,,,13047,bmse000623,1
7,covalent,SING,C6,C5,,,,,13047,bmse000623,1
8,covalent,SING,C1,C3,,,,,13047,bmse000623,1
9,covalent,SING,C1,H10,,,,,13047,bmse000623,1
10,covalent,DOUB,C2,C4,,,,,13047,bmse000623,1
11,covalent,SING,C2,H11,,,,,13047,bmse000623,1
12,covalent,SING,C5,H14,,,,,13047,bmse000623,1
13,covalent,SING,C5,H15,,,,,13047,bmse000623,1
14,covalent,DOUB,C3,C7,,,,,13047,bmse000623,1
15,covalent,SING,C3,H12,,,,,13047,bmse000623,1
16,covalent,SING,C4,C7,,,,,13047,bmse000623,1
17,covalent,SING,C4,H13,,,,,13047,bmse000623,1
1,covalent,SING,O9,C7,,,,,13069,bmse000624,1
2,covalent,SING,O9,H18,,,,,13069,bmse000624,1
3,covalent,SING,O10,C8,,,,,13069,bmse000624,1
4,covalent,SING,O10,H19,,,,,13069,bmse000624,1
5,covalent,DOUB,O11,C8,,,,,13069,bmse000624,1
6,covalent,DOUB,C5,C4,,,,,13069,bmse000624,1
7,covalent,SING,C5,C2,,,,,13069,bmse000624,1
8,covalent,SING,C5,C1,,,,,13069,bmse000624,1
9,covalent,DOUB,C6,C7,,,,,13069,bmse000624,1
10,covalent,SING,C6,C3,,,,,13069,bmse000624,1
11,covalent,SING,C6,C8,,,,,13069,bmse000624,1
12,covalent,SING,C7,C4,,,,,13069,bmse000624,1
13,covalent,SING,C4,H17,,,,,13069,bmse000624,1
14,covalent,DOUB,C2,C3,,,,,13069,bmse000624,1
15,covalent,SING,C2,H15,,,,,13069,bmse000624,1
16,covalent,SING,C3,H16,,,,,13069,bmse000624,1
17,covalent,SING,C1,H13,,,,,13069,bmse000624,1
18,covalent,SING,C1,H12,,,,,13069,bmse000624,1
19,covalent,SING,C1,H14,,,,,13069,bmse000624,1
1,covalent,SING,O7,C6,,,,,13092,bmse000625,1
2,covalent,SING,O7,H20,,,,,13092,bmse000625,1
3,covalent,DOUB,O8,C6,,,,,13092,bmse000625,1
4,covalent,SING,C5,C3,,,,,13092,bmse000625,1
5,covalent,SING,C5,C1,,,,,13092,bmse000625,1
6,covalent,SING,C5,C2,,,,,13092,bmse000625,1
7,covalent,SING,C5,H19,,,,,13092,bmse000625,1
8,covalent,SING,C3,C4,,,,,13092,bmse000625,1
9,covalent,SING,C3,H15,,,,,13092,bmse000625,1
10,covalent,SING,C3,H16,,,,,13092,bmse000625,1
11,covalent,SING,C4,C6,,,,,13092,bmse000625,1
12,covalent,SING,C4,H17,,,,,13092,bmse000625,1
13,covalent,SING,C4,H18,,,,,13092,bmse000625,1
14,covalent,SING,C1,H10,,,,,13092,bmse000625,1
15,covalent,SING,C1,H11,,,,,13092,bmse000625,1
16,covalent,SING,C1,H9,,,,,13092,bmse000625,1
17,covalent,SING,C2,H14,,,,,13092,bmse000625,1
18,covalent,SING,C2,H13,,,,,13092,bmse000625,1
19,covalent,SING,C2,H12,,,,,13092,bmse000625,1
1,covalent,SING,O14,C9,,,,,13115,bmse000626,1
2,covalent,SING,O14,C1,,,,,13115,bmse000626,1
3,covalent,SING,N13,C11,,,,,13115,bmse000626,1
4,covalent,SING,N13,C7,,,,,13115,bmse000626,1
5,covalent,SING,N13,H28,,,,,13115,bmse000626,1
6,covalent,SING,N12,C5,,,,,13115,bmse000626,1
7,covalent,SING,N12,H26,,,,,13115,bmse000626,1
8,covalent,SING,N12,H27,,,,,13115,bmse000626,1
9,covalent,SING,C8,C10,,,,,13115,bmse000626,1
10,covalent,SING,C8,C4,,,,,13115,bmse000626,1
11,covalent,DOUB,C8,C7,,,,,13115,bmse000626,1
12,covalent,DOUB,C10,C11,,,,,13115,bmse000626,1
13,covalent,SING,C10,C6,,,,,13115,bmse000626,1
14,covalent,SING,C4,C5,,,,,13115,bmse000626,1
15,covalent,SING,C4,H20,,,,,13115,bmse000626,1
16,covalent,SING,C4,H21,,,,,13115,bmse000626,1
17,covalent,SING,C11,C3,,,,,13115,bmse000626,1
18,covalent,SING,C7,H25,,,,,13115,bmse000626,1
19,covalent,DOUB,C6,C9,,,,,13115,bmse000626,1
20,covalent,SING,C6,H24,,,,,13115,bmse000626,1
21,covalent,SING,C5,H22,,,,,13115,bmse000626,1
22,covalent,SING,C5,H23,,,,,13115,bmse000626,1
23,covalent,DOUB,C3,C2,,,,,13115,bmse000626,1
24,covalent,SING,C3,H19,,,,,13115,bmse000626,1
25,covalent,SING,C9,C2,,,,,13115,bmse000626,1
26,covalent,SING,C2,H18,,,,,13115,bmse000626,1
27,covalent,SING,C1,H17,,,,,13115,bmse000626,1
28,covalent,SING,C1,H16,,,,,13115,bmse000626,1
29,covalent,SING,C1,H15,,,,,13115,bmse000626,1
1,covalent,SING,O38,C30,,,,,13138,bmse000627,1
2,covalent,SING,O38,H78,,,,,13138,bmse000627,1
3,covalent,SING,O40,C31,,,,,13138,bmse000627,1
4,covalent,SING,O40,H79,,,,,13138,bmse000627,1
5,covalent,DOUB,O39,C30,,,,,13138,bmse000627,1
6,covalent,DOUB,O41,C31,,,,,13138,bmse000627,1
7,covalent,DOUB,O43,C33,,,,,13138,bmse000627,1
8,covalent,DOUB,O42,C32,,,,,13138,bmse000627,1
9,covalent,SING,N34,C28,,,,,13138,bmse000627,1
10,covalent,SING,N34,C24,,,,,13138,bmse000627,1
11,covalent,SING,N34,H74,,,,,13138,bmse000627,1
12,covalent,SING,N35,C29,,,,,13138,bmse000627,1
13,covalent,SING,N35,C25,,,,,13138,bmse000627,1
14,covalent,SING,N35,H75,,,,,13138,bmse000627,1
15,covalent,SING,N36,C26,,,,,13138,bmse000627,1
16,covalent,SING,N36,C33,,,,,13138,bmse000627,1
17,covalent,SING,N36,H76,,,,,13138,bmse000627,1
18,covalent,SING,N37,C27,,,,,13138,bmse000627,1
19,covalent,SING,N37,C32,,,,,13138,bmse000627,1
20,covalent,SING,N37,H77,,,,,13138,bmse000627,1
21,covalent,SING,C15,C28,,,,,13138,bmse000627,1
22,covalent,SING,C15,C29,,,,,13138,bmse000627,1
23,covalent,SING,C15,H72,,,,,13138,bmse000627,1
24,covalent,SING,C15,H73,,,,,13138,bmse000627,1
25,covalent,DOUB,C28,C22,,,,,13138,bmse000627,1
26,covalent,DOUB,C29,C23,,,,,13138,bmse000627,1
27,covalent,SING,C22,C17,,,,,13138,bmse000627,1
28,covalent,SING,C22,C9,,,,,13138,bmse000627,1
29,covalent,SING,C23,C18,,,,,13138,bmse000627,1
30,covalent,SING,C23,C10,,,,,13138,bmse000627,1
31,covalent,DOUB,C17,C24,,,,,13138,bmse000627,1
32,covalent,SING,C17,C4,,,,,13138,bmse000627,1
33,covalent,DOUB,C18,C25,,,,,13138,bmse000627,1
34,covalent,SING,C18,C5,,,,,13138,bmse000627,1
35,covalent,SING,C24,C13,,,,,13138,bmse000627,1
36,covalent,SING,C25,C14,,,,,13138,bmse000627,1
37,covalent,SING,C9,C11,,,,,13138,bmse000627,1
38,covalent,SING,C9,H62,,,,,13138,bmse000627,1
39,covalent,SING,C9,H63,,,,,13138,bmse000627,1
40,covalent,SING,C10,C12,,,,,13138,bmse000627,1
41,covalent,SING,C10,H64,,,,,13138,bmse000627,1
42,covalent,SING,C10,H65,,,,,13138,bmse000627,1
43,covalent,SING,C4,H52,,,,,13138,bmse000627,1
44,covalent,SING,C4,H51,,,,,13138,bmse000627,1
45,covalent,SING,C4,H53,,,,,13138,bmse000627,1
46,covalent,SING,C5,H54,,,,,13138,bmse000627,1
47,covalent,SING,C5,H56,,,,,13138,bmse000627,1
48,covalent,SING,C5,H55,,,,,13138,bmse000627,1
49,covalent,SING,C11,C30,,,,,13138,bmse000627,1
50,covalent,SING,C11,H66,,,,,13138,bmse000627,1
51,covalent,SING,C11,H67,,,,,13138,bmse000627,1
52,covalent,SING,C12,C31,,,,,13138,bmse000627,1
53,covalent,SING,C12,H68,,,,,13138,bmse000627,1
54,covalent,SING,C12,H69,,,,,13138,bmse000627,1
55,covalent,DOUB,C13,C26,,,,,13138,bmse000627,1
56,covalent,SING,C13,H70,,,,,13138,bmse000627,1
57,covalent,DOUB,C14,C27,,,,,13138,bmse000627,1
58,covalent,SING,C14,H71,,,,,13138,bmse000627,1
59,covalent,SING,C26,C16,,,,,13138,bmse000627,1
60,covalent,SING,C27,C20,,,,,13138,bmse000627,1
61,covalent,DOUB,C16,C21,,,,,13138,bmse000627,1
62,covalent,SING,C16,C3,,,,,13138,bmse000627,1
63,covalent,DOUB,C20,C19,,,,,13138,bmse000627,1
64,covalent,SING,C20,C7,,,,,13138,bmse000627,1
65,covalent,SING,C19,C32,,,,,13138,bmse000627,1
66,covalent,SING,C19,C6,,,,,13138,bmse000627,1
67,covalent,SING,C21,C33,,,,,13138,bmse000627,1
68,covalent,SING,C21,C8,,,,,13138,bmse000627,1
69,covalent,SING,C3,H49,,,,,13138,bmse000627,1
70,covalent,SING,C3,H48,,,,,13138,bmse000627,1
71,covalent,SING,C3,H50,,,,,13138,bmse000627,1
72,covalent,DOUB,C7,C1,,,,,13138,bmse000627,1
73,covalent,SING,C7,H60,,,,,13138,bmse000627,1
74,covalent,SING,C6,H59,,,,,13138,bmse000627,1
75,covalent,SING,C6,H58,,,,,13138,bmse000627,1
76,covalent,SING,C6,H57,,,,,13138,bmse000627,1
77,covalent,DOUB,C8,C2,,,,,13138,bmse000627,1
78,covalent,SING,C8,H61,,,,,13138,bmse000627,1
79,covalent,SING,C1,H44,,,,,13138,bmse000627,1
80,covalent,SING,C1,H45,,,,,13138,bmse000627,1
81,covalent,SING,C2,H46,,,,,13138,bmse000627,1
82,covalent,SING,C2,H47,,,,,13138,bmse000627,1
1,covalent,SING,O22,C16,,,,,13161,bmse000628,1
2,covalent,SING,O22,C17,,,,,13161,bmse000628,1
3,covalent,SING,N21,C12,,,,,13161,bmse000628,1
4,covalent,SING,N21,C13,,,,,13161,bmse000628,1
5,covalent,SING,N21,C14,,,,,13161,bmse000628,1
6,covalent,SING,C12,C15,,,,,13161,bmse000628,1
7,covalent,SING,C12,H47,,,,,13161,bmse000628,1
8,covalent,SING,C12,H48,,,,,13161,bmse000628,1
9,covalent,SING,C15,C11,,,,,13161,bmse000628,1
10,covalent,SING,C15,C1,,,,,13161,bmse000628,1
11,covalent,SING,C15,H53,,,,,13161,bmse000628,1
12,covalent,SING,C13,C16,,,,,13161,bmse000628,1
13,covalent,SING,C13,H49,,,,,13161,bmse000628,1
14,covalent,SING,C13,H50,,,,,13161,bmse000628,1
15,covalent,SING,C14,C17,,,,,13161,bmse000628,1
16,covalent,SING,C14,H51,,,,,13161,bmse000628,1
17,covalent,SING,C14,H52,,,,,13161,bmse000628,1
18,covalent,SING,C16,C2,,,,,13161,bmse000628,1
19,covalent,SING,C16,H54,,,,,13161,bmse000628,1
20,covalent,SING,C17,C3,,,,,13161,bmse000628,1
21,covalent,SING,C17,H55,,,,,13161,bmse000628,1
22,covalent,SING,C11,C18,,,,,13161,bmse000628,1
23,covalent,SING,C11,H45,,,,,13161,bmse000628,1
24,covalent,SING,C11,H46,,,,,13161,bmse000628,1
25,covalent,SING,C1,H25,,,,,13161,bmse000628,1
26,covalent,SING,C1,H24,,,,,13161,bmse000628,1
27,covalent,SING,C1,H23,,,,,13161,bmse000628,1
28,covalent,SING,C2,H27,,,,,13161,bmse000628,1
29,covalent,SING,C2,H26,,,,,13161,bmse000628,1
30,covalent,SING,C2,H28,,,,,13161,bmse000628,1
31,covalent,SING,C3,H31,,,,,13161,bmse000628,1
32,covalent,SING,C3,H30,,,,,13161,bmse000628,1
33,covalent,SING,C3,H29,,,,,13161,bmse000628,1
34,covalent,DOUB,C18,C7,,,,,13161,bmse000628,1
35,covalent,SING,C18,C8,,,,,13161,bmse000628,1
36,covalent,SING,C20,C19,,,,,13161,bmse000628,1
37,covalent,SING,C20,C4,,,,,13161,bmse000628,1
38,covalent,SING,C20,C5,,,,,13161,bmse000628,1
39,covalent,SING,C20,C6,,,,,13161,bmse000628,1
40,covalent,DOUB,C19,C9,,,,,13161,bmse000628,1
41,covalent,SING,C19,C10,,,,,13161,bmse000628,1
42,covalent,SING,C7,C9,,,,,13161,bmse000628,1
43,covalent,SING,C7,H41,,,,,13161,bmse000628,1
44,covalent,DOUB,C8,C10,,,,,13161,bmse000628,1
45,covalent,SING,C8,H42,,,,,13161,bmse000628,1
46,covalent,SING,C9,H43,,,,,13161,bmse000628,1
47,covalent,SING,C10,H44,,,,,13161,bmse000628,1
48,covalent,SING,C4,H34,,,,,13161,bmse000628,1
49,covalent,SING,C4,H33,,,,,13161,bmse000628,1
50,covalent,SING,C4,H32,,,,,13161,bmse000628,1
51,covalent,SING,C5,H35,,,,,13161,bmse000628,1
52,covalent,SING,C5,H36,,,,,13161,bmse000628,1
53,covalent,SING,C5,H37,,,,,13161,bmse000628,1
54,covalent,SING,C6,H38,,,,,13161,bmse000628,1
55,covalent,SING,C6,H40,,,,,13161,bmse000628,1
56,covalent,SING,C6,H39,,,,,13161,bmse000628,1
1,covalent,SING,O11,C8,,,,,13184,bmse000629,1
2,covalent,SING,O11,H21,,,,,13184,bmse000629,1
3,covalent,SING,O10,C6,,,,,13184,bmse000629,1
4,covalent,SING,O10,H20,,,,,13184,bmse000629,1
5,covalent,DOUB,O12,C8,,,,,13184,bmse000629,1
6,covalent,SING,C7,N9,,,,,13184,bmse000629,1
7,covalent,SING,N9,H18,,,,,13184,bmse000629,1
8,covalent,SING,N9,H19,,,,,13184,bmse000629,1
9,covalent,SING,C7,C5,,,,,13184,bmse000629,1
10,covalent,SING,C7,C8,,,,,13184,bmse000629,1
11,covalent,SING,C7,H17,,,,,13184,bmse000629,1
12,covalent,DOUB,C5,C1,,,,,13184,bmse000629,1
13,covalent,SING,C5,C2,,,,,13184,bmse000629,1
14,covalent,SING,C1,C3,,,,,13184,bmse000629,1
15,covalent,SING,C1,H13,,,,,13184,bmse000629,1
16,covalent,DOUB,C2,C4,,,,,13184,bmse000629,1
17,covalent,SING,C2,H14,,,,,13184,bmse000629,1
18,covalent,DOUB,C3,C6,,,,,13184,bmse000629,1
19,covalent,SING,C3,H15,,,,,13184,bmse000629,1
20,covalent,SING,C4,C6,,,,,13184,bmse000629,1
21,covalent,SING,C4,H16,,,,,13184,bmse000629,1
1,covalent,DOUB,O9,C6,,,,,13207,bmse000630,1
2,covalent,SING,N8,C7,,,,,13207,bmse000630,1
3,covalent,SING,N8,C6,,,,,13207,bmse000630,1
4,covalent,SING,N8,H22,,,,,13207,bmse000630,1
5,covalent,SING,C7,C4,,,,,13207,bmse000630,1
6,covalent,SING,C7,C5,,,,,13207,bmse000630,1
7,covalent,SING,C7,H21,,,,,13207,bmse000630,1
8,covalent,SING,C4,C2,,,,,13207,bmse000630,1
9,covalent,SING,C4,H16,,,,,13207,bmse000630,1
10,covalent,SING,C4,H17,,,,,13207,bmse000630,1
11,covalent,SING,C5,C3,,,,,13207,bmse000630,1
12,covalent,SING,C5,H18,,,,,13207,bmse000630,1
13,covalent,SING,C5,H19,,,,,13207,bmse000630,1
14,covalent,SING,C2,C1,,,,,13207,bmse000630,1
15,covalent,SING,C2,H12,,,,,13207,bmse000630,1
16,covalent,SING,C2,H13,,,,,13207,bmse000630,1
17,covalent,SING,C3,C1,,,,,13207,bmse000630,1
18,covalent,SING,C3,H14,,,,,13207,bmse000630,1
19,covalent,SING,C3,H15,,,,,13207,bmse000630,1
20,covalent,SING,C1,H10,,,,,13207,bmse000630,1
21,covalent,SING,C1,H11,,,,,13207,bmse000630,1
22,covalent,SING,C6,H20,,,,,13207,bmse000630,1
1,covalent,SING,P12,O11,,,,,13230,bmse000631,1
2,covalent,SING,P12,O8,,,,,13230,bmse000631,1
3,covalent,SING,P12,O9,,,,,13230,bmse000631,1
4,covalent,DOUB,P12,O10,,,,,13230,bmse000631,1
5,covalent,SING,O11,C2,,,,,13230,bmse000631,1
6,covalent,SING,O6,C4,,,,,13230,bmse000631,1
7,covalent,SING,O6,H20,,,,,13230,bmse000631,1
8,covalent,SING,O8,H21,,,,,13230,bmse000631,1
9,covalent,SING,O9,H22,,,,,13230,bmse000631,1
10,covalent,DOUB,O7,C4,,,,,13230,bmse000631,1
11,covalent,SING,N5,C3,,,,,13230,bmse000631,1
12,covalent,SING,N5,H18,,,,,13230,bmse000631,1
13,covalent,SING,N5,H19,,,,,13230,bmse000631,1
14,covalent,SING,C2,C3,,,,,13230,bmse000631,1
15,covalent,SING,C2,C1,,,,,13230,bmse000631,1
16,covalent,SING,C2,H16,,,,,13230,bmse000631,1
17,covalent,SING,C3,C4,,,,,13230,bmse000631,1
18,covalent,SING,C3,H17,,,,,13230,bmse000631,1
19,covalent,SING,C1,H14,,,,,13230,bmse000631,1
20,covalent,SING,C1,H15,,,,,13230,bmse000631,1
21,covalent,SING,C1,H13,,,,,13230,bmse000631,1
1,covalent,SING,S8,O5,,,,,13252,bmse000632,1
2,covalent,DOUB,S8,O6,,,,,13252,bmse000632,1
3,covalent,DOUB,S8,O7,,,,,13252,bmse000632,1
4,covalent,SING,S8,C1,,,,,13252,bmse000632,1
5,covalent,SING,O5,H12,,,,,13252,bmse000632,1
6,covalent,SING,O3,C2,,,,,13252,bmse000632,1
7,covalent,SING,O3,H11,,,,,13252,bmse000632,1
8,covalent,DOUB,O4,C2,,,,,13252,bmse000632,1
9,covalent,SING,C1,C2,,,,,13252,bmse000632,1
10,covalent,SING,C1,H9,,,,,13252,bmse000632,1
11,covalent,SING,C1,H10,,,,,13252,bmse000632,1
1,covalent,SING,Cl3,C1,,,,,13273,bmse000633,1
2,covalent,SING,Cl4,C1,,,,,13273,bmse000633,1
3,covalent,SING,Cl5,C2,,,,,13273,bmse000633,1
4,covalent,SING,Cl6,C2,,,,,13273,bmse000633,1
5,covalent,DOUB,C1,C2,,,,,13273,bmse000633,1
1,covalent,SING,Cl17,C14,,,,,13290,bmse000634,1
2,covalent,SING,Cl18,C14,,,,,13290,bmse000634,1
3,covalent,SING,Cl19,C14,,,,,13290,bmse000634,1
4,covalent,SING,Cl15,C11,,,,,13290,bmse000634,1
5,covalent,SING,Cl16,C12,,,,,13290,bmse000634,1
6,covalent,SING,C13,C9,,,,,13290,bmse000634,1
7,covalent,SING,C13,C10,,,,,13290,bmse000634,1
8,covalent,SING,C13,C14,,,,,13290,bmse000634,1
9,covalent,SING,C13,H28,,,,,13290,bmse000634,1
10,covalent,DOUB,C9,C1,,,,,13290,bmse000634,1
11,covalent,SING,C9,C2,,,,,13290,bmse000634,1
12,covalent,DOUB,C10,C3,,,,,13290,bmse000634,1
13,covalent,SING,C10,C4,,,,,13290,bmse000634,1
14,covalent,SING,C1,C5,,,,,13290,bmse000634,1
15,covalent,SING,C1,H20,,,,,13290,bmse000634,1
16,covalent,SING,C3,C7,,,,,13290,bmse000634,1
17,covalent,SING,C3,H22,,,,,13290,bmse000634,1
18,covalent,DOUB,C2,C6,,,,,13290,bmse000634,1
19,covalent,SING,C2,H21,,,,,13290,bmse000634,1
20,covalent,DOUB,C4,C8,,,,,13290,bmse000634,1
21,covalent,SING,C4,H23,,,,,13290,bmse000634,1
22,covalent,DOUB,C5,C11,,,,,13290,bmse000634,1
23,covalent,SING,C5,H24,,,,,13290,bmse000634,1
24,covalent,DOUB,C7,C12,,,,,13290,bmse000634,1
25,covalent,SING,C7,H26,,,,,13290,bmse000634,1
26,covalent,SING,C6,C11,,,,,13290,bmse000634,1
27,covalent,SING,C6,H25,,,,,13290,bmse000634,1
28,covalent,SING,C8,C12,,,,,13290,bmse000634,1
29,covalent,SING,C8,H27,,,,,13290,bmse000634,1
1,covalent,SING,Cl9,C6,,,,,13309,bmse000635,1
2,covalent,SING,O12,C7,,,,,13309,bmse000635,1
3,covalent,SING,O12,C5,,,,,13309,bmse000635,1
4,covalent,SING,O10,C8,,,,,13309,bmse000635,1
5,covalent,SING,O10,H19,,,,,13309,bmse000635,1
6,covalent,DOUB,O11,C8,,,,,13309,bmse000635,1
7,covalent,DOUB,C7,C3,,,,,13309,bmse000635,1
8,covalent,SING,C7,C4,,,,,13309,bmse000635,1
9,covalent,SING,C3,C1,,,,,13309,bmse000635,1
10,covalent,SING,C3,H15,,,,,13309,bmse000635,1
11,covalent,DOUB,C4,C2,,,,,13309,bmse000635,1
12,covalent,SING,C4,H16,,,,,13309,bmse000635,1
13,covalent,SING,C5,C8,,,,,13309,bmse000635,1
14,covalent,SING,C5,H17,,,,,13309,bmse000635,1
15,covalent,SING,C5,H18,,,,,13309,bmse000635,1
16,covalent,DOUB,C1,C6,,,,,13309,bmse000635,1
17,covalent,SING,C1,H13,,,,,13309,bmse000635,1
18,covalent,SING,C2,C6,,,,,13309,bmse000635,1
19,covalent,SING,C2,H14,,,,,13309,bmse000635,1
1,covalent,DOUB,O12,C9,,,,,13322,bmse000636,1
2,covalent,SING,O13,C10,,,,,13322,bmse000636,1
3,covalent,SING,O13,H25,,,,,13322,bmse000636,1
4,covalent,DOUB,O14,C10,,,,,13322,bmse000636,1
5,covalent,SING,N11,C9,,,,,13322,bmse000636,1
6,covalent,SING,N11,C7,,,,,13322,bmse000636,1
7,covalent,SING,N11,H24,,,,,13322,bmse000636,1
8,covalent,SING,C6,C8,,,,,13322,bmse000636,1
9,covalent,SING,C6,C9,,,,,13322,bmse000636,1
10,covalent,SING,C6,H20,,,,,13322,bmse000636,1
11,covalent,SING,C6,H21,,,,,13322,bmse000636,1
12,covalent,DOUB,C8,C4,,,,,13322,bmse000636,1
13,covalent,SING,C8,C5,,,,,13322,bmse000636,1
14,covalent,SING,C4,C2,,,,,13322,bmse000636,1
15,covalent,SING,C4,H18,,,,,13322,bmse000636,1
16,covalent,DOUB,C5,C3,,,,,13322,bmse000636,1
17,covalent,SING,C5,H19,,,,,13322,bmse000636,1
18,covalent,SING,C7,C10,,,,,13322,bmse000636,1
19,covalent,SING,C7,H22,,,,,13322,bmse000636,1
20,covalent,SING,C7,H23,,,,,13322,bmse000636,1
21,covalent,DOUB,C2,C1,,,,,13322,bmse000636,1
22,covalent,SING,C2,H16,,,,,13322,bmse000636,1
23,covalent,SING,C3,C1,,,,,13322,bmse000636,1
24,covalent,SING,C3,H17,,,,,13322,bmse000636,1
25,covalent,SING,C1,H15,,,,,13322,bmse000636,1
1,covalent,SING,P8,O5,,,,,13335,bmse000637,1
2,covalent,SING,P8,O6,,,,,13335,bmse000637,1
3,covalent,DOUB,P8,O7,,,,,13335,bmse000637,1
4,covalent,SING,P8,C1,,,,,13335,bmse000637,1
5,covalent,SING,O5,H12,,,,,13335,bmse000637,1
6,covalent,SING,O6,H13,,,,,13335,bmse000637,1
7,covalent,SING,O3,C2,,,,,13335,bmse000637,1
8,covalent,SING,O3,H11,,,,,13335,bmse000637,1
9,covalent,DOUB,O4,C2,,,,,13335,bmse000637,1
10,covalent,SING,C1,C2,,,,,13335,bmse000637,1
11,covalent,SING,C1,H9,,,,,13335,bmse000637,1
12,covalent,SING,C1,H10,,,,,13335,bmse000637,1
1,covalent,DOUB,O11,C7,,,,,13350,bmse000638,1
2,covalent,SING,C10,C6,,,,,13350,bmse000638,1
3,covalent,SING,C10,C5,,,,,13350,bmse000638,1
4,covalent,SING,C10,C8,,,,,13350,bmse000638,1
5,covalent,SING,C10,H25,,,,,13350,bmse000638,1
6,covalent,SING,C6,C4,,,,,13350,bmse000638,1
7,covalent,SING,C6,H22,,,,,13350,bmse000638,1
8,covalent,SING,C6,H23,,,,,13350,bmse000638,1
9,covalent,SING,C5,C3,,,,,13350,bmse000638,1
10,covalent,SING,C5,H20,,,,,13350,bmse000638,1
11,covalent,SING,C5,H21,,,,,13350,bmse000638,1
12,covalent,SING,C4,C9,,,,,13350,bmse000638,1
13,covalent,SING,C4,H18,,,,,13350,bmse000638,1
14,covalent,SING,C4,H19,,,,,13350,bmse000638,1
15,covalent,SING,C8,C2,,,,,13350,bmse000638,1
16,covalent,DOUB,C8,C1,,,,,13350,bmse000638,1
17,covalent,DOUB,C9,C3,,,,,13350,bmse000638,1
18,covalent,SING,C9,C7,,,,,13350,bmse000638,1
19,covalent,SING,C3,H17,,,,,13350,bmse000638,1
20,covalent,SING,C2,H14,,,,,13350,bmse000638,1
21,covalent,SING,C2,H16,,,,,13350,bmse000638,1
22,covalent,SING,C2,H15,,,,,13350,bmse000638,1
23,covalent,SING,C1,H12,,,,,13350,bmse000638,1
24,covalent,SING,C1,H13,,,,,13350,bmse000638,1
25,covalent,SING,C7,H24,,,,,13350,bmse000638,1
1,covalent,DOUB,O10,C7,,,,,13372,bmse000639,1
2,covalent,SING,N9,C5,,,,,13372,bmse000639,1
3,covalent,DOUB,N9,C4,,,,,13372,bmse000639,1
4,covalent,SING,N9,C1,,,,,13372,bmse000639,1
5,covalent,SING,N8,C7,,,,,13372,bmse000639,1
6,covalent,SING,N8,H18,,,,,13372,bmse000639,1
7,covalent,SING,N8,H19,,,,,13372,bmse000639,1
8,covalent,DOUB,C6,C5,,,,,13372,bmse000639,1
9,covalent,SING,C6,C3,,,,,13372,bmse000639,1
10,covalent,SING,C6,C7,,,,,13372,bmse000639,1
11,covalent,SING,C5,H17,,,,,13372,bmse000639,1
12,covalent,SING,C4,C2,,,,,13372,bmse000639,1
13,covalent,SING,C4,H16,,,,,13372,bmse000639,1
14,covalent,DOUB,C3,C2,,,,,13372,bmse000639,1
15,covalent,SING,C3,H15,,,,,13372,bmse000639,1
16,covalent,SING,C2,H14,,,,,13372,bmse000639,1
17,covalent,SING,C1,H12,,,,,13372,bmse000639,1
18,covalent,SING,C1,H11,,,,,13372,bmse000639,1
19,covalent,SING,C1,H13,,,,,13372,bmse000639,1
1,covalent,SING,Cl11,C6,,,,,13394,bmse000640,1
2,covalent,SING,Cl10,C5,,,,,13394,bmse000640,1
3,covalent,SING,Cl9,C4,,,,,13394,bmse000640,1
4,covalent,SING,O14,C7,,,,,13394,bmse000640,1
5,covalent,SING,O14,C3,,,,,13394,bmse000640,1
6,covalent,SING,O12,C8,,,,,13394,bmse000640,1
7,covalent,SING,O12,H19,,,,,13394,bmse000640,1
8,covalent,DOUB,O13,C8,,,,,13394,bmse000640,1
9,covalent,SING,C7,C6,,,,,13394,bmse000640,1
10,covalent,DOUB,C7,C2,,,,,13394,bmse000640,1
11,covalent,DOUB,C6,C1,,,,,13394,bmse000640,1
12,covalent,SING,C2,C5,,,,,13394,bmse000640,1
13,covalent,SING,C2,H16,,,,,13394,bmse000640,1
14,covalent,DOUB,C5,C4,,,,,13394,bmse000640,1
15,covalent,SING,C1,C4,,,,,13394,bmse000640,1
16,covalent,SING,C1,H15,,,,,13394,bmse000640,1
17,covalent,SING,C3,C8,,,,,13394,bmse000640,1
18,covalent,SING,C3,H17,,,,,13394,bmse000640,1
19,covalent,SING,C3,H18,,,,,13394,bmse000640,1
1,covalent,SING,O7,C3,,,,,13416,bmse000641,1
2,covalent,SING,O7,H17,,,,,13416,bmse000641,1
3,covalent,DOUB,O8,C3,,,,,13416,bmse000641,1
4,covalent,DOUB,O9,C4,,,,,13416,bmse000641,1
5,covalent,SING,N6,C2,,,,,13416,bmse000641,1
6,covalent,SING,N6,C4,,,,,13416,bmse000641,1
7,covalent,SING,N6,H16,,,,,13416,bmse000641,1
8,covalent,SING,N5,C4,,,,,13416,bmse000641,1
9,covalent,SING,N5,H14,,,,,13416,bmse000641,1
10,covalent,SING,N5,H15,,,,,13416,bmse000641,1
11,covalent,SING,C2,C1,,,,,13416,bmse000641,1
12,covalent,SING,C2,H12,,,,,13416,bmse000641,1
13,covalent,SING,C2,H13,,,,,13416,bmse000641,1
14,covalent,SING,C1,C3,,,,,13416,bmse000641,1
15,covalent,SING,C1,H10,,,,,13416,bmse000641,1
16,covalent,SING,C1,H11,,,,,13416,bmse000641,1
1,covalent,SING,C17,O20,,,,,13438,bmse000642,1
2,covalent,SING,O20,H44,,,,,13438,bmse000642,1
3,covalent,SING,O19,C12,,,,,13438,bmse000642,1
4,covalent,SING,O19,H43,,,,,13438,bmse000642,1
5,covalent,SING,C18,C16,,,,,13438,bmse000642,1
6,covalent,SING,C18,C17,,,,,13438,bmse000642,1
7,covalent,SING,C18,C9,,,,,13438,bmse000642,1
8,covalent,SING,C18,C1,,,,,13438,bmse000642,1
9,covalent,SING,C16,C15,,,,,13438,bmse000642,1
10,covalent,SING,C16,C6,,,,,13438,bmse000642,1
11,covalent,SING,C16,H41,,,,,13438,bmse000642,1
12,covalent,SING,C15,C14,,,,,13438,bmse000642,1
13,covalent,SING,C15,C4,,,,,13438,bmse000642,1
14,covalent,SING,C15,H40,,,,,13438,bmse000642,1
15,covalent,SING,C14,C8,,,,,13438,bmse000642,1
16,covalent,SING,C14,C13,,,,,13438,bmse000642,1
17,covalent,SING,C14,H39,,,,,13438,bmse000642,1
18,covalent,SING,C17,C7,,,,,13438,bmse000642,1
19,covalent,SING,C17,H42,,,,,13438,bmse000642,1
20,covalent,SING,C9,C8,,,,,13438,bmse000642,1
21,covalent,SING,C9,H36,,,,,13438,bmse000642,1
22,covalent,SING,C9,H37,,,,,13438,bmse000642,1
23,covalent,SING,C6,C7,,,,,13438,bmse000642,1
24,covalent,SING,C6,H30,,,,,13438,bmse000642,1
25,covalent,SING,C6,H31,,,,,13438,bmse000642,1
26,covalent,SING,C8,H34,,,,,13438,bmse000642,1
27,covalent,SING,C8,H35,,,,,13438,bmse000642,1
28,covalent,SING,C7,H32,,,,,13438,bmse000642,1
29,covalent,SING,C7,H33,,,,,13438,bmse000642,1
30,covalent,SING,C4,C2,,,,,13438,bmse000642,1
31,covalent,SING,C4,H27,,,,,13438,bmse000642,1
32,covalent,SING,C4,H28,,,,,13438,bmse000642,1
33,covalent,SING,C1,H23,,,,,13438,bmse000642,1
34,covalent,SING,C1,H21,,,,,13438,bmse000642,1
35,covalent,SING,C1,H22,,,,,13438,bmse000642,1
36,covalent,DOUB,C13,C11,,,,,13438,bmse000642,1
37,covalent,SING,C13,C5,,,,,13438,bmse000642,1
38,covalent,SING,C2,C11,,,,,13438,bmse000642,1
39,covalent,SING,C2,H24,,,,,13438,bmse000642,1
40,covalent,SING,C2,H25,,,,,13438,bmse000642,1
41,covalent,SING,C11,C10,,,,,13438,bmse000642,1
42,covalent,DOUB,C5,C3,,,,,13438,bmse000642,1
43,covalent,SING,C5,H29,,,,,13438,bmse000642,1
44,covalent,DOUB,C10,C12,,,,,13438,bmse000642,1
45,covalent,SING,C10,H38,,,,,13438,bmse000642,1
46,covalent,SING,C3,C12,,,,,13438,bmse000642,1
47,covalent,SING,C3,H26,,,,,13438,bmse000642,1
1,covalent,SING,O19,C18,,,,,13460,bmse000643,1
2,covalent,SING,O19,H54,,,,,13460,bmse000643,1
3,covalent,DOUB,O20,C18,,,,,13460,bmse000643,1
4,covalent,SING,C5,C6,,,,,13460,bmse000643,1
5,covalent,SING,C5,C4,,,,,13460,bmse000643,1
6,covalent,SING,C5,H30,,,,,13460,bmse000643,1
7,covalent,SING,C5,H31,,,,,13460,bmse000643,1
8,covalent,SING,C6,C7,,,,,13460,bmse000643,1
9,covalent,SING,C6,H32,,,,,13460,bmse000643,1
10,covalent,SING,C6,H33,,,,,13460,bmse000643,1
11,covalent,SING,C4,C3,,,,,13460,bmse000643,1
12,covalent,SING,C4,H28,,,,,13460,bmse000643,1
13,covalent,SING,C4,H29,,,,,13460,bmse000643,1
14,covalent,SING,C13,C14,,,,,13460,bmse000643,1
15,covalent,SING,C13,C12,,,,,13460,bmse000643,1
16,covalent,SING,C13,H44,,,,,13460,bmse000643,1
17,covalent,SING,C13,H45,,,,,13460,bmse000643,1
18,covalent,SING,C14,C15,,,,,13460,bmse000643,1
19,covalent,SING,C14,H46,,,,,13460,bmse000643,1
20,covalent,SING,C14,H47,,,,,13460,bmse000643,1
21,covalent,SING,C7,C8,,,,,13460,bmse000643,1
22,covalent,SING,C7,H34,,,,,13460,bmse000643,1
23,covalent,SING,C7,H35,,,,,13460,bmse000643,1
24,covalent,SING,C12,C11,,,,,13460,bmse000643,1
25,covalent,SING,C12,H42,,,,,13460,bmse000643,1
26,covalent,SING,C12,H43,,,,,13460,bmse000643,1
27,covalent,SING,C15,C16,,,,,13460,bmse000643,1
28,covalent,SING,C15,H48,,,,,13460,bmse000643,1
29,covalent,SING,C15,H49,,,,,13460,bmse000643,1
30,covalent,SING,C3,C2,,,,,13460,bmse000643,1
31,covalent,SING,C3,H26,,,,,13460,bmse000643,1
32,covalent,SING,C3,H27,,,,,13460,bmse000643,1
33,covalent,SING,C8,C9,,,,,13460,bmse000643,1
34,covalent,SING,C8,H36,,,,,13460,bmse000643,1
35,covalent,SING,C8,H37,,,,,13460,bmse000643,1
36,covalent,SING,C11,C10,,,,,13460,bmse000643,1
37,covalent,SING,C11,H40,,,,,13460,bmse000643,1
38,covalent,SING,C11,H41,,,,,13460,bmse000643,1
39,covalent,SING,C16,C17,,,,,13460,bmse000643,1
40,covalent,SING,C16,H50,,,,,13460,bmse000643,1
41,covalent,SING,C16,H51,,,,,13460,bmse000643,1
42,covalent,SING,C2,C1,,,,,13460,bmse000643,1
43,covalent,SING,C2,H24,,,,,13460,bmse000643,1
44,covalent,SING,C2,H25,,,,,13460,bmse000643,1
45,covalent,DOUB,C9,C10,,,,,13460,bmse000643,1
46,covalent,SING,C9,H38,,,,,13460,bmse000643,1
47,covalent,SING,C10,H39,,,,,13460,bmse000643,1
48,covalent,SING,C17,C18,,,,,13460,bmse000643,1
49,covalent,SING,C17,H52,,,,,13460,bmse000643,1
50,covalent,SING,C17,H53,,,,,13460,bmse000643,1
51,covalent,SING,C1,H21,,,,,13460,bmse000643,1
52,covalent,SING,C1,H22,,,,,13460,bmse000643,1
53,covalent,SING,C1,H23,,,,,13460,bmse000643,1
1,covalent,SING,C12,O1,,,,,13482,bmse000644,1
2,covalent,SING,O1,H62,,,,,13482,bmse000644,1
3,covalent,SING,C25,O2,,,,,13482,bmse000644,1
4,covalent,SING,O2,H70,,,,,13482,bmse000644,1
5,covalent,SING,O3,C31,,,,,13482,bmse000644,1
6,covalent,SING,O3,H74,,,,,13482,bmse000644,1
7,covalent,DOUB,O4,C31,,,,,13482,bmse000644,1
8,covalent,SING,N5,C29,,,,,13482,bmse000644,1
9,covalent,SING,N5,C30,,,,,13482,bmse000644,1
10,covalent,SING,N5,H71,,,,,13482,bmse000644,1
11,covalent,SING,C6,C7,,,,,13482,bmse000644,1
12,covalent,SING,C6,C11,,,,,13482,bmse000644,1
13,covalent,SING,C6,C12,,,,,13482,bmse000644,1
14,covalent,SING,C6,C20,,,,,13482,bmse000644,1
15,covalent,SING,C7,C8,,,,,13482,bmse000644,1
16,covalent,SING,C7,C15,,,,,13482,bmse000644,1
17,covalent,SING,C7,H32,,,,,13482,bmse000644,1
18,covalent,SING,C8,C9,,,,,13482,bmse000644,1
19,covalent,SING,C8,C16,,,,,13482,bmse000644,1
20,covalent,SING,C8,H33,,,,,13482,bmse000644,1
21,covalent,SING,C9,C10,,,,,13482,bmse000644,1
22,covalent,SING,C9,C13,,,,,13482,bmse000644,1
23,covalent,SING,C9,H34,,,,,13482,bmse000644,1
24,covalent,SING,C10,C14,,,,,13482,bmse000644,1
25,covalent,SING,C10,C19,,,,,13482,bmse000644,1
26,covalent,SING,C10,C23,,,,,13482,bmse000644,1
27,covalent,SING,C11,C17,,,,,13482,bmse000644,1
28,covalent,SING,C11,C21,,,,,13482,bmse000644,1
29,covalent,SING,C11,H35,,,,,13482,bmse000644,1
30,covalent,SING,C12,C13,,,,,13482,bmse000644,1
31,covalent,SING,C12,H36,,,,,13482,bmse000644,1
32,covalent,SING,C13,H37,,,,,13482,bmse000644,1
33,covalent,SING,C13,H38,,,,,13482,bmse000644,1
34,covalent,SING,C14,C18,,,,,13482,bmse000644,1
35,covalent,SING,C14,C22,,,,,13482,bmse000644,1
36,covalent,SING,C14,H39,,,,,13482,bmse000644,1
37,covalent,SING,C15,C17,,,,,13482,bmse000644,1
38,covalent,SING,C15,H40,,,,,13482,bmse000644,1
39,covalent,SING,C15,H41,,,,,13482,bmse000644,1
40,covalent,SING,C16,C18,,,,,13482,bmse000644,1
41,covalent,SING,C16,H42,,,,,13482,bmse000644,1
42,covalent,SING,C16,H43,,,,,13482,bmse000644,1
43,covalent,SING,C17,H44,,,,,13482,bmse000644,1
44,covalent,SING,C17,H45,,,,,13482,bmse000644,1
45,covalent,SING,C18,H46,,,,,13482,bmse000644,1
46,covalent,SING,C18,H47,,,,,13482,bmse000644,1
47,covalent,SING,C19,C24,,,,,13482,bmse000644,1
48,covalent,SING,C19,H48,,,,,13482,bmse000644,1
49,covalent,SING,C19,H49,,,,,13482,bmse000644,1
50,covalent,SING,C20,H50,,,,,13482,bmse000644,1
51,covalent,SING,C20,H51,,,,,13482,bmse000644,1
52,covalent,SING,C20,H52,,,,,13482,bmse000644,1
53,covalent,SING,C21,C26,,,,,13482,bmse000644,1
54,covalent,SING,C21,C27,,,,,13482,bmse000644,1
55,covalent,SING,C21,H53,,,,,13482,bmse000644,1
56,covalent,SING,C22,C25,,,,,13482,bmse000644,1
57,covalent,SING,C22,H54,,,,,13482,bmse000644,1
58,covalent,SING,C22,H55,,,,,13482,bmse000644,1
59,covalent,SING,C23,H56,,,,,13482,bmse000644,1
60,covalent,SING,C23,H57,,,,,13482,bmse000644,1
61,covalent,SING,C23,H58,,,,,13482,bmse000644,1
62,covalent,SING,C24,C25,,,,,13482,bmse000644,1
63,covalent,SING,C24,H59,,,,,13482,bmse000644,1
64,covalent,SING,C24,H60,,,,,13482,bmse000644,1
65,covalent,SING,C25,H61,,,,,13482,bmse000644,1
66,covalent,SING,C26,C28,,,,,13482,bmse000644,1
67,covalent,SING,C26,H63,,,,,13482,bmse000644,1
68,covalent,SING,C26,H64,,,,,13482,bmse000644,1
69,covalent,SING,C27,H65,,,,,13482,bmse000644,1
70,covalent,SING,C27,H66,,,,,13482,bmse000644,1
71,covalent,SING,C27,H67,,,,,13482,bmse000644,1
72,covalent,SING,C28,C29,,,,,13482,bmse000644,1
73,covalent,SING,C28,H68,,,,,13482,bmse000644,1
74,covalent,SING,C28,H69,,,,,13482,bmse000644,1
75,covalent,DOUB,C29,O75,,,,,13482,bmse000644,1
76,covalent,SING,C30,C31,,,,,13482,bmse000644,1
77,covalent,SING,C30,H72,,,,,13482,bmse000644,1
78,covalent,SING,C30,H73,,,,,13482,bmse000644,1
1,covalent,DOUB,O11,C6,,,,,13504,bmse000645,1
2,covalent,SING,N10,C9,,,,,13504,bmse000645,1
3,covalent,SING,N10,C5,,,,,13504,bmse000645,1
4,covalent,SING,N10,H18,,,,,13504,bmse000645,1
5,covalent,SING,C8,C9,,,,,13504,bmse000645,1
6,covalent,SING,C8,C7,,,,,13504,bmse000645,1
7,covalent,DOUB,C8,C3,,,,,13504,bmse000645,1
8,covalent,DOUB,C9,C4,,,,,13504,bmse000645,1
9,covalent,DOUB,C7,C5,,,,,13504,bmse000645,1
10,covalent,SING,C7,C6,,,,,13504,bmse000645,1
11,covalent,SING,C5,H16,,,,,13504,bmse000645,1
12,covalent,SING,C3,C1,,,,,13504,bmse000645,1
13,covalent,SING,C3,H14,,,,,13504,bmse000645,1
14,covalent,SING,C4,C2,,,,,13504,bmse000645,1
15,covalent,SING,C4,H15,,,,,13504,bmse000645,1
16,covalent,DOUB,C1,C2,,,,,13504,bmse000645,1
17,covalent,SING,C1,H12,,,,,13504,bmse000645,1
18,covalent,SING,C2,H13,,,,,13504,bmse000645,1
19,covalent,SING,C6,H17,,,,,13504,bmse000645,1
1,covalent,DOUB,O13,C10,,,,,13527,bmse000646,1
2,covalent,SING,O14,C11,,,,,13527,bmse000646,1
3,covalent,SING,O14,H24,,,,,13527,bmse000646,1
4,covalent,DOUB,O15,C11,,,,,13527,bmse000646,1
5,covalent,SING,N12,C9,,,,,13527,bmse000646,1
6,covalent,SING,N12,C6,,,,,13527,bmse000646,1
7,covalent,SING,N12,H23,,,,,13527,bmse000646,1
8,covalent,SING,C7,C8,,,,,13527,bmse000646,1
9,covalent,SING,C7,C5,,,,,13527,bmse000646,1
10,covalent,DOUB,C7,C6,,,,,13527,bmse000646,1
11,covalent,SING,C8,C9,,,,,13527,bmse000646,1
12,covalent,DOUB,C8,C3,,,,,13527,bmse000646,1
13,covalent,DOUB,C9,C4,,,,,13527,bmse000646,1
14,covalent,SING,C5,C10,,,,,13527,bmse000646,1
15,covalent,SING,C5,H20,,,,,13527,bmse000646,1
16,covalent,SING,C5,H21,,,,,13527,bmse000646,1
17,covalent,SING,C6,H22,,,,,13527,bmse000646,1
18,covalent,SING,C3,C1,,,,,13527,bmse000646,1
19,covalent,SING,C3,H18,,,,,13527,bmse000646,1
20,covalent,SING,C4,C2,,,,,13527,bmse000646,1
21,covalent,SING,C4,H19,,,,,13527,bmse000646,1
22,covalent,DOUB,C1,C2,,,,,13527,bmse000646,1
23,covalent,SING,C1,H16,,,,,13527,bmse000646,1
24,covalent,SING,C2,H17,,,,,13527,bmse000646,1
25,covalent,SING,C10,C11,,,,,13527,bmse000646,1
1,covalent,DOUB,O3,C2,,,,,13549,bmse000647,1
2,covalent,SING,C1,C2,,,,,13549,bmse000647,1
3,covalent,SING,C1,H5,,,,,13549,bmse000647,1
4,covalent,SING,C1,H6,,,,,13549,bmse000647,1
5,covalent,SING,C1,H4,,,,,13549,bmse000647,1
6,covalent,SING,C2,H7,,,,,13549,bmse000647,1
1,covalent,SING,C16,O26,,,,,13570,bmse000648,1
2,covalent,SING,O26,C17,,,,,13570,bmse000648,1
3,covalent,SING,O24,C18,,,,,13570,bmse000648,1
4,covalent,SING,O24,H42,,,,,13570,bmse000648,1
5,covalent,SING,O22,C15,,,,,13570,bmse000648,1
6,covalent,SING,O22,H41,,,,,13570,bmse000648,1
7,covalent,SING,O20,C13,,,,,13570,bmse000648,1
8,covalent,SING,O20,H39,,,,,13570,bmse000648,1
9,covalent,DOUB,O25,C18,,,,,13570,bmse000648,1
10,covalent,DOUB,O23,C17,,,,,13570,bmse000648,1
11,covalent,SING,O21,C14,,,,,13570,bmse000648,1
12,covalent,SING,O21,H40,,,,,13570,bmse000648,1
13,covalent,SING,O19,C12,,,,,13570,bmse000648,1
14,covalent,SING,O19,H38,,,,,13570,bmse000648,1
15,covalent,SING,C9,C16,,,,,13570,bmse000648,1
16,covalent,SING,C9,C11,,,,,13570,bmse000648,1
17,covalent,SING,C9,H35,,,,,13570,bmse000648,1
18,covalent,SING,C9,H36,,,,,13570,bmse000648,1
19,covalent,SING,C16,C18,,,,,13570,bmse000648,1
20,covalent,SING,C16,H37,,,,,13570,bmse000648,1
21,covalent,DOUB,C11,C8,,,,,13570,bmse000648,1
22,covalent,SING,C11,C2,,,,,13570,bmse000648,1
23,covalent,SING,C8,C15,,,,,13570,bmse000648,1
24,covalent,SING,C8,H34,,,,,13570,bmse000648,1
25,covalent,DOUB,C2,C5,,,,,13570,bmse000648,1
26,covalent,SING,C2,H28,,,,,13570,bmse000648,1
27,covalent,DOUB,C15,C13,,,,,13570,bmse000648,1
28,covalent,SING,C5,C13,,,,,13570,bmse000648,1
29,covalent,SING,C5,H31,,,,,13570,bmse000648,1
30,covalent,SING,C17,C6,,,,,13570,bmse000648,1
31,covalent,SING,C10,C3,,,,,13570,bmse000648,1
32,covalent,DOUB,C10,C7,,,,,13570,bmse000648,1
33,covalent,SING,C10,C1,,,,,13570,bmse000648,1
34,covalent,DOUB,C6,C3,,,,,13570,bmse000648,1
35,covalent,SING,C6,H32,,,,,13570,bmse000648,1
36,covalent,SING,C3,H29,,,,,13570,bmse000648,1
37,covalent,SING,C7,C14,,,,,13570,bmse000648,1
38,covalent,SING,C7,H33,,,,,13570,bmse000648,1
39,covalent,DOUB,C1,C4,,,,,13570,bmse000648,1
40,covalent,SING,C1,H27,,,,,13570,bmse000648,1
41,covalent,DOUB,C14,C12,,,,,13570,bmse000648,1
42,covalent,SING,C4,C12,,,,,13570,bmse000648,1
43,covalent,SING,C4,H30,,,,,13570,bmse000648,1
1,covalent,SING,O21,C15,,,,,13592,bmse000649,1
2,covalent,SING,O21,C17,,,,,13592,bmse000649,1
3,covalent,DOUB,O20,C17,,,,,13592,bmse000649,1
4,covalent,SING,O19,C11,,,,,13592,bmse000649,1
5,covalent,SING,O19,H44,,,,,13592,bmse000649,1
6,covalent,SING,N18,C14,,,,,13592,bmse000649,1
7,covalent,SING,N18,C13,,,,,13592,bmse000649,1
8,covalent,SING,N18,C1,,,,,13592,bmse000649,1
9,covalent,SING,C14,C8,,,,,13592,bmse000649,1
10,covalent,SING,C14,C10,,,,,13592,bmse000649,1
11,covalent,SING,C14,H41,,,,,13592,bmse000649,1
12,covalent,SING,C13,C7,,,,,13592,bmse000649,1
13,covalent,SING,C13,C9,,,,,13592,bmse000649,1
14,covalent,SING,C13,H40,,,,,13592,bmse000649,1
15,covalent,SING,C8,C7,,,,,13592,bmse000649,1
16,covalent,SING,C8,H32,,,,,13592,bmse000649,1
17,covalent,SING,C8,H33,,,,,13592,bmse000649,1
18,covalent,SING,C7,H30,,,,,13592,bmse000649,1
19,covalent,SING,C7,H31,,,,,13592,bmse000649,1
20,covalent,SING,C10,C15,,,,,13592,bmse000649,1
21,covalent,SING,C10,H36,,,,,13592,bmse000649,1
22,covalent,SING,C10,H37,,,,,13592,bmse000649,1
23,covalent,SING,C9,C15,,,,,13592,bmse000649,1
24,covalent,SING,C9,H34,,,,,13592,bmse000649,1
25,covalent,SING,C9,H35,,,,,13592,bmse000649,1
26,covalent,SING,C15,H42,,,,,13592,bmse000649,1
27,covalent,SING,C1,H23,,,,,13592,bmse000649,1
28,covalent,SING,C1,H24,,,,,13592,bmse000649,1
29,covalent,SING,C1,H22,,,,,13592,bmse000649,1
30,covalent,SING,C17,C16,,,,,13592,bmse000649,1
31,covalent,SING,C16,C12,,,,,13592,bmse000649,1
32,covalent,SING,C16,C11,,,,,13592,bmse000649,1
33,covalent,SING,C16,H43,,,,,13592,bmse000649,1
34,covalent,DOUB,C12,C5,,,,,13592,bmse000649,1
35,covalent,SING,C12,C6,,,,,13592,bmse000649,1
36,covalent,SING,C11,H38,,,,,13592,bmse000649,1
37,covalent,SING,C11,H39,,,,,13592,bmse000649,1
38,covalent,SING,C5,C3,,,,,13592,bmse000649,1
39,covalent,SING,C5,H28,,,,,13592,bmse000649,1
40,covalent,DOUB,C6,C4,,,,,13592,bmse000649,1
41,covalent,SING,C6,H29,,,,,13592,bmse000649,1
42,covalent,DOUB,C3,C2,,,,,13592,bmse000649,1
43,covalent,SING,C3,H26,,,,,13592,bmse000649,1
44,covalent,SING,C4,C2,,,,,13592,bmse000649,1
45,covalent,SING,C4,H27,,,,,13592,bmse000649,1
46,covalent,SING,C2,H25,,,,,13592,bmse000649,1
1,covalent,SING,C20,O27,,,,,13614,bmse000650,1
2,covalent,SING,O27,H68,,,,,13614,bmse000650,1
3,covalent,SING,C19,O26,,,,,13614,bmse000650,1
4,covalent,SING,O26,H67,,,,,13614,bmse000650,1
5,covalent,SING,C15,O25,,,,,13614,bmse000650,1
6,covalent,SING,O25,H66,,,,,13614,bmse000650,1
7,covalent,SING,O28,C21,,,,,13614,bmse000650,1
8,covalent,SING,O28,H69,,,,,13614,bmse000650,1
9,covalent,DOUB,O29,C21,,,,,13614,bmse000650,1
10,covalent,SING,C24,C17,,,,,13614,bmse000650,1
11,covalent,SING,C24,C16,,,,,13614,bmse000650,1
12,covalent,SING,C24,C20,,,,,13614,bmse000650,1
13,covalent,SING,C24,C3,,,,,13614,bmse000650,1
14,covalent,SING,C17,C22,,,,,13614,bmse000650,1
15,covalent,SING,C17,C6,,,,,13614,bmse000650,1
16,covalent,SING,C17,H61,,,,,13614,bmse000650,1
17,covalent,SING,C22,C18,,,,,13614,bmse000650,1
18,covalent,SING,C22,C19,,,,,13614,bmse000650,1
19,covalent,SING,C22,H65,,,,,13614,bmse000650,1
20,covalent,SING,C18,C23,,,,,13614,bmse000650,1
21,covalent,SING,C18,C12,,,,,13614,bmse000650,1
22,covalent,SING,C18,H62,,,,,13614,bmse000650,1
23,covalent,SING,C23,C14,,,,,13614,bmse000650,1
24,covalent,SING,C23,C9,,,,,13614,bmse000650,1
25,covalent,SING,C23,C2,,,,,13614,bmse000650,1
26,covalent,SING,C16,C5,,,,,13614,bmse000650,1
27,covalent,SING,C16,C13,,,,,13614,bmse000650,1
28,covalent,SING,C16,H60,,,,,13614,bmse000650,1
29,covalent,SING,C20,C12,,,,,13614,bmse000650,1
30,covalent,SING,C20,H64,,,,,13614,bmse000650,1
31,covalent,SING,C12,H55,,,,,13614,bmse000650,1
32,covalent,SING,C12,H56,,,,,13614,bmse000650,1
33,covalent,SING,C14,C11,,,,,13614,bmse000650,1
34,covalent,SING,C14,C10,,,,,13614,bmse000650,1
35,covalent,SING,C14,H58,,,,,13614,bmse000650,1
36,covalent,SING,C6,C5,,,,,13614,bmse000650,1
37,covalent,SING,C6,H43,,,,,13614,bmse000650,1
38,covalent,SING,C6,H44,,,,,13614,bmse000650,1
39,covalent,SING,C19,C11,,,,,13614,bmse000650,1
40,covalent,SING,C19,H63,,,,,13614,bmse000650,1
41,covalent,SING,C5,H41,,,,,13614,bmse000650,1
42,covalent,SING,C5,H42,,,,,13614,bmse000650,1
43,covalent,SING,C11,H53,,,,,13614,bmse000650,1
44,covalent,SING,C11,H54,,,,,13614,bmse000650,1
45,covalent,SING,C9,C8,,,,,13614,bmse000650,1
46,covalent,SING,C9,H49,,,,,13614,bmse000650,1
47,covalent,SING,C9,H50,,,,,13614,bmse000650,1
48,covalent,SING,C3,H36,,,,,13614,bmse000650,1
49,covalent,SING,C3,H38,,,,,13614,bmse000650,1
50,covalent,SING,C3,H37,,,,,13614,bmse000650,1
51,covalent,SING,C13,C4,,,,,13614,bmse000650,1
52,covalent,SING,C13,C1,,,,,13614,bmse000650,1
53,covalent,SING,C13,H57,,,,,13614,bmse000650,1
54,covalent,SING,C10,C15,,,,,13614,bmse000650,1
55,covalent,SING,C10,H51,,,,,13614,bmse000650,1
56,covalent,SING,C10,H52,,,,,13614,bmse000650,1
57,covalent,SING,C2,H33,,,,,13614,bmse000650,1
58,covalent,SING,C2,H35,,,,,13614,bmse000650,1
59,covalent,SING,C2,H34,,,,,13614,bmse000650,1
60,covalent,SING,C8,C15,,,,,13614,bmse000650,1
61,covalent,SING,C8,H47,,,,,13614,bmse000650,1
62,covalent,SING,C8,H48,,,,,13614,bmse000650,1
63,covalent,SING,C15,H59,,,,,13614,bmse000650,1
64,covalent,SING,C4,C7,,,,,13614,bmse000650,1
65,covalent,SING,C4,H39,,,,,13614,bmse000650,1
66,covalent,SING,C4,H40,,,,,13614,bmse000650,1
67,covalent,SING,C1,H30,,,,,13614,bmse000650,1
68,covalent,SING,C1,H31,,,,,13614,bmse000650,1
69,covalent,SING,C1,H32,,,,,13614,bmse000650,1
70,covalent,SING,C7,C21,,,,,13614,bmse000650,1
71,covalent,SING,C7,H45,,,,,13614,bmse000650,1
72,covalent,SING,C7,H46,,,,,13614,bmse000650,1
1,covalent,SING,C21,O30,,,,,13636,bmse000651,1
2,covalent,SING,O30,H75,,,,,13636,bmse000651,1
3,covalent,SING,C20,O29,,,,,13636,bmse000651,1
4,covalent,SING,O29,H74,,,,,13636,bmse000651,1
5,covalent,SING,C16,O28,,,,,13636,bmse000651,1
6,covalent,SING,O28,H73,,,,,13636,bmse000651,1
7,covalent,DOUB,O31,C22,,,,,13636,bmse000651,1
8,covalent,SING,O32,C23,,,,,13636,bmse000651,1
9,covalent,SING,O32,H76,,,,,13636,bmse000651,1
10,covalent,DOUB,O33,C23,,,,,13636,bmse000651,1
11,covalent,SING,N27,C22,,,,,13636,bmse000651,1
12,covalent,SING,N27,C13,,,,,13636,bmse000651,1
13,covalent,SING,N27,H72,,,,,13636,bmse000651,1
14,covalent,SING,C26,C18,,,,,13636,bmse000651,1
15,covalent,SING,C26,C17,,,,,13636,bmse000651,1
16,covalent,SING,C26,C21,,,,,13636,bmse000651,1
17,covalent,SING,C26,C3,,,,,13636,bmse000651,1
18,covalent,SING,C18,C24,,,,,13636,bmse000651,1
19,covalent,SING,C18,C6,,,,,13636,bmse000651,1
20,covalent,SING,C18,H67,,,,,13636,bmse000651,1
21,covalent,SING,C24,C19,,,,,13636,bmse000651,1
22,covalent,SING,C24,C20,,,,,13636,bmse000651,1
23,covalent,SING,C24,H71,,,,,13636,bmse000651,1
24,covalent,SING,C19,C25,,,,,13636,bmse000651,1
25,covalent,SING,C19,C12,,,,,13636,bmse000651,1
26,covalent,SING,C19,H68,,,,,13636,bmse000651,1
27,covalent,SING,C25,C15,,,,,13636,bmse000651,1
28,covalent,SING,C25,C9,,,,,13636,bmse000651,1
29,covalent,SING,C25,C2,,,,,13636,bmse000651,1
30,covalent,SING,C17,C5,,,,,13636,bmse000651,1
31,covalent,SING,C17,C14,,,,,13636,bmse000651,1
32,covalent,SING,C17,H66,,,,,13636,bmse000651,1
33,covalent,SING,C21,C12,,,,,13636,bmse000651,1
34,covalent,SING,C21,H70,,,,,13636,bmse000651,1
35,covalent,SING,C12,H59,,,,,13636,bmse000651,1
36,covalent,SING,C12,H60,,,,,13636,bmse000651,1
37,covalent,SING,C15,C11,,,,,13636,bmse000651,1
38,covalent,SING,C15,C10,,,,,13636,bmse000651,1
39,covalent,SING,C15,H64,,,,,13636,bmse000651,1
40,covalent,SING,C6,C5,,,,,13636,bmse000651,1
41,covalent,SING,C6,H47,,,,,13636,bmse000651,1
42,covalent,SING,C6,H48,,,,,13636,bmse000651,1
43,covalent,SING,C20,C11,,,,,13636,bmse000651,1
44,covalent,SING,C20,H69,,,,,13636,bmse000651,1
45,covalent,SING,C5,H45,,,,,13636,bmse000651,1
46,covalent,SING,C5,H46,,,,,13636,bmse000651,1
47,covalent,SING,C11,H57,,,,,13636,bmse000651,1
48,covalent,SING,C11,H58,,,,,13636,bmse000651,1
49,covalent,SING,C9,C8,,,,,13636,bmse000651,1
50,covalent,SING,C9,H53,,,,,13636,bmse000651,1
51,covalent,SING,C9,H54,,,,,13636,bmse000651,1
52,covalent,SING,C3,H40,,,,,13636,bmse000651,1
53,covalent,SING,C3,H42,,,,,13636,bmse000651,1
54,covalent,SING,C3,H41,,,,,13636,bmse000651,1
55,covalent,SING,C14,C4,,,,,13636,bmse000651,1
56,covalent,SING,C14,C1,,,,,13636,bmse000651,1
57,covalent,SING,C14,H63,,,,,13636,bmse000651,1
58,covalent,SING,C10,C16,,,,,13636,bmse000651,1
59,covalent,SING,C10,H55,,,,,13636,bmse000651,1
60,covalent,SING,C10,H56,,,,,13636,bmse000651,1
61,covalent,SING,C2,H37,,,,,13636,bmse000651,1
62,covalent,SING,C2,H39,,,,,13636,bmse000651,1
63,covalent,SING,C2,H38,,,,,13636,bmse000651,1
64,covalent,SING,C8,C16,,,,,13636,bmse000651,1
65,covalent,SING,C8,H51,,,,,13636,bmse000651,1
66,covalent,SING,C8,H52,,,,,13636,bmse000651,1
67,covalent,SING,C16,H65,,,,,13636,bmse000651,1
68,covalent,SING,C4,C7,,,,,13636,bmse000651,1
69,covalent,SING,C4,H43,,,,,13636,bmse000651,1
70,covalent,SING,C4,H44,,,,,13636,bmse000651,1
71,covalent,SING,C1,H34,,,,,13636,bmse000651,1
72,covalent,SING,C1,H35,,,,,13636,bmse000651,1
73,covalent,SING,C1,H36,,,,,13636,bmse000651,1
74,covalent,SING,C7,C22,,,,,13636,bmse000651,1
75,covalent,SING,C7,H49,,,,,13636,bmse000651,1
76,covalent,SING,C7,H50,,,,,13636,bmse000651,1
77,covalent,SING,C13,C23,,,,,13636,bmse000651,1
78,covalent,SING,C13,H61,,,,,13636,bmse000651,1
79,covalent,SING,C13,H62,,,,,13636,bmse000651,1
1,covalent,SING,C9,O22,,,,,13659,bmse000652,1
2,covalent,SING,C11,O22,,,,,13659,bmse000652,1
3,covalent,SING,O23,C5,,,,,13659,bmse000652,1
4,covalent,SING,O23,C12,,,,,13659,bmse000652,1
5,covalent,SING,O21,C11,,,,,13659,bmse000652,1
6,covalent,SING,O21,C4,,,,,13659,bmse000652,1
7,covalent,SING,C10,O19,,,,,13659,bmse000652,1
8,covalent,SING,O19,H44,,,,,13659,bmse000652,1
9,covalent,SING,C12,O20,,,,,13659,bmse000652,1
10,covalent,SING,O20,H45,,,,,13659,bmse000652,1
11,covalent,SING,C8,O18,,,,,13659,bmse000652,1
12,covalent,SING,O18,H43,,,,,13659,bmse000652,1
13,covalent,SING,C7,O17,,,,,13659,bmse000652,1
14,covalent,SING,O17,H42,,,,,13659,bmse000652,1
15,covalent,SING,C6,O16,,,,,13659,bmse000652,1
16,covalent,SING,O16,H41,,,,,13659,bmse000652,1
17,covalent,SING,O14,C2,,,,,13659,bmse000652,1
18,covalent,SING,O14,H39,,,,,13659,bmse000652,1
19,covalent,SING,O15,C3,,,,,13659,bmse000652,1
20,covalent,SING,O15,H40,,,,,13659,bmse000652,1
21,covalent,SING,O13,C1,,,,,13659,bmse000652,1
22,covalent,SING,O13,H38,,,,,13659,bmse000652,1
23,covalent,SING,C9,C10,,,,,13659,bmse000652,1
24,covalent,SING,C9,C5,,,,,13659,bmse000652,1
25,covalent,SING,C9,H35,,,,,13659,bmse000652,1
26,covalent,SING,C10,C12,,,,,13659,bmse000652,1
27,covalent,SING,C10,H36,,,,,13659,bmse000652,1
28,covalent,SING,C5,C2,,,,,13659,bmse000652,1
29,covalent,SING,C5,H31,,,,,13659,bmse000652,1
30,covalent,SING,C12,C3,,,,,13659,bmse000652,1
31,covalent,SING,C11,C8,,,,,13659,bmse000652,1
32,covalent,SING,C11,H37,,,,,13659,bmse000652,1
33,covalent,SING,C8,C7,,,,,13659,bmse000652,1
34,covalent,SING,C8,H34,,,,,13659,bmse000652,1
35,covalent,SING,C7,C6,,,,,13659,bmse000652,1
36,covalent,SING,C7,H33,,,,,13659,bmse000652,1
37,covalent,SING,C6,C4,,,,,13659,bmse000652,1
38,covalent,SING,C6,H32,,,,,13659,bmse000652,1
39,covalent,SING,C4,C1,,,,,13659,bmse000652,1
40,covalent,SING,C4,H30,,,,,13659,bmse000652,1
41,covalent,SING,C2,H26,,,,,13659,bmse000652,1
42,covalent,SING,C2,H27,,,,,13659,bmse000652,1
43,covalent,SING,C3,H28,,,,,13659,bmse000652,1
44,covalent,SING,C3,H29,,,,,13659,bmse000652,1
45,covalent,SING,C1,H24,,,,,13659,bmse000652,1
46,covalent,SING,C1,H25,,,,,13659,bmse000652,1
1,covalent,DOUB,S9,P8,,,,,13681,bmse000653,1
2,covalent,SING,P8,O6,,,,,13681,bmse000653,1
3,covalent,SING,P8,O7,,,,,13681,bmse000653,1
4,covalent,SING,P8,O5,,,,,13681,bmse000653,1
5,covalent,SING,O6,C3,,,,,13681,bmse000653,1
6,covalent,SING,O7,C4,,,,,13681,bmse000653,1
7,covalent,SING,C3,C1,,,,,13681,bmse000653,1
8,covalent,SING,C3,H16,,,,,13681,bmse000653,1
9,covalent,SING,C3,H17,,,,,13681,bmse000653,1
10,covalent,SING,C4,C2,,,,,13681,bmse000653,1
11,covalent,SING,C4,H18,,,,,13681,bmse000653,1
12,covalent,SING,C4,H19,,,,,13681,bmse000653,1
13,covalent,SING,C1,H12,,,,,13681,bmse000653,1
14,covalent,SING,C1,H10,,,,,13681,bmse000653,1
15,covalent,SING,C1,H11,,,,,13681,bmse000653,1
16,covalent,SING,C2,H15,,,,,13681,bmse000653,1
17,covalent,SING,C2,H14,,,,,13681,bmse000653,1
18,covalent,SING,C2,H13,,,,,13681,bmse000653,1
1,covalent,SING,O9,C6,,,,,13702,bmse000654,1
2,covalent,SING,O9,H20,,,,,13702,bmse000654,1
3,covalent,DOUB,O10,C6,,,,,13702,bmse000654,1
4,covalent,SING,O7,C5,,,,,13702,bmse000654,1
5,covalent,SING,O7,H19,,,,,13702,bmse000654,1
6,covalent,DOUB,O8,C5,,,,,13702,bmse000654,1
7,covalent,SING,C4,C2,,,,,13702,bmse000654,1
8,covalent,SING,C4,C1,,,,,13702,bmse000654,1
9,covalent,SING,C4,C6,,,,,13702,bmse000654,1
10,covalent,SING,C4,H18,,,,,13702,bmse000654,1
11,covalent,SING,C2,C3,,,,,13702,bmse000654,1
12,covalent,SING,C2,H14,,,,,13702,bmse000654,1
13,covalent,SING,C2,H15,,,,,13702,bmse000654,1
14,covalent,SING,C3,C5,,,,,13702,bmse000654,1
15,covalent,SING,C3,H16,,,,,13702,bmse000654,1
16,covalent,SING,C3,H17,,,,,13702,bmse000654,1
17,covalent,SING,C1,H11,,,,,13702,bmse000654,1
18,covalent,SING,C1,H12,,,,,13702,bmse000654,1
19,covalent,SING,C1,H13,,,,,13702,bmse000654,1
1,covalent,SING,C10,O12,,,,,13725,bmse000655,1
2,covalent,SING,O12,H22,,,,,13725,bmse000655,1
3,covalent,SING,C9,O11,,,,,13725,bmse000655,1
4,covalent,SING,O11,H21,,,,,13725,bmse000655,1
5,covalent,SING,C10,C9,,,,,13725,bmse000655,1
6,covalent,SING,C10,C8,,,,,13725,bmse000655,1
7,covalent,SING,C10,H20,,,,,13725,bmse000655,1
8,covalent,SING,C9,C6,,,,,13725,bmse000655,1
9,covalent,SING,C9,H19,,,,,13725,bmse000655,1
10,covalent,SING,C8,C7,,,,,13725,bmse000655,1
11,covalent,DOUB,C8,C4,,,,,13725,bmse000655,1
12,covalent,SING,C7,C5,,,,,13725,bmse000655,1
13,covalent,DOUB,C7,C3,,,,,13725,bmse000655,1
14,covalent,DOUB,C6,C5,,,,,13725,bmse000655,1
15,covalent,SING,C6,H18,,,,,13725,bmse000655,1
16,covalent,SING,C5,H17,,,,,13725,bmse000655,1
17,covalent,SING,C4,C2,,,,,13725,bmse000655,1
18,covalent,SING,C4,H16,,,,,13725,bmse000655,1
19,covalent,SING,C3,C1,,,,,13725,bmse000655,1
20,covalent,SING,C3,H15,,,,,13725,bmse000655,1
21,covalent,DOUB,C2,C1,,,,,13725,bmse000655,1
22,covalent,SING,C2,H14,,,,,13725,bmse000655,1
23,covalent,SING,C1,H13,,,,,13725,bmse000655,1
1,covalent,SING,N2,C1,,,,,13748,bmse000656,1
2,covalent,SING,N2,H4,,,,,13748,bmse000656,1
3,covalent,SING,N2,H5,,,,,13748,bmse000656,1
4,covalent,TRIP,N3,C1,,,,,13748,bmse000656,1
1,covalent,SING,S11,O8,,,,,13766,bmse000657,1
2,covalent,DOUB,S11,O9,,,,,13766,bmse000657,1
3,covalent,DOUB,S11,O10,,,,,13766,bmse000657,1
4,covalent,SING,S11,N7,,,,,13766,bmse000657,1
5,covalent,SING,O8,H24,,,,,13766,bmse000657,1
6,covalent,SING,N7,C6,,,,,13766,bmse000657,1
7,covalent,SING,N7,H23,,,,,13766,bmse000657,1
8,covalent,SING,C6,C4,,,,,13766,bmse000657,1
9,covalent,SING,C6,C5,,,,,13766,bmse000657,1
10,covalent,SING,C6,H22,,,,,13766,bmse000657,1
11,covalent,SING,C4,C2,,,,,13766,bmse000657,1
12,covalent,SING,C4,H18,,,,,13766,bmse000657,1
13,covalent,SING,C4,H19,,,,,13766,bmse000657,1
14,covalent,SING,C5,C3,,,,,13766,bmse000657,1
15,covalent,SING,C5,H20,,,,,13766,bmse000657,1
16,covalent,SING,C5,H21,,,,,13766,bmse000657,1
17,covalent,SING,C2,C1,,,,,13766,bmse000657,1
18,covalent,SING,C2,H14,,,,,13766,bmse000657,1
19,covalent,SING,C2,H15,,,,,13766,bmse000657,1
20,covalent,SING,C3,C1,,,,,13766,bmse000657,1
21,covalent,SING,C3,H16,,,,,13766,bmse000657,1
22,covalent,SING,C3,H17,,,,,13766,bmse000657,1
23,covalent,SING,C1,H12,,,,,13766,bmse000657,1
24,covalent,SING,C1,H13,,,,,13766,bmse000657,1
1,covalent,DOUB,O12,C9,,,,,13788,bmse000658,1
2,covalent,SING,O13,C10,,,,,13788,bmse000658,1
3,covalent,SING,O13,H25,,,,,13788,bmse000658,1
4,covalent,DOUB,O14,C10,,,,,13788,bmse000658,1
5,covalent,SING,N11,C9,,,,,13788,bmse000658,1
6,covalent,SING,N11,C7,,,,,13788,bmse000658,1
7,covalent,SING,N11,H24,,,,,13788,bmse000658,1
8,covalent,SING,C6,C8,,,,,13788,bmse000658,1
9,covalent,SING,C6,C9,,,,,13788,bmse000658,1
10,covalent,SING,C6,H20,,,,,13788,bmse000658,1
11,covalent,SING,C6,H21,,,,,13788,bmse000658,1
12,covalent,DOUB,C8,C4,,,,,13788,bmse000658,1
13,covalent,SING,C8,C5,,,,,13788,bmse000658,1
14,covalent,SING,C4,C2,,,,,13788,bmse000658,1
15,covalent,SING,C4,H18,,,,,13788,bmse000658,1
16,covalent,DOUB,C5,C3,,,,,13788,bmse000658,1
17,covalent,SING,C5,H19,,,,,13788,bmse000658,1
18,covalent,SING,C7,C10,,,,,13788,bmse000658,1
19,covalent,SING,C7,H22,,,,,13788,bmse000658,1
20,covalent,SING,C7,H23,,,,,13788,bmse000658,1
21,covalent,DOUB,C2,C1,,,,,13788,bmse000658,1
22,covalent,SING,C2,H16,,,,,13788,bmse000658,1
23,covalent,SING,C3,C1,,,,,13788,bmse000658,1
24,covalent,SING,C3,H17,,,,,13788,bmse000658,1
25,covalent,SING,C1,H15,,,,,13788,bmse000658,1
1,covalent,SING,O9,C7,,,,,13811,bmse000659,1
2,covalent,SING,O9,H19,,,,,13811,bmse000659,1
3,covalent,SING,C6,C8,,,,,13811,bmse000659,1
4,covalent,SING,C6,C7,,,,,13811,bmse000659,1
5,covalent,SING,C6,H15,,,,,13811,bmse000659,1
6,covalent,SING,C6,H16,,,,,13811,bmse000659,1
7,covalent,DOUB,C8,C4,,,,,13811,bmse000659,1
8,covalent,SING,C8,C5,,,,,13811,bmse000659,1
9,covalent,SING,C7,H17,,,,,13811,bmse000659,1
10,covalent,SING,C7,H18,,,,,13811,bmse000659,1
11,covalent,SING,C4,C2,,,,,13811,bmse000659,1
12,covalent,SING,C4,H13,,,,,13811,bmse000659,1
13,covalent,DOUB,C5,C3,,,,,13811,bmse000659,1
14,covalent,SING,C5,H14,,,,,13811,bmse000659,1
15,covalent,DOUB,C2,C1,,,,,13811,bmse000659,1
16,covalent,SING,C2,H11,,,,,13811,bmse000659,1
17,covalent,SING,C3,C1,,,,,13811,bmse000659,1
18,covalent,SING,C3,H12,,,,,13811,bmse000659,1
19,covalent,SING,C1,H10,,,,,13811,bmse000659,1
1,covalent,SING,P8,O5,,,,,13833,bmse000660,1
2,covalent,SING,P8,O6,,,,,13833,bmse000660,1
3,covalent,DOUB,P8,O7,,,,,13833,bmse000660,1
4,covalent,SING,P8,C1,,,,,13833,bmse000660,1
5,covalent,SING,O5,H12,,,,,13833,bmse000660,1
6,covalent,SING,O6,H13,,,,,13833,bmse000660,1
7,covalent,SING,O3,C2,,,,,13833,bmse000660,1
8,covalent,SING,O3,H11,,,,,13833,bmse000660,1
9,covalent,DOUB,O4,C2,,,,,13833,bmse000660,1
10,covalent,SING,C1,C2,,,,,13833,bmse000660,1
11,covalent,SING,C1,H9,,,,,13833,bmse000660,1
12,covalent,SING,C1,H10,,,,,13833,bmse000660,1
1,covalent,SING,Cl8,C4,,,,,13854,bmse000661,1
2,covalent,SING,Cl7,C3,,,,,13854,bmse000661,1
3,covalent,SING,O9,C5,,,,,13854,bmse000661,1
4,covalent,SING,O9,H13,,,,,13854,bmse000661,1
5,covalent,SING,O10,C6,,,,,13854,bmse000661,1
6,covalent,SING,O10,H14,,,,,13854,bmse000661,1
7,covalent,DOUB,C5,C4,,,,,13854,bmse000661,1
8,covalent,SING,C5,C1,,,,,13854,bmse000661,1
9,covalent,SING,C6,C3,,,,,13854,bmse000661,1
10,covalent,DOUB,C6,C2,,,,,13854,bmse000661,1
11,covalent,SING,C4,C2,,,,,13854,bmse000661,1
12,covalent,DOUB,C3,C1,,,,,13854,bmse000661,1
13,covalent,SING,C1,H11,,,,,13854,bmse000661,1
14,covalent,SING,C2,H12,,,,,13854,bmse000661,1
1,covalent,SING,O11,C10,,,,,13876,bmse000662,1
2,covalent,SING,O11,H24,,,,,13876,bmse000662,1
3,covalent,DOUB,O12,C10,,,,,13876,bmse000662,1
4,covalent,SING,C7,C8,,,,,13876,bmse000662,1
5,covalent,SING,C7,C1,,,,,13876,bmse000662,1
6,covalent,SING,C7,C2,,,,,13876,bmse000662,1
7,covalent,SING,C7,H23,,,,,13876,bmse000662,1
8,covalent,DOUB,C8,C3,,,,,13876,bmse000662,1
9,covalent,SING,C8,C4,,,,,13876,bmse000662,1
10,covalent,SING,C1,H14,,,,,13876,bmse000662,1
11,covalent,SING,C1,H15,,,,,13876,bmse000662,1
12,covalent,SING,C1,H13,,,,,13876,bmse000662,1
13,covalent,SING,C2,H18,,,,,13876,bmse000662,1
14,covalent,SING,C2,H17,,,,,13876,bmse000662,1
15,covalent,SING,C2,H16,,,,,13876,bmse000662,1
16,covalent,SING,C3,C5,,,,,13876,bmse000662,1
17,covalent,SING,C3,H19,,,,,13876,bmse000662,1
18,covalent,DOUB,C4,C6,,,,,13876,bmse000662,1
19,covalent,SING,C4,H20,,,,,13876,bmse000662,1
20,covalent,DOUB,C5,C9,,,,,13876,bmse000662,1
21,covalent,SING,C5,H21,,,,,13876,bmse000662,1
22,covalent,SING,C6,C9,,,,,13876,bmse000662,1
23,covalent,SING,C6,H22,,,,,13876,bmse000662,1
24,covalent,SING,C9,C10,,,,,13876,bmse000662,1
1,covalent,SING,C21,O26,,,,,13899,bmse000663,1
2,covalent,SING,O26,H54,,,,,13899,bmse000663,1
3,covalent,DOUB,O24,C16,,,,,13899,bmse000663,1
4,covalent,DOUB,O25,C17,,,,,13899,bmse000663,1
5,covalent,SING,O22,C11,,,,,13899,bmse000663,1
6,covalent,SING,O22,H53,,,,,13899,bmse000663,1
7,covalent,DOUB,O23,C13,,,,,13899,bmse000663,1
8,covalent,SING,C15,C20,,,,,13899,bmse000663,1
9,covalent,SING,C15,C14,,,,,13899,bmse000663,1
10,covalent,SING,C15,C6,,,,,13899,bmse000663,1
11,covalent,SING,C15,H51,,,,,13899,bmse000663,1
12,covalent,SING,C20,C21,,,,,13899,bmse000663,1
13,covalent,SING,C20,C10,,,,,13899,bmse000663,1
14,covalent,SING,C20,C2,,,,,13899,bmse000663,1
15,covalent,SING,C14,C18,,,,,13899,bmse000663,1
16,covalent,SING,C14,C4,,,,,13899,bmse000663,1
17,covalent,SING,C14,H50,,,,,13899,bmse000663,1
18,covalent,SING,C18,C19,,,,,13899,bmse000663,1
19,covalent,SING,C18,C16,,,,,13899,bmse000663,1
20,covalent,SING,C18,H52,,,,,13899,bmse000663,1
21,covalent,SING,C21,C8,,,,,13899,bmse000663,1
22,covalent,SING,C21,C17,,,,,13899,bmse000663,1
23,covalent,SING,C19,C12,,,,,13899,bmse000663,1
24,covalent,SING,C19,C7,,,,,13899,bmse000663,1
25,covalent,SING,C19,C1,,,,,13899,bmse000663,1
26,covalent,SING,C6,C8,,,,,13899,bmse000663,1
27,covalent,SING,C6,H39,,,,,13899,bmse000663,1
28,covalent,SING,C6,H40,,,,,13899,bmse000663,1
29,covalent,SING,C10,C16,,,,,13899,bmse000663,1
30,covalent,SING,C10,H46,,,,,13899,bmse000663,1
31,covalent,SING,C10,H47,,,,,13899,bmse000663,1
32,covalent,SING,C8,H43,,,,,13899,bmse000663,1
33,covalent,SING,C8,H44,,,,,13899,bmse000663,1
34,covalent,SING,C4,C3,,,,,13899,bmse000663,1
35,covalent,SING,C4,H35,,,,,13899,bmse000663,1
36,covalent,SING,C4,H36,,,,,13899,bmse000663,1
37,covalent,SING,C2,H30,,,,,13899,bmse000663,1
38,covalent,SING,C2,H32,,,,,13899,bmse000663,1
39,covalent,SING,C2,H31,,,,,13899,bmse000663,1
40,covalent,SING,C12,C3,,,,,13899,bmse000663,1
41,covalent,DOUB,C12,C9,,,,,13899,bmse000663,1
42,covalent,SING,C3,H33,,,,,13899,bmse000663,1
43,covalent,SING,C3,H34,,,,,13899,bmse000663,1
44,covalent,SING,C7,C5,,,,,13899,bmse000663,1
45,covalent,SING,C7,H41,,,,,13899,bmse000663,1
46,covalent,SING,C7,H42,,,,,13899,bmse000663,1
47,covalent,SING,C1,H27,,,,,13899,bmse000663,1
48,covalent,SING,C1,H29,,,,,13899,bmse000663,1
49,covalent,SING,C1,H28,,,,,13899,bmse000663,1
50,covalent,SING,C17,C11,,,,,13899,bmse000663,1
51,covalent,SING,C5,C13,,,,,13899,bmse000663,1
52,covalent,SING,C5,H37,,,,,13899,bmse000663,1
53,covalent,SING,C5,H38,,,,,13899,bmse000663,1
54,covalent,SING,C9,C13,,,,,13899,bmse000663,1
55,covalent,SING,C9,H45,,,,,13899,bmse000663,1
56,covalent,SING,C11,H48,,,,,13899,bmse000663,1
57,covalent,SING,C11,H49,,,,,13899,bmse000663,1
1,covalent,SING,O51,C32,,,,,13922,bmse000664,1
2,covalent,SING,O51,C34,,,,,13922,bmse000664,1
3,covalent,SING,O50,C29,,,,,13922,bmse000664,1
4,covalent,SING,C26,O50,,,,,13922,bmse000664,1
5,covalent,SING,C35,O44,,,,,13922,bmse000664,1
6,covalent,SING,O44,H117,,,,,13922,bmse000664,1
7,covalent,SING,O47,C34,,,,,13922,bmse000664,1
8,covalent,SING,O47,C19,,,,,13922,bmse000664,1
9,covalent,SING,O48,C26,,,,,13922,bmse000664,1
10,covalent,SING,O48,C23,,,,,13922,bmse000664,1
11,covalent,SING,O49,C25,,,,,13922,bmse000664,1
12,covalent,SING,O49,C33,,,,,13922,bmse000664,1
13,covalent,SING,C36,O46,,,,,13922,bmse000664,1
14,covalent,SING,O46,C13,,,,,13922,bmse000664,1
15,covalent,SING,C28,O40,,,,,13922,bmse000664,1
16,covalent,SING,O40,H114,,,,,13922,bmse000664,1
17,covalent,SING,C31,O42,,,,,13922,bmse000664,1
18,covalent,SING,O42,H116,,,,,13922,bmse000664,1
19,covalent,SING,C37,O45,,,,,13922,bmse000664,1
20,covalent,SING,O45,H118,,,,,13922,bmse000664,1
21,covalent,SING,O41,C30,,,,,13922,bmse000664,1
22,covalent,SING,O41,H115,,,,,13922,bmse000664,1
23,covalent,DOUB,O39,C27,,,,,13922,bmse000664,1
24,covalent,DOUB,O43,C33,,,,,13922,bmse000664,1
25,covalent,SING,C24,N38,,,,,13922,bmse000664,1
26,covalent,SING,N38,C11,,,,,13922,bmse000664,1
27,covalent,SING,N38,C12,,,,,13922,bmse000664,1
28,covalent,SING,C32,C21,,,,,13922,bmse000664,1
29,covalent,SING,C32,C35,,,,,13922,bmse000664,1
30,covalent,SING,C32,H112,,,,,13922,bmse000664,1
31,covalent,SING,C21,C29,,,,,13922,bmse000664,1
32,covalent,SING,C21,C5,,,,,13922,bmse000664,1
33,covalent,SING,C21,H102,,,,,13922,bmse000664,1
34,covalent,SING,C35,C16,,,,,13922,bmse000664,1
35,covalent,SING,C35,C8,,,,,13922,bmse000664,1
36,covalent,SING,C29,C22,,,,,13922,bmse000664,1
37,covalent,SING,C29,H109,,,,,13922,bmse000664,1
38,covalent,SING,C16,C18,,,,,13922,bmse000664,1
39,covalent,SING,C16,H95,,,,,13922,bmse000664,1
40,covalent,SING,C16,H96,,,,,13922,bmse000664,1
41,covalent,SING,C22,C33,,,,,13922,bmse000664,1
42,covalent,SING,C22,C6,,,,,13922,bmse000664,1
43,covalent,SING,C22,H103,,,,,13922,bmse000664,1
44,covalent,SING,C18,C27,,,,,13922,bmse000664,1
45,covalent,SING,C18,C2,,,,,13922,bmse000664,1
46,covalent,SING,C18,H99,,,,,13922,bmse000664,1
47,covalent,SING,C34,C28,,,,,13922,bmse000664,1
48,covalent,SING,C34,H113,,,,,13922,bmse000664,1
49,covalent,SING,C26,C17,,,,,13922,bmse000664,1
50,covalent,SING,C26,H107,,,,,13922,bmse000664,1
51,covalent,SING,C36,C17,,,,,13922,bmse000664,1
52,covalent,SING,C36,C31,,,,,13922,bmse000664,1
53,covalent,SING,C36,C9,,,,,13922,bmse000664,1
54,covalent,SING,C5,H65,,,,,13922,bmse000664,1
55,covalent,SING,C5,H64,,,,,13922,bmse000664,1
56,covalent,SING,C5,H66,,,,,13922,bmse000664,1
57,covalent,SING,C28,C24,,,,,13922,bmse000664,1
58,covalent,SING,C28,H108,,,,,13922,bmse000664,1
59,covalent,SING,C24,C15,,,,,13922,bmse000664,1
60,covalent,SING,C24,H105,,,,,13922,bmse000664,1
61,covalent,SING,C17,H97,,,,,13922,bmse000664,1
62,covalent,SING,C17,H98,,,,,13922,bmse000664,1
63,covalent,SING,C8,H73,,,,,13922,bmse000664,1
64,covalent,SING,C8,H75,,,,,13922,bmse000664,1
65,covalent,SING,C8,H74,,,,,13922,bmse000664,1
66,covalent,SING,C31,C23,,,,,13922,bmse000664,1
67,covalent,SING,C31,H111,,,,,13922,bmse000664,1
68,covalent,SING,C20,C30,,,,,13922,bmse000664,1
69,covalent,SING,C20,C27,,,,,13922,bmse000664,1
70,covalent,SING,C20,C4,,,,,13922,bmse000664,1
71,covalent,SING,C20,H101,,,,,13922,bmse000664,1
72,covalent,SING,C37,C30,,,,,13922,bmse000664,1
73,covalent,SING,C37,C25,,,,,13922,bmse000664,1
74,covalent,SING,C37,C10,,,,,13922,bmse000664,1
75,covalent,SING,C15,C19,,,,,13922,bmse000664,1
76,covalent,SING,C15,H93,,,,,13922,bmse000664,1
77,covalent,SING,C15,H94,,,,,13922,bmse000664,1
78,covalent,SING,C30,H110,,,,,13922,bmse000664,1
79,covalent,SING,C23,C7,,,,,13922,bmse000664,1
80,covalent,SING,C23,H104,,,,,13922,bmse000664,1
81,covalent,SING,C19,C3,,,,,13922,bmse000664,1
82,covalent,SING,C19,H100,,,,,13922,bmse000664,1
83,covalent,SING,C25,C14,,,,,13922,bmse000664,1
84,covalent,SING,C25,H106,,,,,13922,bmse000664,1
85,covalent,SING,C6,H67,,,,,13922,bmse000664,1
86,covalent,SING,C6,H69,,,,,13922,bmse000664,1
87,covalent,SING,C6,H68,,,,,13922,bmse000664,1
88,covalent,SING,C2,H57,,,,,13922,bmse000664,1
89,covalent,SING,C2,H55,,,,,13922,bmse000664,1
90,covalent,SING,C2,H56,,,,,13922,bmse000664,1
91,covalent,SING,C9,H77,,,,,13922,bmse000664,1
92,covalent,SING,C9,H78,,,,,13922,bmse000664,1
93,covalent,SING,C9,H76,,,,,13922,bmse000664,1
94,covalent,SING,C4,H61,,,,,13922,bmse000664,1
95,covalent,SING,C4,H63,,,,,13922,bmse000664,1
96,covalent,SING,C4,H62,,,,,13922,bmse000664,1
97,covalent,SING,C10,H79,,,,,13922,bmse000664,1
98,covalent,SING,C10,H80,,,,,13922,bmse000664,1
99,covalent,SING,C10,H81,,,,,13922,bmse000664,1
100,covalent,SING,C14,C1,,,,,13922,bmse000664,1
101,covalent,SING,C14,H91,,,,,13922,bmse000664,1
102,covalent,SING,C14,H92,,,,,13922,bmse000664,1
103,covalent,SING,C7,H70,,,,,13922,bmse000664,1
104,covalent,SING,C7,H71,,,,,13922,bmse000664,1
105,covalent,SING,C7,H72,,,,,13922,bmse000664,1
106,covalent,SING,C3,H58,,,,,13922,bmse000664,1
107,covalent,SING,C3,H59,,,,,13922,bmse000664,1
108,covalent,SING,C3,H60,,,,,13922,bmse000664,1
109,covalent,SING,C11,H83,,,,,13922,bmse000664,1
110,covalent,SING,C11,H84,,,,,13922,bmse000664,1
111,covalent,SING,C11,H82,,,,,13922,bmse000664,1
112,covalent,SING,C12,H87,,,,,13922,bmse000664,1
113,covalent,SING,C12,H86,,,,,13922,bmse000664,1
114,covalent,SING,C12,H85,,,,,13922,bmse000664,1
115,covalent,SING,C1,H52,,,,,13922,bmse000664,1
116,covalent,SING,C1,H53,,,,,13922,bmse000664,1
117,covalent,SING,C1,H54,,,,,13922,bmse000664,1
118,covalent,SING,C13,H89,,,,,13922,bmse000664,1
119,covalent,SING,C13,H88,,,,,13922,bmse000664,1
120,covalent,SING,C13,H90,,,,,13922,bmse000664,1
1,covalent,DOUB,O21,C17,,,,,13943,bmse000665,1
2,covalent,SING,C13,O20,,,,,13943,bmse000665,1
3,covalent,SING,O20,H49,,,,,13943,bmse000665,1
4,covalent,SING,C16,C14,,,,,13943,bmse000665,1
5,covalent,SING,C16,C18,,,,,13943,bmse000665,1
6,covalent,SING,C16,C8,,,,,13943,bmse000665,1
7,covalent,SING,C16,H48,,,,,13943,bmse000665,1
8,covalent,SING,C14,C15,,,,,13943,bmse000665,1
9,covalent,SING,C14,C4,,,,,13943,bmse000665,1
10,covalent,SING,C14,H46,,,,,13943,bmse000665,1
11,covalent,SING,C15,C19,,,,,13943,bmse000665,1
12,covalent,SING,C15,C5,,,,,13943,bmse000665,1
13,covalent,SING,C15,H47,,,,,13943,bmse000665,1
14,covalent,SING,C19,C10,,,,,13943,bmse000665,1
15,covalent,SING,C19,C17,,,,,13943,bmse000665,1
16,covalent,SING,C19,C2,,,,,13943,bmse000665,1
17,covalent,SING,C18,C12,,,,,13943,bmse000665,1
18,covalent,SING,C18,C9,,,,,13943,bmse000665,1
19,covalent,SING,C18,C1,,,,,13943,bmse000665,1
20,covalent,SING,C8,C10,,,,,13943,bmse000665,1
21,covalent,SING,C8,H37,,,,,13943,bmse000665,1
22,covalent,SING,C8,H38,,,,,13943,bmse000665,1
23,covalent,SING,C10,H41,,,,,13943,bmse000665,1
24,covalent,SING,C10,H42,,,,,13943,bmse000665,1
25,covalent,SING,C5,C6,,,,,13943,bmse000665,1
26,covalent,SING,C5,H31,,,,,13943,bmse000665,1
27,covalent,SING,C5,H32,,,,,13943,bmse000665,1
28,covalent,SING,C4,C3,,,,,13943,bmse000665,1
29,covalent,SING,C4,H29,,,,,13943,bmse000665,1
30,covalent,SING,C4,H30,,,,,13943,bmse000665,1
31,covalent,DOUB,C12,C3,,,,,13943,bmse000665,1
32,covalent,SING,C12,C11,,,,,13943,bmse000665,1
33,covalent,SING,C9,C7,,,,,13943,bmse000665,1
34,covalent,SING,C9,H39,,,,,13943,bmse000665,1
35,covalent,SING,C9,H40,,,,,13943,bmse000665,1
36,covalent,SING,C17,C6,,,,,13943,bmse000665,1
37,covalent,SING,C6,H33,,,,,13943,bmse000665,1
38,covalent,SING,C6,H34,,,,,13943,bmse000665,1
39,covalent,SING,C3,H28,,,,,13943,bmse000665,1
40,covalent,SING,C2,H27,,,,,13943,bmse000665,1
41,covalent,SING,C2,H26,,,,,13943,bmse000665,1
42,covalent,SING,C2,H25,,,,,13943,bmse000665,1
43,covalent,SING,C1,H22,,,,,13943,bmse000665,1
44,covalent,SING,C1,H23,,,,,13943,bmse000665,1
45,covalent,SING,C1,H24,,,,,13943,bmse000665,1
46,covalent,SING,C11,C13,,,,,13943,bmse000665,1
47,covalent,SING,C11,H43,,,,,13943,bmse000665,1
48,covalent,SING,C11,H44,,,,,13943,bmse000665,1
49,covalent,SING,C7,C13,,,,,13943,bmse000665,1
50,covalent,SING,C7,H35,,,,,13943,bmse000665,1
51,covalent,SING,C7,H36,,,,,13943,bmse000665,1
52,covalent,SING,C13,H45,,,,,13943,bmse000665,1
1,covalent,SING,N13,C11,,,,,13964,bmse000666,1
2,covalent,SING,N13,C12,,,,,13964,bmse000666,1
3,covalent,SING,N13,H22,,,,,13964,bmse000666,1
4,covalent,SING,C9,C10,,,,,13964,bmse000666,1
5,covalent,SING,C9,C11,,,,,13964,bmse000666,1
6,covalent,DOUB,C9,C5,,,,,13964,bmse000666,1
7,covalent,SING,C10,C12,,,,,13964,bmse000666,1
8,covalent,DOUB,C10,C6,,,,,13964,bmse000666,1
9,covalent,DOUB,C11,C7,,,,,13964,bmse000666,1
10,covalent,DOUB,C12,C8,,,,,13964,bmse000666,1
11,covalent,SING,C5,C1,,,,,13964,bmse000666,1
12,covalent,SING,C5,H18,,,,,13964,bmse000666,1
13,covalent,SING,C6,C2,,,,,13964,bmse000666,1
14,covalent,SING,C6,H19,,,,,13964,bmse000666,1
15,covalent,SING,C7,C3,,,,,13964,bmse000666,1
16,covalent,SING,C7,H20,,,,,13964,bmse000666,1
17,covalent,SING,C8,C4,,,,,13964,bmse000666,1
18,covalent,SING,C8,H21,,,,,13964,bmse000666,1
19,covalent,DOUB,C1,C3,,,,,13964,bmse000666,1
20,covalent,SING,C1,H14,,,,,13964,bmse000666,1
21,covalent,DOUB,C2,C4,,,,,13964,bmse000666,1
22,covalent,SING,C2,H15,,,,,13964,bmse000666,1
23,covalent,SING,C3,H16,,,,,13964,bmse000666,1
24,covalent,SING,C4,H17,,,,,13964,bmse000666,1
1,covalent,SING,O11,C10,,,,,13985,bmse000667,1
2,covalent,SING,O11,H29,,,,,13985,bmse000667,1
3,covalent,SING,C9,C10,,,,,13985,bmse000667,1
4,covalent,SING,C9,C7,,,,,13985,bmse000667,1
5,covalent,SING,C9,C6,,,,,13985,bmse000667,1
6,covalent,SING,C9,H28,,,,,13985,bmse000667,1
7,covalent,SING,C10,C2,,,,,13985,bmse000667,1
8,covalent,SING,C10,C3,,,,,13985,bmse000667,1
9,covalent,SING,C7,C5,,,,,13985,bmse000667,1
10,covalent,SING,C7,H26,,,,,13985,bmse000667,1
11,covalent,SING,C7,H27,,,,,13985,bmse000667,1
12,covalent,SING,C6,C4,,,,,13985,bmse000667,1
13,covalent,SING,C6,H24,,,,,13985,bmse000667,1
14,covalent,SING,C6,H25,,,,,13985,bmse000667,1
15,covalent,SING,C5,C8,,,,,13985,bmse000667,1
16,covalent,SING,C5,H22,,,,,13985,bmse000667,1
17,covalent,SING,C5,H23,,,,,13985,bmse000667,1
18,covalent,DOUB,C8,C4,,,,,13985,bmse000667,1
19,covalent,SING,C8,C1,,,,,13985,bmse000667,1
20,covalent,SING,C4,H21,,,,,13985,bmse000667,1
21,covalent,SING,C2,H15,,,,,13985,bmse000667,1
22,covalent,SING,C2,H16,,,,,13985,bmse000667,1
23,covalent,SING,C2,H17,,,,,13985,bmse000667,1
24,covalent,SING,C3,H19,,,,,13985,bmse000667,1
25,covalent,SING,C3,H18,,,,,13985,bmse000667,1
26,covalent,SING,C3,H20,,,,,13985,bmse000667,1
27,covalent,SING,C1,H13,,,,,13985,bmse000667,1
28,covalent,SING,C1,H12,,,,,13985,bmse000667,1
29,covalent,SING,C1,H14,,,,,13985,bmse000667,1
1,covalent,DOUB,O9,C7,,,,,14006,bmse000668,1
2,covalent,SING,N8,C7,,,,,14006,bmse000668,1
3,covalent,SING,N8,H15,,,,,14006,bmse000668,1
4,covalent,SING,N8,H16,,,,,14006,bmse000668,1
5,covalent,DOUB,C6,C4,,,,,14006,bmse000668,1
6,covalent,SING,C6,C5,,,,,14006,bmse000668,1
7,covalent,SING,C6,C7,,,,,14006,bmse000668,1
8,covalent,SING,C4,C2,,,,,14006,bmse000668,1
9,covalent,SING,C4,H13,,,,,14006,bmse000668,1
10,covalent,DOUB,C5,C3,,,,,14006,bmse000668,1
11,covalent,SING,C5,H14,,,,,14006,bmse000668,1
12,covalent,DOUB,C2,C1,,,,,14006,bmse000668,1
13,covalent,SING,C2,H11,,,,,14006,bmse000668,1
14,covalent,SING,C3,C1,,,,,14006,bmse000668,1
15,covalent,SING,C3,H12,,,,,14006,bmse000668,1
16,covalent,SING,C1,H10,,,,,14006,bmse000668,1
1,covalent,SING,C17,O24,,,,,14027,bmse000669,1
2,covalent,SING,O24,H55,,,,,14027,bmse000669,1
3,covalent,DOUB,O25,C18,,,,,14027,bmse000669,1
4,covalent,DOUB,O23,C13,,,,,14027,bmse000669,1
5,covalent,SING,O22,C11,,,,,14027,bmse000669,1
6,covalent,SING,O22,H54,,,,,14027,bmse000669,1
7,covalent,SING,C15,C21,,,,,14027,bmse000669,1
8,covalent,SING,C15,C14,,,,,14027,bmse000669,1
9,covalent,SING,C15,C5,,,,,14027,bmse000669,1
10,covalent,SING,C15,H50,,,,,14027,bmse000669,1
11,covalent,SING,C21,C10,,,,,14027,bmse000669,1
12,covalent,SING,C21,C16,,,,,14027,bmse000669,1
13,covalent,SING,C21,C2,,,,,14027,bmse000669,1
14,covalent,SING,C14,C19,,,,,14027,bmse000669,1
15,covalent,SING,C14,C4,,,,,14027,bmse000669,1
16,covalent,SING,C14,H49,,,,,14027,bmse000669,1
17,covalent,SING,C19,C20,,,,,14027,bmse000669,1
18,covalent,SING,C19,C17,,,,,14027,bmse000669,1
19,covalent,SING,C19,H53,,,,,14027,bmse000669,1
20,covalent,SING,C20,C12,,,,,14027,bmse000669,1
21,covalent,SING,C20,C8,,,,,14027,bmse000669,1
22,covalent,SING,C20,C1,,,,,14027,bmse000669,1
23,covalent,SING,C10,C17,,,,,14027,bmse000669,1
24,covalent,SING,C10,H45,,,,,14027,bmse000669,1
25,covalent,SING,C10,H46,,,,,14027,bmse000669,1
26,covalent,SING,C16,C6,,,,,14027,bmse000669,1
27,covalent,SING,C16,C18,,,,,14027,bmse000669,1
28,covalent,SING,C16,H51,,,,,14027,bmse000669,1
29,covalent,SING,C17,H52,,,,,14027,bmse000669,1
30,covalent,SING,C5,C6,,,,,14027,bmse000669,1
31,covalent,SING,C5,H36,,,,,14027,bmse000669,1
32,covalent,SING,C5,H37,,,,,14027,bmse000669,1
33,covalent,SING,C4,C3,,,,,14027,bmse000669,1
34,covalent,SING,C4,H34,,,,,14027,bmse000669,1
35,covalent,SING,C4,H35,,,,,14027,bmse000669,1
36,covalent,SING,C6,H38,,,,,14027,bmse000669,1
37,covalent,SING,C6,H39,,,,,14027,bmse000669,1
38,covalent,SING,C12,C3,,,,,14027,bmse000669,1
39,covalent,DOUB,C12,C9,,,,,14027,bmse000669,1
40,covalent,SING,C2,H29,,,,,14027,bmse000669,1
41,covalent,SING,C2,H31,,,,,14027,bmse000669,1
42,covalent,SING,C2,H30,,,,,14027,bmse000669,1
43,covalent,SING,C3,H32,,,,,14027,bmse000669,1
44,covalent,SING,C3,H33,,,,,14027,bmse000669,1
45,covalent,SING,C8,C7,,,,,14027,bmse000669,1
46,covalent,SING,C8,H42,,,,,14027,bmse000669,1
47,covalent,SING,C8,H43,,,,,14027,bmse000669,1
48,covalent,SING,C1,H26,,,,,14027,bmse000669,1
49,covalent,SING,C1,H28,,,,,14027,bmse000669,1
50,covalent,SING,C1,H27,,,,,14027,bmse000669,1
51,covalent,SING,C18,C11,,,,,14027,bmse000669,1
52,covalent,SING,C7,C13,,,,,14027,bmse000669,1
53,covalent,SING,C7,H40,,,,,14027,bmse000669,1
54,covalent,SING,C7,H41,,,,,14027,bmse000669,1
55,covalent,SING,C9,C13,,,,,14027,bmse000669,1
56,covalent,SING,C9,H44,,,,,14027,bmse000669,1
57,covalent,SING,C11,H47,,,,,14027,bmse000669,1
58,covalent,SING,C11,H48,,,,,14027,bmse000669,1
1,covalent,SING,O10,C8,,,,,14049,bmse000670,1
2,covalent,SING,O10,H18,,,,,14049,bmse000670,1
3,covalent,DOUB,O9,C6,,,,,14049,bmse000670,1
4,covalent,DOUB,C7,C2,,,,,14049,bmse000670,1
5,covalent,SING,C7,C3,,,,,14049,bmse000670,1
6,covalent,SING,C7,C6,,,,,14049,bmse000670,1
7,covalent,SING,C2,C4,,,,,14049,bmse000670,1
8,covalent,SING,C2,H14,,,,,14049,bmse000670,1
9,covalent,DOUB,C3,C5,,,,,14049,bmse000670,1
10,covalent,SING,C3,H15,,,,,14049,bmse000670,1
11,covalent,SING,C6,C1,,,,,14049,bmse000670,1
12,covalent,DOUB,C4,C8,,,,,14049,bmse000670,1
13,covalent,SING,C4,H16,,,,,14049,bmse000670,1
14,covalent,SING,C5,C8,,,,,14049,bmse000670,1
15,covalent,SING,C5,H17,,,,,14049,bmse000670,1
16,covalent,SING,C1,H12,,,,,14049,bmse000670,1
17,covalent,SING,C1,H13,,,,,14049,bmse000670,1
18,covalent,SING,C1,H11,,,,,14049,bmse000670,1
1,covalent,SING,Cl15,C12,,,,,14070,bmse000671,1
2,covalent,SING,Cl16,C13,,,,,14070,bmse000671,1
3,covalent,SING,O17,C9,,,,,14070,bmse000671,1
4,covalent,SING,O17,H29,,,,,14070,bmse000671,1
5,covalent,SING,C14,C10,,,,,14070,bmse000671,1
6,covalent,SING,C14,C11,,,,,14070,bmse000671,1
7,covalent,SING,C14,C9,,,,,14070,bmse000671,1
8,covalent,SING,C14,H28,,,,,14070,bmse000671,1
9,covalent,DOUB,C10,C1,,,,,14070,bmse000671,1
10,covalent,SING,C10,C2,,,,,14070,bmse000671,1
11,covalent,DOUB,C11,C3,,,,,14070,bmse000671,1
12,covalent,SING,C11,C4,,,,,14070,bmse000671,1
13,covalent,SING,C9,H26,,,,,14070,bmse000671,1
14,covalent,SING,C9,H27,,,,,14070,bmse000671,1
15,covalent,SING,C1,C5,,,,,14070,bmse000671,1
16,covalent,SING,C1,H18,,,,,14070,bmse000671,1
17,covalent,SING,C3,C7,,,,,14070,bmse000671,1
18,covalent,SING,C3,H20,,,,,14070,bmse000671,1
19,covalent,DOUB,C2,C6,,,,,14070,bmse000671,1
20,covalent,SING,C2,H19,,,,,14070,bmse000671,1
21,covalent,DOUB,C4,C8,,,,,14070,bmse000671,1
22,covalent,SING,C4,H21,,,,,14070,bmse000671,1
23,covalent,DOUB,C5,C12,,,,,14070,bmse000671,1
24,covalent,SING,C5,H22,,,,,14070,bmse000671,1
25,covalent,DOUB,C7,C13,,,,,14070,bmse000671,1
26,covalent,SING,C7,H24,,,,,14070,bmse000671,1
27,covalent,SING,C6,C12,,,,,14070,bmse000671,1
28,covalent,SING,C6,H23,,,,,14070,bmse000671,1
29,covalent,SING,C8,C13,,,,,14070,bmse000671,1
30,covalent,SING,C8,H25,,,,,14070,bmse000671,1
1,covalent,SING,Cl9,C6,,,,,14092,bmse000672,1
2,covalent,SING,Cl8,C4,,,,,14092,bmse000672,1
3,covalent,SING,O10,C7,,,,,14092,bmse000672,1
4,covalent,SING,O10,H15,,,,,14092,bmse000672,1
5,covalent,DOUB,O11,C7,,,,,14092,bmse000672,1
6,covalent,DOUB,C5,C6,,,,,14092,bmse000672,1
7,covalent,SING,C5,C2,,,,,14092,bmse000672,1
8,covalent,SING,C5,C7,,,,,14092,bmse000672,1
9,covalent,SING,C6,C3,,,,,14092,bmse000672,1
10,covalent,DOUB,C2,C1,,,,,14092,bmse000672,1
11,covalent,SING,C2,H13,,,,,14092,bmse000672,1
12,covalent,DOUB,C3,C4,,,,,14092,bmse000672,1
13,covalent,SING,C3,H14,,,,,14092,bmse000672,1
14,covalent,SING,C1,C4,,,,,14092,bmse000672,1
15,covalent,SING,C1,H12,,,,,14092,bmse000672,1
1,covalent,SING,Cl8,C5,,,,,14113,bmse000673,1
2,covalent,SING,Cl7,C4,,,,,14113,bmse000673,1
3,covalent,SING,O9,C6,,,,,14113,bmse000673,1
4,covalent,SING,O9,H13,,,,,14113,bmse000673,1
5,covalent,DOUB,C6,C5,,,,,14113,bmse000673,1
6,covalent,SING,C6,C3,,,,,14113,bmse000673,1
7,covalent,SING,C5,C2,,,,,14113,bmse000673,1
8,covalent,DOUB,C3,C4,,,,,14113,bmse000673,1
9,covalent,SING,C3,H12,,,,,14113,bmse000673,1
10,covalent,SING,C4,C1,,,,,14113,bmse000673,1
11,covalent,DOUB,C2,C1,,,,,14113,bmse000673,1
12,covalent,SING,C2,H11,,,,,14113,bmse000673,1
13,covalent,SING,C1,H10,,,,,14113,bmse000673,1
1,covalent,SING,Cl7,C4,,,,,14135,bmse000674,1
2,covalent,SING,Cl8,C5,,,,,14135,bmse000674,1
3,covalent,SING,O9,C6,,,,,14135,bmse000674,1
4,covalent,SING,O9,H13,,,,,14135,bmse000674,1
5,covalent,DOUB,C6,C4,,,,,14135,bmse000674,1
6,covalent,SING,C6,C5,,,,,14135,bmse000674,1
7,covalent,SING,C4,C2,,,,,14135,bmse000674,1
8,covalent,DOUB,C5,C3,,,,,14135,bmse000674,1
9,covalent,DOUB,C2,C1,,,,,14135,bmse000674,1
10,covalent,SING,C2,H11,,,,,14135,bmse000674,1
11,covalent,SING,C3,C1,,,,,14135,bmse000674,1
12,covalent,SING,C3,H12,,,,,14135,bmse000674,1
13,covalent,SING,C1,H10,,,,,14135,bmse000674,1
1,covalent,SING,O10,C9,,,,,14156,bmse000675,1
2,covalent,SING,O10,H21,,,,,14156,bmse000675,1
3,covalent,DOUB,O11,C9,,,,,14156,bmse000675,1
4,covalent,SING,C6,C8,,,,,14156,bmse000675,1
5,covalent,SING,C6,C7,,,,,14156,bmse000675,1
6,covalent,SING,C6,H17,,,,,14156,bmse000675,1
7,covalent,SING,C6,H18,,,,,14156,bmse000675,1
8,covalent,DOUB,C8,C4,,,,,14156,bmse000675,1
9,covalent,SING,C8,C5,,,,,14156,bmse000675,1
10,covalent,SING,C7,C9,,,,,14156,bmse000675,1
11,covalent,SING,C7,H19,,,,,14156,bmse000675,1
12,covalent,SING,C7,H20,,,,,14156,bmse000675,1
13,covalent,SING,C4,C2,,,,,14156,bmse000675,1
14,covalent,SING,C4,H15,,,,,14156,bmse000675,1
15,covalent,DOUB,C5,C3,,,,,14156,bmse000675,1
16,covalent,SING,C5,H16,,,,,14156,bmse000675,1
17,covalent,DOUB,C2,C1,,,,,14156,bmse000675,1
18,covalent,SING,C2,H13,,,,,14156,bmse000675,1
19,covalent,SING,C3,C1,,,,,14156,bmse000675,1
20,covalent,SING,C3,H14,,,,,14156,bmse000675,1
21,covalent,SING,C1,H12,,,,,14156,bmse000675,1
1,covalent,SING,O8,N7,,,,,14177,bmse000676,1
2,covalent,DOUB,O9,N7,,,,,14177,bmse000676,1
3,covalent,SING,N7,C6,,,,,14177,bmse000676,1
4,covalent,DOUB,C6,C4,,,,,14177,bmse000676,1
5,covalent,SING,C6,C5,,,,,14177,bmse000676,1
6,covalent,SING,C4,C2,,,,,14177,bmse000676,1
7,covalent,SING,C4,H13,,,,,14177,bmse000676,1
8,covalent,DOUB,C5,C3,,,,,14177,bmse000676,1
9,covalent,SING,C5,H14,,,,,14177,bmse000676,1
10,covalent,DOUB,C2,C1,,,,,14177,bmse000676,1
11,covalent,SING,C2,H11,,,,,14177,bmse000676,1
12,covalent,SING,C3,C1,,,,,14177,bmse000676,1
13,covalent,SING,C3,H12,,,,,14177,bmse000676,1
14,covalent,SING,C1,H10,,,,,14177,bmse000676,1
1,covalent,SING,O9,C7,,,,,14198,bmse000677,1
2,covalent,SING,O9,H15,,,,,14198,bmse000677,1
3,covalent,DOUB,O8,C5,,,,,14198,bmse000677,1
4,covalent,SING,C6,C7,,,,,14198,bmse000677,1
5,covalent,DOUB,C6,C3,,,,,14198,bmse000677,1
6,covalent,SING,C6,C5,,,,,14198,bmse000677,1
7,covalent,DOUB,C7,C4,,,,,14198,bmse000677,1
8,covalent,SING,C3,C1,,,,,14198,bmse000677,1
9,covalent,SING,C3,H12,,,,,14198,bmse000677,1
10,covalent,SING,C4,C2,,,,,14198,bmse000677,1
11,covalent,SING,C4,H13,,,,,14198,bmse000677,1
12,covalent,DOUB,C1,C2,,,,,14198,bmse000677,1
13,covalent,SING,C1,H10,,,,,14198,bmse000677,1
14,covalent,SING,C2,H11,,,,,14198,bmse000677,1
15,covalent,SING,C5,H14,,,,,14198,bmse000677,1
1,covalent,SING,Cl8,C4,,,,,14219,bmse000678,1
2,covalent,SING,Cl9,C5,,,,,14219,bmse000678,1
3,covalent,SING,Cl7,C3,,,,,14219,bmse000678,1
4,covalent,SING,O10,C6,,,,,14219,bmse000678,1
5,covalent,SING,O10,H13,,,,,14219,bmse000678,1
6,covalent,DOUB,C6,C4,,,,,14219,bmse000678,1
7,covalent,SING,C6,C5,,,,,14219,bmse000678,1
8,covalent,SING,C4,C1,,,,,14219,bmse000678,1
9,covalent,DOUB,C5,C2,,,,,14219,bmse000678,1
10,covalent,DOUB,C1,C3,,,,,14219,bmse000678,1
11,covalent,SING,C1,H11,,,,,14219,bmse000678,1
12,covalent,SING,C2,C3,,,,,14219,bmse000678,1
13,covalent,SING,C2,H12,,,,,14219,bmse000678,1
1,covalent,DOUB,O12,C8,,,,,14240,bmse000679,1
2,covalent,SING,C11,C10,,,,,14240,bmse000679,1
3,covalent,SING,C11,C7,,,,,14240,bmse000679,1
4,covalent,DOUB,C11,C4,,,,,14240,bmse000679,1
5,covalent,SING,C10,C6,,,,,14240,bmse000679,1
6,covalent,DOUB,C10,C3,,,,,14240,bmse000679,1
7,covalent,DOUB,C7,C9,,,,,14240,bmse000679,1
8,covalent,SING,C7,H19,,,,,14240,bmse000679,1
9,covalent,DOUB,C6,C5,,,,,14240,bmse000679,1
10,covalent,SING,C6,H18,,,,,14240,bmse000679,1
11,covalent,SING,C9,C5,,,,,14240,bmse000679,1
12,covalent,SING,C9,C8,,,,,14240,bmse000679,1
13,covalent,SING,C4,C2,,,,,14240,bmse000679,1
14,covalent,SING,C4,H16,,,,,14240,bmse000679,1
15,covalent,SING,C3,C1,,,,,14240,bmse000679,1
16,covalent,SING,C3,H15,,,,,14240,bmse000679,1
17,covalent,SING,C5,H17,,,,,14240,bmse000679,1
18,covalent,DOUB,C2,C1,,,,,14240,bmse000679,1
19,covalent,SING,C2,H14,,,,,14240,bmse000679,1
20,covalent,SING,C1,H13,,,,,14240,bmse000679,1
21,covalent,SING,C8,H20,,,,,14240,bmse000679,1
1,covalent,SING,O11,C8,,,,,14261,bmse000680,1
2,covalent,SING,O11,H22,,,,,14261,bmse000680,1
3,covalent,SING,O10,C7,,,,,14261,bmse000680,1
4,covalent,SING,O10,H21,,,,,14261,bmse000680,1
5,covalent,SING,O12,C9,,,,,14261,bmse000680,1
6,covalent,SING,O12,H23,,,,,14261,bmse000680,1
7,covalent,DOUB,O13,C9,,,,,14261,bmse000680,1
8,covalent,SING,C2,C6,,,,,14261,bmse000680,1
9,covalent,SING,C2,C4,,,,,14261,bmse000680,1
10,covalent,SING,C2,H15,,,,,14261,bmse000680,1
11,covalent,SING,C2,H16,,,,,14261,bmse000680,1
12,covalent,DOUB,C6,C5,,,,,14261,bmse000680,1
13,covalent,SING,C6,C1,,,,,14261,bmse000680,1
14,covalent,SING,C4,C9,,,,,14261,bmse000680,1
15,covalent,SING,C4,H18,,,,,14261,bmse000680,1
16,covalent,SING,C4,H19,,,,,14261,bmse000680,1
17,covalent,SING,C5,C8,,,,,14261,bmse000680,1
18,covalent,SING,C5,H20,,,,,14261,bmse000680,1
19,covalent,DOUB,C1,C3,,,,,14261,bmse000680,1
20,covalent,SING,C1,H14,,,,,14261,bmse000680,1
21,covalent,DOUB,C8,C7,,,,,14261,bmse000680,1
22,covalent,SING,C3,C7,,,,,14261,bmse000680,1
23,covalent,SING,C3,H17,,,,,14261,bmse000680,1
1,covalent,SING,O9,C8,,,,,14283,bmse000681,1
2,covalent,SING,O9,H19,,,,,14283,bmse000681,1
3,covalent,SING,C7,C2,,,,,14283,bmse000681,1
4,covalent,DOUB,C7,C3,,,,,14283,bmse000681,1
5,covalent,SING,C7,C4,,,,,14283,bmse000681,1
6,covalent,SING,C2,C1,,,,,14283,bmse000681,1
7,covalent,SING,C2,H13,,,,,14283,bmse000681,1
8,covalent,SING,C2,H14,,,,,14283,bmse000681,1
9,covalent,SING,C3,C5,,,,,14283,bmse000681,1
10,covalent,SING,C3,H15,,,,,14283,bmse000681,1
11,covalent,DOUB,C4,C6,,,,,14283,bmse000681,1
12,covalent,SING,C4,H16,,,,,14283,bmse000681,1
13,covalent,SING,C1,H12,,,,,14283,bmse000681,1
14,covalent,SING,C1,H10,,,,,14283,bmse000681,1
15,covalent,SING,C1,H11,,,,,14283,bmse000681,1
16,covalent,DOUB,C5,C8,,,,,14283,bmse000681,1
17,covalent,SING,C5,H17,,,,,14283,bmse000681,1
18,covalent,SING,C6,C8,,,,,14283,bmse000681,1
19,covalent,SING,C6,H18,,,,,14283,bmse000681,1
1,covalent,SING,O14,C9,,,,,14305,bmse000682,1
2,covalent,SING,O14,C2,,,,,14305,bmse000682,1
3,covalent,SING,O13,C8,,,,,14305,bmse000682,1
4,covalent,SING,O13,C1,,,,,14305,bmse000682,1
5,covalent,SING,O11,C10,,,,,14305,bmse000682,1
6,covalent,SING,O11,H26,,,,,14305,bmse000682,1
7,covalent,DOUB,O12,C10,,,,,14305,bmse000682,1
8,covalent,DOUB,C7,C5,,,,,14305,bmse000682,1
9,covalent,SING,C7,C6,,,,,14305,bmse000682,1
10,covalent,SING,C7,C3,,,,,14305,bmse000682,1
11,covalent,SING,C5,C9,,,,,14305,bmse000682,1
12,covalent,SING,C5,H23,,,,,14305,bmse000682,1
13,covalent,SING,C6,C10,,,,,14305,bmse000682,1
14,covalent,SING,C6,H24,,,,,14305,bmse000682,1
15,covalent,SING,C6,H25,,,,,14305,bmse000682,1
16,covalent,DOUB,C9,C8,,,,,14305,bmse000682,1
17,covalent,DOUB,C3,C4,,,,,14305,bmse000682,1
18,covalent,SING,C3,H21,,,,,14305,bmse000682,1
19,covalent,SING,C8,C4,,,,,14305,bmse000682,1
20,covalent,SING,C4,H22,,,,,14305,bmse000682,1
21,covalent,SING,C2,H20,,,,,14305,bmse000682,1
22,covalent,SING,C2,H19,,,,,14305,bmse000682,1
23,covalent,SING,C2,H18,,,,,14305,bmse000682,1
24,covalent,SING,C1,H15,,,,,14305,bmse000682,1
25,covalent,SING,C1,H16,,,,,14305,bmse000682,1
26,covalent,SING,C1,H17,,,,,14305,bmse000682,1
1,covalent,SING,O12,C8,,,,,14326,bmse000683,1
2,covalent,SING,O12,H22,,,,,14326,bmse000683,1
3,covalent,SING,C11,C10,,,,,14326,bmse000683,1
4,covalent,SING,C11,C7,,,,,14326,bmse000683,1
5,covalent,DOUB,C11,C4,,,,,14326,bmse000683,1
6,covalent,SING,C10,C6,,,,,14326,bmse000683,1
7,covalent,DOUB,C10,C3,,,,,14326,bmse000683,1
8,covalent,DOUB,C9,C7,,,,,14326,bmse000683,1
9,covalent,SING,C9,C5,,,,,14326,bmse000683,1
10,covalent,SING,C9,C8,,,,,14326,bmse000683,1
11,covalent,SING,C7,H19,,,,,14326,bmse000683,1
12,covalent,DOUB,C6,C5,,,,,14326,bmse000683,1
13,covalent,SING,C6,H18,,,,,14326,bmse000683,1
14,covalent,SING,C5,H17,,,,,14326,bmse000683,1
15,covalent,SING,C4,C2,,,,,14326,bmse000683,1
16,covalent,SING,C4,H16,,,,,14326,bmse000683,1
17,covalent,SING,C3,C1,,,,,14326,bmse000683,1
18,covalent,SING,C3,H15,,,,,14326,bmse000683,1
19,covalent,SING,C8,H20,,,,,14326,bmse000683,1
20,covalent,SING,C8,H21,,,,,14326,bmse000683,1
21,covalent,DOUB,C2,C1,,,,,14326,bmse000683,1
22,covalent,SING,C2,H14,,,,,14326,bmse000683,1
23,covalent,SING,C1,H13,,,,,14326,bmse000683,1
1,covalent,SING,O11,C7,,,,,14348,bmse000684,1
2,covalent,SING,O11,H20,,,,,14348,bmse000684,1
3,covalent,SING,O10,C6,,,,,14348,bmse000684,1
4,covalent,SING,O10,H19,,,,,14348,bmse000684,1
5,covalent,SING,O9,C5,,,,,14348,bmse000684,1
6,covalent,SING,O9,H18,,,,,14348,bmse000684,1
7,covalent,SING,O12,C8,,,,,14348,bmse000684,1
8,covalent,SING,O12,H21,,,,,14348,bmse000684,1
9,covalent,DOUB,O13,C8,,,,,14348,bmse000684,1
10,covalent,SING,C4,C7,,,,,14348,bmse000684,1
11,covalent,DOUB,C4,C3,,,,,14348,bmse000684,1
12,covalent,SING,C4,C1,,,,,14348,bmse000684,1
13,covalent,SING,C7,C8,,,,,14348,bmse000684,1
14,covalent,SING,C7,H17,,,,,14348,bmse000684,1
15,covalent,SING,C3,C6,,,,,14348,bmse000684,1
16,covalent,SING,C3,H16,,,,,14348,bmse000684,1
17,covalent,DOUB,C1,C2,,,,,14348,bmse000684,1
18,covalent,SING,C1,H14,,,,,14348,bmse000684,1
19,covalent,DOUB,C6,C5,,,,,14348,bmse000684,1
20,covalent,SING,C2,C5,,,,,14348,bmse000684,1
21,covalent,SING,C2,H15,,,,,14348,bmse000684,1
1,covalent,DOUB,O13,C10,,,,,14369,bmse000685,1
2,covalent,SING,O14,C11,,,,,14369,bmse000685,1
3,covalent,SING,O14,H24,,,,,14369,bmse000685,1
4,covalent,DOUB,O15,C11,,,,,14369,bmse000685,1
5,covalent,SING,N12,C9,,,,,14369,bmse000685,1
6,covalent,SING,N12,C6,,,,,14369,bmse000685,1
7,covalent,SING,N12,H23,,,,,14369,bmse000685,1
8,covalent,SING,C7,C8,,,,,14369,bmse000685,1
9,covalent,SING,C7,C5,,,,,14369,bmse000685,1
10,covalent,DOUB,C7,C6,,,,,14369,bmse000685,1
11,covalent,SING,C8,C9,,,,,14369,bmse000685,1
12,covalent,DOUB,C8,C3,,,,,14369,bmse000685,1
13,covalent,DOUB,C9,C4,,,,,14369,bmse000685,1
14,covalent,SING,C5,C10,,,,,14369,bmse000685,1
15,covalent,SING,C5,H20,,,,,14369,bmse000685,1
16,covalent,SING,C5,H21,,,,,14369,bmse000685,1
17,covalent,SING,C6,H22,,,,,14369,bmse000685,1
18,covalent,SING,C3,C1,,,,,14369,bmse000685,1
19,covalent,SING,C3,H18,,,,,14369,bmse000685,1
20,covalent,SING,C4,C2,,,,,14369,bmse000685,1
21,covalent,SING,C4,H19,,,,,14369,bmse000685,1
22,covalent,DOUB,C1,C2,,,,,14369,bmse000685,1
23,covalent,SING,C1,H16,,,,,14369,bmse000685,1
24,covalent,SING,C2,H17,,,,,14369,bmse000685,1
25,covalent,SING,C10,C11,,,,,14369,bmse000685,1
1,covalent,SING,C17,O25,,,,,14389,bmse000686,1
2,covalent,SING,O25,H66,,,,,14389,bmse000686,1
3,covalent,SING,O26,C22,,,,,14389,bmse000686,1
4,covalent,SING,O26,H67,,,,,14389,bmse000686,1
5,covalent,DOUB,O27,C22,,,,,14389,bmse000686,1
6,covalent,SING,C24,C20,,,,,14389,bmse000686,1
7,covalent,SING,C24,C19,,,,,14389,bmse000686,1
8,covalent,SING,C24,C13,,,,,14389,bmse000686,1
9,covalent,SING,C24,C3,,,,,14389,bmse000686,1
10,covalent,SING,C20,C18,,,,,14389,bmse000686,1
11,covalent,SING,C20,C8,,,,,14389,bmse000686,1
12,covalent,SING,C20,H64,,,,,14389,bmse000686,1
13,covalent,SING,C18,C21,,,,,14389,bmse000686,1
14,covalent,SING,C18,C6,,,,,14389,bmse000686,1
15,covalent,SING,C18,H62,,,,,14389,bmse000686,1
16,covalent,SING,C21,C23,,,,,14389,bmse000686,1
17,covalent,SING,C21,C11,,,,,14389,bmse000686,1
18,covalent,SING,C21,H65,,,,,14389,bmse000686,1
19,covalent,SING,C23,C16,,,,,14389,bmse000686,1
20,covalent,SING,C23,C12,,,,,14389,bmse000686,1
21,covalent,SING,C23,C2,,,,,14389,bmse000686,1
22,covalent,SING,C19,C7,,,,,14389,bmse000686,1
23,covalent,SING,C19,C15,,,,,14389,bmse000686,1
24,covalent,SING,C19,H63,,,,,14389,bmse000686,1
25,covalent,SING,C13,C11,,,,,14389,bmse000686,1
26,covalent,SING,C13,H55,,,,,14389,bmse000686,1
27,covalent,SING,C13,H56,,,,,14389,bmse000686,1
28,covalent,SING,C16,C5,,,,,14389,bmse000686,1
29,covalent,SING,C16,C14,,,,,14389,bmse000686,1
30,covalent,SING,C16,H60,,,,,14389,bmse000686,1
31,covalent,SING,C11,H51,,,,,14389,bmse000686,1
32,covalent,SING,C11,H52,,,,,14389,bmse000686,1
33,covalent,SING,C8,C7,,,,,14389,bmse000686,1
34,covalent,SING,C8,H45,,,,,14389,bmse000686,1
35,covalent,SING,C8,H46,,,,,14389,bmse000686,1
36,covalent,SING,C6,C5,,,,,14389,bmse000686,1
37,covalent,SING,C6,H41,,,,,14389,bmse000686,1
38,covalent,SING,C6,H42,,,,,14389,bmse000686,1
39,covalent,SING,C7,H43,,,,,14389,bmse000686,1
40,covalent,SING,C7,H44,,,,,14389,bmse000686,1
41,covalent,SING,C5,H39,,,,,14389,bmse000686,1
42,covalent,SING,C5,H40,,,,,14389,bmse000686,1
43,covalent,SING,C12,C10,,,,,14389,bmse000686,1
44,covalent,SING,C12,H53,,,,,14389,bmse000686,1
45,covalent,SING,C12,H54,,,,,14389,bmse000686,1
46,covalent,SING,C3,H34,,,,,14389,bmse000686,1
47,covalent,SING,C3,H36,,,,,14389,bmse000686,1
48,covalent,SING,C3,H35,,,,,14389,bmse000686,1
49,covalent,SING,C15,C4,,,,,14389,bmse000686,1
50,covalent,SING,C15,C1,,,,,14389,bmse000686,1
51,covalent,SING,C15,H59,,,,,14389,bmse000686,1
52,covalent,SING,C14,C17,,,,,14389,bmse000686,1
53,covalent,SING,C14,H57,,,,,14389,bmse000686,1
54,covalent,SING,C14,H58,,,,,14389,bmse000686,1
55,covalent,SING,C2,H31,,,,,14389,bmse000686,1
56,covalent,SING,C2,H33,,,,,14389,bmse000686,1
57,covalent,SING,C2,H32,,,,,14389,bmse000686,1
58,covalent,SING,C10,C17,,,,,14389,bmse000686,1
59,covalent,SING,C10,H49,,,,,14389,bmse000686,1
60,covalent,SING,C10,H50,,,,,14389,bmse000686,1
61,covalent,SING,C17,H61,,,,,14389,bmse000686,1
62,covalent,SING,C4,C9,,,,,14389,bmse000686,1
63,covalent,SING,C4,H37,,,,,14389,bmse000686,1
64,covalent,SING,C4,H38,,,,,14389,bmse000686,1
65,covalent,SING,C1,H30,,,,,14389,bmse000686,1
66,covalent,SING,C1,H29,,,,,14389,bmse000686,1
67,covalent,SING,C1,H28,,,,,14389,bmse000686,1
68,covalent,SING,C9,C22,,,,,14389,bmse000686,1
69,covalent,SING,C9,H47,,,,,14389,bmse000686,1
70,covalent,SING,C9,H48,,,,,14389,bmse000686,1
1,covalent,DOUB,O16,C12,,,,,14410,bmse000687,1
2,covalent,SING,O17,C13,,,,,14410,bmse000687,1
3,covalent,SING,O17,H32,,,,,14410,bmse000687,1
4,covalent,DOUB,O18,C13,,,,,14410,bmse000687,1
5,covalent,SING,N14,C11,,,,,14410,bmse000687,1
6,covalent,SING,N14,C7,,,,,14410,bmse000687,1
7,covalent,SING,N14,H30,,,,,14410,bmse000687,1
8,covalent,SING,N15,C12,,,,,14410,bmse000687,1
9,covalent,SING,C8,N15,,,,,14410,bmse000687,1
10,covalent,SING,N15,H31,,,,,14410,bmse000687,1
11,covalent,SING,C9,C10,,,,,14410,bmse000687,1
12,covalent,SING,C9,C6,,,,,14410,bmse000687,1
13,covalent,DOUB,C9,C7,,,,,14410,bmse000687,1
14,covalent,SING,C10,C11,,,,,14410,bmse000687,1
15,covalent,DOUB,C10,C4,,,,,14410,bmse000687,1
16,covalent,SING,C6,C12,,,,,14410,bmse000687,1
17,covalent,SING,C6,H26,,,,,14410,bmse000687,1
18,covalent,SING,C6,H27,,,,,14410,bmse000687,1
19,covalent,DOUB,C11,C5,,,,,14410,bmse000687,1
20,covalent,SING,C7,H28,,,,,14410,bmse000687,1
21,covalent,SING,C8,C1,,,,,14410,bmse000687,1
22,covalent,SING,C8,C13,,,,,14410,bmse000687,1
23,covalent,SING,C8,H29,,,,,14410,bmse000687,1
24,covalent,SING,C4,C2,,,,,14410,bmse000687,1
25,covalent,SING,C4,H24,,,,,14410,bmse000687,1
26,covalent,SING,C5,C3,,,,,14410,bmse000687,1
27,covalent,SING,C5,H25,,,,,14410,bmse000687,1
28,covalent,DOUB,C2,C3,,,,,14410,bmse000687,1
29,covalent,SING,C2,H22,,,,,14410,bmse000687,1
30,covalent,SING,C3,H23,,,,,14410,bmse000687,1
31,covalent,SING,C1,H19,,,,,14410,bmse000687,1
32,covalent,SING,C1,H20,,,,,14410,bmse000687,1
33,covalent,SING,C1,H21,,,,,14410,bmse000687,1
1,covalent,SING,O13,C10,,,,,14431,bmse000688,1
2,covalent,SING,O13,H22,,,,,14431,bmse000688,1
3,covalent,SING,O12,C9,,,,,14431,bmse000688,1
4,covalent,SING,O12,H21,,,,,14431,bmse000688,1
5,covalent,SING,O14,C11,,,,,14431,bmse000688,1
6,covalent,SING,O14,H23,,,,,14431,bmse000688,1
7,covalent,DOUB,O15,C11,,,,,14431,bmse000688,1
8,covalent,SING,C7,C6,,,,,14431,bmse000688,1
9,covalent,SING,C7,C10,,,,,14431,bmse000688,1
10,covalent,DOUB,C7,C4,,,,,14431,bmse000688,1
11,covalent,SING,C6,C9,,,,,14431,bmse000688,1
12,covalent,DOUB,C6,C3,,,,,14431,bmse000688,1
13,covalent,DOUB,C10,C8,,,,,14431,bmse000688,1
14,covalent,DOUB,C9,C5,,,,,14431,bmse000688,1
15,covalent,SING,C8,C5,,,,,14431,bmse000688,1
16,covalent,SING,C8,C11,,,,,14431,bmse000688,1
17,covalent,SING,C5,H20,,,,,14431,bmse000688,1
18,covalent,SING,C4,C2,,,,,14431,bmse000688,1
19,covalent,SING,C4,H19,,,,,14431,bmse000688,1
20,covalent,SING,C3,C1,,,,,14431,bmse000688,1
21,covalent,SING,C3,H18,,,,,14431,bmse000688,1
22,covalent,DOUB,C2,C1,,,,,14431,bmse000688,1
23,covalent,SING,C2,H17,,,,,14431,bmse000688,1
24,covalent,SING,C1,H16,,,,,14431,bmse000688,1
1,covalent,SING,O12,C10,,,,,14451,bmse000689,1
2,covalent,SING,O12,H21,,,,,14451,bmse000689,1
3,covalent,SING,O13,C11,,,,,14451,bmse000689,1
4,covalent,SING,O13,H22,,,,,14451,bmse000689,1
5,covalent,DOUB,O14,C11,,,,,14451,bmse000689,1
6,covalent,SING,C8,C7,,,,,14451,bmse000689,1
7,covalent,SING,C8,C10,,,,,14451,bmse000689,1
8,covalent,DOUB,C8,C4,,,,,14451,bmse000689,1
9,covalent,SING,C7,C5,,,,,14451,bmse000689,1
10,covalent,DOUB,C7,C3,,,,,14451,bmse000689,1
11,covalent,DOUB,C10,C9,,,,,14451,bmse000689,1
12,covalent,SING,C9,C6,,,,,14451,bmse000689,1
13,covalent,SING,C9,C11,,,,,14451,bmse000689,1
14,covalent,DOUB,C5,C6,,,,,14451,bmse000689,1
15,covalent,SING,C5,H19,,,,,14451,bmse000689,1
16,covalent,SING,C4,C2,,,,,14451,bmse000689,1
17,covalent,SING,C4,H18,,,,,14451,bmse000689,1
18,covalent,SING,C6,H20,,,,,14451,bmse000689,1
19,covalent,SING,C3,C1,,,,,14451,bmse000689,1
20,covalent,SING,C3,H17,,,,,14451,bmse000689,1
21,covalent,DOUB,C2,C1,,,,,14451,bmse000689,1
22,covalent,SING,C2,H16,,,,,14451,bmse000689,1
23,covalent,SING,C1,H15,,,,,14451,bmse000689,1
1,covalent,SING,O12,C8,,,,,14472,bmse000690,1
2,covalent,SING,O12,H22,,,,,14472,bmse000690,1
3,covalent,SING,C11,C10,,,,,14472,bmse000690,1
4,covalent,SING,C11,C9,,,,,14472,bmse000690,1
5,covalent,DOUB,C11,C7,,,,,14472,bmse000690,1
6,covalent,DOUB,C10,C6,,,,,14472,bmse000690,1
7,covalent,SING,C10,C8,,,,,14472,bmse000690,1
8,covalent,SING,C9,C5,,,,,14472,bmse000690,1
9,covalent,DOUB,C9,C4,,,,,14472,bmse000690,1
10,covalent,SING,C6,C3,,,,,14472,bmse000690,1
11,covalent,SING,C6,H18,,,,,14472,bmse000690,1
12,covalent,SING,C7,C2,,,,,14472,bmse000690,1
13,covalent,SING,C7,H19,,,,,14472,bmse000690,1
14,covalent,DOUB,C5,C3,,,,,14472,bmse000690,1
15,covalent,SING,C5,H17,,,,,14472,bmse000690,1
16,covalent,SING,C8,H20,,,,,14472,bmse000690,1
17,covalent,SING,C8,H21,,,,,14472,bmse000690,1
18,covalent,SING,C4,C1,,,,,14472,bmse000690,1
19,covalent,SING,C4,H16,,,,,14472,bmse000690,1
20,covalent,SING,C3,H15,,,,,14472,bmse000690,1
21,covalent,DOUB,C2,C1,,,,,14472,bmse000690,1
22,covalent,SING,C2,H14,,,,,14472,bmse000690,1
23,covalent,SING,C1,H13,,,,,14472,bmse000690,1
1,covalent,SING,Cl8,C5,,,,,14492,bmse000691,1
2,covalent,SING,Cl7,C4,,,,,14492,bmse000691,1
3,covalent,SING,O9,C6,,,,,14492,bmse000691,1
4,covalent,SING,O9,H13,,,,,14492,bmse000691,1
5,covalent,DOUB,C6,C5,,,,,14492,bmse000691,1
6,covalent,SING,C6,C2,,,,,14492,bmse000691,1
7,covalent,SING,C5,C3,,,,,14492,bmse000691,1
8,covalent,DOUB,C2,C1,,,,,14492,bmse000691,1
9,covalent,SING,C2,H11,,,,,14492,bmse000691,1
10,covalent,DOUB,C3,C4,,,,,14492,bmse000691,1
11,covalent,SING,C3,H12,,,,,14492,bmse000691,1
12,covalent,SING,C1,C4,,,,,14492,bmse000691,1
13,covalent,SING,C1,H10,,,,,14492,bmse000691,1
1,covalent,SING,O12,C6,,,,,14512,bmse000692,1
2,covalent,SING,O12,C1,,,,,14512,bmse000692,1
3,covalent,SING,O10,C8,,,,,14512,bmse000692,1
4,covalent,SING,O10,H21,,,,,14512,bmse000692,1
5,covalent,DOUB,O11,C8,,,,,14512,bmse000692,1
6,covalent,SING,N9,C7,,,,,14512,bmse000692,1
7,covalent,SING,N9,H19,,,,,14512,bmse000692,1
8,covalent,SING,N9,H20,,,,,14512,bmse000692,1
9,covalent,DOUB,C7,C5,,,,,14512,bmse000692,1
10,covalent,SING,C7,C6,,,,,14512,bmse000692,1
11,covalent,SING,C5,C3,,,,,14512,bmse000692,1
12,covalent,SING,C5,C8,,,,,14512,bmse000692,1
13,covalent,DOUB,C6,C4,,,,,14512,bmse000692,1
14,covalent,DOUB,C3,C2,,,,,14512,bmse000692,1
15,covalent,SING,C3,H17,,,,,14512,bmse000692,1
16,covalent,SING,C4,C2,,,,,14512,bmse000692,1
17,covalent,SING,C4,H18,,,,,14512,bmse000692,1
18,covalent,SING,C2,H16,,,,,14512,bmse000692,1
19,covalent,SING,C1,H15,,,,,14512,bmse000692,1
20,covalent,SING,C1,H13,,,,,14512,bmse000692,1
21,covalent,SING,C1,H14,,,,,14512,bmse000692,1
1,covalent,SING,O12,C11,,,,,14532,bmse000693,1
2,covalent,SING,O12,H21,,,,,14532,bmse000693,1
3,covalent,DOUB,O13,C11,,,,,14532,bmse000693,1
4,covalent,SING,C9,C8,,,,,14532,bmse000693,1
5,covalent,SING,C9,C7,,,,,14532,bmse000693,1
6,covalent,DOUB,C9,C4,,,,,14532,bmse000693,1
7,covalent,SING,C8,C5,,,,,14532,bmse000693,1
8,covalent,DOUB,C8,C3,,,,,14532,bmse000693,1
9,covalent,DOUB,C7,C10,,,,,14532,bmse000693,1
10,covalent,SING,C7,H20,,,,,14532,bmse000693,1
11,covalent,SING,C10,C6,,,,,14532,bmse000693,1
12,covalent,SING,C10,C11,,,,,14532,bmse000693,1
13,covalent,DOUB,C5,C6,,,,,14532,bmse000693,1
14,covalent,SING,C5,H18,,,,,14532,bmse000693,1
15,covalent,SING,C4,C2,,,,,14532,bmse000693,1
16,covalent,SING,C4,H17,,,,,14532,bmse000693,1
17,covalent,SING,C3,C1,,,,,14532,bmse000693,1
18,covalent,SING,C3,H16,,,,,14532,bmse000693,1
19,covalent,SING,C6,H19,,,,,14532,bmse000693,1
20,covalent,DOUB,C2,C1,,,,,14532,bmse000693,1
21,covalent,SING,C2,H15,,,,,14532,bmse000693,1
22,covalent,SING,C1,H14,,,,,14532,bmse000693,1
1,covalent,SING,O15,C8,,,,,14552,bmse000694,1
2,covalent,SING,O15,C1,,,,,14552,bmse000694,1
3,covalent,SING,O13,C11,,,,,14552,bmse000694,1
4,covalent,SING,O13,H26,,,,,14552,bmse000694,1
5,covalent,DOUB,O14,C11,,,,,14552,bmse000694,1
6,covalent,SING,N12,C10,,,,,14552,bmse000694,1
7,covalent,SING,N12,C6,,,,,14552,bmse000694,1
8,covalent,SING,N12,H25,,,,,14552,bmse000694,1
9,covalent,SING,C9,C7,,,,,14552,bmse000694,1
10,covalent,DOUB,C9,C10,,,,,14552,bmse000694,1
11,covalent,SING,C9,C5,,,,,14552,bmse000694,1
12,covalent,DOUB,C7,C6,,,,,14552,bmse000694,1
13,covalent,SING,C7,C4,,,,,14552,bmse000694,1
14,covalent,SING,C10,C3,,,,,14552,bmse000694,1
15,covalent,SING,C6,H24,,,,,14552,bmse000694,1
16,covalent,SING,C4,C11,,,,,14552,bmse000694,1
17,covalent,SING,C4,H21,,,,,14552,bmse000694,1
18,covalent,SING,C4,H22,,,,,14552,bmse000694,1
19,covalent,DOUB,C5,C8,,,,,14552,bmse000694,1
20,covalent,SING,C5,H23,,,,,14552,bmse000694,1
21,covalent,DOUB,C3,C2,,,,,14552,bmse000694,1
22,covalent,SING,C3,H20,,,,,14552,bmse000694,1
23,covalent,SING,C8,C2,,,,,14552,bmse000694,1
24,covalent,SING,C2,H19,,,,,14552,bmse000694,1
25,covalent,SING,C1,H18,,,,,14552,bmse000694,1
26,covalent,SING,C1,H17,,,,,14552,bmse000694,1
27,covalent,SING,C1,H16,,,,,14552,bmse000694,1
1,covalent,SING,O14,C11,,,,,14573,bmse000695,1
2,covalent,SING,O14,H27,,,,,14573,bmse000695,1
3,covalent,DOUB,O15,C11,,,,,14573,bmse000695,1
4,covalent,SING,O12,C10,,,,,14573,bmse000695,1
5,covalent,SING,O12,H26,,,,,14573,bmse000695,1
6,covalent,DOUB,O13,C10,,,,,14573,bmse000695,1
7,covalent,SING,C9,C6,,,,,14573,bmse000695,1
8,covalent,SING,C9,C7,,,,,14573,bmse000695,1
9,covalent,SING,C9,C11,,,,,14573,bmse000695,1
10,covalent,SING,C9,H25,,,,,14573,bmse000695,1
11,covalent,SING,C6,C8,,,,,14573,bmse000695,1
12,covalent,SING,C6,H21,,,,,14573,bmse000695,1
13,covalent,SING,C6,H22,,,,,14573,bmse000695,1
14,covalent,SING,C7,C10,,,,,14573,bmse000695,1
15,covalent,SING,C7,H23,,,,,14573,bmse000695,1
16,covalent,SING,C7,H24,,,,,14573,bmse000695,1
17,covalent,DOUB,C8,C4,,,,,14573,bmse000695,1
18,covalent,SING,C8,C5,,,,,14573,bmse000695,1
19,covalent,SING,C4,C2,,,,,14573,bmse000695,1
20,covalent,SING,C4,H19,,,,,14573,bmse000695,1
21,covalent,DOUB,C5,C3,,,,,14573,bmse000695,1
22,covalent,SING,C5,H20,,,,,14573,bmse000695,1
23,covalent,DOUB,C2,C1,,,,,14573,bmse000695,1
24,covalent,SING,C2,H17,,,,,14573,bmse000695,1
25,covalent,SING,C3,C1,,,,,14573,bmse000695,1
26,covalent,SING,C3,H18,,,,,14573,bmse000695,1
27,covalent,SING,C1,H16,,,,,14573,bmse000695,1
1,covalent,DOUB,O13,C10,,,,,14595,bmse000696,1
2,covalent,SING,N12,C9,,,,,14595,bmse000696,1
3,covalent,SING,N12,C6,,,,,14595,bmse000696,1
4,covalent,SING,N12,H23,,,,,14595,bmse000696,1
5,covalent,SING,N11,C10,,,,,14595,bmse000696,1
6,covalent,SING,N11,H21,,,,,14595,bmse000696,1
7,covalent,SING,N11,H22,,,,,14595,bmse000696,1
8,covalent,SING,C8,C7,,,,,14595,bmse000696,1
9,covalent,SING,C8,C9,,,,,14595,bmse000696,1
10,covalent,DOUB,C8,C3,,,,,14595,bmse000696,1
11,covalent,SING,C7,C5,,,,,14595,bmse000696,1
12,covalent,DOUB,C7,C6,,,,,14595,bmse000696,1
13,covalent,DOUB,C9,C4,,,,,14595,bmse000696,1
14,covalent,SING,C5,C10,,,,,14595,bmse000696,1
15,covalent,SING,C5,H18,,,,,14595,bmse000696,1
16,covalent,SING,C5,H19,,,,,14595,bmse000696,1
17,covalent,SING,C6,H20,,,,,14595,bmse000696,1
18,covalent,SING,C3,C1,,,,,14595,bmse000696,1
19,covalent,SING,C3,H16,,,,,14595,bmse000696,1
20,covalent,SING,C4,C2,,,,,14595,bmse000696,1
21,covalent,SING,C4,H17,,,,,14595,bmse000696,1
22,covalent,DOUB,C1,C2,,,,,14595,bmse000696,1
23,covalent,SING,C1,H14,,,,,14595,bmse000696,1
24,covalent,SING,C2,H15,,,,,14595,bmse000696,1
1,covalent,SING,Cl11,C5,,,,,14616,bmse000697,1
2,covalent,SING,Cl10,C4,,,,,14616,bmse000697,1
3,covalent,SING,Cl7,C1,,,,,14616,bmse000697,1
4,covalent,SING,Cl8,C2,,,,,14616,bmse000697,1
5,covalent,SING,Cl9,C3,,,,,14616,bmse000697,1
6,covalent,SING,O12,C6,,,,,14616,bmse000697,1
7,covalent,SING,O12,H13,,,,,14616,bmse000697,1
8,covalent,DOUB,C6,C5,,,,,14616,bmse000697,1
9,covalent,SING,C6,C4,,,,,14616,bmse000697,1
10,covalent,SING,C5,C3,,,,,14616,bmse000697,1
11,covalent,DOUB,C4,C2,,,,,14616,bmse000697,1
12,covalent,SING,C2,C1,,,,,14616,bmse000697,1
13,covalent,DOUB,C3,C1,,,,,14616,bmse000697,1
1,covalent,SING,O11,C10,,,,,14633,bmse000698,1
2,covalent,SING,O11,H26,,,,,14633,bmse000698,1
3,covalent,DOUB,O12,C10,,,,,14633,bmse000698,1
4,covalent,SING,C8,C4,,,,,14633,bmse000698,1
5,covalent,SING,C8,C3,,,,,14633,bmse000698,1
6,covalent,SING,C8,C7,,,,,14633,bmse000698,1
7,covalent,SING,C8,H25,,,,,14633,bmse000698,1
8,covalent,SING,C4,C6,,,,,14633,bmse000698,1
9,covalent,SING,C4,H20,,,,,14633,bmse000698,1
10,covalent,SING,C4,H21,,,,,14633,bmse000698,1
11,covalent,SING,C3,C5,,,,,14633,bmse000698,1
12,covalent,SING,C3,H18,,,,,14633,bmse000698,1
13,covalent,SING,C3,H19,,,,,14633,bmse000698,1
14,covalent,SING,C6,C9,,,,,14633,bmse000698,1
15,covalent,SING,C6,H23,,,,,14633,bmse000698,1
16,covalent,SING,C6,H24,,,,,14633,bmse000698,1
17,covalent,DOUB,C9,C5,,,,,14633,bmse000698,1
18,covalent,SING,C9,C10,,,,,14633,bmse000698,1
19,covalent,SING,C7,C2,,,,,14633,bmse000698,1
20,covalent,DOUB,C7,C1,,,,,14633,bmse000698,1
21,covalent,SING,C5,H22,,,,,14633,bmse000698,1
22,covalent,SING,C2,H15,,,,,14633,bmse000698,1
23,covalent,SING,C2,H17,,,,,14633,bmse000698,1
24,covalent,SING,C2,H16,,,,,14633,bmse000698,1
25,covalent,SING,C1,H13,,,,,14633,bmse000698,1
26,covalent,SING,C1,H14,,,,,14633,bmse000698,1
1,covalent,SING,S22,C11,,,,,14655,bmse000699,1
2,covalent,SING,S22,C7,,,,,14655,bmse000699,1
3,covalent,SING,P21,O20,,,,,14655,bmse000699,1
4,covalent,SING,P21,O17,,,,,14655,bmse000699,1
5,covalent,SING,P21,O18,,,,,14655,bmse000699,1
6,covalent,DOUB,P21,O19,,,,,14655,bmse000699,1
7,covalent,SING,O20,C4,,,,,14655,bmse000699,1
8,covalent,SING,O17,H39,,,,,14655,bmse000699,1
9,covalent,SING,O18,H40,,,,,14655,bmse000699,1
10,covalent,SING,N16,C8,,,,,14655,bmse000699,1
11,covalent,SING,N16,C6,,,,,14655,bmse000699,1
12,covalent,DOUB,N16,C7,,,,,14655,bmse000699,1
13,covalent,DOUB,N15,C12,,,,,14655,bmse000699,1
14,covalent,SING,N15,C9,,,,,14655,bmse000699,1
15,covalent,SING,N14,C5,,,,,14655,bmse000699,1
16,covalent,DOUB,N14,C9,,,,,14655,bmse000699,1
17,covalent,SING,N13,C12,,,,,14655,bmse000699,1
18,covalent,SING,N13,H37,,,,,14655,bmse000699,1
19,covalent,SING,N13,H38,,,,,14655,bmse000699,1
20,covalent,DOUB,C8,C11,,,,,14655,bmse000699,1
21,covalent,SING,C8,C1,,,,,14655,bmse000699,1
22,covalent,SING,C11,C3,,,,,14655,bmse000699,1
23,covalent,SING,C6,C10,,,,,14655,bmse000699,1
24,covalent,SING,C6,H34,,,,,14655,bmse000699,1
25,covalent,SING,C6,H35,,,,,14655,bmse000699,1
26,covalent,SING,C3,C4,,,,,14655,bmse000699,1
27,covalent,SING,C3,H29,,,,,14655,bmse000699,1
28,covalent,SING,C3,H30,,,,,14655,bmse000699,1
29,covalent,SING,C7,H36,,,,,14655,bmse000699,1
30,covalent,SING,C10,C12,,,,,14655,bmse000699,1
31,covalent,DOUB,C10,C5,,,,,14655,bmse000699,1
32,covalent,SING,C1,H25,,,,,14655,bmse000699,1
33,covalent,SING,C1,H24,,,,,14655,bmse000699,1
34,covalent,SING,C1,H23,,,,,14655,bmse000699,1
35,covalent,SING,C4,H31,,,,,14655,bmse000699,1
36,covalent,SING,C4,H32,,,,,14655,bmse000699,1
37,covalent,SING,C5,H33,,,,,14655,bmse000699,1
38,covalent,SING,C9,C2,,,,,14655,bmse000699,1
39,covalent,SING,C2,H28,,,,,14655,bmse000699,1
40,covalent,SING,C2,H26,,,,,14655,bmse000699,1
41,covalent,SING,C2,H27,,,,,14655,bmse000699,1
1,covalent,SING,O17,C15,,,,,14677,bmse000700,1
2,covalent,SING,O17,H50,,,,,14677,bmse000700,1
3,covalent,SING,O18,C16,,,,,14677,bmse000700,1
4,covalent,SING,O18,H51,,,,,14677,bmse000700,1
5,covalent,DOUB,O19,C16,,,,,14677,bmse000700,1
6,covalent,SING,C1,C2,,,,,14677,bmse000700,1
7,covalent,SING,C1,C3,,,,,14677,bmse000700,1
8,covalent,SING,C1,H20,,,,,14677,bmse000700,1
9,covalent,SING,C1,H21,,,,,14677,bmse000700,1
10,covalent,SING,C2,C4,,,,,14677,bmse000700,1
11,covalent,SING,C2,H22,,,,,14677,bmse000700,1
12,covalent,SING,C2,H23,,,,,14677,bmse000700,1
13,covalent,SING,C3,C5,,,,,14677,bmse000700,1
14,covalent,SING,C3,H24,,,,,14677,bmse000700,1
15,covalent,SING,C3,H25,,,,,14677,bmse000700,1
16,covalent,SING,C4,C6,,,,,14677,bmse000700,1
17,covalent,SING,C4,H26,,,,,14677,bmse000700,1
18,covalent,SING,C4,H27,,,,,14677,bmse000700,1
19,covalent,SING,C5,C7,,,,,14677,bmse000700,1
20,covalent,SING,C5,H28,,,,,14677,bmse000700,1
21,covalent,SING,C5,H29,,,,,14677,bmse000700,1
22,covalent,SING,C6,C8,,,,,14677,bmse000700,1
23,covalent,SING,C6,H30,,,,,14677,bmse000700,1
24,covalent,SING,C6,H31,,,,,14677,bmse000700,1
25,covalent,SING,C7,C9,,,,,14677,bmse000700,1
26,covalent,SING,C7,H32,,,,,14677,bmse000700,1
27,covalent,SING,C7,H33,,,,,14677,bmse000700,1
28,covalent,SING,C8,C10,,,,,14677,bmse000700,1
29,covalent,SING,C8,H34,,,,,14677,bmse000700,1
30,covalent,SING,C8,H35,,,,,14677,bmse000700,1
31,covalent,SING,C9,C11,,,,,14677,bmse000700,1
32,covalent,SING,C9,H36,,,,,14677,bmse000700,1
33,covalent,SING,C9,H37,,,,,14677,bmse000700,1
34,covalent,SING,C10,C12,,,,,14677,bmse000700,1
35,covalent,SING,C10,H38,,,,,14677,bmse000700,1
36,covalent,SING,C10,H39,,,,,14677,bmse000700,1
37,covalent,SING,C11,C13,,,,,14677,bmse000700,1
38,covalent,SING,C11,H40,,,,,14677,bmse000700,1
39,covalent,SING,C11,H41,,,,,14677,bmse000700,1
40,covalent,SING,C12,C14,,,,,14677,bmse000700,1
41,covalent,SING,C12,H42,,,,,14677,bmse000700,1
42,covalent,SING,C12,H43,,,,,14677,bmse000700,1
43,covalent,SING,C13,C15,,,,,14677,bmse000700,1
44,covalent,SING,C13,H44,,,,,14677,bmse000700,1
45,covalent,SING,C13,H45,,,,,14677,bmse000700,1
46,covalent,SING,C14,C16,,,,,14677,bmse000700,1
47,covalent,SING,C14,H46,,,,,14677,bmse000700,1
48,covalent,SING,C14,H47,,,,,14677,bmse000700,1
49,covalent,SING,C15,H48,,,,,14677,bmse000700,1
50,covalent,SING,C15,H49,,,,,14677,bmse000700,1
1,covalent,SING,O11,C10,,,,,14697,bmse000701,1
2,covalent,SING,O11,H24,,,,,14697,bmse000701,1
3,covalent,DOUB,O12,C10,,,,,14697,bmse000701,1
4,covalent,SING,C7,C4,,,,,14697,bmse000701,1
5,covalent,SING,C7,C9,,,,,14697,bmse000701,1
6,covalent,SING,C7,H20,,,,,14697,bmse000701,1
7,covalent,SING,C7,H21,,,,,14697,bmse000701,1
8,covalent,SING,C4,C8,,,,,14697,bmse000701,1
9,covalent,SING,C4,H16,,,,,14697,bmse000701,1
10,covalent,SING,C4,H17,,,,,14697,bmse000701,1
11,covalent,DOUB,C9,C5,,,,,14697,bmse000701,1
12,covalent,SING,C9,C6,,,,,14697,bmse000701,1
13,covalent,SING,C8,C10,,,,,14697,bmse000701,1
14,covalent,SING,C8,H22,,,,,14697,bmse000701,1
15,covalent,SING,C8,H23,,,,,14697,bmse000701,1
16,covalent,SING,C5,C2,,,,,14697,bmse000701,1
17,covalent,SING,C5,H18,,,,,14697,bmse000701,1
18,covalent,DOUB,C6,C3,,,,,14697,bmse000701,1
19,covalent,SING,C6,H19,,,,,14697,bmse000701,1
20,covalent,DOUB,C2,C1,,,,,14697,bmse000701,1
21,covalent,SING,C2,H14,,,,,14697,bmse000701,1
22,covalent,SING,C3,C1,,,,,14697,bmse000701,1
23,covalent,SING,C3,H15,,,,,14697,bmse000701,1
24,covalent,SING,C1,H13,,,,,14697,bmse000701,1
1,covalent,SING,O26,C21,,,,,14719,bmse000702,1
2,covalent,SING,O26,H67,,,,,14719,bmse000702,1
3,covalent,SING,O25,C15,,,,,14719,bmse000702,1
4,covalent,SING,O25,H66,,,,,14719,bmse000702,1
5,covalent,SING,O27,C22,,,,,14719,bmse000702,1
6,covalent,SING,O27,H68,,,,,14719,bmse000702,1
7,covalent,DOUB,O28,C22,,,,,14719,bmse000702,1
8,covalent,SING,C18,C23,,,,,14719,bmse000702,1
9,covalent,SING,C18,C16,,,,,14719,bmse000702,1
10,covalent,SING,C18,C6,,,,,14719,bmse000702,1
11,covalent,SING,C18,H62,,,,,14719,bmse000702,1
12,covalent,SING,C23,C17,,,,,14719,bmse000702,1
13,covalent,SING,C23,C11,,,,,14719,bmse000702,1
14,covalent,SING,C23,C2,,,,,14719,bmse000702,1
15,covalent,SING,C16,C19,,,,,14719,bmse000702,1
16,covalent,SING,C16,C13,,,,,14719,bmse000702,1
17,covalent,SING,C16,H60,,,,,14719,bmse000702,1
18,covalent,SING,C19,C24,,,,,14719,bmse000702,1
19,covalent,SING,C19,C9,,,,,14719,bmse000702,1
20,covalent,SING,C19,H63,,,,,14719,bmse000702,1
21,covalent,SING,C24,C20,,,,,14719,bmse000702,1
22,covalent,SING,C24,C10,,,,,14719,bmse000702,1
23,covalent,SING,C24,C3,,,,,14719,bmse000702,1
24,covalent,SING,C17,C5,,,,,14719,bmse000702,1
25,covalent,SING,C17,C14,,,,,14719,bmse000702,1
26,covalent,SING,C17,H61,,,,,14719,bmse000702,1
27,covalent,SING,C20,C21,,,,,14719,bmse000702,1
28,covalent,SING,C20,C12,,,,,14719,bmse000702,1
29,covalent,SING,C20,H64,,,,,14719,bmse000702,1
30,covalent,SING,C11,C9,,,,,14719,bmse000702,1
31,covalent,SING,C11,H52,,,,,14719,bmse000702,1
32,covalent,SING,C11,H53,,,,,14719,bmse000702,1
33,covalent,SING,C9,H48,,,,,14719,bmse000702,1
34,covalent,SING,C9,H49,,,,,14719,bmse000702,1
35,covalent,SING,C6,C5,,,,,14719,bmse000702,1
36,covalent,SING,C6,H42,,,,,14719,bmse000702,1
37,covalent,SING,C6,H43,,,,,14719,bmse000702,1
38,covalent,SING,C13,C21,,,,,14719,bmse000702,1
39,covalent,SING,C13,H56,,,,,14719,bmse000702,1
40,covalent,SING,C13,H57,,,,,14719,bmse000702,1
41,covalent,SING,C5,H40,,,,,14719,bmse000702,1
42,covalent,SING,C5,H41,,,,,14719,bmse000702,1
43,covalent,SING,C21,H65,,,,,14719,bmse000702,1
44,covalent,SING,C10,C8,,,,,14719,bmse000702,1
45,covalent,SING,C10,H50,,,,,14719,bmse000702,1
46,covalent,SING,C10,H51,,,,,14719,bmse000702,1
47,covalent,SING,C2,H32,,,,,14719,bmse000702,1
48,covalent,SING,C2,H34,,,,,14719,bmse000702,1
49,covalent,SING,C2,H33,,,,,14719,bmse000702,1
50,covalent,SING,C12,C15,,,,,14719,bmse000702,1
51,covalent,SING,C12,H54,,,,,14719,bmse000702,1
52,covalent,SING,C12,H55,,,,,14719,bmse000702,1
53,covalent,SING,C14,C4,,,,,14719,bmse000702,1
54,covalent,SING,C14,C1,,,,,14719,bmse000702,1
55,covalent,SING,C14,H58,,,,,14719,bmse000702,1
56,covalent,SING,C3,H36,,,,,14719,bmse000702,1
57,covalent,SING,C3,H37,,,,,14719,bmse000702,1
58,covalent,SING,C3,H35,,,,,14719,bmse000702,1
59,covalent,SING,C8,C15,,,,,14719,bmse000702,1
60,covalent,SING,C8,H46,,,,,14719,bmse000702,1
61,covalent,SING,C8,H47,,,,,14719,bmse000702,1
62,covalent,SING,C15,H59,,,,,14719,bmse000702,1
63,covalent,SING,C4,C7,,,,,14719,bmse000702,1
64,covalent,SING,C4,H38,,,,,14719,bmse000702,1
65,covalent,SING,C4,H39,,,,,14719,bmse000702,1
66,covalent,SING,C1,H29,,,,,14719,bmse000702,1
67,covalent,SING,C1,H31,,,,,14719,bmse000702,1
68,covalent,SING,C1,H30,,,,,14719,bmse000702,1
69,covalent,SING,C7,C22,,,,,14719,bmse000702,1
70,covalent,SING,C7,H44,,,,,14719,bmse000702,1
71,covalent,SING,C7,H45,,,,,14719,bmse000702,1
1,covalent,SING,O14,C7,,,,,14740,bmse000703,1
2,covalent,SING,O14,C1,,,,,14740,bmse000703,1
3,covalent,SING,O11,C8,,,,,14740,bmse000703,1
4,covalent,SING,O11,H23,,,,,14740,bmse000703,1
5,covalent,SING,O10,C6,,,,,14740,bmse000703,1
6,covalent,SING,O10,H22,,,,,14740,bmse000703,1
7,covalent,SING,O12,C9,,,,,14740,bmse000703,1
8,covalent,SING,O12,H24,,,,,14740,bmse000703,1
9,covalent,DOUB,O13,C9,,,,,14740,bmse000703,1
10,covalent,SING,C5,C8,,,,,14740,bmse000703,1
11,covalent,DOUB,C5,C4,,,,,14740,bmse000703,1
12,covalent,SING,C5,C2,,,,,14740,bmse000703,1
13,covalent,SING,C8,C9,,,,,14740,bmse000703,1
14,covalent,SING,C8,H21,,,,,14740,bmse000703,1
15,covalent,SING,C4,C7,,,,,14740,bmse000703,1
16,covalent,SING,C4,H20,,,,,14740,bmse000703,1
17,covalent,DOUB,C2,C3,,,,,14740,bmse000703,1
18,covalent,SING,C2,H18,,,,,14740,bmse000703,1
19,covalent,DOUB,C7,C6,,,,,14740,bmse000703,1
20,covalent,SING,C6,C3,,,,,14740,bmse000703,1
21,covalent,SING,C3,H19,,,,,14740,bmse000703,1
22,covalent,SING,C1,H17,,,,,14740,bmse000703,1
23,covalent,SING,C1,H16,,,,,14740,bmse000703,1
24,covalent,SING,C1,H15,,,,,14740,bmse000703,1
1,covalent,DOUB,O16,C15,,,,,14761,bmse000704,1
2,covalent,SING,C14,C15,,,,,14761,bmse000704,1
3,covalent,DOUB,C14,C9,,,,,14761,bmse000704,1
4,covalent,SING,C14,C10,,,,,14761,bmse000704,1
5,covalent,SING,C13,C11,,,,,14761,bmse000704,1
6,covalent,DOUB,C13,C7,,,,,14761,bmse000704,1
7,covalent,SING,C13,C8,,,,,14761,bmse000704,1
8,covalent,SING,C15,C12,,,,,14761,bmse000704,1
9,covalent,DOUB,C11,C12,,,,,14761,bmse000704,1
10,covalent,SING,C11,H27,,,,,14761,bmse000704,1
11,covalent,SING,C12,H28,,,,,14761,bmse000704,1
12,covalent,SING,C9,C5,,,,,14761,bmse000704,1
13,covalent,SING,C9,H25,,,,,14761,bmse000704,1
14,covalent,DOUB,C10,C6,,,,,14761,bmse000704,1
15,covalent,SING,C10,H26,,,,,14761,bmse000704,1
16,covalent,SING,C7,C3,,,,,14761,bmse000704,1
17,covalent,SING,C7,H23,,,,,14761,bmse000704,1
18,covalent,DOUB,C8,C4,,,,,14761,bmse000704,1
19,covalent,SING,C8,H24,,,,,14761,bmse000704,1
20,covalent,DOUB,C5,C2,,,,,14761,bmse000704,1
21,covalent,SING,C5,H21,,,,,14761,bmse000704,1
22,covalent,SING,C6,C2,,,,,14761,bmse000704,1
23,covalent,SING,C6,H22,,,,,14761,bmse000704,1
24,covalent,DOUB,C3,C1,,,,,14761,bmse000704,1
25,covalent,SING,C3,H19,,,,,14761,bmse000704,1
26,covalent,SING,C4,C1,,,,,14761,bmse000704,1
27,covalent,SING,C4,H20,,,,,14761,bmse000704,1
28,covalent,SING,C2,H18,,,,,14761,bmse000704,1
29,covalent,SING,C1,H17,,,,,14761,bmse000704,1
1,covalent,SING,O9,C5,,,,,14782,bmse000705,1
2,covalent,SING,O9,H17,,,,,14782,bmse000705,1
3,covalent,SING,O11,C6,,,,,14782,bmse000705,1
4,covalent,SING,O11,H18,,,,,14782,bmse000705,1
5,covalent,DOUB,O10,C5,,,,,14782,bmse000705,1
6,covalent,DOUB,O12,C6,,,,,14782,bmse000705,1
7,covalent,SING,O7,C4,,,,,14782,bmse000705,1
8,covalent,SING,O7,H16,,,,,14782,bmse000705,1
9,covalent,DOUB,O8,C4,,,,,14782,bmse000705,1
10,covalent,SING,C2,C3,,,,,14782,bmse000705,1
11,covalent,SING,C2,C5,,,,,14782,bmse000705,1
12,covalent,SING,C2,H14,,,,,14782,bmse000705,1
13,covalent,SING,C2,H15,,,,,14782,bmse000705,1
14,covalent,DOUB,C3,C1,,,,,14782,bmse000705,1
15,covalent,SING,C3,C6,,,,,14782,bmse000705,1
16,covalent,SING,C1,C4,,,,,14782,bmse000705,1
17,covalent,SING,C1,H13,,,,,14782,bmse000705,1
1,covalent,SING,S9,O7,,,,,14803,bmse000706,1
2,covalent,DOUB,S9,O8,,,,,14803,bmse000706,1
3,covalent,SING,S9,C1,,,,,14803,bmse000706,1
4,covalent,SING,O5,C3,,,,,14803,bmse000706,1
5,covalent,SING,O5,H15,,,,,14803,bmse000706,1
6,covalent,SING,O7,H16,,,,,14803,bmse000706,1
7,covalent,DOUB,O6,C3,,,,,14803,bmse000706,1
8,covalent,SING,C2,N4,,,,,14803,bmse000706,1
9,covalent,SING,N4,H13,,,,,14803,bmse000706,1
10,covalent,SING,N4,H14,,,,,14803,bmse000706,1
11,covalent,SING,C2,C1,,,,,14803,bmse000706,1
12,covalent,SING,C2,C3,,,,,14803,bmse000706,1
13,covalent,SING,C2,H12,,,,,14803,bmse000706,1
14,covalent,SING,C1,H10,,,,,14803,bmse000706,1
15,covalent,SING,C1,H11,,,,,14803,bmse000706,1
1,covalent,SING,O13,C8,,,,,14824,bmse000707,1
2,covalent,SING,O13,H25,,,,,14824,bmse000707,1
3,covalent,DOUB,O14,C8,,,,,14824,bmse000707,1
4,covalent,DOUB,O12,C5,,,,,14824,bmse000707,1
5,covalent,SING,N11,C7,,,,,14824,bmse000707,1
6,covalent,SING,N11,C5,,,,,14824,bmse000707,1
7,covalent,SING,N11,H24,,,,,14824,bmse000707,1
8,covalent,SING,N10,C6,,,,,14824,bmse000707,1
9,covalent,SING,N10,C4,,,,,14824,bmse000707,1
10,covalent,SING,N10,H23,,,,,14824,bmse000707,1
11,covalent,SING,N9,C3,,,,,14824,bmse000707,1
12,covalent,DOUB,N9,C4,,,,,14824,bmse000707,1
13,covalent,SING,C7,C2,,,,,14824,bmse000707,1
14,covalent,SING,C7,C8,,,,,14824,bmse000707,1
15,covalent,SING,C7,H22,,,,,14824,bmse000707,1
16,covalent,SING,C2,C6,,,,,14824,bmse000707,1
17,covalent,SING,C2,H18,,,,,14824,bmse000707,1
18,covalent,SING,C2,H19,,,,,14824,bmse000707,1
19,covalent,DOUB,C6,C3,,,,,14824,bmse000707,1
20,covalent,SING,C3,H20,,,,,14824,bmse000707,1
21,covalent,SING,C5,C1,,,,,14824,bmse000707,1
22,covalent,SING,C4,H21,,,,,14824,bmse000707,1
23,covalent,SING,C1,H16,,,,,14824,bmse000707,1
24,covalent,SING,C1,H17,,,,,14824,bmse000707,1
25,covalent,SING,C1,H15,,,,,14824,bmse000707,1
1,covalent,DOUB,O13,C8,,,,,14845,bmse000708,1
2,covalent,SING,O11,C7,,,,,14845,bmse000708,1
3,covalent,SING,O11,H21,,,,,14845,bmse000708,1
4,covalent,DOUB,O12,C7,,,,,14845,bmse000708,1
5,covalent,SING,N10,C5,,,,,14845,bmse000708,1
6,covalent,SING,N10,C8,,,,,14845,bmse000708,1
7,covalent,SING,N10,H20,,,,,14845,bmse000708,1
8,covalent,SING,N9,C4,,,,,14845,bmse000708,1
9,covalent,DOUB,N9,C3,,,,,14845,bmse000708,1
10,covalent,SING,C6,C8,,,,,14845,bmse000708,1
11,covalent,SING,C6,C2,,,,,14845,bmse000708,1
12,covalent,DOUB,C6,C4,,,,,14845,bmse000708,1
13,covalent,SING,C5,C7,,,,,14845,bmse000708,1
14,covalent,SING,C5,H18,,,,,14845,bmse000708,1
15,covalent,SING,C5,H19,,,,,14845,bmse000708,1
16,covalent,DOUB,C2,C1,,,,,14845,bmse000708,1
17,covalent,SING,C2,H15,,,,,14845,bmse000708,1
18,covalent,SING,C4,H17,,,,,14845,bmse000708,1
19,covalent,SING,C1,C3,,,,,14845,bmse000708,1
20,covalent,SING,C1,H14,,,,,14845,bmse000708,1
21,covalent,SING,C3,H16,,,,,14845,bmse000708,1
1,covalent,DOUB,O5,C3,,,,,14866,bmse000709,1
2,covalent,SING,N4,C1,,,,,14866,bmse000709,1
3,covalent,SING,N4,C2,,,,,14866,bmse000709,1
4,covalent,SING,N4,C3,,,,,14866,bmse000709,1
5,covalent,SING,C1,H7,,,,,14866,bmse000709,1
6,covalent,SING,C1,H8,,,,,14866,bmse000709,1
7,covalent,SING,C1,H6,,,,,14866,bmse000709,1
8,covalent,SING,C2,H11,,,,,14866,bmse000709,1
9,covalent,SING,C2,H10,,,,,14866,bmse000709,1
10,covalent,SING,C2,H9,,,,,14866,bmse000709,1
11,covalent,SING,C3,H12,,,,,14866,bmse000709,1
1,covalent,SING,Cl20,H21,,,,,14884,bmse000710,1
2,covalent,SING,O10,C2,,,,,14884,bmse000710,1
3,covalent,SING,O10,C3,,,,,14884,bmse000710,1
4,covalent,SING,O8,C5,,,,,14884,bmse000710,1
5,covalent,SING,O8,H19,,,,,14884,bmse000710,1
6,covalent,DOUB,O9,C5,,,,,14884,bmse000710,1
7,covalent,DOUB,O7,C3,,,,,14884,bmse000710,1
8,covalent,SING,N6,C4,,,,,14884,bmse000710,1
9,covalent,SING,N6,H17,,,,,14884,bmse000710,1
10,covalent,SING,N6,H18,,,,,14884,bmse000710,1
11,covalent,SING,C4,C2,,,,,14884,bmse000710,1
12,covalent,SING,C4,C5,,,,,14884,bmse000710,1
13,covalent,SING,C4,H16,,,,,14884,bmse000710,1
14,covalent,SING,C2,H14,,,,,14884,bmse000710,1
15,covalent,SING,C2,H15,,,,,14884,bmse000710,1
16,covalent,SING,C3,C1,,,,,14884,bmse000710,1
17,covalent,SING,C1,H12,,,,,14884,bmse000710,1
18,covalent,SING,C1,H13,,,,,14884,bmse000710,1
19,covalent,SING,C1,H11,,,,,14884,bmse000710,1
1,covalent,SING,C4,N7,,,,,14898,bmse000711,1
2,covalent,SING,N7,H20,,,,,14898,bmse000711,1
3,covalent,SING,N7,H21,,,,,14898,bmse000711,1
4,covalent,SING,C4,C5,,,,,14898,bmse000711,1
5,covalent,SING,C4,C2,,,,,14898,bmse000711,1
6,covalent,SING,C4,H19,,,,,14898,bmse000711,1
7,covalent,DOUB,C5,O11,,,,,14898,bmse000711,1
8,covalent,SING,C5,O12,,,,,14898,bmse000711,1
9,covalent,SING,C2,C1,,,,,14898,bmse000711,1
10,covalent,SING,C2,H15,,,,,14898,bmse000711,1
11,covalent,SING,C2,H16,,,,,14898,bmse000711,1
12,covalent,SING,C1,C3,,,,,14898,bmse000711,1
13,covalent,SING,C1,H13,,,,,14898,bmse000711,1
14,covalent,SING,C1,H14,,,,,14898,bmse000711,1
15,covalent,SING,C3,N10,,,,,14898,bmse000711,1
16,covalent,SING,C3,H17,,,,,14898,bmse000711,1
17,covalent,SING,C3,H18,,,,,14898,bmse000711,1
18,covalent,DOUB,N10,C6,,,,,14898,bmse000711,1
19,covalent,SING,C6,N8,,,,,14898,bmse000711,1
20,covalent,SING,C6,N9,,,,,14898,bmse000711,1
21,covalent,SING,N8,H22,,,,,14898,bmse000711,1
22,covalent,SING,N8,H23,,,,,14898,bmse000711,1
23,covalent,SING,N9,H24,,,,,14898,bmse000711,1
24,covalent,SING,N9,H25,,,,,14898,bmse000711,1
25,covalent,SING,O12,H26,,,,,14898,bmse000711,1
1,covalent,SING,O15,C8,,,,,14918,bmse000712,1
2,covalent,SING,O15,C6,,,,,14918,bmse000712,1
3,covalent,SING,O13,C5,,,,,14918,bmse000712,1
4,covalent,SING,O13,H28,,,,,14918,bmse000712,1
5,covalent,DOUB,O14,C9,,,,,14918,bmse000712,1
6,covalent,SING,C8,N12,,,,,14918,bmse000712,1
7,covalent,SING,N12,C4,,,,,14918,bmse000712,1
8,covalent,SING,N12,C9,,,,,14918,bmse000712,1
9,covalent,SING,N11,C9,,,,,14918,bmse000712,1
10,covalent,DOUB,N11,C7,,,,,14918,bmse000712,1
11,covalent,SING,N10,C7,,,,,14918,bmse000712,1
12,covalent,SING,N10,H26,,,,,14918,bmse000712,1
13,covalent,SING,N10,H27,,,,,14918,bmse000712,1
14,covalent,SING,C8,C2,,,,,14918,bmse000712,1
15,covalent,SING,C8,H25,,,,,14918,bmse000712,1
16,covalent,SING,C2,C1,,,,,14918,bmse000712,1
17,covalent,SING,C2,H18,,,,,14918,bmse000712,1
18,covalent,SING,C2,H19,,,,,14918,bmse000712,1
19,covalent,SING,C1,C6,,,,,14918,bmse000712,1
20,covalent,SING,C1,H16,,,,,14918,bmse000712,1
21,covalent,SING,C1,H17,,,,,14918,bmse000712,1
22,covalent,SING,C6,C5,,,,,14918,bmse000712,1
23,covalent,SING,C6,H24,,,,,14918,bmse000712,1
24,covalent,SING,C5,H22,,,,,14918,bmse000712,1
25,covalent,SING,C5,H23,,,,,14918,bmse000712,1
26,covalent,DOUB,C4,C3,,,,,14918,bmse000712,1
27,covalent,SING,C4,H21,,,,,14918,bmse000712,1
28,covalent,SING,C3,C7,,,,,14918,bmse000712,1
29,covalent,SING,C3,H20,,,,,14918,bmse000712,1
1,covalent,SING,P10,O7,,,,,14938,bmse000713,1
2,covalent,SING,P10,O8,,,,,14938,bmse000713,1
3,covalent,DOUB,P10,O9,,,,,14938,bmse000713,1
4,covalent,SING,P10,C1,,,,,14938,bmse000713,1
5,covalent,SING,O7,H17,,,,,14938,bmse000713,1
6,covalent,SING,O8,H18,,,,,14938,bmse000713,1
7,covalent,SING,O5,C3,,,,,14938,bmse000713,1
8,covalent,SING,O5,H16,,,,,14938,bmse000713,1
9,covalent,DOUB,O6,C3,,,,,14938,bmse000713,1
10,covalent,SING,N4,C2,,,,,14938,bmse000713,1
11,covalent,SING,N4,H14,,,,,14938,bmse000713,1
12,covalent,SING,N4,H15,,,,,14938,bmse000713,1
13,covalent,SING,C1,C2,,,,,14938,bmse000713,1
14,covalent,SING,C1,H11,,,,,14938,bmse000713,1
15,covalent,SING,C1,H12,,,,,14938,bmse000713,1
16,covalent,SING,C2,C3,,,,,14938,bmse000713,1
17,covalent,SING,C2,H13,,,,,14938,bmse000713,1
1,covalent,SING,N8,C7,,,,,14958,bmse000714,1
2,covalent,SING,N8,C6,,,,,14958,bmse000714,1
3,covalent,SING,N8,H23,,,,,14958,bmse000714,1
4,covalent,SING,C7,C5,,,,,14958,bmse000714,1
5,covalent,SING,C7,C2,,,,,14958,bmse000714,1
6,covalent,SING,C7,H22,,,,,14958,bmse000714,1
7,covalent,SING,C5,C3,,,,,14958,bmse000714,1
8,covalent,SING,C5,H18,,,,,14958,bmse000714,1
9,covalent,SING,C5,H19,,,,,14958,bmse000714,1
10,covalent,SING,C3,C4,,,,,14958,bmse000714,1
11,covalent,SING,C3,H14,,,,,14958,bmse000714,1
12,covalent,SING,C3,H15,,,,,14958,bmse000714,1
13,covalent,SING,C4,C6,,,,,14958,bmse000714,1
14,covalent,SING,C4,H16,,,,,14958,bmse000714,1
15,covalent,SING,C4,H17,,,,,14958,bmse000714,1
16,covalent,SING,C6,H20,,,,,14958,bmse000714,1
17,covalent,SING,C6,H21,,,,,14958,bmse000714,1
18,covalent,SING,C2,C1,,,,,14958,bmse000714,1
19,covalent,SING,C2,H12,,,,,14958,bmse000714,1
20,covalent,SING,C2,H13,,,,,14958,bmse000714,1
21,covalent,SING,C1,H9,,,,,14958,bmse000714,1
22,covalent,SING,C1,H10,,,,,14958,bmse000714,1
23,covalent,SING,C1,H11,,,,,14958,bmse000714,1
1,covalent,SING,O9,C7,,,,,14978,bmse000715,1
2,covalent,SING,O9,H18,,,,,14978,bmse000715,1
3,covalent,SING,O10,C8,,,,,14978,bmse000715,1
4,covalent,SING,O10,H19,,,,,14978,bmse000715,1
5,covalent,DOUB,O11,C8,,,,,14978,bmse000715,1
6,covalent,SING,C6,C5,,,,,14978,bmse000715,1
7,covalent,SING,C6,C7,,,,,14978,bmse000715,1
8,covalent,DOUB,C6,C3,,,,,14978,bmse000715,1
9,covalent,SING,C5,C8,,,,,14978,bmse000715,1
10,covalent,SING,C5,H16,,,,,14978,bmse000715,1
11,covalent,SING,C5,H17,,,,,14978,bmse000715,1
12,covalent,DOUB,C7,C4,,,,,14978,bmse000715,1
13,covalent,SING,C3,C1,,,,,14978,bmse000715,1
14,covalent,SING,C3,H14,,,,,14978,bmse000715,1
15,covalent,SING,C4,C2,,,,,14978,bmse000715,1
16,covalent,SING,C4,H15,,,,,14978,bmse000715,1
17,covalent,DOUB,C1,C2,,,,,14978,bmse000715,1
18,covalent,SING,C1,H12,,,,,14978,bmse000715,1
19,covalent,SING,C2,H13,,,,,14978,bmse000715,1
1,covalent,SING,S21,O18,,,,,14998,bmse000716,1
2,covalent,DOUB,S21,O19,,,,,14998,bmse000716,1
3,covalent,DOUB,S21,O20,,,,,14998,bmse000716,1
4,covalent,SING,S21,C15,,,,,14998,bmse000716,1
5,covalent,SING,O18,H34,,,,,14998,bmse000716,1
6,covalent,SING,N17,C14,,,,,14998,bmse000716,1
7,covalent,SING,N17,C13,,,,,14998,bmse000716,1
8,covalent,SING,N17,H33,,,,,14998,bmse000716,1
9,covalent,DOUB,C16,C12,,,,,14998,bmse000716,1
10,covalent,SING,C16,C14,,,,,14998,bmse000716,1
11,covalent,SING,C16,C15,,,,,14998,bmse000716,1
12,covalent,SING,C12,C6,,,,,14998,bmse000716,1
13,covalent,SING,C12,C7,,,,,14998,bmse000716,1
14,covalent,DOUB,C14,C10,,,,,14998,bmse000716,1
15,covalent,DOUB,C15,C11,,,,,14998,bmse000716,1
16,covalent,DOUB,C6,C4,,,,,14998,bmse000716,1
17,covalent,SING,C6,H27,,,,,14998,bmse000716,1
18,covalent,DOUB,C7,C5,,,,,14998,bmse000716,1
19,covalent,SING,C7,H28,,,,,14998,bmse000716,1
20,covalent,SING,C10,C4,,,,,14998,bmse000716,1
21,covalent,SING,C10,H31,,,,,14998,bmse000716,1
22,covalent,SING,C11,C5,,,,,14998,bmse000716,1
23,covalent,SING,C11,H32,,,,,14998,bmse000716,1
24,covalent,SING,C4,H25,,,,,14998,bmse000716,1
25,covalent,SING,C5,H26,,,,,14998,bmse000716,1
26,covalent,DOUB,C13,C8,,,,,14998,bmse000716,1
27,covalent,SING,C13,C9,,,,,14998,bmse000716,1
28,covalent,SING,C8,C2,,,,,14998,bmse000716,1
29,covalent,SING,C8,H29,,,,,14998,bmse000716,1
30,covalent,DOUB,C9,C3,,,,,14998,bmse000716,1
31,covalent,SING,C9,H30,,,,,14998,bmse000716,1
32,covalent,DOUB,C2,C1,,,,,14998,bmse000716,1
33,covalent,SING,C2,H23,,,,,14998,bmse000716,1
34,covalent,SING,C3,C1,,,,,14998,bmse000716,1
35,covalent,SING,C3,H24,,,,,14998,bmse000716,1
36,covalent,SING,C1,H22,,,,,14998,bmse000716,1
1,covalent,SING,N1,C2,,,,,15017,bmse000717,1
2,covalent,SING,N1,C10,,,,,15017,bmse000717,1
3,covalent,SING,N1,C11,,,,,15017,bmse000717,1
4,covalent,SING,N1,C12,,,,,15017,bmse000717,1
5,covalent,SING,C2,C3,,,,,15017,bmse000717,1
6,covalent,SING,C2,H21,,,,,15017,bmse000717,1
7,covalent,SING,C2,H22,,,,,15017,bmse000717,1
8,covalent,SING,C3,C4,,,,,15017,bmse000717,1
9,covalent,SING,C3,H23,,,,,15017,bmse000717,1
10,covalent,SING,C3,H24,,,,,15017,bmse000717,1
11,covalent,SING,C4,C5,,,,,15017,bmse000717,1
12,covalent,SING,C4,H25,,,,,15017,bmse000717,1
13,covalent,SING,C4,H26,,,,,15017,bmse000717,1
14,covalent,SING,C5,C6,,,,,15017,bmse000717,1
15,covalent,SING,C5,H27,,,,,15017,bmse000717,1
16,covalent,SING,C5,H28,,,,,15017,bmse000717,1
17,covalent,SING,C6,C7,,,,,15017,bmse000717,1
18,covalent,SING,C6,H29,,,,,15017,bmse000717,1
19,covalent,SING,C6,H30,,,,,15017,bmse000717,1
20,covalent,SING,C7,C8,,,,,15017,bmse000717,1
21,covalent,SING,C7,H31,,,,,15017,bmse000717,1
22,covalent,SING,C7,H32,,,,,15017,bmse000717,1
23,covalent,SING,C8,C9,,,,,15017,bmse000717,1
24,covalent,SING,C8,H33,,,,,15017,bmse000717,1
25,covalent,SING,C8,H34,,,,,15017,bmse000717,1
26,covalent,SING,C9,C13,,,,,15017,bmse000717,1
27,covalent,SING,C9,H35,,,,,15017,bmse000717,1
28,covalent,SING,C9,H36,,,,,15017,bmse000717,1
29,covalent,SING,C10,H43,,,,,15017,bmse000717,1
30,covalent,SING,C10,H44,,,,,15017,bmse000717,1
31,covalent,SING,C10,H45,,,,,15017,bmse000717,1
32,covalent,SING,C11,H40,,,,,15017,bmse000717,1
33,covalent,SING,C11,H41,,,,,15017,bmse000717,1
34,covalent,SING,C11,H42,,,,,15017,bmse000717,1
35,covalent,SING,C12,H37,,,,,15017,bmse000717,1
36,covalent,SING,C12,H38,,,,,15017,bmse000717,1
37,covalent,SING,C12,H39,,,,,15017,bmse000717,1
38,covalent,SING,C13,C14,,,,,15017,bmse000717,1
39,covalent,SING,C13,H46,,,,,15017,bmse000717,1
40,covalent,SING,C13,H47,,,,,15017,bmse000717,1
41,covalent,SING,C14,C15,,,,,15017,bmse000717,1
42,covalent,SING,C14,H48,,,,,15017,bmse000717,1
43,covalent,SING,C14,H49,,,,,15017,bmse000717,1
44,covalent,SING,C15,C16,,,,,15017,bmse000717,1
45,covalent,SING,C15,H50,,,,,15017,bmse000717,1
46,covalent,SING,C15,H51,,,,,15017,bmse000717,1
47,covalent,SING,C16,C17,,,,,15017,bmse000717,1
48,covalent,SING,C16,H52,,,,,15017,bmse000717,1
49,covalent,SING,C16,H53,,,,,15017,bmse000717,1
50,covalent,SING,C17,C18,,,,,15017,bmse000717,1
51,covalent,SING,C17,H54,,,,,15017,bmse000717,1
52,covalent,SING,C17,H55,,,,,15017,bmse000717,1
53,covalent,SING,C18,C19,,,,,15017,bmse000717,1
54,covalent,SING,C18,H56,,,,,15017,bmse000717,1
55,covalent,SING,C18,H57,,,,,15017,bmse000717,1
56,covalent,SING,C19,C20,,,,,15017,bmse000717,1
57,covalent,SING,C19,H58,,,,,15017,bmse000717,1
58,covalent,SING,C19,H59,,,,,15017,bmse000717,1
59,covalent,SING,C20,H60,,,,,15017,bmse000717,1
60,covalent,SING,C20,H61,,,,,15017,bmse000717,1
61,covalent,SING,C20,H62,,,,,15017,bmse000717,1
1,covalent,SING,Cl5,C3,,,,,15035,bmse000718,1
2,covalent,SING,Cl4,C2,,,,,15035,bmse000718,1
3,covalent,SING,C3,C1,,,,,15035,bmse000718,1
4,covalent,SING,C3,H8,,,,,15035,bmse000718,1
5,covalent,SING,C3,H9,,,,,15035,bmse000718,1
6,covalent,DOUB,C1,C2,,,,,15035,bmse000718,1
7,covalent,SING,C1,H6,,,,,15035,bmse000718,1
8,covalent,SING,C2,H7,,,,,15035,bmse000718,1
1,covalent,SING,N17,C15,,,,,15055,bmse000719,1
2,covalent,SING,N17,C1,,,,,15055,bmse000719,1
3,covalent,SING,N17,C2,,,,,15055,bmse000719,1
4,covalent,SING,N17,C3,,,,,15055,bmse000719,1
5,covalent,SING,N18,C16,,,,,15055,bmse000719,1
6,covalent,SING,N18,C4,,,,,15055,bmse000719,1
7,covalent,SING,N18,C5,,,,,15055,bmse000719,1
8,covalent,SING,N18,C6,,,,,15055,bmse000719,1
9,covalent,SING,C15,C13,,,,,15055,bmse000719,1
10,covalent,SING,C15,H53,,,,,15055,bmse000719,1
11,covalent,SING,C15,H54,,,,,15055,bmse000719,1
12,covalent,SING,C16,C14,,,,,15055,bmse000719,1
13,covalent,SING,C16,H55,,,,,15055,bmse000719,1
14,covalent,SING,C16,H56,,,,,15055,bmse000719,1
15,covalent,SING,C13,C11,,,,,15055,bmse000719,1
16,covalent,SING,C13,H49,,,,,15055,bmse000719,1
17,covalent,SING,C13,H50,,,,,15055,bmse000719,1
18,covalent,SING,C14,C12,,,,,15055,bmse000719,1
19,covalent,SING,C14,H51,,,,,15055,bmse000719,1
20,covalent,SING,C14,H52,,,,,15055,bmse000719,1
21,covalent,SING,C11,C9,,,,,15055,bmse000719,1
22,covalent,SING,C11,H45,,,,,15055,bmse000719,1
23,covalent,SING,C11,H46,,,,,15055,bmse000719,1
24,covalent,SING,C12,C10,,,,,15055,bmse000719,1
25,covalent,SING,C12,H47,,,,,15055,bmse000719,1
26,covalent,SING,C12,H48,,,,,15055,bmse000719,1
27,covalent,SING,C9,C7,,,,,15055,bmse000719,1
28,covalent,SING,C9,H41,,,,,15055,bmse000719,1
29,covalent,SING,C9,H42,,,,,15055,bmse000719,1
30,covalent,SING,C10,C8,,,,,15055,bmse000719,1
31,covalent,SING,C10,H43,,,,,15055,bmse000719,1
32,covalent,SING,C10,H44,,,,,15055,bmse000719,1
33,covalent,SING,C7,C8,,,,,15055,bmse000719,1
34,covalent,SING,C7,H37,,,,,15055,bmse000719,1
35,covalent,SING,C7,H38,,,,,15055,bmse000719,1
36,covalent,SING,C8,H39,,,,,15055,bmse000719,1
37,covalent,SING,C8,H40,,,,,15055,bmse000719,1
38,covalent,SING,C1,H20,,,,,15055,bmse000719,1
39,covalent,SING,C1,H21,,,,,15055,bmse000719,1
40,covalent,SING,C1,H19,,,,,15055,bmse000719,1
41,covalent,SING,C2,H23,,,,,15055,bmse000719,1
42,covalent,SING,C2,H24,,,,,15055,bmse000719,1
43,covalent,SING,C2,H22,,,,,15055,bmse000719,1
44,covalent,SING,C3,H27,,,,,15055,bmse000719,1
45,covalent,SING,C3,H26,,,,,15055,bmse000719,1
46,covalent,SING,C3,H25,,,,,15055,bmse000719,1
47,covalent,SING,C4,H28,,,,,15055,bmse000719,1
48,covalent,SING,C4,H29,,,,,15055,bmse000719,1
49,covalent,SING,C4,H30,,,,,15055,bmse000719,1
50,covalent,SING,C5,H32,,,,,15055,bmse000719,1
51,covalent,SING,C5,H31,,,,,15055,bmse000719,1
52,covalent,SING,C5,H33,,,,,15055,bmse000719,1
53,covalent,SING,C6,H34,,,,,15055,bmse000719,1
54,covalent,SING,C6,H35,,,,,15055,bmse000719,1
55,covalent,SING,C6,H36,,,,,15055,bmse000719,1
1,covalent,SING,S1,O5,,,,,15074,bmse000720,1
2,covalent,DOUB,S1,O7,,,,,15074,bmse000720,1
3,covalent,DOUB,S1,O8,,,,,15074,bmse000720,1
4,covalent,SING,S1,C21,,,,,15074,bmse000720,1
5,covalent,SING,O2,C15,,,,,15074,bmse000720,1
6,covalent,SING,O2,C25,,,,,15074,bmse000720,1
7,covalent,SING,O3,C18,,,,,15074,bmse000720,1
8,covalent,SING,O3,C26,,,,,15074,bmse000720,1
9,covalent,DOUB,O4,C25,,,,,15074,bmse000720,1
10,covalent,SING,O5,H66,,,,,15074,bmse000720,1
11,covalent,DOUB,O6,C26,,,,,15074,bmse000720,1
12,covalent,SING,C9,C11,,,,,15074,bmse000720,1
13,covalent,SING,C9,C13,,,,,15074,bmse000720,1
14,covalent,SING,C9,C15,,,,,15074,bmse000720,1
15,covalent,SING,C9,H29,,,,,15074,bmse000720,1
16,covalent,SING,C10,C12,,,,,15074,bmse000720,1
17,covalent,SING,C10,C14,,,,,15074,bmse000720,1
18,covalent,SING,C10,C18,,,,,15074,bmse000720,1
19,covalent,SING,C10,H30,,,,,15074,bmse000720,1
20,covalent,SING,C11,C16,,,,,15074,bmse000720,1
21,covalent,SING,C11,H31,,,,,15074,bmse000720,1
22,covalent,SING,C11,H32,,,,,15074,bmse000720,1
23,covalent,SING,C12,C17,,,,,15074,bmse000720,1
24,covalent,SING,C12,H33,,,,,15074,bmse000720,1
25,covalent,SING,C12,H34,,,,,15074,bmse000720,1
26,covalent,SING,C13,C22,,,,,15074,bmse000720,1
27,covalent,SING,C13,H35,,,,,15074,bmse000720,1
28,covalent,SING,C13,H36,,,,,15074,bmse000720,1
29,covalent,SING,C14,C23,,,,,15074,bmse000720,1
30,covalent,SING,C14,H37,,,,,15074,bmse000720,1
31,covalent,SING,C14,H38,,,,,15074,bmse000720,1
32,covalent,SING,C15,H39,,,,,15074,bmse000720,1
33,covalent,SING,C15,H40,,,,,15074,bmse000720,1
34,covalent,SING,C16,C19,,,,,15074,bmse000720,1
35,covalent,SING,C16,H41,,,,,15074,bmse000720,1
36,covalent,SING,C16,H42,,,,,15074,bmse000720,1
37,covalent,SING,C17,C20,,,,,15074,bmse000720,1
38,covalent,SING,C17,H43,,,,,15074,bmse000720,1
39,covalent,SING,C17,H44,,,,,15074,bmse000720,1
40,covalent,SING,C18,H45,,,,,15074,bmse000720,1
41,covalent,SING,C18,H46,,,,,15074,bmse000720,1
42,covalent,SING,C19,C27,,,,,15074,bmse000720,1
43,covalent,SING,C19,H47,,,,,15074,bmse000720,1
44,covalent,SING,C19,H48,,,,,15074,bmse000720,1
45,covalent,SING,C20,C28,,,,,15074,bmse000720,1
46,covalent,SING,C20,H49,,,,,15074,bmse000720,1
47,covalent,SING,C20,H50,,,,,15074,bmse000720,1
48,covalent,SING,C21,C24,,,,,15074,bmse000720,1
49,covalent,SING,C21,C25,,,,,15074,bmse000720,1
50,covalent,SING,C21,H51,,,,,15074,bmse000720,1
51,covalent,SING,C22,H52,,,,,15074,bmse000720,1
52,covalent,SING,C22,H53,,,,,15074,bmse000720,1
53,covalent,SING,C22,H54,,,,,15074,bmse000720,1
54,covalent,SING,C23,H55,,,,,15074,bmse000720,1
55,covalent,SING,C23,H56,,,,,15074,bmse000720,1
56,covalent,SING,C23,H57,,,,,15074,bmse000720,1
57,covalent,SING,C24,C26,,,,,15074,bmse000720,1
58,covalent,SING,C24,H58,,,,,15074,bmse000720,1
59,covalent,SING,C24,H59,,,,,15074,bmse000720,1
60,covalent,SING,C27,H60,,,,,15074,bmse000720,1
61,covalent,SING,C27,H61,,,,,15074,bmse000720,1
62,covalent,SING,C27,H62,,,,,15074,bmse000720,1
63,covalent,SING,C28,H63,,,,,15074,bmse000720,1
64,covalent,SING,C28,H64,,,,,15074,bmse000720,1
65,covalent,SING,C28,H65,,,,,15074,bmse000720,1
1,covalent,SING,O15,C14,,,,,15095,bmse000721,1
2,covalent,SING,O15,H28,,,,,15095,bmse000721,1
3,covalent,DOUB,O16,C14,,,,,15095,bmse000721,1
4,covalent,SING,C13,C11,,,,,15095,bmse000721,1
5,covalent,SING,C13,C12,,,,,15095,bmse000721,1
6,covalent,SING,C13,C14,,,,,15095,bmse000721,1
7,covalent,SING,C13,H27,,,,,15095,bmse000721,1
8,covalent,DOUB,C11,C7,,,,,15095,bmse000721,1
9,covalent,SING,C11,C8,,,,,15095,bmse000721,1
10,covalent,DOUB,C12,C9,,,,,15095,bmse000721,1
11,covalent,SING,C12,C10,,,,,15095,bmse000721,1
12,covalent,SING,C7,C3,,,,,15095,bmse000721,1
13,covalent,SING,C7,H23,,,,,15095,bmse000721,1
14,covalent,SING,C9,C5,,,,,15095,bmse000721,1
15,covalent,SING,C9,H25,,,,,15095,bmse000721,1
16,covalent,DOUB,C8,C4,,,,,15095,bmse000721,1
17,covalent,SING,C8,H24,,,,,15095,bmse000721,1
18,covalent,DOUB,C10,C6,,,,,15095,bmse000721,1
19,covalent,SING,C10,H26,,,,,15095,bmse000721,1
20,covalent,DOUB,C3,C1,,,,,15095,bmse000721,1
21,covalent,SING,C3,H19,,,,,15095,bmse000721,1
22,covalent,DOUB,C5,C2,,,,,15095,bmse000721,1
23,covalent,SING,C5,H21,,,,,15095,bmse000721,1
24,covalent,SING,C4,C1,,,,,15095,bmse000721,1
25,covalent,SING,C4,H20,,,,,15095,bmse000721,1
26,covalent,SING,C6,C2,,,,,15095,bmse000721,1
27,covalent,SING,C6,H22,,,,,15095,bmse000721,1
28,covalent,SING,C1,H17,,,,,15095,bmse000721,1
29,covalent,SING,C2,H18,,,,,15095,bmse000721,1
1,covalent,SING,Cl4,C1,,,,,15116,bmse000722,1
2,covalent,SING,O5,C3,,,,,15116,bmse000722,1
3,covalent,SING,O5,C2,,,,,15116,bmse000722,1
4,covalent,SING,C3,C2,,,,,15116,bmse000722,1
5,covalent,SING,C3,C1,,,,,15116,bmse000722,1
6,covalent,SING,C3,H10,,,,,15116,bmse000722,1
7,covalent,SING,C2,H8,,,,,15116,bmse000722,1
8,covalent,SING,C2,H9,,,,,15116,bmse000722,1
9,covalent,SING,C1,H6,,,,,15116,bmse000722,1
10,covalent,SING,C1,H7,,,,,15116,bmse000722,1
1,covalent,SING,O13,C6,,,,,15137,bmse000723,1
2,covalent,SING,O13,C4,,,,,15137,bmse000723,1
3,covalent,SING,O12,C7,,,,,15137,bmse000723,1
4,covalent,SING,O12,C1,,,,,15137,bmse000723,1
5,covalent,DOUB,O11,C8,,,,,15137,bmse000723,1
6,covalent,DOUB,O10,C7,,,,,15137,bmse000723,1
7,covalent,SING,N9,C5,,,,,15137,bmse000723,1
8,covalent,SING,N9,C8,,,,,15137,bmse000723,1
9,covalent,SING,N9,H22,,,,,15137,bmse000723,1
10,covalent,SING,C5,C7,,,,,15137,bmse000723,1
11,covalent,SING,C5,H20,,,,,15137,bmse000723,1
12,covalent,SING,C5,H21,,,,,15137,bmse000723,1
13,covalent,SING,C6,C8,,,,,15137,bmse000723,1
14,covalent,DOUB,C6,C3,,,,,15137,bmse000723,1
15,covalent,SING,C3,C2,,,,,15137,bmse000723,1
16,covalent,SING,C3,H18,,,,,15137,bmse000723,1
17,covalent,DOUB,C2,C4,,,,,15137,bmse000723,1
18,covalent,SING,C2,H17,,,,,15137,bmse000723,1
19,covalent,SING,C4,H19,,,,,15137,bmse000723,1
20,covalent,SING,C1,H16,,,,,15137,bmse000723,1
21,covalent,SING,C1,H14,,,,,15137,bmse000723,1
22,covalent,SING,C1,H15,,,,,15137,bmse000723,1
1,covalent,SING,F7,C5,,,,,15158,bmse000724,1
2,covalent,SING,N8,C6,,,,,15158,bmse000724,1
3,covalent,SING,N8,H13,,,,,15158,bmse000724,1
4,covalent,SING,N8,H14,,,,,15158,bmse000724,1
5,covalent,SING,C6,C5,,,,,15158,bmse000724,1
6,covalent,DOUB,C6,C4,,,,,15158,bmse000724,1
7,covalent,DOUB,C5,C3,,,,,15158,bmse000724,1
8,covalent,SING,C4,C2,,,,,15158,bmse000724,1
9,covalent,SING,C4,H12,,,,,15158,bmse000724,1
10,covalent,SING,C3,C1,,,,,15158,bmse000724,1
11,covalent,SING,C3,H11,,,,,15158,bmse000724,1
12,covalent,DOUB,C2,C1,,,,,15158,bmse000724,1
13,covalent,SING,C2,H10,,,,,15158,bmse000724,1
14,covalent,SING,C1,H9,,,,,15158,bmse000724,1
1,covalent,SING,C9,C3,,,,,15179,bmse000725,1
2,covalent,SING,C9,C10,,,,,15179,bmse000725,1
3,covalent,SING,C9,C2,,,,,15179,bmse000725,1
4,covalent,SING,C9,H24,,,,,15179,bmse000725,1
5,covalent,SING,C3,C1,,,,,15179,bmse000725,1
6,covalent,SING,C3,H17,,,,,15179,bmse000725,1
7,covalent,SING,C3,H18,,,,,15179,bmse000725,1
8,covalent,DOUB,C10,C7,,,,,15179,bmse000725,1
9,covalent,SING,C10,C8,,,,,15179,bmse000725,1
10,covalent,SING,C2,H16,,,,,15179,bmse000725,1
11,covalent,SING,C2,H15,,,,,15179,bmse000725,1
12,covalent,SING,C2,H14,,,,,15179,bmse000725,1
13,covalent,SING,C1,H11,,,,,15179,bmse000725,1
14,covalent,SING,C1,H12,,,,,15179,bmse000725,1
15,covalent,SING,C1,H13,,,,,15179,bmse000725,1
16,covalent,SING,C7,C5,,,,,15179,bmse000725,1
17,covalent,SING,C7,H22,,,,,15179,bmse000725,1
18,covalent,DOUB,C8,C6,,,,,15179,bmse000725,1
19,covalent,SING,C8,H23,,,,,15179,bmse000725,1
20,covalent,DOUB,C5,C4,,,,,15179,bmse000725,1
21,covalent,SING,C5,H20,,,,,15179,bmse000725,1
22,covalent,SING,C6,C4,,,,,15179,bmse000725,1
23,covalent,SING,C6,H21,,,,,15179,bmse000725,1
24,covalent,SING,C4,H19,,,,,15179,bmse000725,1
1,covalent,SING,S11,O8,,,,,15200,bmse000726,1
2,covalent,DOUB,S11,O9,,,,,15200,bmse000726,1
3,covalent,DOUB,S11,O10,,,,,15200,bmse000726,1
4,covalent,SING,S11,C6,,,,,15200,bmse000726,1
5,covalent,SING,O8,H18,,,,,15200,bmse000726,1
6,covalent,SING,N7,C5,,,,,15200,bmse000726,1
7,covalent,SING,N7,H16,,,,,15200,bmse000726,1
8,covalent,SING,N7,H17,,,,,15200,bmse000726,1
9,covalent,DOUB,C6,C3,,,,,15200,bmse000726,1
10,covalent,SING,C6,C4,,,,,15200,bmse000726,1
11,covalent,SING,C3,C1,,,,,15200,bmse000726,1
12,covalent,SING,C3,H14,,,,,15200,bmse000726,1
13,covalent,DOUB,C4,C2,,,,,15200,bmse000726,1
14,covalent,SING,C4,H15,,,,,15200,bmse000726,1
15,covalent,DOUB,C5,C1,,,,,15200,bmse000726,1
16,covalent,SING,C5,C2,,,,,15200,bmse000726,1
17,covalent,SING,C1,H12,,,,,15200,bmse000726,1
18,covalent,SING,C2,H13,,,,,15200,bmse000726,1
1,covalent,SING,O6,C5,,,,,15221,bmse000727,1
2,covalent,SING,O6,H15,,,,,15221,bmse000727,1
3,covalent,DOUB,O7,C5,,,,,15221,bmse000727,1
4,covalent,DOUB,C4,C3,,,,,15221,bmse000727,1
5,covalent,SING,C4,C2,,,,,15221,bmse000727,1
6,covalent,SING,C4,C5,,,,,15221,bmse000727,1
7,covalent,SING,C3,C1,,,,,15221,bmse000727,1
8,covalent,SING,C3,H14,,,,,15221,bmse000727,1
9,covalent,SING,C2,H11,,,,,15221,bmse000727,1
10,covalent,SING,C2,H12,,,,,15221,bmse000727,1
11,covalent,SING,C2,H13,,,,,15221,bmse000727,1
12,covalent,SING,C1,H8,,,,,15221,bmse000727,1
13,covalent,SING,C1,H9,,,,,15221,bmse000727,1
14,covalent,SING,C1,H10,,,,,15221,bmse000727,1
1,covalent,SING,O9,C6,,,,,15242,bmse000728,1
2,covalent,SING,O9,H23,,,,,15242,bmse000728,1
3,covalent,DOUB,O10,C6,,,,,15242,bmse000728,1
4,covalent,SING,N8,C7,,,,,15242,bmse000728,1
5,covalent,SING,N8,H21,,,,,15242,bmse000728,1
6,covalent,SING,N8,H22,,,,,15242,bmse000728,1
7,covalent,SING,C7,C4,,,,,15242,bmse000728,1
8,covalent,SING,C7,C5,,,,,15242,bmse000728,1
9,covalent,SING,C7,C6,,,,,15242,bmse000728,1
10,covalent,SING,C4,C2,,,,,15242,bmse000728,1
11,covalent,SING,C4,H17,,,,,15242,bmse000728,1
12,covalent,SING,C4,H18,,,,,15242,bmse000728,1
13,covalent,SING,C5,C3,,,,,15242,bmse000728,1
14,covalent,SING,C5,H19,,,,,15242,bmse000728,1
15,covalent,SING,C5,H20,,,,,15242,bmse000728,1
16,covalent,SING,C2,C1,,,,,15242,bmse000728,1
17,covalent,SING,C2,H13,,,,,15242,bmse000728,1
18,covalent,SING,C2,H14,,,,,15242,bmse000728,1
19,covalent,SING,C3,C1,,,,,15242,bmse000728,1
20,covalent,SING,C3,H15,,,,,15242,bmse000728,1
21,covalent,SING,C3,H16,,,,,15242,bmse000728,1
22,covalent,SING,C1,H11,,,,,15242,bmse000728,1
23,covalent,SING,C1,H12,,,,,15242,bmse000728,1
1,covalent,SING,F9,C7,,,,,15262,bmse000729,1
2,covalent,SING,F8,C6,,,,,15262,bmse000729,1
3,covalent,SING,O10,C4,,,,,15262,bmse000729,1
4,covalent,SING,O10,H16,,,,,15262,bmse000729,1
5,covalent,SING,C5,C4,,,,,15262,bmse000729,1
6,covalent,DOUB,C5,C7,,,,,15262,bmse000729,1
7,covalent,SING,C5,C2,,,,,15262,bmse000729,1
8,covalent,SING,C4,H14,,,,,15262,bmse000729,1
9,covalent,SING,C4,H15,,,,,15262,bmse000729,1
10,covalent,SING,C7,C6,,,,,15262,bmse000729,1
11,covalent,DOUB,C2,C1,,,,,15262,bmse000729,1
12,covalent,SING,C2,H12,,,,,15262,bmse000729,1
13,covalent,DOUB,C6,C3,,,,,15262,bmse000729,1
14,covalent,SING,C1,C3,,,,,15262,bmse000729,1
15,covalent,SING,C1,H11,,,,,15262,bmse000729,1
16,covalent,SING,C3,H13,,,,,15262,bmse000729,1
1,covalent,SING,O9,C5,,,,,15283,bmse000730,1
2,covalent,SING,O9,H20,,,,,15283,bmse000730,1
3,covalent,DOUB,O10,C5,,,,,15283,bmse000730,1
4,covalent,SING,O7,C4,,,,,15283,bmse000730,1
5,covalent,SING,O7,H19,,,,,15283,bmse000730,1
6,covalent,DOUB,O8,C4,,,,,15283,bmse000730,1
7,covalent,SING,C6,C3,,,,,15283,bmse000730,1
8,covalent,SING,C6,C1,,,,,15283,bmse000730,1
9,covalent,SING,C6,C2,,,,,15283,bmse000730,1
10,covalent,SING,C6,C5,,,,,15283,bmse000730,1
11,covalent,SING,C3,C4,,,,,15283,bmse000730,1
12,covalent,SING,C3,H17,,,,,15283,bmse000730,1
13,covalent,SING,C3,H18,,,,,15283,bmse000730,1
14,covalent,SING,C1,H12,,,,,15283,bmse000730,1
15,covalent,SING,C1,H11,,,,,15283,bmse000730,1
16,covalent,SING,C1,H13,,,,,15283,bmse000730,1
17,covalent,SING,C2,H15,,,,,15283,bmse000730,1
18,covalent,SING,C2,H14,,,,,15283,bmse000730,1
19,covalent,SING,C2,H16,,,,,15283,bmse000730,1
1,covalent,SING,O17,C10,,,,,15303,bmse000731,1
2,covalent,SING,O17,C6,,,,,15303,bmse000731,1
3,covalent,SING,O16,C9,,,,,15303,bmse000731,1
4,covalent,SING,O16,H30,,,,,15303,bmse000731,1
5,covalent,SING,O15,C8,,,,,15303,bmse000731,1
6,covalent,SING,O15,H29,,,,,15303,bmse000731,1
7,covalent,SING,O12,C4,,,,,15303,bmse000731,1
8,covalent,SING,O12,H28,,,,,15303,bmse000731,1
9,covalent,DOUB,O14,C7,,,,,15303,bmse000731,1
10,covalent,DOUB,O13,C5,,,,,15303,bmse000731,1
11,covalent,SING,N11,C10,,,,,15303,bmse000731,1
12,covalent,SING,N11,C7,,,,,15303,bmse000731,1
13,covalent,SING,N11,C2,,,,,15303,bmse000731,1
14,covalent,SING,C9,C8,,,,,15303,bmse000731,1
15,covalent,SING,C9,C10,,,,,15303,bmse000731,1
16,covalent,SING,C9,H26,,,,,15303,bmse000731,1
17,covalent,SING,C8,C6,,,,,15303,bmse000731,1
18,covalent,SING,C8,H25,,,,,15303,bmse000731,1
19,covalent,SING,C10,H27,,,,,15303,bmse000731,1
20,covalent,SING,C6,C4,,,,,15303,bmse000731,1
21,covalent,SING,C6,H24,,,,,15303,bmse000731,1
22,covalent,SING,C4,H22,,,,,15303,bmse000731,1
23,covalent,SING,C4,H23,,,,,15303,bmse000731,1
24,covalent,SING,C7,C3,,,,,15303,bmse000731,1
25,covalent,DOUB,C2,C1,,,,,15303,bmse000731,1
26,covalent,SING,C2,H19,,,,,15303,bmse000731,1
27,covalent,SING,C3,C5,,,,,15303,bmse000731,1
28,covalent,SING,C3,H20,,,,,15303,bmse000731,1
29,covalent,SING,C3,H21,,,,,15303,bmse000731,1
30,covalent,SING,C1,C5,,,,,15303,bmse000731,1
31,covalent,SING,C1,H18,,,,,15303,bmse000731,1
1,covalent,SING,S12,C7,,,,,15324,bmse000732,1
2,covalent,SING,S12,C2,,,,,15324,bmse000732,1
3,covalent,SING,N8,C5,,,,,15324,bmse000732,1
4,covalent,SING,N8,C3,,,,,15324,bmse000732,1
5,covalent,SING,N8,H20,,,,,15324,bmse000732,1
6,covalent,SING,N9,C6,,,,,15324,bmse000732,1
7,covalent,DOUB,N9,C3,,,,,15324,bmse000732,1
8,covalent,DOUB,N11,C7,,,,,15324,bmse000732,1
9,covalent,SING,N11,C4,,,,,15324,bmse000732,1
10,covalent,SING,N10,C6,,,,,15324,bmse000732,1
11,covalent,DOUB,N10,C4,,,,,15324,bmse000732,1
12,covalent,SING,C5,C7,,,,,15324,bmse000732,1
13,covalent,DOUB,C5,C6,,,,,15324,bmse000732,1
14,covalent,SING,C2,C1,,,,,15324,bmse000732,1
15,covalent,SING,C2,H16,,,,,15324,bmse000732,1
16,covalent,SING,C2,H17,,,,,15324,bmse000732,1
17,covalent,SING,C3,H18,,,,,15324,bmse000732,1
18,covalent,SING,C1,H15,,,,,15324,bmse000732,1
19,covalent,SING,C1,H13,,,,,15324,bmse000732,1
20,covalent,SING,C1,H14,,,,,15324,bmse000732,1
21,covalent,SING,C4,H19,,,,,15324,bmse000732,1
1,covalent,SING,C21,O26,,,,,15346,bmse000733,1
2,covalent,SING,O26,H65,,,,,15346,bmse000733,1
3,covalent,SING,C16,O25,,,,,15346,bmse000733,1
4,covalent,SING,O25,H64,,,,,15346,bmse000733,1
5,covalent,SING,O27,C22,,,,,15346,bmse000733,1
6,covalent,SING,O27,H66,,,,,15346,bmse000733,1
7,covalent,DOUB,O28,C22,,,,,15346,bmse000733,1
8,covalent,SING,C23,C20,,,,,15346,bmse000733,1
9,covalent,SING,C23,C15,,,,,15346,bmse000733,1
10,covalent,SING,C23,C11,,,,,15346,bmse000733,1
11,covalent,SING,C23,C2,,,,,15346,bmse000733,1
12,covalent,SING,C20,C17,,,,,15346,bmse000733,1
13,covalent,SING,C20,C13,,,,,15346,bmse000733,1
14,covalent,SING,C20,H62,,,,,15346,bmse000733,1
15,covalent,SING,C24,C19,,,,,15346,bmse000733,1
16,covalent,SING,C24,C18,,,,,15346,bmse000733,1
17,covalent,SING,C24,C21,,,,,15346,bmse000733,1
18,covalent,SING,C24,C3,,,,,15346,bmse000733,1
19,covalent,SING,C15,C5,,,,,15346,bmse000733,1
20,covalent,SING,C15,C12,,,,,15346,bmse000733,1
21,covalent,SING,C15,H59,,,,,15346,bmse000733,1
22,covalent,DOUB,C17,C19,,,,,15346,bmse000733,1
23,covalent,SING,C17,C6,,,,,15346,bmse000733,1
24,covalent,SING,C19,C8,,,,,15346,bmse000733,1
25,covalent,SING,C18,C7,,,,,15346,bmse000733,1
26,covalent,SING,C18,C14,,,,,15346,bmse000733,1
27,covalent,SING,C18,H61,,,,,15346,bmse000733,1
28,covalent,SING,C21,C13,,,,,15346,bmse000733,1
29,covalent,SING,C21,H63,,,,,15346,bmse000733,1
30,covalent,SING,C13,H56,,,,,15346,bmse000733,1
31,covalent,SING,C13,H57,,,,,15346,bmse000733,1
32,covalent,SING,C11,C10,,,,,15346,bmse000733,1
33,covalent,SING,C11,H52,,,,,15346,bmse000733,1
34,covalent,SING,C11,H53,,,,,15346,bmse000733,1
35,covalent,SING,C5,C6,,,,,15346,bmse000733,1
36,covalent,SING,C5,H40,,,,,15346,bmse000733,1
37,covalent,SING,C5,H41,,,,,15346,bmse000733,1
38,covalent,SING,C6,H42,,,,,15346,bmse000733,1
39,covalent,SING,C6,H43,,,,,15346,bmse000733,1
40,covalent,SING,C8,C7,,,,,15346,bmse000733,1
41,covalent,SING,C8,H46,,,,,15346,bmse000733,1
42,covalent,SING,C8,H47,,,,,15346,bmse000733,1
43,covalent,SING,C7,H44,,,,,15346,bmse000733,1
44,covalent,SING,C7,H45,,,,,15346,bmse000733,1
45,covalent,SING,C12,C16,,,,,15346,bmse000733,1
46,covalent,SING,C12,H54,,,,,15346,bmse000733,1
47,covalent,SING,C12,H55,,,,,15346,bmse000733,1
48,covalent,SING,C14,C4,,,,,15346,bmse000733,1
49,covalent,SING,C14,C1,,,,,15346,bmse000733,1
50,covalent,SING,C14,H58,,,,,15346,bmse000733,1
51,covalent,SING,C2,H33,,,,,15346,bmse000733,1
52,covalent,SING,C2,H34,,,,,15346,bmse000733,1
53,covalent,SING,C2,H32,,,,,15346,bmse000733,1
54,covalent,SING,C3,H37,,,,,15346,bmse000733,1
55,covalent,SING,C3,H35,,,,,15346,bmse000733,1
56,covalent,SING,C3,H36,,,,,15346,bmse000733,1
57,covalent,SING,C10,C16,,,,,15346,bmse000733,1
58,covalent,SING,C10,H50,,,,,15346,bmse000733,1
59,covalent,SING,C10,H51,,,,,15346,bmse000733,1
60,covalent,SING,C16,H60,,,,,15346,bmse000733,1
61,covalent,SING,C4,C9,,,,,15346,bmse000733,1
62,covalent,SING,C4,H38,,,,,15346,bmse000733,1
63,covalent,SING,C4,H39,,,,,15346,bmse000733,1
64,covalent,SING,C1,H30,,,,,15346,bmse000733,1
65,covalent,SING,C1,H29,,,,,15346,bmse000733,1
66,covalent,SING,C1,H31,,,,,15346,bmse000733,1
67,covalent,SING,C9,C22,,,,,15346,bmse000733,1
68,covalent,SING,C9,H48,,,,,15346,bmse000733,1
69,covalent,SING,C9,H49,,,,,15346,bmse000733,1
1,covalent,SING,O23,C11,,,,,15367,bmse000734,1
2,covalent,SING,O23,C13,,,,,15367,bmse000734,1
3,covalent,SING,O24,C12,,,,,15367,bmse000734,1
4,covalent,SING,O24,C14,,,,,15367,bmse000734,1
5,covalent,SING,O25,C15,,,,,15367,bmse000734,1
6,covalent,SING,O25,C19,,,,,15367,bmse000734,1
7,covalent,SING,O26,C16,,,,,15367,bmse000734,1
8,covalent,SING,O26,C20,,,,,15367,bmse000734,1
9,covalent,DOUB,O21,C19,,,,,15367,bmse000734,1
10,covalent,DOUB,O22,C20,,,,,15367,bmse000734,1
11,covalent,SING,C5,C3,,,,,15367,bmse000734,1
12,covalent,SING,C5,C11,,,,,15367,bmse000734,1
13,covalent,SING,C5,H37,,,,,15367,bmse000734,1
14,covalent,SING,C5,H38,,,,,15367,bmse000734,1
15,covalent,SING,C6,C4,,,,,15367,bmse000734,1
16,covalent,SING,C6,C12,,,,,15367,bmse000734,1
17,covalent,SING,C6,H39,,,,,15367,bmse000734,1
18,covalent,SING,C6,H40,,,,,15367,bmse000734,1
19,covalent,SING,C3,C1,,,,,15367,bmse000734,1
20,covalent,SING,C3,H33,,,,,15367,bmse000734,1
21,covalent,SING,C3,H34,,,,,15367,bmse000734,1
22,covalent,SING,C4,C2,,,,,15367,bmse000734,1
23,covalent,SING,C4,H35,,,,,15367,bmse000734,1
24,covalent,SING,C4,H36,,,,,15367,bmse000734,1
25,covalent,SING,C11,H45,,,,,15367,bmse000734,1
26,covalent,SING,C11,H46,,,,,15367,bmse000734,1
27,covalent,SING,C12,H47,,,,,15367,bmse000734,1
28,covalent,SING,C12,H48,,,,,15367,bmse000734,1
29,covalent,SING,C13,C15,,,,,15367,bmse000734,1
30,covalent,SING,C13,H49,,,,,15367,bmse000734,1
31,covalent,SING,C13,H50,,,,,15367,bmse000734,1
32,covalent,SING,C14,C16,,,,,15367,bmse000734,1
33,covalent,SING,C14,H51,,,,,15367,bmse000734,1
34,covalent,SING,C14,H52,,,,,15367,bmse000734,1
35,covalent,SING,C1,H29,,,,,15367,bmse000734,1
36,covalent,SING,C1,H27,,,,,15367,bmse000734,1
37,covalent,SING,C1,H28,,,,,15367,bmse000734,1
38,covalent,SING,C2,H32,,,,,15367,bmse000734,1
39,covalent,SING,C2,H30,,,,,15367,bmse000734,1
40,covalent,SING,C2,H31,,,,,15367,bmse000734,1
41,covalent,SING,C15,H53,,,,,15367,bmse000734,1
42,covalent,SING,C15,H54,,,,,15367,bmse000734,1
43,covalent,SING,C16,H55,,,,,15367,bmse000734,1
44,covalent,SING,C16,H56,,,,,15367,bmse000734,1
45,covalent,SING,C17,C18,,,,,15367,bmse000734,1
46,covalent,SING,C17,C19,,,,,15367,bmse000734,1
47,covalent,DOUB,C17,C9,,,,,15367,bmse000734,1
48,covalent,SING,C18,C20,,,,,15367,bmse000734,1
49,covalent,DOUB,C18,C10,,,,,15367,bmse000734,1
50,covalent,SING,C9,C7,,,,,15367,bmse000734,1
51,covalent,SING,C9,H43,,,,,15367,bmse000734,1
52,covalent,SING,C10,C8,,,,,15367,bmse000734,1
53,covalent,SING,C10,H44,,,,,15367,bmse000734,1
54,covalent,DOUB,C7,C8,,,,,15367,bmse000734,1
55,covalent,SING,C7,H41,,,,,15367,bmse000734,1
56,covalent,SING,C8,H42,,,,,15367,bmse000734,1
1,covalent,SING,C6,O1,,,,,15388,bmse000735,1
2,covalent,SING,O1,H57,,,,,15388,bmse000735,1
3,covalent,SING,C11,O2,,,,,15388,bmse000735,1
4,covalent,SING,O2,H58,,,,,15388,bmse000735,1
5,covalent,SING,C24,O3,,,,,15388,bmse000735,1
6,covalent,SING,O3,H62,,,,,15388,bmse000735,1
7,covalent,SING,O4,C26,,,,,15388,bmse000735,1
8,covalent,SING,O4,C28,,,,,15388,bmse000735,1
9,covalent,DOUB,O5,C28,,,,,15388,bmse000735,1
10,covalent,SING,C6,C7,,,,,15388,bmse000735,1
11,covalent,SING,C6,C8,,,,,15388,bmse000735,1
12,covalent,SING,C6,C15,,,,,15388,bmse000735,1
13,covalent,SING,C7,C9,,,,,15388,bmse000735,1
14,covalent,SING,C7,C16,,,,,15388,bmse000735,1
15,covalent,SING,C7,H29,,,,,15388,bmse000735,1
16,covalent,SING,C8,C11,,,,,15388,bmse000735,1
17,covalent,SING,C8,C14,,,,,15388,bmse000735,1
18,covalent,SING,C8,C20,,,,,15388,bmse000735,1
19,covalent,SING,C9,C10,,,,,15388,bmse000735,1
20,covalent,SING,C9,C13,,,,,15388,bmse000735,1
21,covalent,SING,C9,H30,,,,,15388,bmse000735,1
22,covalent,SING,C10,C12,,,,,15388,bmse000735,1
23,covalent,SING,C10,C19,,,,,15388,bmse000735,1
24,covalent,SING,C10,C22,,,,,15388,bmse000735,1
25,covalent,SING,C11,C13,,,,,15388,bmse000735,1
26,covalent,SING,C11,H31,,,,,15388,bmse000735,1
27,covalent,SING,C12,C17,,,,,15388,bmse000735,1
28,covalent,SING,C12,C21,,,,,15388,bmse000735,1
29,covalent,SING,C12,H32,,,,,15388,bmse000735,1
30,covalent,SING,C13,H33,,,,,15388,bmse000735,1
31,covalent,SING,C13,H34,,,,,15388,bmse000735,1
32,covalent,SING,C14,C18,,,,,15388,bmse000735,1
33,covalent,SING,C14,C25,,,,,15388,bmse000735,1
34,covalent,SING,C14,H35,,,,,15388,bmse000735,1
35,covalent,SING,C15,C18,,,,,15388,bmse000735,1
36,covalent,SING,C15,H36,,,,,15388,bmse000735,1
37,covalent,SING,C15,H37,,,,,15388,bmse000735,1
38,covalent,SING,C16,C17,,,,,15388,bmse000735,1
39,covalent,SING,C16,H38,,,,,15388,bmse000735,1
40,covalent,SING,C16,H39,,,,,15388,bmse000735,1
41,covalent,SING,C17,H40,,,,,15388,bmse000735,1
42,covalent,SING,C17,H41,,,,,15388,bmse000735,1
43,covalent,SING,C18,H42,,,,,15388,bmse000735,1
44,covalent,SING,C18,H43,,,,,15388,bmse000735,1
45,covalent,SING,C19,C23,,,,,15388,bmse000735,1
46,covalent,SING,C19,H44,,,,,15388,bmse000735,1
47,covalent,SING,C19,H45,,,,,15388,bmse000735,1
48,covalent,SING,C20,H46,,,,,15388,bmse000735,1
49,covalent,SING,C20,H47,,,,,15388,bmse000735,1
50,covalent,SING,C20,H48,,,,,15388,bmse000735,1
51,covalent,SING,C21,C24,,,,,15388,bmse000735,1
52,covalent,SING,C21,H49,,,,,15388,bmse000735,1
53,covalent,SING,C21,H50,,,,,15388,bmse000735,1
54,covalent,SING,C22,H51,,,,,15388,bmse000735,1
55,covalent,SING,C22,H52,,,,,15388,bmse000735,1
56,covalent,SING,C22,H53,,,,,15388,bmse000735,1
57,covalent,SING,C23,C24,,,,,15388,bmse000735,1
58,covalent,SING,C23,H54,,,,,15388,bmse000735,1
59,covalent,SING,C23,H55,,,,,15388,bmse000735,1
60,covalent,SING,C24,H56,,,,,15388,bmse000735,1
61,covalent,SING,C25,C26,,,,,15388,bmse000735,1
62,covalent,DOUB,C25,C27,,,,,15388,bmse000735,1
63,covalent,SING,C26,H59,,,,,15388,bmse000735,1
64,covalent,SING,C26,H60,,,,,15388,bmse000735,1
65,covalent,SING,C27,C28,,,,,15388,bmse000735,1
66,covalent,SING,C27,H61,,,,,15388,bmse000735,1
1,covalent,SING,O11,C9,,,,,15410,bmse000736,1
2,covalent,SING,O11,C8,,,,,15410,bmse000736,1
3,covalent,DOUB,O10,C8,,,,,15410,bmse000736,1
4,covalent,DOUB,C7,C6,,,,,15410,bmse000736,1
5,covalent,SING,C7,C4,,,,,15410,bmse000736,1
6,covalent,SING,C7,C1,,,,,15410,bmse000736,1
7,covalent,SING,C9,C6,,,,,15410,bmse000736,1
8,covalent,DOUB,C9,C5,,,,,15410,bmse000736,1
9,covalent,SING,C6,H21,,,,,15410,bmse000736,1
10,covalent,DOUB,C4,C3,,,,,15410,bmse000736,1
11,covalent,SING,C4,H19,,,,,15410,bmse000736,1
12,covalent,SING,C5,C3,,,,,15410,bmse000736,1
13,covalent,SING,C5,H20,,,,,15410,bmse000736,1
14,covalent,SING,C3,H18,,,,,15410,bmse000736,1
15,covalent,SING,C1,H12,,,,,15410,bmse000736,1
16,covalent,SING,C1,H13,,,,,15410,bmse000736,1
17,covalent,SING,C1,H14,,,,,15410,bmse000736,1
18,covalent,SING,C8,C2,,,,,15410,bmse000736,1
19,covalent,SING,C2,H17,,,,,15410,bmse000736,1
20,covalent,SING,C2,H16,,,,,15410,bmse000736,1
21,covalent,SING,C2,H15,,,,,15410,bmse000736,1
1,covalent,SING,O15,C14,,,,,15424,bmse000737,1
2,covalent,SING,O15,H44,,,,,15424,bmse000737,1
3,covalent,DOUB,O16,C14,,,,,15424,bmse000737,1
4,covalent,SING,C7,C8,,,,,15424,bmse000737,1
5,covalent,SING,C7,C6,,,,,15424,bmse000737,1
6,covalent,SING,C7,H30,,,,,15424,bmse000737,1
7,covalent,SING,C7,H31,,,,,15424,bmse000737,1
8,covalent,SING,C8,C9,,,,,15424,bmse000737,1
9,covalent,SING,C8,H32,,,,,15424,bmse000737,1
10,covalent,SING,C8,H33,,,,,15424,bmse000737,1
11,covalent,SING,C6,C5,,,,,15424,bmse000737,1
12,covalent,SING,C6,H28,,,,,15424,bmse000737,1
13,covalent,SING,C6,H29,,,,,15424,bmse000737,1
14,covalent,SING,C9,C10,,,,,15424,bmse000737,1
15,covalent,SING,C9,H34,,,,,15424,bmse000737,1
16,covalent,SING,C9,H35,,,,,15424,bmse000737,1
17,covalent,SING,C5,C4,,,,,15424,bmse000737,1
18,covalent,SING,C5,H26,,,,,15424,bmse000737,1
19,covalent,SING,C5,H27,,,,,15424,bmse000737,1
20,covalent,SING,C10,C11,,,,,15424,bmse000737,1
21,covalent,SING,C10,H36,,,,,15424,bmse000737,1
22,covalent,SING,C10,H37,,,,,15424,bmse000737,1
23,covalent,SING,C4,C3,,,,,15424,bmse000737,1
24,covalent,SING,C4,H24,,,,,15424,bmse000737,1
25,covalent,SING,C4,H25,,,,,15424,bmse000737,1
26,covalent,SING,C11,C12,,,,,15424,bmse000737,1
27,covalent,SING,C11,H38,,,,,15424,bmse000737,1
28,covalent,SING,C11,H39,,,,,15424,bmse000737,1
29,covalent,SING,C3,C2,,,,,15424,bmse000737,1
30,covalent,SING,C3,H22,,,,,15424,bmse000737,1
31,covalent,SING,C3,H23,,,,,15424,bmse000737,1
32,covalent,SING,C12,C13,,,,,15424,bmse000737,1
33,covalent,SING,C12,H40,,,,,15424,bmse000737,1
34,covalent,SING,C12,H41,,,,,15424,bmse000737,1
35,covalent,SING,C2,C1,,,,,15424,bmse000737,1
36,covalent,SING,C2,H20,,,,,15424,bmse000737,1
37,covalent,SING,C2,H21,,,,,15424,bmse000737,1
38,covalent,SING,C13,C14,,,,,15424,bmse000737,1
39,covalent,SING,C13,H42,,,,,15424,bmse000737,1
40,covalent,SING,C13,H43,,,,,15424,bmse000737,1
41,covalent,SING,C1,H19,,,,,15424,bmse000737,1
42,covalent,SING,C1,H17,,,,,15424,bmse000737,1
43,covalent,SING,C1,H18,,,,,15424,bmse000737,1
1,covalent,DOUB,O5,C2,,,,,15444,bmse000738,1
2,covalent,SING,N4,C1,,,,,15444,bmse000738,1
3,covalent,SING,N4,C2,,,,,15444,bmse000738,1
4,covalent,SING,N4,H11,,,,,15444,bmse000738,1
5,covalent,SING,N3,C2,,,,,15444,bmse000738,1
6,covalent,SING,N3,H9,,,,,15444,bmse000738,1
7,covalent,SING,N3,H10,,,,,15444,bmse000738,1
8,covalent,SING,C1,H6,,,,,15444,bmse000738,1
9,covalent,SING,C1,H7,,,,,15444,bmse000738,1
10,covalent,SING,C1,H8,,,,,15444,bmse000738,1
1,covalent,SING,F8,C6,,,,,15463,bmse000739,1
2,covalent,SING,O9,C7,,,,,15463,bmse000739,1
3,covalent,SING,O9,H15,,,,,15463,bmse000739,1
4,covalent,DOUB,O10,C7,,,,,15463,bmse000739,1
5,covalent,DOUB,C5,C1,,,,,15463,bmse000739,1
6,covalent,SING,C5,C2,,,,,15463,bmse000739,1
7,covalent,SING,C5,C7,,,,,15463,bmse000739,1
8,covalent,SING,C1,C3,,,,,15463,bmse000739,1
9,covalent,SING,C1,H11,,,,,15463,bmse000739,1
10,covalent,DOUB,C2,C4,,,,,15463,bmse000739,1
11,covalent,SING,C2,H12,,,,,15463,bmse000739,1
12,covalent,DOUB,C3,C6,,,,,15463,bmse000739,1
13,covalent,SING,C3,H13,,,,,15463,bmse000739,1
14,covalent,SING,C4,C6,,,,,15463,bmse000739,1
15,covalent,SING,C4,H14,,,,,15463,bmse000739,1
1,covalent,SING,O13,C7,,,,,15483,bmse000740,1
2,covalent,SING,O13,C1,,,,,15483,bmse000740,1
3,covalent,SING,C5,O11,,,,,15483,bmse000740,1
4,covalent,SING,O11,H26,,,,,15483,bmse000740,1
5,covalent,SING,C6,O12,,,,,15483,bmse000740,1
6,covalent,SING,O12,H27,,,,,15483,bmse000740,1
7,covalent,SING,C3,O9,,,,,15483,bmse000740,1
8,covalent,SING,O9,H24,,,,,15483,bmse000740,1
9,covalent,SING,C4,O10,,,,,15483,bmse000740,1
10,covalent,SING,O10,H25,,,,,15483,bmse000740,1
11,covalent,SING,O8,C2,,,,,15483,bmse000740,1
12,covalent,SING,O8,H23,,,,,15483,bmse000740,1
13,covalent,SING,C7,C5,,,,,15483,bmse000740,1
14,covalent,SING,C7,C6,,,,,15483,bmse000740,1
15,covalent,SING,C7,H22,,,,,15483,bmse000740,1
16,covalent,SING,C5,C3,,,,,15483,bmse000740,1
17,covalent,SING,C5,H20,,,,,15483,bmse000740,1
18,covalent,SING,C6,C4,,,,,15483,bmse000740,1
19,covalent,SING,C6,H21,,,,,15483,bmse000740,1
20,covalent,SING,C3,C2,,,,,15483,bmse000740,1
21,covalent,SING,C3,H18,,,,,15483,bmse000740,1
22,covalent,SING,C4,C2,,,,,15483,bmse000740,1
23,covalent,SING,C4,H19,,,,,15483,bmse000740,1
24,covalent,SING,C2,H17,,,,,15483,bmse000740,1
25,covalent,SING,C1,H16,,,,,15483,bmse000740,1
26,covalent,SING,C1,H15,,,,,15483,bmse000740,1
27,covalent,SING,C1,H14,,,,,15483,bmse000740,1
1,covalent,SING,O9,C5,,,,,15505,bmse000741,1
2,covalent,SING,O9,H19,,,,,15505,bmse000741,1
3,covalent,SING,O7,C4,,,,,15505,bmse000741,1
4,covalent,SING,O7,H18,,,,,15505,bmse000741,1
5,covalent,DOUB,O10,C5,,,,,15505,bmse000741,1
6,covalent,DOUB,O8,C4,,,,,15505,bmse000741,1
7,covalent,SING,C3,N6,,,,,15505,bmse000741,1
8,covalent,SING,N6,C1,,,,,15505,bmse000741,1
9,covalent,SING,N6,H17,,,,,15505,bmse000741,1
10,covalent,SING,C3,C2,,,,,15505,bmse000741,1
11,covalent,SING,C3,C5,,,,,15505,bmse000741,1
12,covalent,SING,C3,H16,,,,,15505,bmse000741,1
13,covalent,SING,C2,C4,,,,,15505,bmse000741,1
14,covalent,SING,C2,H14,,,,,15505,bmse000741,1
15,covalent,SING,C2,H15,,,,,15505,bmse000741,1
16,covalent,SING,C1,H13,,,,,15505,bmse000741,1
17,covalent,SING,C1,H12,,,,,15505,bmse000741,1
18,covalent,SING,C1,H11,,,,,15505,bmse000741,1
1,covalent,SING,O11,C7,,,,,15526,bmse000742,1
2,covalent,SING,O11,C6,,,,,15526,bmse000742,1
3,covalent,SING,O9,C8,,,,,15526,bmse000742,1
4,covalent,SING,O9,H19,,,,,15526,bmse000742,1
5,covalent,DOUB,O10,C8,,,,,15526,bmse000742,1
6,covalent,DOUB,C7,C4,,,,,15526,bmse000742,1
7,covalent,SING,C7,C5,,,,,15526,bmse000742,1
8,covalent,SING,C4,C2,,,,,15526,bmse000742,1
9,covalent,SING,C4,H15,,,,,15526,bmse000742,1
10,covalent,DOUB,C5,C3,,,,,15526,bmse000742,1
11,covalent,SING,C5,H16,,,,,15526,bmse000742,1
12,covalent,SING,C6,C8,,,,,15526,bmse000742,1
13,covalent,SING,C6,H17,,,,,15526,bmse000742,1
14,covalent,SING,C6,H18,,,,,15526,bmse000742,1
15,covalent,DOUB,C2,C1,,,,,15526,bmse000742,1
16,covalent,SING,C2,H13,,,,,15526,bmse000742,1
17,covalent,SING,C3,C1,,,,,15526,bmse000742,1
18,covalent,SING,C3,H14,,,,,15526,bmse000742,1
19,covalent,SING,C1,H12,,,,,15526,bmse000742,1
1,covalent,DOUB,O9,C7,,,,,15547,bmse000743,1
2,covalent,SING,O10,C8,,,,,15547,bmse000743,1
3,covalent,SING,O10,H17,,,,,15547,bmse000743,1
4,covalent,DOUB,O11,C8,,,,,15547,bmse000743,1
5,covalent,DOUB,C6,C4,,,,,15547,bmse000743,1
6,covalent,SING,C6,C5,,,,,15547,bmse000743,1
7,covalent,SING,C6,C7,,,,,15547,bmse000743,1
8,covalent,SING,C4,C2,,,,,15547,bmse000743,1
9,covalent,SING,C4,H15,,,,,15547,bmse000743,1
10,covalent,DOUB,C5,C3,,,,,15547,bmse000743,1
11,covalent,SING,C5,H16,,,,,15547,bmse000743,1
12,covalent,DOUB,C2,C1,,,,,15547,bmse000743,1
13,covalent,SING,C2,H13,,,,,15547,bmse000743,1
14,covalent,SING,C3,C1,,,,,15547,bmse000743,1
15,covalent,SING,C3,H14,,,,,15547,bmse000743,1
16,covalent,SING,C7,C8,,,,,15547,bmse000743,1
17,covalent,SING,C1,H12,,,,,15547,bmse000743,1
1,covalent,SING,N8,C5,,,,,15569,bmse000744,1
2,covalent,SING,N8,C4,,,,,15569,bmse000744,1
3,covalent,SING,N8,H17,,,,,15569,bmse000744,1
4,covalent,SING,N6,C2,,,,,15569,bmse000744,1
5,covalent,SING,N6,H15,,,,,15569,bmse000744,1
6,covalent,SING,N6,H16,,,,,15569,bmse000744,1
7,covalent,SING,N7,C3,,,,,15569,bmse000744,1
8,covalent,DOUB,N7,C4,,,,,15569,bmse000744,1
9,covalent,SING,C1,C5,,,,,15569,bmse000744,1
10,covalent,SING,C1,C2,,,,,15569,bmse000744,1
11,covalent,SING,C1,H9,,,,,15569,bmse000744,1
12,covalent,SING,C1,H10,,,,,15569,bmse000744,1
13,covalent,DOUB,C5,C3,,,,,15569,bmse000744,1
14,covalent,SING,C2,H11,,,,,15569,bmse000744,1
15,covalent,SING,C2,H12,,,,,15569,bmse000744,1
16,covalent,SING,C3,H13,,,,,15569,bmse000744,1
17,covalent,SING,C4,H14,,,,,15569,bmse000744,1
1,covalent,SING,O12,C6,,,,,15589,bmse000745,1
2,covalent,SING,O12,H29,,,,,15589,bmse000745,1
3,covalent,DOUB,O13,C6,,,,,15589,bmse000745,1
4,covalent,SING,C5,N8,,,,,15589,bmse000745,1
5,covalent,SING,N8,H23,,,,,15589,bmse000745,1
6,covalent,SING,N8,H24,,,,,15589,bmse000745,1
7,covalent,SING,N11,C4,,,,,15589,bmse000745,1
8,covalent,DOUB,N11,C7,,,,,15589,bmse000745,1
9,covalent,SING,N9,C7,,,,,15589,bmse000745,1
10,covalent,SING,N9,H25,,,,,15589,bmse000745,1
11,covalent,SING,N9,H26,,,,,15589,bmse000745,1
12,covalent,SING,N10,C7,,,,,15589,bmse000745,1
13,covalent,SING,N10,H27,,,,,15589,bmse000745,1
14,covalent,SING,N10,H28,,,,,15589,bmse000745,1
15,covalent,SING,C1,C3,,,,,15589,bmse000745,1
16,covalent,SING,C1,C2,,,,,15589,bmse000745,1
17,covalent,SING,C1,H14,,,,,15589,bmse000745,1
18,covalent,SING,C1,H15,,,,,15589,bmse000745,1
19,covalent,SING,C3,C5,,,,,15589,bmse000745,1
20,covalent,SING,C3,H18,,,,,15589,bmse000745,1
21,covalent,SING,C3,H19,,,,,15589,bmse000745,1
22,covalent,SING,C2,C4,,,,,15589,bmse000745,1
23,covalent,SING,C2,H16,,,,,15589,bmse000745,1
24,covalent,SING,C2,H17,,,,,15589,bmse000745,1
25,covalent,SING,C5,C6,,,,,15589,bmse000745,1
26,covalent,SING,C5,H22,,,,,15589,bmse000745,1
27,covalent,SING,C4,H20,,,,,15589,bmse000745,1
28,covalent,SING,C4,H21,,,,,15589,bmse000745,1
1,covalent,SING,O8,C5,,,,,15609,bmse000746,1
2,covalent,SING,O8,H15,,,,,15609,bmse000746,1
3,covalent,SING,O6,C4,,,,,15609,bmse000746,1
4,covalent,SING,O6,H14,,,,,15609,bmse000746,1
5,covalent,DOUB,O9,C5,,,,,15609,bmse000746,1
6,covalent,DOUB,O7,C4,,,,,15609,bmse000746,1
7,covalent,SING,C3,C1,,,,,15609,bmse000746,1
8,covalent,DOUB,C3,C2,,,,,15609,bmse000746,1
9,covalent,SING,C3,C5,,,,,15609,bmse000746,1
10,covalent,SING,C1,H10,,,,,15609,bmse000746,1
11,covalent,SING,C1,H11,,,,,15609,bmse000746,1
12,covalent,SING,C1,H12,,,,,15609,bmse000746,1
13,covalent,SING,C2,C4,,,,,15609,bmse000746,1
14,covalent,SING,C2,H13,,,,,15609,bmse000746,1
1,covalent,SING,I20,C10,,,,,15627,bmse000747,1
2,covalent,SING,I19,C9,,,,,15627,bmse000747,1
3,covalent,SING,I21,C11,,,,,15627,bmse000747,1
4,covalent,SING,O32,C7,,,,,15627,bmse000747,1
5,covalent,SING,O32,C18,,,,,15627,bmse000747,1
6,covalent,SING,C16,O29,,,,,15627,bmse000747,1
7,covalent,SING,O29,H53,,,,,15627,bmse000747,1
8,covalent,SING,C15,O28,,,,,15627,bmse000747,1
9,covalent,SING,O28,H52,,,,,15627,bmse000747,1
10,covalent,SING,O31,C18,,,,,15627,bmse000747,1
11,covalent,SING,O31,H54,,,,,15627,bmse000747,1
12,covalent,SING,O25,C4,,,,,15627,bmse000747,1
13,covalent,SING,O25,H51,,,,,15627,bmse000747,1
14,covalent,DOUB,O30,C17,,,,,15627,bmse000747,1
15,covalent,DOUB,O27,C6,,,,,15627,bmse000747,1
16,covalent,DOUB,O26,C5,,,,,15627,bmse000747,1
17,covalent,SING,C13,N23,,,,,15627,bmse000747,1
18,covalent,SING,N23,C17,,,,,15627,bmse000747,1
19,covalent,SING,N23,H50,,,,,15627,bmse000747,1
20,covalent,SING,N24,C14,,,,,15627,bmse000747,1
21,covalent,SING,N24,C3,,,,,15627,bmse000747,1
22,covalent,SING,N24,C6,,,,,15627,bmse000747,1
23,covalent,SING,N22,C12,,,,,15627,bmse000747,1
24,covalent,SING,N22,C5,,,,,15627,bmse000747,1
25,covalent,SING,N22,H49,,,,,15627,bmse000747,1
26,covalent,SING,C13,C16,,,,,15627,bmse000747,1
27,covalent,SING,C13,C18,,,,,15627,bmse000747,1
28,covalent,SING,C13,H45,,,,,15627,bmse000747,1
29,covalent,SING,C16,C15,,,,,15627,bmse000747,1
30,covalent,SING,C16,H47,,,,,15627,bmse000747,1
31,covalent,SING,C15,C7,,,,,15627,bmse000747,1
32,covalent,SING,C15,H46,,,,,15627,bmse000747,1
33,covalent,SING,C7,C4,,,,,15627,bmse000747,1
34,covalent,SING,C7,H44,,,,,15627,bmse000747,1
35,covalent,SING,C18,H48,,,,,15627,bmse000747,1
36,covalent,SING,C4,H42,,,,,15627,bmse000747,1
37,covalent,SING,C4,H43,,,,,15627,bmse000747,1
38,covalent,SING,C17,C8,,,,,15627,bmse000747,1
39,covalent,SING,C8,C10,,,,,15627,bmse000747,1
40,covalent,DOUB,C8,C9,,,,,15627,bmse000747,1
41,covalent,DOUB,C10,C14,,,,,15627,bmse000747,1
42,covalent,SING,C9,C12,,,,,15627,bmse000747,1
43,covalent,SING,C14,C11,,,,,15627,bmse000747,1
44,covalent,DOUB,C12,C11,,,,,15627,bmse000747,1
45,covalent,SING,C3,H39,,,,,15627,bmse000747,1
46,covalent,SING,C3,H41,,,,,15627,bmse000747,1
47,covalent,SING,C3,H40,,,,,15627,bmse000747,1
48,covalent,SING,C6,C2,,,,,15627,bmse000747,1
49,covalent,SING,C5,C1,,,,,15627,bmse000747,1
50,covalent,SING,C2,H38,,,,,15627,bmse000747,1
51,covalent,SING,C2,H37,,,,,15627,bmse000747,1
52,covalent,SING,C2,H36,,,,,15627,bmse000747,1
53,covalent,SING,C1,H33,,,,,15627,bmse000747,1
54,covalent,SING,C1,H34,,,,,15627,bmse000747,1
55,covalent,SING,C1,H35,,,,,15627,bmse000747,1
1,covalent,DOUB,O6,C1,,,,,15641,bmse000748,1
2,covalent,DOUB,O7,C2,,,,,15641,bmse000748,1
3,covalent,DOUB,O8,C3,,,,,15641,bmse000748,1
4,covalent,SING,N4,C1,,,,,15641,bmse000748,1
5,covalent,SING,N4,C3,,,,,15641,bmse000748,1
6,covalent,SING,N4,H9,,,,,15641,bmse000748,1
7,covalent,SING,N5,C2,,,,,15641,bmse000748,1
8,covalent,SING,N5,C3,,,,,15641,bmse000748,1
9,covalent,SING,N5,H10,,,,,15641,bmse000748,1
10,covalent,SING,C1,C2,,,,,15641,bmse000748,1
1,covalent,SING,O23,C14,,,,,15657,bmse000749,1
2,covalent,SING,O23,H56,,,,,15657,bmse000749,1
3,covalent,DOUB,O24,C19,,,,,15657,bmse000749,1
4,covalent,SING,O22,C12,,,,,15657,bmse000749,1
5,covalent,SING,O22,H55,,,,,15657,bmse000749,1
6,covalent,SING,C21,C16,,,,,15657,bmse000749,1
7,covalent,SING,C21,C18,,,,,15657,bmse000749,1
8,covalent,SING,C21,C10,,,,,15657,bmse000749,1
9,covalent,SING,C21,C2,,,,,15657,bmse000749,1
10,covalent,SING,C16,C15,,,,,15657,bmse000749,1
11,covalent,SING,C16,C5,,,,,15657,bmse000749,1
12,covalent,SING,C16,H52,,,,,15657,bmse000749,1
13,covalent,SING,C15,C17,,,,,15657,bmse000749,1
14,covalent,SING,C15,C4,,,,,15657,bmse000749,1
15,covalent,SING,C15,H51,,,,,15657,bmse000749,1
16,covalent,SING,C17,C20,,,,,15657,bmse000749,1
17,covalent,SING,C17,C8,,,,,15657,bmse000749,1
18,covalent,SING,C17,H53,,,,,15657,bmse000749,1
19,covalent,SING,C20,C13,,,,,15657,bmse000749,1
20,covalent,SING,C20,C9,,,,,15657,bmse000749,1
21,covalent,SING,C20,C1,,,,,15657,bmse000749,1
22,covalent,SING,C18,C6,,,,,15657,bmse000749,1
23,covalent,SING,C18,C19,,,,,15657,bmse000749,1
24,covalent,SING,C18,H54,,,,,15657,bmse000749,1
25,covalent,SING,C10,C8,,,,,15657,bmse000749,1
26,covalent,SING,C10,H44,,,,,15657,bmse000749,1
27,covalent,SING,C10,H45,,,,,15657,bmse000749,1
28,covalent,SING,C8,H40,,,,,15657,bmse000749,1
29,covalent,SING,C8,H41,,,,,15657,bmse000749,1
30,covalent,SING,C5,C6,,,,,15657,bmse000749,1
31,covalent,SING,C5,H34,,,,,15657,bmse000749,1
32,covalent,SING,C5,H35,,,,,15657,bmse000749,1
33,covalent,SING,C6,H36,,,,,15657,bmse000749,1
34,covalent,SING,C6,H37,,,,,15657,bmse000749,1
35,covalent,SING,C4,C3,,,,,15657,bmse000749,1
36,covalent,SING,C4,H32,,,,,15657,bmse000749,1
37,covalent,SING,C4,H33,,,,,15657,bmse000749,1
38,covalent,DOUB,C13,C3,,,,,15657,bmse000749,1
39,covalent,SING,C13,C11,,,,,15657,bmse000749,1
40,covalent,SING,C2,H28,,,,,15657,bmse000749,1
41,covalent,SING,C2,H30,,,,,15657,bmse000749,1
42,covalent,SING,C2,H29,,,,,15657,bmse000749,1
43,covalent,SING,C9,C7,,,,,15657,bmse000749,1
44,covalent,SING,C9,H42,,,,,15657,bmse000749,1
45,covalent,SING,C9,H43,,,,,15657,bmse000749,1
46,covalent,SING,C3,H31,,,,,15657,bmse000749,1
47,covalent,SING,C1,H27,,,,,15657,bmse000749,1
48,covalent,SING,C1,H26,,,,,15657,bmse000749,1
49,covalent,SING,C1,H25,,,,,15657,bmse000749,1
50,covalent,SING,C11,C14,,,,,15657,bmse000749,1
51,covalent,SING,C11,H46,,,,,15657,bmse000749,1
52,covalent,SING,C11,H47,,,,,15657,bmse000749,1
53,covalent,SING,C19,C12,,,,,15657,bmse000749,1
54,covalent,SING,C7,C14,,,,,15657,bmse000749,1
55,covalent,SING,C7,H38,,,,,15657,bmse000749,1
56,covalent,SING,C7,H39,,,,,15657,bmse000749,1
57,covalent,SING,C14,H50,,,,,15657,bmse000749,1
58,covalent,SING,C12,H48,,,,,15657,bmse000749,1
59,covalent,SING,C12,H49,,,,,15657,bmse000749,1
1,covalent,SING,O13,C6,,,,,15677,bmse000750,1
2,covalent,SING,O13,C9,,,,,15677,bmse000750,1
3,covalent,SING,O11,C8,,,,,15677,bmse000750,1
4,covalent,SING,O11,H23,,,,,15677,bmse000750,1
5,covalent,SING,O10,C5,,,,,15677,bmse000750,1
6,covalent,SING,O10,H22,,,,,15677,bmse000750,1
7,covalent,DOUB,O12,C9,,,,,15677,bmse000750,1
8,covalent,SING,C7,C8,,,,,15677,bmse000750,1
9,covalent,DOUB,C7,C3,,,,,15677,bmse000750,1
10,covalent,SING,C7,C9,,,,,15677,bmse000750,1
11,covalent,SING,C6,C5,,,,,15677,bmse000750,1
12,covalent,SING,C6,H20,,,,,15677,bmse000750,1
13,covalent,SING,C6,H21,,,,,15677,bmse000750,1
14,covalent,DOUB,C8,C4,,,,,15677,bmse000750,1
15,covalent,SING,C3,C1,,,,,15677,bmse000750,1
16,covalent,SING,C3,H16,,,,,15677,bmse000750,1
17,covalent,SING,C5,H18,,,,,15677,bmse000750,1
18,covalent,SING,C5,H19,,,,,15677,bmse000750,1
19,covalent,SING,C4,C2,,,,,15677,bmse000750,1
20,covalent,SING,C4,H17,,,,,15677,bmse000750,1
21,covalent,DOUB,C1,C2,,,,,15677,bmse000750,1
22,covalent,SING,C1,H14,,,,,15677,bmse000750,1
23,covalent,SING,C2,H15,,,,,15677,bmse000750,1
1,covalent,SING,O19,C13,,,,,15697,bmse000751,1
2,covalent,SING,O19,C7,,,,,15697,bmse000751,1
3,covalent,SING,O18,C12,,,,,15697,bmse000751,1
4,covalent,SING,O18,C5,,,,,15697,bmse000751,1
5,covalent,SING,O16,C11,,,,,15697,bmse000751,1
6,covalent,SING,O16,C2,,,,,15697,bmse000751,1
7,covalent,SING,O17,C14,,,,,15697,bmse000751,1
8,covalent,SING,O17,C3,,,,,15697,bmse000751,1
9,covalent,DOUB,O15,C9,,,,,15697,bmse000751,1
10,covalent,SING,C10,C13,,,,,15697,bmse000751,1
11,covalent,DOUB,C10,C11,,,,,15697,bmse000751,1
12,covalent,SING,C10,C9,,,,,15697,bmse000751,1
13,covalent,SING,C8,C11,,,,,15697,bmse000751,1
14,covalent,DOUB,C8,C12,,,,,15697,bmse000751,1
15,covalent,SING,C8,C4,,,,,15697,bmse000751,1
16,covalent,DOUB,C13,C14,,,,,15697,bmse000751,1
17,covalent,SING,C12,C14,,,,,15697,bmse000751,1
18,covalent,SING,C9,C6,,,,,15697,bmse000751,1
19,covalent,DOUB,C4,C5,,,,,15697,bmse000751,1
20,covalent,SING,C4,H29,,,,,15697,bmse000751,1
21,covalent,DOUB,C7,C6,,,,,15697,bmse000751,1
22,covalent,SING,C7,C1,,,,,15697,bmse000751,1
23,covalent,SING,C6,H31,,,,,15697,bmse000751,1
24,covalent,SING,C5,H30,,,,,15697,bmse000751,1
25,covalent,SING,C1,H20,,,,,15697,bmse000751,1
26,covalent,SING,C1,H21,,,,,15697,bmse000751,1
27,covalent,SING,C1,H22,,,,,15697,bmse000751,1
28,covalent,SING,C2,H23,,,,,15697,bmse000751,1
29,covalent,SING,C2,H25,,,,,15697,bmse000751,1
30,covalent,SING,C2,H24,,,,,15697,bmse000751,1
31,covalent,SING,C3,H28,,,,,15697,bmse000751,1
32,covalent,SING,C3,H27,,,,,15697,bmse000751,1
33,covalent,SING,C3,H26,,,,,15697,bmse000751,1
1,covalent,SING,S11,F8,,,,,15718,bmse000752,1
2,covalent,DOUB,S11,O9,,,,,15718,bmse000752,1
3,covalent,DOUB,S11,O10,,,,,15718,bmse000752,1
4,covalent,SING,S11,C6,,,,,15718,bmse000752,1
5,covalent,SING,C6,C7,,,,,15718,bmse000752,1
6,covalent,SING,C6,H17,,,,,15718,bmse000752,1
7,covalent,SING,C6,H18,,,,,15718,bmse000752,1
8,covalent,DOUB,C7,C4,,,,,15718,bmse000752,1
9,covalent,SING,C7,C5,,,,,15718,bmse000752,1
10,covalent,SING,C4,C2,,,,,15718,bmse000752,1
11,covalent,SING,C4,H15,,,,,15718,bmse000752,1
12,covalent,DOUB,C5,C3,,,,,15718,bmse000752,1
13,covalent,SING,C5,H16,,,,,15718,bmse000752,1
14,covalent,DOUB,C2,C1,,,,,15718,bmse000752,1
15,covalent,SING,C2,H13,,,,,15718,bmse000752,1
16,covalent,SING,C3,C1,,,,,15718,bmse000752,1
17,covalent,SING,C3,H14,,,,,15718,bmse000752,1
18,covalent,SING,C1,H12,,,,,15718,bmse000752,1
1,covalent,SING,O16,C13,,,,,15738,bmse000753,1
2,covalent,SING,O16,C14,,,,,15738,bmse000753,1
3,covalent,SING,O15,C12,,,,,15738,bmse000753,1
4,covalent,SING,O15,H46,,,,,15738,bmse000753,1
5,covalent,SING,C7,C6,,,,,15738,bmse000753,1
6,covalent,SING,C7,C8,,,,,15738,bmse000753,1
7,covalent,SING,C7,H30,,,,,15738,bmse000753,1
8,covalent,SING,C7,H31,,,,,15738,bmse000753,1
9,covalent,SING,C6,C5,,,,,15738,bmse000753,1
10,covalent,SING,C6,H28,,,,,15738,bmse000753,1
11,covalent,SING,C6,H29,,,,,15738,bmse000753,1
12,covalent,SING,C8,C9,,,,,15738,bmse000753,1
13,covalent,SING,C8,H32,,,,,15738,bmse000753,1
14,covalent,SING,C8,H33,,,,,15738,bmse000753,1
15,covalent,SING,C5,C4,,,,,15738,bmse000753,1
16,covalent,SING,C5,H26,,,,,15738,bmse000753,1
17,covalent,SING,C5,H27,,,,,15738,bmse000753,1
18,covalent,SING,C9,C10,,,,,15738,bmse000753,1
19,covalent,SING,C9,H34,,,,,15738,bmse000753,1
20,covalent,SING,C9,H35,,,,,15738,bmse000753,1
21,covalent,SING,C4,C3,,,,,15738,bmse000753,1
22,covalent,SING,C4,H24,,,,,15738,bmse000753,1
23,covalent,SING,C4,H25,,,,,15738,bmse000753,1
24,covalent,SING,C10,C11,,,,,15738,bmse000753,1
25,covalent,SING,C10,H36,,,,,15738,bmse000753,1
26,covalent,SING,C10,H37,,,,,15738,bmse000753,1
27,covalent,SING,C3,C2,,,,,15738,bmse000753,1
28,covalent,SING,C3,H22,,,,,15738,bmse000753,1
29,covalent,SING,C3,H23,,,,,15738,bmse000753,1
30,covalent,SING,C11,C13,,,,,15738,bmse000753,1
31,covalent,SING,C11,H38,,,,,15738,bmse000753,1
32,covalent,SING,C11,H39,,,,,15738,bmse000753,1
33,covalent,SING,C2,C1,,,,,15738,bmse000753,1
34,covalent,SING,C2,H20,,,,,15738,bmse000753,1
35,covalent,SING,C2,H21,,,,,15738,bmse000753,1
36,covalent,SING,C13,H42,,,,,15738,bmse000753,1
37,covalent,SING,C13,H43,,,,,15738,bmse000753,1
38,covalent,SING,C1,H19,,,,,15738,bmse000753,1
39,covalent,SING,C1,H17,,,,,15738,bmse000753,1
40,covalent,SING,C1,H18,,,,,15738,bmse000753,1
41,covalent,SING,C14,C12,,,,,15738,bmse000753,1
42,covalent,SING,C14,H44,,,,,15738,bmse000753,1
43,covalent,SING,C14,H45,,,,,15738,bmse000753,1
44,covalent,SING,C12,H40,,,,,15738,bmse000753,1
45,covalent,SING,C12,H41,,,,,15738,bmse000753,1
1,covalent,SING,O14,C12,,,,,15756,bmse000754,1
2,covalent,SING,O14,C11,,,,,15756,bmse000754,1
3,covalent,SING,O13,C10,,,,,15756,bmse000754,1
4,covalent,SING,O13,C3,,,,,15756,bmse000754,1
5,covalent,SING,C12,C7,,,,,15756,bmse000754,1
6,covalent,SING,C12,C1,,,,,15756,bmse000754,1
7,covalent,SING,C12,C2,,,,,15756,bmse000754,1
8,covalent,DOUB,C7,C6,,,,,15756,bmse000754,1
9,covalent,SING,C7,H27,,,,,15756,bmse000754,1
10,covalent,DOUB,C11,C9,,,,,15756,bmse000754,1
11,covalent,SING,C11,C8,,,,,15756,bmse000754,1
12,covalent,SING,C1,H17,,,,,15756,bmse000754,1
13,covalent,SING,C1,H15,,,,,15756,bmse000754,1
14,covalent,SING,C1,H16,,,,,15756,bmse000754,1
15,covalent,SING,C2,H19,,,,,15756,bmse000754,1
16,covalent,SING,C2,H18,,,,,15756,bmse000754,1
17,covalent,SING,C2,H20,,,,,15756,bmse000754,1
18,covalent,SING,C9,C6,,,,,15756,bmse000754,1
19,covalent,SING,C9,C4,,,,,15756,bmse000754,1
20,covalent,SING,C6,H26,,,,,15756,bmse000754,1
21,covalent,DOUB,C8,C10,,,,,15756,bmse000754,1
22,covalent,SING,C8,H28,,,,,15756,bmse000754,1
23,covalent,DOUB,C4,C5,,,,,15756,bmse000754,1
24,covalent,SING,C4,H24,,,,,15756,bmse000754,1
25,covalent,SING,C10,C5,,,,,15756,bmse000754,1
26,covalent,SING,C5,H25,,,,,15756,bmse000754,1
27,covalent,SING,C3,H23,,,,,15756,bmse000754,1
28,covalent,SING,C3,H22,,,,,15756,bmse000754,1
29,covalent,SING,C3,H21,,,,,15756,bmse000754,1
1,covalent,SING,O21,C19,,,,,15777,bmse000755,1
2,covalent,SING,O21,H50,,,,,15777,bmse000755,1
3,covalent,SING,N20,C16,,,,,15777,bmse000755,1
4,covalent,SING,N20,C14,,,,,15777,bmse000755,1
5,covalent,SING,N20,C15,,,,,15777,bmse000755,1
6,covalent,SING,C18,C19,,,,,15777,bmse000755,1
7,covalent,SING,C18,C11,,,,,15777,bmse000755,1
8,covalent,SING,C18,C12,,,,,15777,bmse000755,1
9,covalent,SING,C18,H49,,,,,15777,bmse000755,1
10,covalent,SING,C19,C13,,,,,15777,bmse000755,1
11,covalent,SING,C19,C17,,,,,15777,bmse000755,1
12,covalent,SING,C11,C5,,,,,15777,bmse000755,1
13,covalent,SING,C11,H37,,,,,15777,bmse000755,1
14,covalent,SING,C11,H38,,,,,15777,bmse000755,1
15,covalent,SING,C12,C6,,,,,15777,bmse000755,1
16,covalent,SING,C12,H39,,,,,15777,bmse000755,1
17,covalent,SING,C12,H40,,,,,15777,bmse000755,1
18,covalent,SING,C13,C16,,,,,15777,bmse000755,1
19,covalent,SING,C13,H41,,,,,15777,bmse000755,1
20,covalent,SING,C13,H42,,,,,15777,bmse000755,1
21,covalent,SING,C5,C2,,,,,15777,bmse000755,1
22,covalent,SING,C5,H27,,,,,15777,bmse000755,1
23,covalent,SING,C5,H28,,,,,15777,bmse000755,1
24,covalent,SING,C6,C2,,,,,15777,bmse000755,1
25,covalent,SING,C6,H29,,,,,15777,bmse000755,1
26,covalent,SING,C6,H30,,,,,15777,bmse000755,1
27,covalent,SING,C2,H23,,,,,15777,bmse000755,1
28,covalent,SING,C2,H24,,,,,15777,bmse000755,1
29,covalent,SING,C16,H47,,,,,15777,bmse000755,1
30,covalent,SING,C16,H48,,,,,15777,bmse000755,1
31,covalent,DOUB,C17,C9,,,,,15777,bmse000755,1
32,covalent,SING,C17,C10,,,,,15777,bmse000755,1
33,covalent,SING,C14,C7,,,,,15777,bmse000755,1
34,covalent,SING,C14,H43,,,,,15777,bmse000755,1
35,covalent,SING,C14,H44,,,,,15777,bmse000755,1
36,covalent,SING,C15,C8,,,,,15777,bmse000755,1
37,covalent,SING,C15,H45,,,,,15777,bmse000755,1
38,covalent,SING,C15,H46,,,,,15777,bmse000755,1
39,covalent,SING,C7,C8,,,,,15777,bmse000755,1
40,covalent,SING,C7,H31,,,,,15777,bmse000755,1
41,covalent,SING,C7,H32,,,,,15777,bmse000755,1
42,covalent,SING,C8,H33,,,,,15777,bmse000755,1
43,covalent,SING,C8,H34,,,,,15777,bmse000755,1
44,covalent,SING,C9,C3,,,,,15777,bmse000755,1
45,covalent,SING,C9,H35,,,,,15777,bmse000755,1
46,covalent,DOUB,C10,C4,,,,,15777,bmse000755,1
47,covalent,SING,C10,H36,,,,,15777,bmse000755,1
48,covalent,DOUB,C3,C1,,,,,15777,bmse000755,1
49,covalent,SING,C3,H25,,,,,15777,bmse000755,1
50,covalent,SING,C4,C1,,,,,15777,bmse000755,1
51,covalent,SING,C4,H26,,,,,15777,bmse000755,1
52,covalent,SING,C1,H22,,,,,15777,bmse000755,1
1,covalent,SING,O18,N17,,,,,15797,bmse000756,1
2,covalent,DOUB,O19,N17,,,,,15797,bmse000756,1
3,covalent,SING,N17,C15,,,,,15797,bmse000756,1
4,covalent,DOUB,C16,C13,,,,,15797,bmse000756,1
5,covalent,SING,C16,C12,,,,,15797,bmse000756,1
6,covalent,SING,C16,C14,,,,,15797,bmse000756,1
7,covalent,SING,C13,C11,,,,,15797,bmse000756,1
8,covalent,SING,C13,C8,,,,,15797,bmse000756,1
9,covalent,SING,C12,C10,,,,,15797,bmse000756,1
10,covalent,DOUB,C12,C6,,,,,15797,bmse000756,1
11,covalent,SING,C11,C10,,,,,15797,bmse000756,1
12,covalent,DOUB,C11,C5,,,,,15797,bmse000756,1
13,covalent,DOUB,C10,C4,,,,,15797,bmse000756,1
14,covalent,DOUB,C14,C15,,,,,15797,bmse000756,1
15,covalent,SING,C14,C7,,,,,15797,bmse000756,1
16,covalent,DOUB,C8,C9,,,,,15797,bmse000756,1
17,covalent,SING,C8,H27,,,,,15797,bmse000756,1
18,covalent,SING,C15,C9,,,,,15797,bmse000756,1
19,covalent,SING,C6,C3,,,,,15797,bmse000756,1
20,covalent,SING,C6,H25,,,,,15797,bmse000756,1
21,covalent,DOUB,C7,C3,,,,,15797,bmse000756,1
22,covalent,SING,C7,H26,,,,,15797,bmse000756,1
23,covalent,SING,C5,C2,,,,,15797,bmse000756,1
24,covalent,SING,C5,H24,,,,,15797,bmse000756,1
25,covalent,SING,C4,C1,,,,,15797,bmse000756,1
26,covalent,SING,C4,H23,,,,,15797,bmse000756,1
27,covalent,SING,C9,H28,,,,,15797,bmse000756,1
28,covalent,SING,C3,H22,,,,,15797,bmse000756,1
29,covalent,DOUB,C2,C1,,,,,15797,bmse000756,1
30,covalent,SING,C2,H21,,,,,15797,bmse000756,1
31,covalent,SING,C1,H20,,,,,15797,bmse000756,1
1,covalent,SING,O13,C8,,,,,15817,bmse000757,1
2,covalent,SING,O13,H25,,,,,15817,bmse000757,1
3,covalent,SING,N12,C10,,,,,15817,bmse000757,1
4,covalent,SING,N12,C6,,,,,15817,bmse000757,1
5,covalent,SING,N12,H24,,,,,15817,bmse000757,1
6,covalent,SING,N11,C4,,,,,15817,bmse000757,1
7,covalent,SING,N11,H22,,,,,15817,bmse000757,1
8,covalent,SING,N11,H23,,,,,15817,bmse000757,1
9,covalent,SING,C7,C9,,,,,15817,bmse000757,1
10,covalent,SING,C7,C3,,,,,15817,bmse000757,1
11,covalent,DOUB,C7,C6,,,,,15817,bmse000757,1
12,covalent,DOUB,C9,C10,,,,,15817,bmse000757,1
13,covalent,SING,C9,C5,,,,,15817,bmse000757,1
14,covalent,SING,C3,C4,,,,,15817,bmse000757,1
15,covalent,SING,C3,H16,,,,,15817,bmse000757,1
16,covalent,SING,C3,H17,,,,,15817,bmse000757,1
17,covalent,SING,C10,C2,,,,,15817,bmse000757,1
18,covalent,SING,C6,H21,,,,,15817,bmse000757,1
19,covalent,SING,C4,H18,,,,,15817,bmse000757,1
20,covalent,SING,C4,H19,,,,,15817,bmse000757,1
21,covalent,DOUB,C5,C8,,,,,15817,bmse000757,1
22,covalent,SING,C5,H20,,,,,15817,bmse000757,1
23,covalent,DOUB,C2,C1,,,,,15817,bmse000757,1
24,covalent,SING,C2,H15,,,,,15817,bmse000757,1
25,covalent,SING,C8,C1,,,,,15817,bmse000757,1
26,covalent,SING,C1,H14,,,,,15817,bmse000757,1
1,covalent,SING,O15,C9,,,,,15838,bmse000758,1
2,covalent,SING,O15,C5,,,,,15838,bmse000758,1
3,covalent,SING,O16,C10,,,,,15838,bmse000758,1
4,covalent,SING,O16,C11,,,,,15838,bmse000758,1
5,covalent,SING,O14,C12,,,,,15838,bmse000758,1
6,covalent,SING,O14,C1,,,,,15838,bmse000758,1
7,covalent,DOUB,O13,C11,,,,,15838,bmse000758,1
8,covalent,SING,C8,C12,,,,,15838,bmse000758,1
9,covalent,DOUB,C8,C9,,,,,15838,bmse000758,1
10,covalent,SING,C8,C4,,,,,15838,bmse000758,1
11,covalent,DOUB,C7,C12,,,,,15838,bmse000758,1
12,covalent,SING,C7,C10,,,,,15838,bmse000758,1
13,covalent,SING,C7,C2,,,,,15838,bmse000758,1
14,covalent,SING,C9,C6,,,,,15838,bmse000758,1
15,covalent,DOUB,C10,C6,,,,,15838,bmse000758,1
16,covalent,SING,C6,H24,,,,,15838,bmse000758,1
17,covalent,DOUB,C4,C5,,,,,15838,bmse000758,1
18,covalent,SING,C4,H22,,,,,15838,bmse000758,1
19,covalent,DOUB,C2,C3,,,,,15838,bmse000758,1
20,covalent,SING,C2,H20,,,,,15838,bmse000758,1
21,covalent,SING,C5,H23,,,,,15838,bmse000758,1
22,covalent,SING,C3,C11,,,,,15838,bmse000758,1
23,covalent,SING,C3,H21,,,,,15838,bmse000758,1
24,covalent,SING,C1,H19,,,,,15838,bmse000758,1
25,covalent,SING,C1,H17,,,,,15838,bmse000758,1
26,covalent,SING,C1,H18,,,,,15838,bmse000758,1
1,covalent,SING,O18,C9,,,,,15859,bmse000759,1
2,covalent,SING,O18,C5,,,,,15859,bmse000759,1
3,covalent,SING,C7,O15,,,,,15859,bmse000759,1
4,covalent,SING,O15,H32,,,,,15859,bmse000759,1
5,covalent,SING,C6,O14,,,,,15859,bmse000759,1
6,covalent,SING,O14,H31,,,,,15859,bmse000759,1
7,covalent,SING,O13,C3,,,,,15859,bmse000759,1
8,covalent,SING,O13,H30,,,,,15859,bmse000759,1
9,covalent,DOUB,O17,C10,,,,,15859,bmse000759,1
10,covalent,DOUB,O16,C8,,,,,15859,bmse000759,1
11,covalent,SING,C9,N12,,,,,15859,bmse000759,1
12,covalent,SING,N12,C2,,,,,15859,bmse000759,1
13,covalent,SING,N12,C10,,,,,15859,bmse000759,1
14,covalent,SING,N11,C10,,,,,15859,bmse000759,1
15,covalent,SING,N11,C8,,,,,15859,bmse000759,1
16,covalent,SING,N11,H29,,,,,15859,bmse000759,1
17,covalent,SING,C7,C6,,,,,15859,bmse000759,1
18,covalent,SING,C7,C9,,,,,15859,bmse000759,1
19,covalent,SING,C7,H27,,,,,15859,bmse000759,1
20,covalent,SING,C6,C5,,,,,15859,bmse000759,1
21,covalent,SING,C6,H26,,,,,15859,bmse000759,1
22,covalent,SING,C9,H28,,,,,15859,bmse000759,1
23,covalent,SING,C5,C3,,,,,15859,bmse000759,1
24,covalent,SING,C5,H25,,,,,15859,bmse000759,1
25,covalent,SING,C3,H23,,,,,15859,bmse000759,1
26,covalent,SING,C3,H24,,,,,15859,bmse000759,1
27,covalent,DOUB,C2,C4,,,,,15859,bmse000759,1
28,covalent,SING,C2,H22,,,,,15859,bmse000759,1
29,covalent,SING,C4,C8,,,,,15859,bmse000759,1
30,covalent,SING,C4,C1,,,,,15859,bmse000759,1
31,covalent,SING,C1,H21,,,,,15859,bmse000759,1
32,covalent,SING,C1,H20,,,,,15859,bmse000759,1
33,covalent,SING,C1,H19,,,,,15859,bmse000759,1
1,covalent,SING,O12,C6,,,,,15878,bmse000760,1
2,covalent,SING,O12,H29,,,,,15878,bmse000760,1
3,covalent,DOUB,O13,C6,,,,,15878,bmse000760,1
4,covalent,SING,C5,N8,,,,,15878,bmse000760,1
5,covalent,SING,N8,H23,,,,,15878,bmse000760,1
6,covalent,SING,N8,H24,,,,,15878,bmse000760,1
7,covalent,SING,N11,C4,,,,,15878,bmse000760,1
8,covalent,DOUB,N11,C7,,,,,15878,bmse000760,1
9,covalent,SING,N9,C7,,,,,15878,bmse000760,1
10,covalent,SING,N9,H25,,,,,15878,bmse000760,1
11,covalent,SING,N9,H26,,,,,15878,bmse000760,1
12,covalent,SING,N10,C7,,,,,15878,bmse000760,1
13,covalent,SING,N10,H27,,,,,15878,bmse000760,1
14,covalent,SING,N10,H28,,,,,15878,bmse000760,1
15,covalent,SING,C1,C3,,,,,15878,bmse000760,1
16,covalent,SING,C1,C2,,,,,15878,bmse000760,1
17,covalent,SING,C1,H14,,,,,15878,bmse000760,1
18,covalent,SING,C1,H15,,,,,15878,bmse000760,1
19,covalent,SING,C3,C5,,,,,15878,bmse000760,1
20,covalent,SING,C3,H18,,,,,15878,bmse000760,1
21,covalent,SING,C3,H19,,,,,15878,bmse000760,1
22,covalent,SING,C2,C4,,,,,15878,bmse000760,1
23,covalent,SING,C2,H16,,,,,15878,bmse000760,1
24,covalent,SING,C2,H17,,,,,15878,bmse000760,1
25,covalent,SING,C5,C6,,,,,15878,bmse000760,1
26,covalent,SING,C5,H22,,,,,15878,bmse000760,1
27,covalent,SING,C4,H20,,,,,15878,bmse000760,1
28,covalent,SING,C4,H21,,,,,15878,bmse000760,1
1,covalent,SING,O8,C5,,,,,15890,bmse000761,1
2,covalent,SING,O8,H15,,,,,15890,bmse000761,1
3,covalent,SING,O6,C4,,,,,15890,bmse000761,1
4,covalent,SING,O6,H14,,,,,15890,bmse000761,1
5,covalent,DOUB,O9,C5,,,,,15890,bmse000761,1
6,covalent,DOUB,O7,C4,,,,,15890,bmse000761,1
7,covalent,SING,C3,C1,,,,,15890,bmse000761,1
8,covalent,DOUB,C3,C2,,,,,15890,bmse000761,1
9,covalent,SING,C3,C5,,,,,15890,bmse000761,1
10,covalent,SING,C1,H10,,,,,15890,bmse000761,1
11,covalent,SING,C1,H11,,,,,15890,bmse000761,1
12,covalent,SING,C1,H12,,,,,15890,bmse000761,1
13,covalent,SING,C2,C4,,,,,15890,bmse000761,1
14,covalent,SING,C2,H13,,,,,15890,bmse000761,1
1,covalent,SING,O1,C11,,,,,15903,bmse000762,1
2,covalent,SING,O1,C14,,,,,15903,bmse000762,1
3,covalent,DOUB,O2,C14,,,,,15903,bmse000762,1
4,covalent,SING,N3,C5,,,,,15903,bmse000762,1
5,covalent,SING,N3,C6,,,,,15903,bmse000762,1
6,covalent,SING,N3,C7,,,,,15903,bmse000762,1
7,covalent,SING,N3,C8,,,,,15903,bmse000762,1
8,covalent,SING,N4,C14,,,,,15903,bmse000762,1
9,covalent,SING,N4,C15,,,,,15903,bmse000762,1
10,covalent,SING,N4,C16,,,,,15903,bmse000762,1
11,covalent,DOUB,C5,C9,,,,,15903,bmse000762,1
12,covalent,SING,C5,C10,,,,,15903,bmse000762,1
13,covalent,SING,C6,H17,,,,,15903,bmse000762,1
14,covalent,SING,C6,H18,,,,,15903,bmse000762,1
15,covalent,SING,C6,H19,,,,,15903,bmse000762,1
16,covalent,SING,C7,H20,,,,,15903,bmse000762,1
17,covalent,SING,C7,H21,,,,,15903,bmse000762,1
18,covalent,SING,C7,H22,,,,,15903,bmse000762,1
19,covalent,SING,C8,H23,,,,,15903,bmse000762,1
20,covalent,SING,C8,H24,,,,,15903,bmse000762,1
21,covalent,SING,C8,H25,,,,,15903,bmse000762,1
22,covalent,SING,C9,C11,,,,,15903,bmse000762,1
23,covalent,SING,C9,H26,,,,,15903,bmse000762,1
24,covalent,DOUB,C10,C12,,,,,15903,bmse000762,1
25,covalent,SING,C10,H27,,,,,15903,bmse000762,1
26,covalent,DOUB,C11,C13,,,,,15903,bmse000762,1
27,covalent,SING,C12,C13,,,,,15903,bmse000762,1
28,covalent,SING,C12,H28,,,,,15903,bmse000762,1
29,covalent,SING,C13,H29,,,,,15903,bmse000762,1
30,covalent,SING,C15,H30,,,,,15903,bmse000762,1
31,covalent,SING,C15,H31,,,,,15903,bmse000762,1
32,covalent,SING,C15,H32,,,,,15903,bmse000762,1
33,covalent,SING,C16,H33,,,,,15903,bmse000762,1
34,covalent,SING,C16,H34,,,,,15903,bmse000762,1
35,covalent,SING,C16,H35,,,,,15903,bmse000762,1
1,covalent,SING,O52,C35,,,,,15924,bmse000763,1
2,covalent,SING,O52,C32,,,,,15924,bmse000763,1
3,covalent,SING,O50,C33,,,,,15924,bmse000763,1
4,covalent,SING,O50,C30,,,,,15924,bmse000763,1
5,covalent,SING,O51,C36,,,,,15924,bmse000763,1
6,covalent,SING,O51,C31,,,,,15924,bmse000763,1
7,covalent,SING,O49,C34,,,,,15924,bmse000763,1
8,covalent,SING,O49,C29,,,,,15924,bmse000763,1
9,covalent,SING,O47,C22,,,,,15924,bmse000763,1
10,covalent,SING,O47,C39,,,,,15924,bmse000763,1
11,covalent,SING,O48,C24,,,,,15924,bmse000763,1
12,covalent,SING,O48,C40,,,,,15924,bmse000763,1
13,covalent,SING,O45,C21,,,,,15924,bmse000763,1
14,covalent,SING,O45,C37,,,,,15924,bmse000763,1
15,covalent,SING,O46,C23,,,,,15924,bmse000763,1
16,covalent,SING,O46,C38,,,,,15924,bmse000763,1
17,covalent,DOUB,O43,C39,,,,,15924,bmse000763,1
18,covalent,DOUB,O41,C37,,,,,15924,bmse000763,1
19,covalent,DOUB,O44,C40,,,,,15924,bmse000763,1
20,covalent,DOUB,O42,C38,,,,,15924,bmse000763,1
21,covalent,SING,C35,C16,,,,,15924,bmse000763,1
22,covalent,SING,C35,C27,,,,,15924,bmse000763,1
23,covalent,SING,C35,H115,,,,,15924,bmse000763,1
24,covalent,SING,C33,C14,,,,,15924,bmse000763,1
25,covalent,SING,C33,C25,,,,,15924,bmse000763,1
26,covalent,SING,C33,H113,,,,,15924,bmse000763,1
27,covalent,SING,C36,C15,,,,,15924,bmse000763,1
28,covalent,SING,C36,C28,,,,,15924,bmse000763,1
29,covalent,SING,C36,H116,,,,,15924,bmse000763,1
30,covalent,SING,C34,C13,,,,,15924,bmse000763,1
31,covalent,SING,C34,C26,,,,,15924,bmse000763,1
32,covalent,SING,C34,H114,,,,,15924,bmse000763,1
33,covalent,SING,C32,C12,,,,,15924,bmse000763,1
34,covalent,SING,C32,C20,,,,,15924,bmse000763,1
35,covalent,SING,C32,H112,,,,,15924,bmse000763,1
36,covalent,SING,C30,C10,,,,,15924,bmse000763,1
37,covalent,SING,C30,C18,,,,,15924,bmse000763,1
38,covalent,SING,C30,H110,,,,,15924,bmse000763,1
39,covalent,SING,C31,C11,,,,,15924,bmse000763,1
40,covalent,SING,C31,C19,,,,,15924,bmse000763,1
41,covalent,SING,C31,H111,,,,,15924,bmse000763,1
42,covalent,SING,C29,C9,,,,,15924,bmse000763,1
43,covalent,SING,C29,C17,,,,,15924,bmse000763,1
44,covalent,SING,C29,H109,,,,,15924,bmse000763,1
45,covalent,SING,C16,C12,,,,,15924,bmse000763,1
46,covalent,SING,C16,H91,,,,,15924,bmse000763,1
47,covalent,SING,C16,H92,,,,,15924,bmse000763,1
48,covalent,SING,C14,C10,,,,,15924,bmse000763,1
49,covalent,SING,C14,H87,,,,,15924,bmse000763,1
50,covalent,SING,C14,H88,,,,,15924,bmse000763,1
51,covalent,SING,C15,C11,,,,,15924,bmse000763,1
52,covalent,SING,C15,H89,,,,,15924,bmse000763,1
53,covalent,SING,C15,H90,,,,,15924,bmse000763,1
54,covalent,SING,C13,C9,,,,,15924,bmse000763,1
55,covalent,SING,C13,H85,,,,,15924,bmse000763,1
56,covalent,SING,C13,H86,,,,,15924,bmse000763,1
57,covalent,SING,C12,H83,,,,,15924,bmse000763,1
58,covalent,SING,C12,H84,,,,,15924,bmse000763,1
59,covalent,SING,C10,H79,,,,,15924,bmse000763,1
60,covalent,SING,C10,H80,,,,,15924,bmse000763,1
61,covalent,SING,C11,H81,,,,,15924,bmse000763,1
62,covalent,SING,C11,H82,,,,,15924,bmse000763,1
63,covalent,SING,C9,H77,,,,,15924,bmse000763,1
64,covalent,SING,C9,H78,,,,,15924,bmse000763,1
65,covalent,SING,C27,C39,,,,,15924,bmse000763,1
66,covalent,SING,C27,C7,,,,,15924,bmse000763,1
67,covalent,SING,C27,H107,,,,,15924,bmse000763,1
68,covalent,SING,C25,C37,,,,,15924,bmse000763,1
69,covalent,SING,C25,C5,,,,,15924,bmse000763,1
70,covalent,SING,C25,H105,,,,,15924,bmse000763,1
71,covalent,SING,C28,C40,,,,,15924,bmse000763,1
72,covalent,SING,C28,C8,,,,,15924,bmse000763,1
73,covalent,SING,C28,H108,,,,,15924,bmse000763,1
74,covalent,SING,C26,C38,,,,,15924,bmse000763,1
75,covalent,SING,C26,C6,,,,,15924,bmse000763,1
76,covalent,SING,C26,H106,,,,,15924,bmse000763,1
77,covalent,SING,C20,C24,,,,,15924,bmse000763,1
78,covalent,SING,C20,H99,,,,,15924,bmse000763,1
79,covalent,SING,C20,H100,,,,,15924,bmse000763,1
80,covalent,SING,C18,C22,,,,,15924,bmse000763,1
81,covalent,SING,C18,H95,,,,,15924,bmse000763,1
82,covalent,SING,C18,H96,,,,,15924,bmse000763,1
83,covalent,SING,C19,C23,,,,,15924,bmse000763,1
84,covalent,SING,C19,H97,,,,,15924,bmse000763,1
85,covalent,SING,C19,H98,,,,,15924,bmse000763,1
86,covalent,SING,C17,C21,,,,,15924,bmse000763,1
87,covalent,SING,C17,H93,,,,,15924,bmse000763,1
88,covalent,SING,C17,H94,,,,,15924,bmse000763,1
89,covalent,SING,C22,C2,,,,,15924,bmse000763,1
90,covalent,SING,C22,H102,,,,,15924,bmse000763,1
91,covalent,SING,C24,C4,,,,,15924,bmse000763,1
92,covalent,SING,C24,H104,,,,,15924,bmse000763,1
93,covalent,SING,C23,C3,,,,,15924,bmse000763,1
94,covalent,SING,C23,H103,,,,,15924,bmse000763,1
95,covalent,SING,C21,C1,,,,,15924,bmse000763,1
96,covalent,SING,C21,H101,,,,,15924,bmse000763,1
97,covalent,SING,C7,H71,,,,,15924,bmse000763,1
98,covalent,SING,C7,H72,,,,,15924,bmse000763,1
99,covalent,SING,C7,H73,,,,,15924,bmse000763,1
100,covalent,SING,C5,H65,,,,,15924,bmse000763,1
101,covalent,SING,C5,H66,,,,,15924,bmse000763,1
102,covalent,SING,C5,H67,,,,,15924,bmse000763,1
103,covalent,SING,C8,H76,,,,,15924,bmse000763,1
104,covalent,SING,C8,H75,,,,,15924,bmse000763,1
105,covalent,SING,C8,H74,,,,,15924,bmse000763,1
106,covalent,SING,C6,H68,,,,,15924,bmse000763,1
107,covalent,SING,C6,H69,,,,,15924,bmse000763,1
108,covalent,SING,C6,H70,,,,,15924,bmse000763,1
109,covalent,SING,C2,H57,,,,,15924,bmse000763,1
110,covalent,SING,C2,H58,,,,,15924,bmse000763,1
111,covalent,SING,C2,H56,,,,,15924,bmse000763,1
112,covalent,SING,C4,H63,,,,,15924,bmse000763,1
113,covalent,SING,C4,H64,,,,,15924,bmse000763,1
114,covalent,SING,C4,H62,,,,,15924,bmse000763,1
115,covalent,SING,C3,H60,,,,,15924,bmse000763,1
116,covalent,SING,C3,H59,,,,,15924,bmse000763,1
117,covalent,SING,C3,H61,,,,,15924,bmse000763,1
118,covalent,SING,C1,H55,,,,,15924,bmse000763,1
119,covalent,SING,C1,H54,,,,,15924,bmse000763,1
120,covalent,SING,C1,H53,,,,,15924,bmse000763,1
1,covalent,SING,C19,C17,,,,,15945,bmse000764,1
2,covalent,SING,C19,C18,,,,,15945,bmse000764,1
3,covalent,SING,C19,H58,,,,,15945,bmse000764,1
4,covalent,SING,C19,H59,,,,,15945,bmse000764,1
5,covalent,SING,C17,C15,,,,,15945,bmse000764,1
6,covalent,SING,C17,H54,,,,,15945,bmse000764,1
7,covalent,SING,C17,H55,,,,,15945,bmse000764,1
8,covalent,SING,C18,C16,,,,,15945,bmse000764,1
9,covalent,SING,C18,H56,,,,,15945,bmse000764,1
10,covalent,SING,C18,H57,,,,,15945,bmse000764,1
11,covalent,SING,C15,C13,,,,,15945,bmse000764,1
12,covalent,SING,C15,H50,,,,,15945,bmse000764,1
13,covalent,SING,C15,H51,,,,,15945,bmse000764,1
14,covalent,SING,C16,C14,,,,,15945,bmse000764,1
15,covalent,SING,C16,H52,,,,,15945,bmse000764,1
16,covalent,SING,C16,H53,,,,,15945,bmse000764,1
17,covalent,SING,C13,C11,,,,,15945,bmse000764,1
18,covalent,SING,C13,H46,,,,,15945,bmse000764,1
19,covalent,SING,C13,H47,,,,,15945,bmse000764,1
20,covalent,SING,C14,C12,,,,,15945,bmse000764,1
21,covalent,SING,C14,H48,,,,,15945,bmse000764,1
22,covalent,SING,C14,H49,,,,,15945,bmse000764,1
23,covalent,SING,C11,C9,,,,,15945,bmse000764,1
24,covalent,SING,C11,H42,,,,,15945,bmse000764,1
25,covalent,SING,C11,H43,,,,,15945,bmse000764,1
26,covalent,SING,C12,C10,,,,,15945,bmse000764,1
27,covalent,SING,C12,H44,,,,,15945,bmse000764,1
28,covalent,SING,C12,H45,,,,,15945,bmse000764,1
29,covalent,SING,C9,C7,,,,,15945,bmse000764,1
30,covalent,SING,C9,H38,,,,,15945,bmse000764,1
31,covalent,SING,C9,H39,,,,,15945,bmse000764,1
32,covalent,SING,C10,C8,,,,,15945,bmse000764,1
33,covalent,SING,C10,H40,,,,,15945,bmse000764,1
34,covalent,SING,C10,H41,,,,,15945,bmse000764,1
35,covalent,SING,C7,C5,,,,,15945,bmse000764,1
36,covalent,SING,C7,H34,,,,,15945,bmse000764,1
37,covalent,SING,C7,H35,,,,,15945,bmse000764,1
38,covalent,SING,C8,C6,,,,,15945,bmse000764,1
39,covalent,SING,C8,H36,,,,,15945,bmse000764,1
40,covalent,SING,C8,H37,,,,,15945,bmse000764,1
41,covalent,SING,C5,C3,,,,,15945,bmse000764,1
42,covalent,SING,C5,H30,,,,,15945,bmse000764,1
43,covalent,SING,C5,H31,,,,,15945,bmse000764,1
44,covalent,SING,C6,C4,,,,,15945,bmse000764,1
45,covalent,SING,C6,H32,,,,,15945,bmse000764,1
46,covalent,SING,C6,H33,,,,,15945,bmse000764,1
47,covalent,SING,C3,C1,,,,,15945,bmse000764,1
48,covalent,SING,C3,H26,,,,,15945,bmse000764,1
49,covalent,SING,C3,H27,,,,,15945,bmse000764,1
50,covalent,SING,C4,C2,,,,,15945,bmse000764,1
51,covalent,SING,C4,H28,,,,,15945,bmse000764,1
52,covalent,SING,C4,H29,,,,,15945,bmse000764,1
53,covalent,SING,C1,H22,,,,,15945,bmse000764,1
54,covalent,SING,C1,H20,,,,,15945,bmse000764,1
55,covalent,SING,C1,H21,,,,,15945,bmse000764,1
56,covalent,SING,C2,H23,,,,,15945,bmse000764,1
57,covalent,SING,C2,H24,,,,,15945,bmse000764,1
58,covalent,SING,C2,H25,,,,,15945,bmse000764,1
1,covalent,SING,Si13,O9,,,,,15964,bmse000765,1
2,covalent,SING,Si13,O10,,,,,15964,bmse000765,1
3,covalent,SING,Si13,C1,,,,,15964,bmse000765,1
4,covalent,SING,Si13,C2,,,,,15964,bmse000765,1
5,covalent,SING,Si14,O9,,,,,15964,bmse000765,1
6,covalent,SING,Si14,O11,,,,,15964,bmse000765,1
7,covalent,SING,Si14,C3,,,,,15964,bmse000765,1
8,covalent,SING,Si14,C4,,,,,15964,bmse000765,1
9,covalent,SING,Si15,O10,,,,,15964,bmse000765,1
10,covalent,SING,Si15,O12,,,,,15964,bmse000765,1
11,covalent,SING,Si15,C5,,,,,15964,bmse000765,1
12,covalent,SING,Si15,C6,,,,,15964,bmse000765,1
13,covalent,SING,Si16,O11,,,,,15964,bmse000765,1
14,covalent,SING,Si16,O12,,,,,15964,bmse000765,1
15,covalent,SING,Si16,C7,,,,,15964,bmse000765,1
16,covalent,SING,Si16,C8,,,,,15964,bmse000765,1
17,covalent,SING,C1,H18,,,,,15964,bmse000765,1
18,covalent,SING,C1,H19,,,,,15964,bmse000765,1
19,covalent,SING,C1,H17,,,,,15964,bmse000765,1
20,covalent,SING,C2,H21,,,,,15964,bmse000765,1
21,covalent,SING,C2,H20,,,,,15964,bmse000765,1
22,covalent,SING,C2,H22,,,,,15964,bmse000765,1
23,covalent,SING,C3,H24,,,,,15964,bmse000765,1
24,covalent,SING,C3,H23,,,,,15964,bmse000765,1
25,covalent,SING,C3,H25,,,,,15964,bmse000765,1
26,covalent,SING,C4,H28,,,,,15964,bmse000765,1
27,covalent,SING,C4,H27,,,,,15964,bmse000765,1
28,covalent,SING,C4,H26,,,,,15964,bmse000765,1
29,covalent,SING,C5,H30,,,,,15964,bmse000765,1
30,covalent,SING,C5,H31,,,,,15964,bmse000765,1
31,covalent,SING,C5,H29,,,,,15964,bmse000765,1
32,covalent,SING,C6,H32,,,,,15964,bmse000765,1
33,covalent,SING,C6,H34,,,,,15964,bmse000765,1
34,covalent,SING,C6,H33,,,,,15964,bmse000765,1
35,covalent,SING,C7,H36,,,,,15964,bmse000765,1
36,covalent,SING,C7,H35,,,,,15964,bmse000765,1
37,covalent,SING,C7,H37,,,,,15964,bmse000765,1
38,covalent,SING,C8,H39,,,,,15964,bmse000765,1
39,covalent,SING,C8,H38,,,,,15964,bmse000765,1
40,covalent,SING,C8,H40,,,,,15964,bmse000765,1
1,covalent,SING,S11,O8,,,,,15983,bmse000766,1
2,covalent,DOUB,S11,O9,,,,,15983,bmse000766,1
3,covalent,DOUB,S11,O10,,,,,15983,bmse000766,1
4,covalent,SING,S11,C6,,,,,15983,bmse000766,1
5,covalent,SING,O8,H18,,,,,15983,bmse000766,1
6,covalent,SING,N7,C5,,,,,15983,bmse000766,1
7,covalent,SING,N7,H16,,,,,15983,bmse000766,1
8,covalent,SING,N7,H17,,,,,15983,bmse000766,1
9,covalent,SING,C6,C5,,,,,15983,bmse000766,1
10,covalent,DOUB,C6,C4,,,,,15983,bmse000766,1
11,covalent,DOUB,C5,C3,,,,,15983,bmse000766,1
12,covalent,SING,C4,C2,,,,,15983,bmse000766,1
13,covalent,SING,C4,H15,,,,,15983,bmse000766,1
14,covalent,SING,C3,C1,,,,,15983,bmse000766,1
15,covalent,SING,C3,H14,,,,,15983,bmse000766,1
16,covalent,DOUB,C2,C1,,,,,15983,bmse000766,1
17,covalent,SING,C2,H13,,,,,15983,bmse000766,1
18,covalent,SING,C1,H12,,,,,15983,bmse000766,1
1,covalent,SING,O4,C3,,,,,16001,bmse000767,1
2,covalent,SING,O4,H7,,,,,16001,bmse000767,1
3,covalent,DOUB,O5,C3,,,,,16001,bmse000767,1
4,covalent,SING,C3,C2,,,,,16001,bmse000767,1
5,covalent,TRIP,C2,C1,,,,,16001,bmse000767,1
6,covalent,SING,C1,H6,,,,,16001,bmse000767,1
1,covalent,SING,O9,C7,,,,,16014,bmse000768,1
2,covalent,SING,O9,H17,,,,,16014,bmse000768,1
3,covalent,SING,O8,C5,,,,,16014,bmse000768,1
4,covalent,SING,O8,H16,,,,,16014,bmse000768,1
5,covalent,SING,C6,C7,,,,,16014,bmse000768,1
6,covalent,SING,C6,C5,,,,,16014,bmse000768,1
7,covalent,DOUB,C6,C3,,,,,16014,bmse000768,1
8,covalent,DOUB,C7,C4,,,,,16014,bmse000768,1
9,covalent,SING,C5,H14,,,,,16014,bmse000768,1
10,covalent,SING,C5,H15,,,,,16014,bmse000768,1
11,covalent,SING,C3,C1,,,,,16014,bmse000768,1
12,covalent,SING,C3,H12,,,,,16014,bmse000768,1
13,covalent,SING,C4,C2,,,,,16014,bmse000768,1
14,covalent,SING,C4,H13,,,,,16014,bmse000768,1
15,covalent,DOUB,C1,C2,,,,,16014,bmse000768,1
16,covalent,SING,C1,H10,,,,,16014,bmse000768,1
17,covalent,SING,C2,H11,,,,,16014,bmse000768,1
1,covalent,SING,S12,S11,,,,,16035,bmse000769,1
2,covalent,SING,S12,C7,,,,,16035,bmse000769,1
3,covalent,SING,S11,C6,,,,,16035,bmse000769,1
4,covalent,DOUB,O10,C8,,,,,16035,bmse000769,1
5,covalent,SING,N9,C8,,,,,16035,bmse000769,1
6,covalent,SING,N9,H26,,,,,16035,bmse000769,1
7,covalent,SING,N9,H27,,,,,16035,bmse000769,1
8,covalent,SING,C7,C3,,,,,16035,bmse000769,1
9,covalent,SING,C7,C5,,,,,16035,bmse000769,1
10,covalent,SING,C7,H25,,,,,16035,bmse000769,1
11,covalent,SING,C3,C1,,,,,16035,bmse000769,1
12,covalent,SING,C3,H17,,,,,16035,bmse000769,1
13,covalent,SING,C3,H18,,,,,16035,bmse000769,1
14,covalent,SING,C5,C6,,,,,16035,bmse000769,1
15,covalent,SING,C5,H21,,,,,16035,bmse000769,1
16,covalent,SING,C5,H22,,,,,16035,bmse000769,1
17,covalent,SING,C1,C2,,,,,16035,bmse000769,1
18,covalent,SING,C1,H13,,,,,16035,bmse000769,1
19,covalent,SING,C1,H14,,,,,16035,bmse000769,1
20,covalent,SING,C2,C4,,,,,16035,bmse000769,1
21,covalent,SING,C2,H15,,,,,16035,bmse000769,1
22,covalent,SING,C2,H16,,,,,16035,bmse000769,1
23,covalent,SING,C6,H23,,,,,16035,bmse000769,1
24,covalent,SING,C6,H24,,,,,16035,bmse000769,1
25,covalent,SING,C4,C8,,,,,16035,bmse000769,1
26,covalent,SING,C4,H19,,,,,16035,bmse000769,1
27,covalent,SING,C4,H20,,,,,16035,bmse000769,1
1,covalent,SING,O18,C8,,,,,16054,bmse000770,1
2,covalent,SING,O18,C12,,,,,16054,bmse000770,1
3,covalent,SING,C10,O15,,,,,16054,bmse000770,1
4,covalent,SING,O15,H33,,,,,16054,bmse000770,1
5,covalent,SING,C9,O14,,,,,16054,bmse000770,1
6,covalent,SING,O14,H32,,,,,16054,bmse000770,1
7,covalent,SING,C12,O17,,,,,16054,bmse000770,1
8,covalent,SING,O17,C7,,,,,16054,bmse000770,1
9,covalent,SING,C11,O16,,,,,16054,bmse000770,1
10,covalent,SING,O16,H34,,,,,16054,bmse000770,1
11,covalent,SING,O13,C6,,,,,16054,bmse000770,1
12,covalent,SING,O13,H31,,,,,16054,bmse000770,1
13,covalent,SING,C10,C9,,,,,16054,bmse000770,1
14,covalent,SING,C10,C11,,,,,16054,bmse000770,1
15,covalent,SING,C10,H28,,,,,16054,bmse000770,1
16,covalent,SING,C9,C8,,,,,16054,bmse000770,1
17,covalent,SING,C9,H27,,,,,16054,bmse000770,1
18,covalent,SING,C11,C12,,,,,16054,bmse000770,1
19,covalent,SING,C11,H29,,,,,16054,bmse000770,1
20,covalent,SING,C8,C6,,,,,16054,bmse000770,1
21,covalent,SING,C8,H26,,,,,16054,bmse000770,1
22,covalent,SING,C12,H30,,,,,16054,bmse000770,1
23,covalent,SING,C6,H24,,,,,16054,bmse000770,1
24,covalent,SING,C6,H25,,,,,16054,bmse000770,1
25,covalent,DOUB,C7,C4,,,,,16054,bmse000770,1
26,covalent,SING,C7,C5,,,,,16054,bmse000770,1
27,covalent,SING,C4,C2,,,,,16054,bmse000770,1
28,covalent,SING,C4,H22,,,,,16054,bmse000770,1
29,covalent,DOUB,C5,C3,,,,,16054,bmse000770,1
30,covalent,SING,C5,H23,,,,,16054,bmse000770,1
31,covalent,DOUB,C2,C1,,,,,16054,bmse000770,1
32,covalent,SING,C2,H20,,,,,16054,bmse000770,1
33,covalent,SING,C3,C1,,,,,16054,bmse000770,1
34,covalent,SING,C3,H21,,,,,16054,bmse000770,1
35,covalent,SING,C1,H19,,,,,16054,bmse000770,1
1,covalent,SING,O11,C7,,,,,16073,bmse000771,1
2,covalent,SING,O11,H21,,,,,16073,bmse000771,1
3,covalent,SING,O15,C9,,,,,16073,bmse000771,1
4,covalent,SING,O15,H23,,,,,16073,bmse000771,1
5,covalent,SING,O13,C8,,,,,16073,bmse000771,1
6,covalent,SING,O13,H22,,,,,16073,bmse000771,1
7,covalent,SING,O17,C10,,,,,16073,bmse000771,1
8,covalent,SING,O17,H24,,,,,16073,bmse000771,1
9,covalent,DOUB,O12,C7,,,,,16073,bmse000771,1
10,covalent,DOUB,O16,C9,,,,,16073,bmse000771,1
11,covalent,DOUB,O14,C8,,,,,16073,bmse000771,1
12,covalent,DOUB,O18,C10,,,,,16073,bmse000771,1
13,covalent,DOUB,C3,C5,,,,,16073,bmse000771,1
14,covalent,SING,C3,C1,,,,,16073,bmse000771,1
15,covalent,SING,C3,C7,,,,,16073,bmse000771,1
16,covalent,SING,C5,C2,,,,,16073,bmse000771,1
17,covalent,SING,C5,C9,,,,,16073,bmse000771,1
18,covalent,SING,C4,C6,,,,,16073,bmse000771,1
19,covalent,DOUB,C4,C1,,,,,16073,bmse000771,1
20,covalent,SING,C4,C8,,,,,16073,bmse000771,1
21,covalent,DOUB,C6,C2,,,,,16073,bmse000771,1
22,covalent,SING,C6,C10,,,,,16073,bmse000771,1
23,covalent,SING,C1,H19,,,,,16073,bmse000771,1
24,covalent,SING,C2,H20,,,,,16073,bmse000771,1
1,covalent,SING,O9,C6,,,,,16092,bmse000772,1
2,covalent,SING,O9,H17,,,,,16092,bmse000772,1
3,covalent,DOUB,O10,C7,,,,,16092,bmse000772,1
4,covalent,SING,O11,N8,,,,,16092,bmse000772,1
5,covalent,SING,O11,H18,,,,,16092,bmse000772,1
6,covalent,SING,N8,C7,,,,,16092,bmse000772,1
7,covalent,SING,N8,H16,,,,,16092,bmse000772,1
8,covalent,SING,C5,C6,,,,,16092,bmse000772,1
9,covalent,DOUB,C5,C3,,,,,16092,bmse000772,1
10,covalent,SING,C5,C7,,,,,16092,bmse000772,1
11,covalent,DOUB,C6,C4,,,,,16092,bmse000772,1
12,covalent,SING,C3,C1,,,,,16092,bmse000772,1
13,covalent,SING,C3,H14,,,,,16092,bmse000772,1
14,covalent,SING,C4,C2,,,,,16092,bmse000772,1
15,covalent,SING,C4,H15,,,,,16092,bmse000772,1
16,covalent,DOUB,C1,C2,,,,,16092,bmse000772,1
17,covalent,SING,C1,H12,,,,,16092,bmse000772,1
18,covalent,SING,C2,H13,,,,,16092,bmse000772,1
1,covalent,SING,N10,C6,,,,,16111,bmse000773,1
2,covalent,SING,N10,C4,,,,,16111,bmse000773,1
3,covalent,SING,N10,H28,,,,,16111,bmse000773,1
4,covalent,SING,N9,C5,,,,,16111,bmse000773,1
5,covalent,SING,N9,C3,,,,,16111,bmse000773,1
6,covalent,SING,N9,H27,,,,,16111,bmse000773,1
7,covalent,SING,N8,C2,,,,,16111,bmse000773,1
8,covalent,SING,N8,H25,,,,,16111,bmse000773,1
9,covalent,SING,N8,H26,,,,,16111,bmse000773,1
10,covalent,SING,N7,C1,,,,,16111,bmse000773,1
11,covalent,SING,N7,H23,,,,,16111,bmse000773,1
12,covalent,SING,N7,H24,,,,,16111,bmse000773,1
13,covalent,SING,C6,C5,,,,,16111,bmse000773,1
14,covalent,SING,C6,H21,,,,,16111,bmse000773,1
15,covalent,SING,C6,H22,,,,,16111,bmse000773,1
16,covalent,SING,C5,H19,,,,,16111,bmse000773,1
17,covalent,SING,C5,H20,,,,,16111,bmse000773,1
18,covalent,SING,C4,C2,,,,,16111,bmse000773,1
19,covalent,SING,C4,H17,,,,,16111,bmse000773,1
20,covalent,SING,C4,H18,,,,,16111,bmse000773,1
21,covalent,SING,C3,C1,,,,,16111,bmse000773,1
22,covalent,SING,C3,H15,,,,,16111,bmse000773,1
23,covalent,SING,C3,H16,,,,,16111,bmse000773,1
24,covalent,SING,C1,H11,,,,,16111,bmse000773,1
25,covalent,SING,C1,H12,,,,,16111,bmse000773,1
26,covalent,SING,C2,H13,,,,,16111,bmse000773,1
27,covalent,SING,C2,H14,,,,,16111,bmse000773,1
1,covalent,SING,P8,O5,,,,,16129,bmse000774,1
2,covalent,SING,P8,O6,,,,,16129,bmse000774,1
3,covalent,SING,P8,O7,,,,,16129,bmse000774,1
4,covalent,DOUB,P8,O4,,,,,16129,bmse000774,1
5,covalent,SING,O5,C1,,,,,16129,bmse000774,1
6,covalent,SING,O6,C2,,,,,16129,bmse000774,1
7,covalent,SING,O7,C3,,,,,16129,bmse000774,1
8,covalent,SING,C1,H11,,,,,16129,bmse000774,1
9,covalent,SING,C1,H9,,,,,16129,bmse000774,1
10,covalent,SING,C1,H10,,,,,16129,bmse000774,1
11,covalent,SING,C2,H14,,,,,16129,bmse000774,1
12,covalent,SING,C2,H12,,,,,16129,bmse000774,1
13,covalent,SING,C2,H13,,,,,16129,bmse000774,1
14,covalent,SING,C3,H17,,,,,16129,bmse000774,1
15,covalent,SING,C3,H16,,,,,16129,bmse000774,1
16,covalent,SING,C3,H15,,,,,16129,bmse000774,1
1,covalent,SING,O11,C7,,,,,16147,bmse000775,1
2,covalent,SING,O11,C1,,,,,16147,bmse000775,1
3,covalent,DOUB,O10,C8,,,,,16147,bmse000775,1
4,covalent,SING,N9,C8,,,,,16147,bmse000775,1
5,covalent,SING,N9,H19,,,,,16147,bmse000775,1
6,covalent,SING,N9,H20,,,,,16147,bmse000775,1
7,covalent,DOUB,C6,C5,,,,,16147,bmse000775,1
8,covalent,SING,C6,C3,,,,,16147,bmse000775,1
9,covalent,SING,C6,C8,,,,,16147,bmse000775,1
10,covalent,SING,C7,C5,,,,,16147,bmse000775,1
11,covalent,DOUB,C7,C4,,,,,16147,bmse000775,1
12,covalent,SING,C5,H18,,,,,16147,bmse000775,1
13,covalent,DOUB,C3,C2,,,,,16147,bmse000775,1
14,covalent,SING,C3,H16,,,,,16147,bmse000775,1
15,covalent,SING,C4,C2,,,,,16147,bmse000775,1
16,covalent,SING,C4,H17,,,,,16147,bmse000775,1
17,covalent,SING,C2,H15,,,,,16147,bmse000775,1
18,covalent,SING,C1,H14,,,,,16147,bmse000775,1
19,covalent,SING,C1,H13,,,,,16147,bmse000775,1
20,covalent,SING,C1,H12,,,,,16147,bmse000775,1
1,covalent,SING,O16,C10,,,,,16167,bmse000776,1
2,covalent,SING,O16,H33,,,,,16167,bmse000776,1
3,covalent,DOUB,O17,C10,,,,,16167,bmse000776,1
4,covalent,DOUB,O15,C9,,,,,16167,bmse000776,1
5,covalent,SING,N13,C8,,,,,16167,bmse000776,1
6,covalent,SING,N13,C9,,,,,16167,bmse000776,1
7,covalent,SING,N13,H32,,,,,16167,bmse000776,1
8,covalent,SING,N14,C7,,,,,16167,bmse000776,1
9,covalent,SING,N14,C6,,,,,16167,bmse000776,1
10,covalent,SING,N14,C1,,,,,16167,bmse000776,1
11,covalent,SING,N12,C5,,,,,16167,bmse000776,1
12,covalent,DOUB,N12,C6,,,,,16167,bmse000776,1
13,covalent,SING,N11,C3,,,,,16167,bmse000776,1
14,covalent,SING,N11,H30,,,,,16167,bmse000776,1
15,covalent,SING,N11,H31,,,,,16167,bmse000776,1
16,covalent,SING,C8,C4,,,,,16167,bmse000776,1
17,covalent,SING,C8,C10,,,,,16167,bmse000776,1
18,covalent,SING,C8,H29,,,,,16167,bmse000776,1
19,covalent,SING,C4,C7,,,,,16167,bmse000776,1
20,covalent,SING,C4,H25,,,,,16167,bmse000776,1
21,covalent,SING,C4,H26,,,,,16167,bmse000776,1
22,covalent,DOUB,C7,C5,,,,,16167,bmse000776,1
23,covalent,SING,C9,C2,,,,,16167,bmse000776,1
24,covalent,SING,C5,H27,,,,,16167,bmse000776,1
25,covalent,SING,C2,C3,,,,,16167,bmse000776,1
26,covalent,SING,C2,H21,,,,,16167,bmse000776,1
27,covalent,SING,C2,H22,,,,,16167,bmse000776,1
28,covalent,SING,C6,H28,,,,,16167,bmse000776,1
29,covalent,SING,C1,H18,,,,,16167,bmse000776,1
30,covalent,SING,C1,H19,,,,,16167,bmse000776,1
31,covalent,SING,C1,H20,,,,,16167,bmse000776,1
32,covalent,SING,C3,H23,,,,,16167,bmse000776,1
33,covalent,SING,C3,H24,,,,,16167,bmse000776,1
1,covalent,SING,P17,O14,,,,,16188,bmse000777,1
2,covalent,SING,P17,O15,,,,,16188,bmse000777,1
3,covalent,SING,P17,O16,,,,,16188,bmse000777,1
4,covalent,DOUB,P17,O13,,,,,16188,bmse000777,1
5,covalent,SING,O14,C10,,,,,16188,bmse000777,1
6,covalent,SING,O15,C11,,,,,16188,bmse000777,1
7,covalent,SING,O16,C12,,,,,16188,bmse000777,1
8,covalent,SING,C7,C10,,,,,16188,bmse000777,1
9,covalent,SING,C7,C4,,,,,16188,bmse000777,1
10,covalent,SING,C7,H33,,,,,16188,bmse000777,1
11,covalent,SING,C7,H34,,,,,16188,bmse000777,1
12,covalent,SING,C8,C11,,,,,16188,bmse000777,1
13,covalent,SING,C8,C5,,,,,16188,bmse000777,1
14,covalent,SING,C8,H35,,,,,16188,bmse000777,1
15,covalent,SING,C8,H36,,,,,16188,bmse000777,1
16,covalent,SING,C9,C12,,,,,16188,bmse000777,1
17,covalent,SING,C9,C6,,,,,16188,bmse000777,1
18,covalent,SING,C9,H37,,,,,16188,bmse000777,1
19,covalent,SING,C9,H38,,,,,16188,bmse000777,1
20,covalent,SING,C10,H39,,,,,16188,bmse000777,1
21,covalent,SING,C10,H40,,,,,16188,bmse000777,1
22,covalent,SING,C11,H41,,,,,16188,bmse000777,1
23,covalent,SING,C11,H42,,,,,16188,bmse000777,1
24,covalent,SING,C12,H43,,,,,16188,bmse000777,1
25,covalent,SING,C12,H44,,,,,16188,bmse000777,1
26,covalent,SING,C4,C1,,,,,16188,bmse000777,1
27,covalent,SING,C4,H27,,,,,16188,bmse000777,1
28,covalent,SING,C4,H28,,,,,16188,bmse000777,1
29,covalent,SING,C5,C2,,,,,16188,bmse000777,1
30,covalent,SING,C5,H29,,,,,16188,bmse000777,1
31,covalent,SING,C5,H30,,,,,16188,bmse000777,1
32,covalent,SING,C6,C3,,,,,16188,bmse000777,1
33,covalent,SING,C6,H31,,,,,16188,bmse000777,1
34,covalent,SING,C6,H32,,,,,16188,bmse000777,1
35,covalent,SING,C1,H20,,,,,16188,bmse000777,1
36,covalent,SING,C1,H19,,,,,16188,bmse000777,1
37,covalent,SING,C1,H18,,,,,16188,bmse000777,1
38,covalent,SING,C2,H21,,,,,16188,bmse000777,1
39,covalent,SING,C2,H23,,,,,16188,bmse000777,1
40,covalent,SING,C2,H22,,,,,16188,bmse000777,1
41,covalent,SING,C3,H25,,,,,16188,bmse000777,1
42,covalent,SING,C3,H26,,,,,16188,bmse000777,1
43,covalent,SING,C3,H24,,,,,16188,bmse000777,1
1,covalent,SING,C8,C10,,,,,16207,bmse000778,1
2,covalent,SING,C8,C1,,,,,16207,bmse000778,1
3,covalent,SING,C8,C2,,,,,16207,bmse000778,1
4,covalent,SING,C8,H26,,,,,16207,bmse000778,1
5,covalent,SING,C10,C6,,,,,16207,bmse000778,1
6,covalent,DOUB,C10,C7,,,,,16207,bmse000778,1
7,covalent,SING,C6,C4,,,,,16207,bmse000778,1
8,covalent,SING,C6,H23,,,,,16207,bmse000778,1
9,covalent,SING,C6,H24,,,,,16207,bmse000778,1
10,covalent,SING,C5,C7,,,,,16207,bmse000778,1
11,covalent,SING,C5,C9,,,,,16207,bmse000778,1
12,covalent,SING,C5,H21,,,,,16207,bmse000778,1
13,covalent,SING,C5,H22,,,,,16207,bmse000778,1
14,covalent,SING,C7,H25,,,,,16207,bmse000778,1
15,covalent,DOUB,C9,C4,,,,,16207,bmse000778,1
16,covalent,SING,C9,C3,,,,,16207,bmse000778,1
17,covalent,SING,C4,H20,,,,,16207,bmse000778,1
18,covalent,SING,C1,H13,,,,,16207,bmse000778,1
19,covalent,SING,C1,H11,,,,,16207,bmse000778,1
20,covalent,SING,C1,H12,,,,,16207,bmse000778,1
21,covalent,SING,C2,H16,,,,,16207,bmse000778,1
22,covalent,SING,C2,H14,,,,,16207,bmse000778,1
23,covalent,SING,C2,H15,,,,,16207,bmse000778,1
24,covalent,SING,C3,H18,,,,,16207,bmse000778,1
25,covalent,SING,C3,H19,,,,,16207,bmse000778,1
26,covalent,SING,C3,H17,,,,,16207,bmse000778,1
1,covalent,SING,Cl15,C11,,,,,16227,bmse000779,1
2,covalent,SING,O20,C13,,,,,16227,bmse000779,1
3,covalent,SING,O20,C3,,,,,16227,bmse000779,1
4,covalent,DOUB,O19,C14,,,,,16227,bmse000779,1
5,covalent,SING,N18,C7,,,,,16227,bmse000779,1
6,covalent,SING,N18,C4,,,,,16227,bmse000779,1
7,covalent,SING,N18,C5,,,,,16227,bmse000779,1
8,covalent,SING,N17,C6,,,,,16227,bmse000779,1
9,covalent,SING,N17,C14,,,,,16227,bmse000779,1
10,covalent,SING,N17,H42,,,,,16227,bmse000779,1
11,covalent,SING,N16,C12,,,,,16227,bmse000779,1
12,covalent,SING,N16,H40,,,,,16227,bmse000779,1
13,covalent,SING,N16,H41,,,,,16227,bmse000779,1
14,covalent,SING,C7,C6,,,,,16227,bmse000779,1
15,covalent,SING,C7,H36,,,,,16227,bmse000779,1
16,covalent,SING,C7,H37,,,,,16227,bmse000779,1
17,covalent,SING,C4,C1,,,,,16227,bmse000779,1
18,covalent,SING,C4,H30,,,,,16227,bmse000779,1
19,covalent,SING,C4,H31,,,,,16227,bmse000779,1
20,covalent,SING,C5,C2,,,,,16227,bmse000779,1
21,covalent,SING,C5,H32,,,,,16227,bmse000779,1
22,covalent,SING,C5,H33,,,,,16227,bmse000779,1
23,covalent,SING,C6,H34,,,,,16227,bmse000779,1
24,covalent,SING,C6,H35,,,,,16227,bmse000779,1
25,covalent,SING,C1,H23,,,,,16227,bmse000779,1
26,covalent,SING,C1,H22,,,,,16227,bmse000779,1
27,covalent,SING,C1,H21,,,,,16227,bmse000779,1
28,covalent,SING,C2,H26,,,,,16227,bmse000779,1
29,covalent,SING,C2,H25,,,,,16227,bmse000779,1
30,covalent,SING,C2,H24,,,,,16227,bmse000779,1
31,covalent,SING,C14,C10,,,,,16227,bmse000779,1
32,covalent,SING,C10,C13,,,,,16227,bmse000779,1
33,covalent,DOUB,C10,C8,,,,,16227,bmse000779,1
34,covalent,DOUB,C13,C9,,,,,16227,bmse000779,1
35,covalent,SING,C8,C11,,,,,16227,bmse000779,1
36,covalent,SING,C8,H38,,,,,16227,bmse000779,1
37,covalent,SING,C9,C12,,,,,16227,bmse000779,1
38,covalent,SING,C9,H39,,,,,16227,bmse000779,1
39,covalent,DOUB,C12,C11,,,,,16227,bmse000779,1
40,covalent,SING,C3,H28,,,,,16227,bmse000779,1
41,covalent,SING,C3,H29,,,,,16227,bmse000779,1
42,covalent,SING,C3,H27,,,,,16227,bmse000779,1
1,covalent,SING,N5,C1,,,,,16246,bmse000780,1
2,covalent,SING,N5,C2,,,,,16246,bmse000780,1
3,covalent,SING,N5,C3,,,,,16246,bmse000780,1
4,covalent,SING,N5,C4,,,,,16246,bmse000780,1
5,covalent,SING,C1,H6,,,,,16246,bmse000780,1
6,covalent,SING,C1,H7,,,,,16246,bmse000780,1
7,covalent,SING,C1,H8,,,,,16246,bmse000780,1
8,covalent,SING,C2,H9,,,,,16246,bmse000780,1
9,covalent,SING,C2,H10,,,,,16246,bmse000780,1
10,covalent,SING,C2,H11,,,,,16246,bmse000780,1
11,covalent,SING,C3,H12,,,,,16246,bmse000780,1
12,covalent,SING,C3,H13,,,,,16246,bmse000780,1
13,covalent,SING,C3,H14,,,,,16246,bmse000780,1
14,covalent,SING,C4,H15,,,,,16246,bmse000780,1
15,covalent,SING,C4,H16,,,,,16246,bmse000780,1
16,covalent,SING,C4,H17,,,,,16246,bmse000780,1
1,covalent,DOUB,S4,C2,,,,,16264,bmse000781,1
2,covalent,SING,N3,C2,,,,,16264,bmse000781,1
3,covalent,SING,N3,H8,,,,,16264,bmse000781,1
4,covalent,SING,N3,H9,,,,,16264,bmse000781,1
5,covalent,SING,C1,C2,,,,,16264,bmse000781,1
6,covalent,SING,C1,H6,,,,,16264,bmse000781,1
7,covalent,SING,C1,H7,,,,,16264,bmse000781,1
8,covalent,SING,C1,H5,,,,,16264,bmse000781,1
1,covalent,SING,As3,O4,,,,,16282,bmse000786,1
2,covalent,DOUB,As3,O5,,,,,16282,bmse000786,1
3,covalent,SING,As3,C1,,,,,16282,bmse000786,1
4,covalent,SING,As3,C2,,,,,16282,bmse000786,1
5,covalent,SING,O4,H12,,,,,16282,bmse000786,1
6,covalent,SING,C1,H7,,,,,16282,bmse000786,1
7,covalent,SING,C1,H8,,,,,16282,bmse000786,1
8,covalent,SING,C1,H6,,,,,16282,bmse000786,1
9,covalent,SING,C2,H11,,,,,16282,bmse000786,1
10,covalent,SING,C2,H9,,,,,16282,bmse000786,1
11,covalent,SING,C2,H10,,,,,16282,bmse000786,1
1,covalent,SING,S12,O8,,,,,16303,bmse000787,1
2,covalent,DOUB,S12,O9,,,,,16303,bmse000787,1
3,covalent,DOUB,S12,O10,,,,,16303,bmse000787,1
4,covalent,SING,S12,C6,,,,,16303,bmse000787,1
5,covalent,SING,O11,C4,,,,,16303,bmse000787,1
6,covalent,SING,O11,C5,,,,,16303,bmse000787,1
7,covalent,SING,O8,H25,,,,,16303,bmse000787,1
8,covalent,SING,N7,C1,,,,,16303,bmse000787,1
9,covalent,SING,N7,C2,,,,,16303,bmse000787,1
10,covalent,SING,N7,C3,,,,,16303,bmse000787,1
11,covalent,SING,C1,C4,,,,,16303,bmse000787,1
12,covalent,SING,C1,H13,,,,,16303,bmse000787,1
13,covalent,SING,C1,H14,,,,,16303,bmse000787,1
14,covalent,SING,C2,C5,,,,,16303,bmse000787,1
15,covalent,SING,C2,H15,,,,,16303,bmse000787,1
16,covalent,SING,C2,H16,,,,,16303,bmse000787,1
17,covalent,SING,C3,C6,,,,,16303,bmse000787,1
18,covalent,SING,C3,H17,,,,,16303,bmse000787,1
19,covalent,SING,C3,H18,,,,,16303,bmse000787,1
20,covalent,SING,C4,H19,,,,,16303,bmse000787,1
21,covalent,SING,C4,H20,,,,,16303,bmse000787,1
22,covalent,SING,C5,H21,,,,,16303,bmse000787,1
23,covalent,SING,C5,H22,,,,,16303,bmse000787,1
24,covalent,SING,C6,H23,,,,,16303,bmse000787,1
25,covalent,SING,C6,H24,,,,,16303,bmse000787,1
1,covalent,SING,S13,O9,,,,,16324,bmse000788,1
2,covalent,DOUB,S13,O10,,,,,16324,bmse000788,1
3,covalent,DOUB,S13,O11,,,,,16324,bmse000788,1
4,covalent,SING,S13,C7,,,,,16324,bmse000788,1
5,covalent,SING,O12,C5,,,,,16324,bmse000788,1
6,covalent,SING,O12,C6,,,,,16324,bmse000788,1
7,covalent,SING,O9,H28,,,,,16324,bmse000788,1
8,covalent,SING,N8,C2,,,,,16324,bmse000788,1
9,covalent,SING,N8,C3,,,,,16324,bmse000788,1
10,covalent,SING,N8,C4,,,,,16324,bmse000788,1
11,covalent,SING,C2,C1,,,,,16324,bmse000788,1
12,covalent,SING,C2,H16,,,,,16324,bmse000788,1
13,covalent,SING,C2,H17,,,,,16324,bmse000788,1
14,covalent,SING,C3,C5,,,,,16324,bmse000788,1
15,covalent,SING,C3,H18,,,,,16324,bmse000788,1
16,covalent,SING,C3,H19,,,,,16324,bmse000788,1
17,covalent,SING,C4,C6,,,,,16324,bmse000788,1
18,covalent,SING,C4,H20,,,,,16324,bmse000788,1
19,covalent,SING,C4,H21,,,,,16324,bmse000788,1
20,covalent,SING,C1,C7,,,,,16324,bmse000788,1
21,covalent,SING,C1,H14,,,,,16324,bmse000788,1
22,covalent,SING,C1,H15,,,,,16324,bmse000788,1
23,covalent,SING,C5,H22,,,,,16324,bmse000788,1
24,covalent,SING,C5,H23,,,,,16324,bmse000788,1
25,covalent,SING,C6,H24,,,,,16324,bmse000788,1
26,covalent,SING,C6,H25,,,,,16324,bmse000788,1
27,covalent,SING,C7,H26,,,,,16324,bmse000788,1
28,covalent,SING,C7,H27,,,,,16324,bmse000788,1
1,covalent,SING,C1,N7,,,,,16345,bmse000789,1
2,covalent,SING,C1,H9,,,,,16345,bmse000789,1
3,covalent,SING,C1,H11,,,,,16345,bmse000789,1
4,covalent,SING,C1,H10,,,,,16345,bmse000789,1
5,covalent,SING,C2,C3,,,,,16345,bmse000789,1
6,covalent,SING,C2,N7,,,,,16345,bmse000789,1
7,covalent,SING,C2,H12,,,,,16345,bmse000789,1
8,covalent,SING,C2,H13,,,,,16345,bmse000789,1
9,covalent,SING,C3,N6,,,,,16345,bmse000789,1
10,covalent,DOUB,C3,O8,,,,,16345,bmse000789,1
11,covalent,SING,C4,N5,,,,,16345,bmse000789,1
12,covalent,DOUB,C4,N6,,,,,16345,bmse000789,1
13,covalent,SING,C4,N7,,,,,16345,bmse000789,1
14,covalent,SING,N5,H14,,,,,16345,bmse000789,1
15,covalent,SING,N5,H15,,,,,16345,bmse000789,1
1,covalent,SING,H6,C1,,,,,16362,bmse000790,1
2,covalent,SING,H7,C2,,,,,16362,bmse000790,1
3,covalent,SING,H8,C3,,,,,16362,bmse000790,1
4,covalent,SING,H9,N5,,,,,16362,bmse000790,1
5,covalent,DOUB,C1,C2,,,,,16362,bmse000790,1
6,covalent,SING,C1,N4,,,,,16362,bmse000790,1
7,covalent,SING,C2,N5,,,,,16362,bmse000790,1
8,covalent,DOUB,C3,N4,,,,,16362,bmse000790,1
9,covalent,SING,C3,N5,,,,,16362,bmse000790,1
1,covalent,SING,C6,C5,,,,,16379,bmse000791,1
2,covalent,SING,C6,O11,,,,,16379,bmse000791,1
3,covalent,SING,C6,O12,,,,,16379,bmse000791,1
4,covalent,SING,C6,H19,,,,,16379,bmse000791,1
5,covalent,SING,C5,C4,,,,,16379,bmse000791,1
6,covalent,SING,C5,O10,,,,,16379,bmse000791,1
7,covalent,SING,C5,H18,,,,,16379,bmse000791,1
8,covalent,SING,C4,C3,,,,,16379,bmse000791,1
9,covalent,SING,C4,O9,,,,,16379,bmse000791,1
10,covalent,SING,C4,H17,,,,,16379,bmse000791,1
11,covalent,SING,C3,C2,,,,,16379,bmse000791,1
12,covalent,SING,C3,O8,,,,,16379,bmse000791,1
13,covalent,SING,C3,H16,,,,,16379,bmse000791,1
14,covalent,SING,C2,C1,,,,,16379,bmse000791,1
15,covalent,SING,C2,O12,,,,,16379,bmse000791,1
16,covalent,SING,C2,H15,,,,,16379,bmse000791,1
17,covalent,SING,C1,O7,,,,,16379,bmse000791,1
18,covalent,SING,C1,H13,,,,,16379,bmse000791,1
19,covalent,SING,C1,H14,,,,,16379,bmse000791,1
20,covalent,SING,O11,H24,,,,,16379,bmse000791,1
21,covalent,SING,O10,H23,,,,,16379,bmse000791,1
22,covalent,SING,O9,H22,,,,,16379,bmse000791,1
23,covalent,SING,O8,H21,,,,,16379,bmse000791,1
24,covalent,SING,O7,H20,,,,,16379,bmse000791,1
1,covalent,SING,S15,C8,,,,,16396,bmse000792,1
2,covalent,DOUB,S15,O12,,,,,16396,bmse000792,1
3,covalent,DOUB,S15,O13,,,,,16396,bmse000792,1
4,covalent,SING,S15,O14,,,,,16396,bmse000792,1
5,covalent,SING,C8,C6,,,,,16396,bmse000792,1
6,covalent,SING,C8,H30,,,,,16396,bmse000792,1
7,covalent,SING,C8,H31,,,,,16396,bmse000792,1
8,covalent,SING,C6,N10,,,,,16396,bmse000792,1
9,covalent,SING,C6,H26,,,,,16396,bmse000792,1
10,covalent,SING,C6,H27,,,,,16396,bmse000792,1
11,covalent,SING,N10,C3,,,,,16396,bmse000792,1
12,covalent,SING,N10,C4,,,,,16396,bmse000792,1
13,covalent,SING,C3,C1,,,,,16396,bmse000792,1
14,covalent,SING,C3,H20,,,,,16396,bmse000792,1
15,covalent,SING,C3,H21,,,,,16396,bmse000792,1
16,covalent,SING,C4,C2,,,,,16396,bmse000792,1
17,covalent,SING,C4,H22,,,,,16396,bmse000792,1
18,covalent,SING,C4,H23,,,,,16396,bmse000792,1
19,covalent,SING,C1,N9,,,,,16396,bmse000792,1
20,covalent,SING,C1,H16,,,,,16396,bmse000792,1
21,covalent,SING,C1,H17,,,,,16396,bmse000792,1
22,covalent,SING,C2,N9,,,,,16396,bmse000792,1
23,covalent,SING,C2,H18,,,,,16396,bmse000792,1
24,covalent,SING,C2,H19,,,,,16396,bmse000792,1
25,covalent,SING,N9,C5,,,,,16396,bmse000792,1
26,covalent,SING,N9,H32,,,,,16396,bmse000792,1
27,covalent,SING,C5,C7,,,,,16396,bmse000792,1
28,covalent,SING,C5,H24,,,,,16396,bmse000792,1
29,covalent,SING,C5,H25,,,,,16396,bmse000792,1
30,covalent,SING,C7,O11,,,,,16396,bmse000792,1
31,covalent,SING,C7,H28,,,,,16396,bmse000792,1
32,covalent,SING,C7,H29,,,,,16396,bmse000792,1
33,covalent,SING,O11,H33,,,,,16396,bmse000792,1
1,covalent,SING,C4,O19,,,,,16411,bmse000793,1
2,covalent,SING,C10,O19,,,,,16411,bmse000793,1
3,covalent,SING,O18,C10,,,,,16411,bmse000793,1
4,covalent,SING,O18,C1,,,,,16411,bmse000793,1
5,covalent,SING,O17,C2,,,,,16411,bmse000793,1
6,covalent,SING,O17,C9,,,,,16411,bmse000793,1
7,covalent,SING,C6,O13,,,,,16411,bmse000793,1
8,covalent,SING,O13,H34,,,,,16411,bmse000793,1
9,covalent,SING,C8,O15,,,,,16411,bmse000793,1
10,covalent,SING,O15,H36,,,,,16411,bmse000793,1
11,covalent,SING,C5,O12,,,,,16411,bmse000793,1
12,covalent,SING,O12,H33,,,,,16411,bmse000793,1
13,covalent,SING,C7,O14,,,,,16411,bmse000793,1
14,covalent,SING,O14,H35,,,,,16411,bmse000793,1
15,covalent,SING,C3,O11,,,,,16411,bmse000793,1
16,covalent,SING,O11,H32,,,,,16411,bmse000793,1
17,covalent,SING,O16,C9,,,,,16411,bmse000793,1
18,covalent,SING,O16,H37,,,,,16411,bmse000793,1
19,covalent,SING,C4,C6,,,,,16411,bmse000793,1
20,covalent,SING,C4,C2,,,,,16411,bmse000793,1
21,covalent,SING,C4,H25,,,,,16411,bmse000793,1
22,covalent,SING,C6,C7,,,,,16411,bmse000793,1
23,covalent,SING,C6,H27,,,,,16411,bmse000793,1
24,covalent,SING,C10,C8,,,,,16411,bmse000793,1
25,covalent,SING,C10,H31,,,,,16411,bmse000793,1
26,covalent,SING,C8,C5,,,,,16411,bmse000793,1
27,covalent,SING,C8,H29,,,,,16411,bmse000793,1
28,covalent,SING,C5,C3,,,,,16411,bmse000793,1
29,covalent,SING,C5,H26,,,,,16411,bmse000793,1
30,covalent,SING,C7,C9,,,,,16411,bmse000793,1
31,covalent,SING,C7,H28,,,,,16411,bmse000793,1
32,covalent,SING,C3,C1,,,,,16411,bmse000793,1
33,covalent,SING,C3,H24,,,,,16411,bmse000793,1
34,covalent,SING,C2,H22,,,,,16411,bmse000793,1
35,covalent,SING,C2,H23,,,,,16411,bmse000793,1
36,covalent,SING,C9,H30,,,,,16411,bmse000793,1
37,covalent,SING,C1,H20,,,,,16411,bmse000793,1
38,covalent,SING,C1,H21,,,,,16411,bmse000793,1
1,covalent,SING,O9,C7,,,,,16430,bmse000794,1
2,covalent,SING,O9,H26,,,,,16430,bmse000794,1
3,covalent,DOUB,O10,C7,,,,,16430,bmse000794,1
4,covalent,SING,N8,C6,,,,,16430,bmse000794,1
5,covalent,SING,N8,C1,,,,,16430,bmse000794,1
6,covalent,SING,N8,C2,,,,,16430,bmse000794,1
7,covalent,SING,N8,C3,,,,,16430,bmse000794,1
8,covalent,SING,C6,C4,,,,,16430,bmse000794,1
9,covalent,SING,C6,H24,,,,,16430,bmse000794,1
10,covalent,SING,C6,H25,,,,,16430,bmse000794,1
11,covalent,SING,C4,C5,,,,,16430,bmse000794,1
12,covalent,SING,C4,H20,,,,,16430,bmse000794,1
13,covalent,SING,C4,H21,,,,,16430,bmse000794,1
14,covalent,SING,C1,H11,,,,,16430,bmse000794,1
15,covalent,SING,C1,H12,,,,,16430,bmse000794,1
16,covalent,SING,C1,H13,,,,,16430,bmse000794,1
17,covalent,SING,C2,H15,,,,,16430,bmse000794,1
18,covalent,SING,C2,H16,,,,,16430,bmse000794,1
19,covalent,SING,C2,H14,,,,,16430,bmse000794,1
20,covalent,SING,C3,H19,,,,,16430,bmse000794,1
21,covalent,SING,C3,H18,,,,,16430,bmse000794,1
22,covalent,SING,C3,H17,,,,,16430,bmse000794,1
23,covalent,SING,C5,C7,,,,,16430,bmse000794,1
24,covalent,SING,C5,H22,,,,,16430,bmse000794,1
25,covalent,SING,C5,H23,,,,,16430,bmse000794,1
1,covalent,SING,S10,O7,,,,,16448,bmse000795,1
2,covalent,DOUB,S10,O8,,,,,16448,bmse000795,1
3,covalent,DOUB,S10,O9,,,,,16448,bmse000795,1
4,covalent,SING,S10,C5,,,,,16448,bmse000795,1
5,covalent,SING,Si11,C6,,,,,16448,bmse000795,1
6,covalent,SING,Si11,C1,,,,,16448,bmse000795,1
7,covalent,SING,Si11,C2,,,,,16448,bmse000795,1
8,covalent,SING,Si11,C3,,,,,16448,bmse000795,1
9,covalent,SING,C6,C4,,,,,16448,bmse000795,1
10,covalent,SING,C6,H25,,,,,16448,bmse000795,1
11,covalent,SING,C6,H26,,,,,16448,bmse000795,1
12,covalent,SING,C4,C5,,,,,16448,bmse000795,1
13,covalent,SING,C4,H21,,,,,16448,bmse000795,1
14,covalent,SING,C4,H22,,,,,16448,bmse000795,1
15,covalent,SING,C1,H13,,,,,16448,bmse000795,1
16,covalent,SING,C1,H12,,,,,16448,bmse000795,1
17,covalent,SING,C1,H14,,,,,16448,bmse000795,1
18,covalent,SING,C2,H16,,,,,16448,bmse000795,1
19,covalent,SING,C2,H17,,,,,16448,bmse000795,1
20,covalent,SING,C2,H15,,,,,16448,bmse000795,1
21,covalent,SING,C3,H19,,,,,16448,bmse000795,1
22,covalent,SING,C3,H20,,,,,16448,bmse000795,1
23,covalent,SING,C3,H18,,,,,16448,bmse000795,1
24,covalent,SING,C5,H23,,,,,16448,bmse000795,1
25,covalent,SING,C5,H24,,,,,16448,bmse000795,1
1,covalent,SING,C2,C1,,,,,16466,bmse000796,1
2,covalent,SING,C2,N4,,,,,16466,bmse000796,1
3,covalent,SING,C2,H8,,,,,16466,bmse000796,1
4,covalent,SING,C2,H9,,,,,16466,bmse000796,1
5,covalent,SING,C1,C3,,,,,16466,bmse000796,1
6,covalent,SING,C1,H6,,,,,16466,bmse000796,1
7,covalent,SING,C1,H7,,,,,16466,bmse000796,1
8,covalent,SING,C3,N5,,,,,16466,bmse000796,1
9,covalent,SING,C3,H10,,,,,16466,bmse000796,1
10,covalent,SING,C3,H11,,,,,16466,bmse000796,1
11,covalent,SING,N5,H14,,,,,16466,bmse000796,1
12,covalent,SING,N5,H15,,,,,16466,bmse000796,1
13,covalent,SING,N4,H12,,,,,16466,bmse000796,1
14,covalent,SING,N4,H13,,,,,16466,bmse000796,1
1,covalent,SING,C6,C5,,,,,16480,bmse000797,1
2,covalent,SING,C6,O11,,,,,16480,bmse000797,1
3,covalent,SING,C6,O12,,,,,16480,bmse000797,1
4,covalent,SING,C6,H19,,,,,16480,bmse000797,1
5,covalent,SING,C5,C4,,,,,16480,bmse000797,1
6,covalent,SING,C5,O10,,,,,16480,bmse000797,1
7,covalent,SING,C5,H18,,,,,16480,bmse000797,1
8,covalent,SING,C4,C3,,,,,16480,bmse000797,1
9,covalent,SING,C4,O9,,,,,16480,bmse000797,1
10,covalent,SING,C4,H17,,,,,16480,bmse000797,1
11,covalent,SING,C3,C2,,,,,16480,bmse000797,1
12,covalent,SING,C3,O8,,,,,16480,bmse000797,1
13,covalent,SING,C3,H16,,,,,16480,bmse000797,1
14,covalent,SING,C2,C1,,,,,16480,bmse000797,1
15,covalent,SING,C2,O12,,,,,16480,bmse000797,1
16,covalent,SING,C2,H15,,,,,16480,bmse000797,1
17,covalent,SING,C1,O7,,,,,16480,bmse000797,1
18,covalent,SING,C1,H13,,,,,16480,bmse000797,1
19,covalent,SING,C1,H14,,,,,16480,bmse000797,1
20,covalent,SING,O11,H24,,,,,16480,bmse000797,1
21,covalent,SING,O10,H23,,,,,16480,bmse000797,1
22,covalent,SING,O9,H22,,,,,16480,bmse000797,1
23,covalent,SING,O8,H21,,,,,16480,bmse000797,1
24,covalent,SING,O7,H20,,,,,16480,bmse000797,1
1,covalent,SING,C10,C4,,,,,16494,bmse000798,1
2,covalent,SING,C10,O23,,,,,16494,bmse000798,1
3,covalent,SING,C10,C7,,,,,16494,bmse000798,1
4,covalent,SING,C10,H35,,,,,16494,bmse000798,1
5,covalent,SING,C4,O21,,,,,16494,bmse000798,1
6,covalent,SING,C4,C2,,,,,16494,bmse000798,1
7,covalent,SING,C4,H29,,,,,16494,bmse000798,1
8,covalent,SING,O23,C12,,,,,16494,bmse000798,1
9,covalent,SING,C7,C8,,,,,16494,bmse000798,1
10,covalent,SING,C7,O17,,,,,16494,bmse000798,1
11,covalent,SING,C7,H32,,,,,16494,bmse000798,1
12,covalent,SING,O21,C11,,,,,16494,bmse000798,1
13,covalent,SING,C2,O14,,,,,16494,bmse000798,1
14,covalent,SING,C2,H26,,,,,16494,bmse000798,1
15,covalent,SING,C2,H27,,,,,16494,bmse000798,1
16,covalent,SING,C12,O22,,,,,16494,bmse000798,1
17,covalent,SING,C12,C9,,,,,16494,bmse000798,1
18,covalent,SING,C12,H37,,,,,16494,bmse000798,1
19,covalent,SING,C8,C11,,,,,16494,bmse000798,1
20,covalent,SING,C8,O18,,,,,16494,bmse000798,1
21,covalent,SING,C8,H33,,,,,16494,bmse000798,1
22,covalent,SING,O17,H42,,,,,16494,bmse000798,1
23,covalent,SING,C11,O20,,,,,16494,bmse000798,1
24,covalent,SING,C11,H36,,,,,16494,bmse000798,1
25,covalent,SING,O14,H39,,,,,16494,bmse000798,1
26,covalent,SING,O22,C3,,,,,16494,bmse000798,1
27,covalent,SING,C9,C6,,,,,16494,bmse000798,1
28,covalent,SING,C9,O19,,,,,16494,bmse000798,1
29,covalent,SING,C9,H34,,,,,16494,bmse000798,1
30,covalent,SING,O18,H43,,,,,16494,bmse000798,1
31,covalent,SING,O20,H45,,,,,16494,bmse000798,1
32,covalent,SING,C3,C5,,,,,16494,bmse000798,1
33,covalent,SING,C3,C1,,,,,16494,bmse000798,1
34,covalent,SING,C3,H28,,,,,16494,bmse000798,1
35,covalent,SING,C6,C5,,,,,16494,bmse000798,1
36,covalent,SING,C6,O16,,,,,16494,bmse000798,1
37,covalent,SING,C6,H31,,,,,16494,bmse000798,1
38,covalent,SING,O19,H44,,,,,16494,bmse000798,1
39,covalent,SING,C5,O15,,,,,16494,bmse000798,1
40,covalent,SING,C5,H30,,,,,16494,bmse000798,1
41,covalent,SING,C1,O13,,,,,16494,bmse000798,1
42,covalent,SING,C1,H24,,,,,16494,bmse000798,1
43,covalent,SING,C1,H25,,,,,16494,bmse000798,1
44,covalent,SING,O16,H41,,,,,16494,bmse000798,1
45,covalent,SING,O15,H40,,,,,16494,bmse000798,1
46,covalent,SING,O13,H38,,,,,16494,bmse000798,1
1,covalent,SING,C6,C5,,,,,16508,bmse000799,1
2,covalent,SING,C6,O12,,,,,16508,bmse000799,1
3,covalent,SING,C6,C2,,,,,16508,bmse000799,1
4,covalent,SING,C6,O11,,,,,16508,bmse000799,1
5,covalent,SING,C5,C4,,,,,16508,bmse000799,1
6,covalent,SING,C5,O10,,,,,16508,bmse000799,1
7,covalent,SING,C5,H19,,,,,16508,bmse000799,1
8,covalent,SING,O12,C1,,,,,16508,bmse000799,1
9,covalent,SING,C2,O7,,,,,16508,bmse000799,1
10,covalent,SING,C2,H15,,,,,16508,bmse000799,1
11,covalent,SING,C2,H16,,,,,16508,bmse000799,1
12,covalent,SING,O11,H24,,,,,16508,bmse000799,1
13,covalent,SING,C4,C3,,,,,16508,bmse000799,1
14,covalent,SING,C4,O9,,,,,16508,bmse000799,1
15,covalent,SING,C4,H18,,,,,16508,bmse000799,1
16,covalent,SING,O10,H23,,,,,16508,bmse000799,1
17,covalent,SING,C1,C3,,,,,16508,bmse000799,1
18,covalent,SING,C1,H13,,,,,16508,bmse000799,1
19,covalent,SING,C1,H14,,,,,16508,bmse000799,1
20,covalent,SING,O7,H20,,,,,16508,bmse000799,1
21,covalent,SING,C3,O8,,,,,16508,bmse000799,1
22,covalent,SING,C3,H17,,,,,16508,bmse000799,1
23,covalent,SING,O9,H22,,,,,16508,bmse000799,1
24,covalent,SING,O8,H21,,,,,16508,bmse000799,1
1,covalent,DOUB,C5,O10,,,,,16522,bmse000800,1
2,covalent,SING,C5,O11,,,,,16522,bmse000800,1
3,covalent,SING,C5,C4,,,,,16522,bmse000800,1
4,covalent,SING,O11,H25,,,,,16522,bmse000800,1
5,covalent,SING,C4,N7,,,,,16522,bmse000800,1
6,covalent,SING,C4,C2,,,,,16522,bmse000800,1
7,covalent,SING,C4,H19,,,,,16522,bmse000800,1
8,covalent,SING,N7,H20,,,,,16522,bmse000800,1
9,covalent,SING,N7,H21,,,,,16522,bmse000800,1
10,covalent,SING,C2,C1,,,,,16522,bmse000800,1
11,covalent,SING,C2,H15,,,,,16522,bmse000800,1
12,covalent,SING,C2,H16,,,,,16522,bmse000800,1
13,covalent,SING,C1,C3,,,,,16522,bmse000800,1
14,covalent,SING,C1,H13,,,,,16522,bmse000800,1
15,covalent,SING,C1,H14,,,,,16522,bmse000800,1
16,covalent,SING,C3,N9,,,,,16522,bmse000800,1
17,covalent,SING,C3,H17,,,,,16522,bmse000800,1
18,covalent,SING,C3,H18,,,,,16522,bmse000800,1
19,covalent,SING,N9,C6,,,,,16522,bmse000800,1
20,covalent,SING,N9,H24,,,,,16522,bmse000800,1
21,covalent,DOUB,C6,O12,,,,,16522,bmse000800,1
22,covalent,SING,C6,N8,,,,,16522,bmse000800,1
23,covalent,SING,N8,H22,,,,,16522,bmse000800,1
24,covalent,SING,N8,H23,,,,,16522,bmse000800,1
1,covalent,SING,C5,C3,,,,,16536,bmse000801,1
2,covalent,DOUB,C5,O9,,,,,16536,bmse000801,1
3,covalent,SING,C5,O10,,,,,16536,bmse000801,1
4,covalent,DOUB,C3,O6,,,,,16536,bmse000801,1
5,covalent,SING,C3,C1,,,,,16536,bmse000801,1
6,covalent,DOUB,C4,O7,,,,,16536,bmse000801,1
7,covalent,SING,C4,C2,,,,,16536,bmse000801,1
8,covalent,SING,C4,O8,,,,,16536,bmse000801,1
9,covalent,SING,C1,C2,,,,,16536,bmse000801,1
10,covalent,SING,C1,H11,,,,,16536,bmse000801,1
11,covalent,SING,C1,H12,,,,,16536,bmse000801,1
12,covalent,SING,C2,H13,,,,,16536,bmse000801,1
13,covalent,SING,C2,H14,,,,,16536,bmse000801,1
14,covalent,SING,O10,H16,,,,,16536,bmse000801,1
15,covalent,SING,O8,H15,,,,,16536,bmse000801,1
1,covalent,SING,C5,C3,,,,,16550,bmse000802,1
2,covalent,SING,C5,C4,,,,,16550,bmse000802,1
3,covalent,SING,C5,O10,,,,,16550,bmse000802,1
4,covalent,SING,C5,H17,,,,,16550,bmse000802,1
5,covalent,SING,C3,C1,,,,,16550,bmse000802,1
6,covalent,SING,C3,O8,,,,,16550,bmse000802,1
7,covalent,SING,C3,H15,,,,,16550,bmse000802,1
8,covalent,SING,C4,C2,,,,,16550,bmse000802,1
9,covalent,SING,C4,O9,,,,,16550,bmse000802,1
10,covalent,SING,C4,H16,,,,,16550,bmse000802,1
11,covalent,SING,O10,H22,,,,,16550,bmse000802,1
12,covalent,SING,C1,O6,,,,,16550,bmse000802,1
13,covalent,SING,C1,H11,,,,,16550,bmse000802,1
14,covalent,SING,C1,H12,,,,,16550,bmse000802,1
15,covalent,SING,O8,H20,,,,,16550,bmse000802,1
16,covalent,SING,C2,O7,,,,,16550,bmse000802,1
17,covalent,SING,C2,H13,,,,,16550,bmse000802,1
18,covalent,SING,C2,H14,,,,,16550,bmse000802,1
19,covalent,SING,O9,H21,,,,,16550,bmse000802,1
20,covalent,SING,O6,H18,,,,,16550,bmse000802,1
21,covalent,SING,O7,H19,,,,,16550,bmse000802,1
1,covalent,SING,C2,C4,,,,,16564,bmse000803,1
2,covalent,SING,C2,O8,,,,,16564,bmse000803,1
3,covalent,SING,C2,H15,,,,,16564,bmse000803,1
4,covalent,SING,C2,H16,,,,,16564,bmse000803,1
5,covalent,SING,C4,C6,,,,,16564,bmse000803,1
6,covalent,SING,C4,O10,,,,,16564,bmse000803,1
7,covalent,SING,C4,H18,,,,,16564,bmse000803,1
8,covalent,SING,C6,C5,,,,,16564,bmse000803,1
9,covalent,SING,C6,O12,,,,,16564,bmse000803,1
10,covalent,SING,C6,H20,,,,,16564,bmse000803,1
11,covalent,SING,C5,C3,,,,,16564,bmse000803,1
12,covalent,SING,C5,O11,,,,,16564,bmse000803,1
13,covalent,SING,C5,H19,,,,,16564,bmse000803,1
14,covalent,SING,C3,C1,,,,,16564,bmse000803,1
15,covalent,SING,C3,O9,,,,,16564,bmse000803,1
16,covalent,SING,C3,H17,,,,,16564,bmse000803,1
17,covalent,SING,C1,O7,,,,,16564,bmse000803,1
18,covalent,SING,C1,H13,,,,,16564,bmse000803,1
19,covalent,SING,C1,H14,,,,,16564,bmse000803,1
20,covalent,SING,O8,H22,,,,,16564,bmse000803,1
21,covalent,SING,O10,H24,,,,,16564,bmse000803,1
22,covalent,SING,O12,H26,,,,,16564,bmse000803,1
23,covalent,SING,O11,H25,,,,,16564,bmse000803,1
24,covalent,SING,O9,H23,,,,,16564,bmse000803,1
25,covalent,SING,O7,H21,,,,,16564,bmse000803,1
1,covalent,SING,C11,C9,,,,,16578,bmse000804,1
2,covalent,SING,C11,O23,,,,,16578,bmse000804,1
3,covalent,SING,C11,O21,,,,,16578,bmse000804,1
4,covalent,SING,C11,H37,,,,,16578,bmse000804,1
5,covalent,SING,C9,C8,,,,,16578,bmse000804,1
6,covalent,SING,C9,O19,,,,,16578,bmse000804,1
7,covalent,SING,C9,H35,,,,,16578,bmse000804,1
8,covalent,SING,C8,C6,,,,,16578,bmse000804,1
9,covalent,SING,C8,O18,,,,,16578,bmse000804,1
10,covalent,SING,C8,H34,,,,,16578,bmse000804,1
11,covalent,SING,C6,C4,,,,,16578,bmse000804,1
12,covalent,SING,C6,O16,,,,,16578,bmse000804,1
13,covalent,SING,C6,H32,,,,,16578,bmse000804,1
14,covalent,SING,C4,C1,,,,,16578,bmse000804,1
15,covalent,SING,C4,O21,,,,,16578,bmse000804,1
16,covalent,SING,C4,H30,,,,,16578,bmse000804,1
17,covalent,SING,C1,O13,,,,,16578,bmse000804,1
18,covalent,SING,C1,H24,,,,,16578,bmse000804,1
19,covalent,SING,C1,H25,,,,,16578,bmse000804,1
20,covalent,SING,C12,O23,,,,,16578,bmse000804,1
21,covalent,SING,O19,H44,,,,,16578,bmse000804,1
22,covalent,SING,O18,H43,,,,,16578,bmse000804,1
23,covalent,SING,O16,H41,,,,,16578,bmse000804,1
24,covalent,SING,O13,H38,,,,,16578,bmse000804,1
25,covalent,SING,C12,C10,,,,,16578,bmse000804,1
26,covalent,SING,C12,O22,,,,,16578,bmse000804,1
27,covalent,SING,C12,C3,,,,,16578,bmse000804,1
28,covalent,SING,C10,C7,,,,,16578,bmse000804,1
29,covalent,SING,C10,O20,,,,,16578,bmse000804,1
30,covalent,SING,C10,H36,,,,,16578,bmse000804,1
31,covalent,SING,C7,C5,,,,,16578,bmse000804,1
32,covalent,SING,C7,O17,,,,,16578,bmse000804,1
33,covalent,SING,C7,H33,,,,,16578,bmse000804,1
34,covalent,SING,C5,C2,,,,,16578,bmse000804,1
35,covalent,SING,C5,O22,,,,,16578,bmse000804,1
36,covalent,SING,C5,H31,,,,,16578,bmse000804,1
37,covalent,SING,C2,O14,,,,,16578,bmse000804,1
38,covalent,SING,C2,H26,,,,,16578,bmse000804,1
39,covalent,SING,C2,H27,,,,,16578,bmse000804,1
40,covalent,SING,O20,H45,,,,,16578,bmse000804,1
41,covalent,SING,O17,H42,,,,,16578,bmse000804,1
42,covalent,SING,O14,H39,,,,,16578,bmse000804,1
43,covalent,SING,C3,O15,,,,,16578,bmse000804,1
44,covalent,SING,C3,H28,,,,,16578,bmse000804,1
45,covalent,SING,C3,H29,,,,,16578,bmse000804,1
46,covalent,SING,O15,H40,,,,,16578,bmse000804,1
1,covalent,SING,S7,C2,,,,,16592,bmse000805,1
2,covalent,DOUB,S7,O4,,,,,16592,bmse000805,1
3,covalent,DOUB,S7,O5,,,,,16592,bmse000805,1
4,covalent,SING,S7,O6,,,,,16592,bmse000805,1
5,covalent,SING,C2,C1,,,,,16592,bmse000805,1
6,covalent,SING,C2,H10,,,,,16592,bmse000805,1
7,covalent,SING,C2,H11,,,,,16592,bmse000805,1
8,covalent,SING,O6,H14,,,,,16592,bmse000805,1
9,covalent,SING,N3,C1,,,,,16592,bmse000805,1
10,covalent,SING,N3,H12,,,,,16592,bmse000805,1
11,covalent,SING,N3,H13,,,,,16592,bmse000805,1
12,covalent,SING,C1,H8,,,,,16592,bmse000805,1
13,covalent,SING,C1,H9,,,,,16592,bmse000805,1
1,covalent,SING,C9,N21,,,,,16606,bmse000806,1
2,covalent,SING,N21,H61,,,,,16606,bmse000806,1
3,covalent,SING,N21,H62,,,,,16606,bmse000806,1
4,covalent,SING,C9,C19,,,,,16606,bmse000806,1
5,covalent,SING,C9,C1,,,,,16606,bmse000806,1
6,covalent,SING,C9,H57,,,,,16606,bmse000806,1
7,covalent,DOUB,C19,O35,,,,,16606,bmse000806,1
8,covalent,SING,C19,O36,,,,,16606,bmse000806,1
9,covalent,SING,O36,H71,,,,,16606,bmse000806,1
10,covalent,SING,C1,C3,,,,,16606,bmse000806,1
11,covalent,SING,C1,H41,,,,,16606,bmse000806,1
12,covalent,SING,C1,H42,,,,,16606,bmse000806,1
13,covalent,SING,C3,C13,,,,,16606,bmse000806,1
14,covalent,SING,C3,H45,,,,,16606,bmse000806,1
15,covalent,SING,C3,H46,,,,,16606,bmse000806,1
16,covalent,DOUB,C13,O27,,,,,16606,bmse000806,1
17,covalent,SING,C13,N25,,,,,16606,bmse000806,1
18,covalent,SING,C11,N25,,,,,16606,bmse000806,1
19,covalent,SING,N25,H67,,,,,16606,bmse000806,1
20,covalent,SING,C11,C17,,,,,16606,bmse000806,1
21,covalent,SING,C11,C7,,,,,16606,bmse000806,1
22,covalent,SING,C11,H59,,,,,16606,bmse000806,1
23,covalent,DOUB,C17,O33,,,,,16606,bmse000806,1
24,covalent,SING,C17,N23,,,,,16606,bmse000806,1
25,covalent,SING,C7,S39,,,,,16606,bmse000806,1
26,covalent,SING,C7,H53,,,,,16606,bmse000806,1
27,covalent,SING,C7,H54,,,,,16606,bmse000806,1
28,covalent,SING,S39,S40,,,,,16606,bmse000806,1
29,covalent,SING,N23,C5,,,,,16606,bmse000806,1
30,covalent,SING,N23,H65,,,,,16606,bmse000806,1
31,covalent,SING,C5,C15,,,,,16606,bmse000806,1
32,covalent,SING,C5,H49,,,,,16606,bmse000806,1
33,covalent,SING,C5,H50,,,,,16606,bmse000806,1
34,covalent,DOUB,C15,O29,,,,,16606,bmse000806,1
35,covalent,SING,C15,O30,,,,,16606,bmse000806,1
36,covalent,SING,O30,H69,,,,,16606,bmse000806,1
37,covalent,SING,N24,C6,,,,,16606,bmse000806,1
38,covalent,SING,N24,C18,,,,,16606,bmse000806,1
39,covalent,SING,N24,H66,,,,,16606,bmse000806,1
40,covalent,SING,C6,C16,,,,,16606,bmse000806,1
41,covalent,SING,C6,H51,,,,,16606,bmse000806,1
42,covalent,SING,C6,H52,,,,,16606,bmse000806,1
43,covalent,DOUB,C16,O31,,,,,16606,bmse000806,1
44,covalent,SING,C16,O32,,,,,16606,bmse000806,1
45,covalent,SING,O32,H70,,,,,16606,bmse000806,1
46,covalent,DOUB,C18,O34,,,,,16606,bmse000806,1
47,covalent,SING,C18,C12,,,,,16606,bmse000806,1
48,covalent,SING,C12,N26,,,,,16606,bmse000806,1
49,covalent,SING,C12,C8,,,,,16606,bmse000806,1
50,covalent,SING,C12,H60,,,,,16606,bmse000806,1
51,covalent,SING,N26,C14,,,,,16606,bmse000806,1
52,covalent,SING,N26,H68,,,,,16606,bmse000806,1
53,covalent,SING,C8,S40,,,,,16606,bmse000806,1
54,covalent,SING,C8,H55,,,,,16606,bmse000806,1
55,covalent,SING,C8,H56,,,,,16606,bmse000806,1
56,covalent,SING,C10,C20,,,,,16606,bmse000806,1
57,covalent,SING,C10,N22,,,,,16606,bmse000806,1
58,covalent,SING,C10,C2,,,,,16606,bmse000806,1
59,covalent,SING,C10,H58,,,,,16606,bmse000806,1
60,covalent,DOUB,C20,O37,,,,,16606,bmse000806,1
61,covalent,SING,C20,O38,,,,,16606,bmse000806,1
62,covalent,SING,O38,H72,,,,,16606,bmse000806,1
63,covalent,SING,N22,H63,,,,,16606,bmse000806,1
64,covalent,SING,N22,H64,,,,,16606,bmse000806,1
65,covalent,SING,C2,C4,,,,,16606,bmse000806,1
66,covalent,SING,C2,H43,,,,,16606,bmse000806,1
67,covalent,SING,C2,H44,,,,,16606,bmse000806,1
68,covalent,SING,C4,C14,,,,,16606,bmse000806,1
69,covalent,SING,C4,H47,,,,,16606,bmse000806,1
70,covalent,SING,C4,H48,,,,,16606,bmse000806,1
71,covalent,DOUB,C14,O28,,,,,16606,bmse000806,1
1,covalent,SING,C3,O6,,,,,16620,bmse000807,1
2,covalent,SING,C3,C1,,,,,16620,bmse000807,1
3,covalent,SING,C3,C2,,,,,16620,bmse000807,1
4,covalent,SING,C3,H11,,,,,16620,bmse000807,1
5,covalent,SING,O6,H14,,,,,16620,bmse000807,1
6,covalent,SING,O5,C2,,,,,16620,bmse000807,1
7,covalent,SING,O5,H13,,,,,16620,bmse000807,1
8,covalent,SING,O4,C1,,,,,16620,bmse000807,1
9,covalent,SING,O4,H12,,,,,16620,bmse000807,1
10,covalent,SING,C1,H7,,,,,16620,bmse000807,1
11,covalent,SING,C1,H8,,,,,16620,bmse000807,1
12,covalent,SING,C2,H9,,,,,16620,bmse000807,1
13,covalent,SING,C2,H10,,,,,16620,bmse000807,1
1,covalent,SING,C2,C3,,,,,16634,bmse000808,1
2,covalent,SING,C2,O12,,,,,16634,bmse000808,1
3,covalent,SING,C2,C1,,,,,16634,bmse000808,1
4,covalent,SING,C2,H15,,,,,16634,bmse000808,1
5,covalent,SING,C3,C4,,,,,16634,bmse000808,1
6,covalent,SING,C3,O8,,,,,16634,bmse000808,1
7,covalent,SING,C3,H16,,,,,16634,bmse000808,1
8,covalent,SING,O12,C6,,,,,16634,bmse000808,1
9,covalent,SING,C1,O7,,,,,16634,bmse000808,1
10,covalent,SING,C1,H13,,,,,16634,bmse000808,1
11,covalent,SING,C1,H14,,,,,16634,bmse000808,1
12,covalent,SING,C4,C5,,,,,16634,bmse000808,1
13,covalent,SING,C4,O9,,,,,16634,bmse000808,1
14,covalent,SING,C4,H17,,,,,16634,bmse000808,1
15,covalent,SING,O8,H21,,,,,16634,bmse000808,1
16,covalent,SING,C6,C5,,,,,16634,bmse000808,1
17,covalent,SING,C6,O11,,,,,16634,bmse000808,1
18,covalent,SING,C6,H19,,,,,16634,bmse000808,1
19,covalent,SING,O7,H20,,,,,16634,bmse000808,1
20,covalent,SING,C5,O10,,,,,16634,bmse000808,1
21,covalent,SING,C5,H18,,,,,16634,bmse000808,1
22,covalent,SING,O9,H22,,,,,16634,bmse000808,1
23,covalent,SING,O11,H24,,,,,16634,bmse000808,1
24,covalent,SING,O10,H23,,,,,16634,bmse000808,1
1,covalent,SING,C2,N4,,,,,16648,bmse000809,1
2,covalent,SING,N4,H11,,,,,16648,bmse000809,1
3,covalent,SING,N4,H12,,,,,16648,bmse000809,1
4,covalent,SING,C2,C3,,,,,16648,bmse000809,1
5,covalent,SING,C2,C1,,,,,16648,bmse000809,1
6,covalent,SING,C2,H10,,,,,16648,bmse000809,1
7,covalent,DOUB,C3,O6,,,,,16648,bmse000809,1
8,covalent,SING,C3,O7,,,,,16648,bmse000809,1
9,covalent,SING,C1,O5,,,,,16648,bmse000809,1
10,covalent,SING,C1,H8,,,,,16648,bmse000809,1
11,covalent,SING,C1,H9,,,,,16648,bmse000809,1
12,covalent,SING,O5,H13,,,,,16648,bmse000809,1
13,covalent,SING,O7,H14,,,,,16648,bmse000809,1
1,covalent,SING,C1,C2,,,,,16662,bmse000810,1
2,covalent,SING,C1,H11,,,,,16662,bmse000810,1
3,covalent,SING,C1,H9,,,,,16662,bmse000810,1
4,covalent,SING,C1,H10,,,,,16662,bmse000810,1
5,covalent,SING,C2,C3,,,,,16662,bmse000810,1
6,covalent,SING,C2,O6,,,,,16662,bmse000810,1
7,covalent,SING,C2,H12,,,,,16662,bmse000810,1
8,covalent,SING,C3,C4,,,,,16662,bmse000810,1
9,covalent,SING,C3,N5,,,,,16662,bmse000810,1
10,covalent,SING,C3,H13,,,,,16662,bmse000810,1
11,covalent,DOUB,C4,O7,,,,,16662,bmse000810,1
12,covalent,SING,C4,O8,,,,,16662,bmse000810,1
13,covalent,SING,O6,H16,,,,,16662,bmse000810,1
14,covalent,SING,N5,H14,,,,,16662,bmse000810,1
15,covalent,SING,N5,H15,,,,,16662,bmse000810,1
16,covalent,SING,O8,H17,,,,,16662,bmse000810,1
1,covalent,SING,C4,N6,,,,,16676,bmse000811,1
2,covalent,SING,N6,H17,,,,,16676,bmse000811,1
3,covalent,SING,N6,H18,,,,,16676,bmse000811,1
4,covalent,SING,C4,C5,,,,,16676,bmse000811,1
5,covalent,SING,C4,C3,,,,,16676,bmse000811,1
6,covalent,SING,C4,H16,,,,,16676,bmse000811,1
7,covalent,DOUB,C5,O7,,,,,16676,bmse000811,1
8,covalent,SING,C5,O8,,,,,16676,bmse000811,1
9,covalent,SING,C3,C1,,,,,16676,bmse000811,1
10,covalent,SING,C3,C2,,,,,16676,bmse000811,1
11,covalent,SING,C3,H15,,,,,16676,bmse000811,1
12,covalent,SING,C1,H9,,,,,16676,bmse000811,1
13,covalent,SING,C1,H11,,,,,16676,bmse000811,1
14,covalent,SING,C1,H10,,,,,16676,bmse000811,1
15,covalent,SING,C2,H13,,,,,16676,bmse000811,1
16,covalent,SING,C2,H14,,,,,16676,bmse000811,1
17,covalent,SING,C2,H12,,,,,16676,bmse000811,1
18,covalent,SING,O8,H19,,,,,16676,bmse000811,1
1,covalent,SING,N6,C3,,,,,16690,bmse000812,1
2,covalent,SING,N6,H18,,,,,16690,bmse000812,1
3,covalent,SING,N6,H19,,,,,16690,bmse000812,1
4,covalent,SING,C3,C1,,,,,16690,bmse000812,1
5,covalent,SING,C3,H14,,,,,16690,bmse000812,1
6,covalent,SING,C3,H15,,,,,16690,bmse000812,1
7,covalent,SING,C1,C2,,,,,16690,bmse000812,1
8,covalent,SING,C1,H10,,,,,16690,bmse000812,1
9,covalent,SING,C1,H11,,,,,16690,bmse000812,1
10,covalent,SING,C2,C4,,,,,16690,bmse000812,1
11,covalent,SING,C2,H12,,,,,16690,bmse000812,1
12,covalent,SING,C2,H13,,,,,16690,bmse000812,1
13,covalent,SING,C4,N9,,,,,16690,bmse000812,1
14,covalent,SING,C4,H16,,,,,16690,bmse000812,1
15,covalent,SING,C4,H17,,,,,16690,bmse000812,1
16,covalent,DOUB,N9,C5,,,,,16690,bmse000812,1
17,covalent,SING,C5,N7,,,,,16690,bmse000812,1
18,covalent,SING,C5,N8,,,,,16690,bmse000812,1
19,covalent,SING,N7,H20,,,,,16690,bmse000812,1
20,covalent,SING,N7,H21,,,,,16690,bmse000812,1
21,covalent,SING,N8,H22,,,,,16690,bmse000812,1
22,covalent,SING,N8,H23,,,,,16690,bmse000812,1
1,covalent,SING,C12,C9,,,,,16704,bmse000813,1
2,covalent,SING,C12,O23,,,,,16704,bmse000813,1
3,covalent,SING,C12,O22,,,,,16704,bmse000813,1
4,covalent,SING,C12,H37,,,,,16704,bmse000813,1
5,covalent,SING,C9,C6,,,,,16704,bmse000813,1
6,covalent,SING,C9,O19,,,,,16704,bmse000813,1
7,covalent,SING,C9,H34,,,,,16704,bmse000813,1
8,covalent,SING,C6,C5,,,,,16704,bmse000813,1
9,covalent,SING,C6,O16,,,,,16704,bmse000813,1
10,covalent,SING,C6,H31,,,,,16704,bmse000813,1
11,covalent,SING,C5,C3,,,,,16704,bmse000813,1
12,covalent,SING,C5,O15,,,,,16704,bmse000813,1
13,covalent,SING,C5,H30,,,,,16704,bmse000813,1
14,covalent,SING,C3,C1,,,,,16704,bmse000813,1
15,covalent,SING,C3,O22,,,,,16704,bmse000813,1
16,covalent,SING,C3,H28,,,,,16704,bmse000813,1
17,covalent,SING,C1,O13,,,,,16704,bmse000813,1
18,covalent,SING,C1,H24,,,,,16704,bmse000813,1
19,covalent,SING,C1,H25,,,,,16704,bmse000813,1
20,covalent,SING,O23,C10,,,,,16704,bmse000813,1
21,covalent,SING,O19,H44,,,,,16704,bmse000813,1
22,covalent,SING,O16,H41,,,,,16704,bmse000813,1
23,covalent,SING,O15,H40,,,,,16704,bmse000813,1
24,covalent,SING,O13,H38,,,,,16704,bmse000813,1
25,covalent,SING,C11,C8,,,,,16704,bmse000813,1
26,covalent,SING,C11,O20,,,,,16704,bmse000813,1
27,covalent,SING,C11,O21,,,,,16704,bmse000813,1
28,covalent,SING,C11,H36,,,,,16704,bmse000813,1
29,covalent,SING,C8,C7,,,,,16704,bmse000813,1
30,covalent,SING,C8,O18,,,,,16704,bmse000813,1
31,covalent,SING,C8,H33,,,,,16704,bmse000813,1
32,covalent,SING,C7,C10,,,,,16704,bmse000813,1
33,covalent,SING,C7,O17,,,,,16704,bmse000813,1
34,covalent,SING,C7,H32,,,,,16704,bmse000813,1
35,covalent,SING,C10,C4,,,,,16704,bmse000813,1
36,covalent,SING,C10,H35,,,,,16704,bmse000813,1
37,covalent,SING,C4,C2,,,,,16704,bmse000813,1
38,covalent,SING,C4,O21,,,,,16704,bmse000813,1
39,covalent,SING,C4,H29,,,,,16704,bmse000813,1
40,covalent,SING,C2,O14,,,,,16704,bmse000813,1
41,covalent,SING,C2,H26,,,,,16704,bmse000813,1
42,covalent,SING,C2,H27,,,,,16704,bmse000813,1
43,covalent,SING,O20,H45,,,,,16704,bmse000813,1
44,covalent,SING,O18,H43,,,,,16704,bmse000813,1
45,covalent,SING,O17,H42,,,,,16704,bmse000813,1
46,covalent,SING,O14,H39,,,,,16704,bmse000813,1
1,covalent,SING,N5,C3,,,,,16718,bmse000814,1
2,covalent,SING,N5,H15,,,,,16718,bmse000814,1
3,covalent,SING,N5,H16,,,,,16718,bmse000814,1
4,covalent,SING,N6,C4,,,,,16718,bmse000814,1
5,covalent,SING,N6,H17,,,,,16718,bmse000814,1
6,covalent,SING,N6,H18,,,,,16718,bmse000814,1
7,covalent,SING,C4,C2,,,,,16718,bmse000814,1
8,covalent,SING,C4,H13,,,,,16718,bmse000814,1
9,covalent,SING,C4,H14,,,,,16718,bmse000814,1
10,covalent,SING,C3,C1,,,,,16718,bmse000814,1
11,covalent,SING,C3,H11,,,,,16718,bmse000814,1
12,covalent,SING,C3,H12,,,,,16718,bmse000814,1
13,covalent,SING,C1,C2,,,,,16718,bmse000814,1
14,covalent,SING,C1,H7,,,,,16718,bmse000814,1
15,covalent,SING,C1,H8,,,,,16718,bmse000814,1
16,covalent,SING,C2,H9,,,,,16718,bmse000814,1
17,covalent,SING,C2,H10,,,,,16718,bmse000814,1
1,covalent,SING,C11,C9,,,,,16732,bmse000815,1
2,covalent,SING,C11,O23,,,,,16732,bmse000815,1
3,covalent,SING,C11,O21,,,,,16732,bmse000815,1
4,covalent,SING,C11,H36,,,,,16732,bmse000815,1
5,covalent,SING,C9,C7,,,,,16732,bmse000815,1
6,covalent,SING,C9,O19,,,,,16732,bmse000815,1
7,covalent,SING,C9,H34,,,,,16732,bmse000815,1
8,covalent,SING,C7,C5,,,,,16732,bmse000815,1
9,covalent,SING,C7,O17,,,,,16732,bmse000815,1
10,covalent,SING,C7,H32,,,,,16732,bmse000815,1
11,covalent,SING,C5,C3,,,,,16732,bmse000815,1
12,covalent,SING,C5,O15,,,,,16732,bmse000815,1
13,covalent,SING,C5,H30,,,,,16732,bmse000815,1
14,covalent,SING,C3,C1,,,,,16732,bmse000815,1
15,covalent,SING,C3,O21,,,,,16732,bmse000815,1
16,covalent,SING,C3,H28,,,,,16732,bmse000815,1
17,covalent,SING,C1,O13,,,,,16732,bmse000815,1
18,covalent,SING,C1,H24,,,,,16732,bmse000815,1
19,covalent,SING,C1,H25,,,,,16732,bmse000815,1
20,covalent,SING,O23,C12,,,,,16732,bmse000815,1
21,covalent,SING,O19,H44,,,,,16732,bmse000815,1
22,covalent,SING,O17,H42,,,,,16732,bmse000815,1
23,covalent,SING,O15,H40,,,,,16732,bmse000815,1
24,covalent,SING,O13,H38,,,,,16732,bmse000815,1
25,covalent,SING,C12,C10,,,,,16732,bmse000815,1
26,covalent,SING,C12,O22,,,,,16732,bmse000815,1
27,covalent,SING,C12,H37,,,,,16732,bmse000815,1
28,covalent,SING,C10,C8,,,,,16732,bmse000815,1
29,covalent,SING,C10,O20,,,,,16732,bmse000815,1
30,covalent,SING,C10,H35,,,,,16732,bmse000815,1
31,covalent,SING,C8,C6,,,,,16732,bmse000815,1
32,covalent,SING,C8,O18,,,,,16732,bmse000815,1
33,covalent,SING,C8,H33,,,,,16732,bmse000815,1
34,covalent,SING,C6,C4,,,,,16732,bmse000815,1
35,covalent,SING,C6,O16,,,,,16732,bmse000815,1
36,covalent,SING,C6,H31,,,,,16732,bmse000815,1
37,covalent,SING,C4,C2,,,,,16732,bmse000815,1
38,covalent,SING,C4,O22,,,,,16732,bmse000815,1
39,covalent,SING,C4,H29,,,,,16732,bmse000815,1
40,covalent,SING,C2,O14,,,,,16732,bmse000815,1
41,covalent,SING,C2,H26,,,,,16732,bmse000815,1
42,covalent,SING,C2,H27,,,,,16732,bmse000815,1
43,covalent,SING,O20,H45,,,,,16732,bmse000815,1
44,covalent,SING,O18,H43,,,,,16732,bmse000815,1
45,covalent,SING,O16,H41,,,,,16732,bmse000815,1
46,covalent,SING,O14,H39,,,,,16732,bmse000815,1
1,covalent,SING,H18,C1,,,,,16746,bmse000816,1
2,covalent,SING,H19,C2,,,,,16746,bmse000816,1
3,covalent,SING,H23,C6,,,,,16746,bmse000816,1
4,covalent,SING,H24,C7,,,,,16746,bmse000816,1
5,covalent,SING,H22,C4,,,,,16746,bmse000816,1
6,covalent,SING,H25,C8,,,,,16746,bmse000816,1
7,covalent,SING,H20,C3,,,,,16746,bmse000816,1
8,covalent,SING,H21,C3,,,,,16746,bmse000816,1
9,covalent,SING,H26,N10,,,,,16746,bmse000816,1
10,covalent,SING,H28,O14,,,,,16746,bmse000816,1
11,covalent,SING,H29,O15,,,,,16746,bmse000816,1
12,covalent,SING,H27,O12,,,,,16746,bmse000816,1
13,covalent,DOUB,C1,C2,,,,,16746,bmse000816,1
14,covalent,SING,C1,C5,,,,,16746,bmse000816,1
15,covalent,SING,C2,N11,,,,,16746,bmse000816,1
16,covalent,SING,C5,N10,,,,,16746,bmse000816,1
17,covalent,DOUB,C5,O13,,,,,16746,bmse000816,1
18,covalent,SING,C9,N10,,,,,16746,bmse000816,1
19,covalent,SING,C9,N11,,,,,16746,bmse000816,1
20,covalent,DOUB,C9,O16,,,,,16746,bmse000816,1
21,covalent,SING,C6,C7,,,,,16746,bmse000816,1
22,covalent,SING,C6,C4,,,,,16746,bmse000816,1
23,covalent,SING,C6,O14,,,,,16746,bmse000816,1
24,covalent,SING,C7,C8,,,,,16746,bmse000816,1
25,covalent,SING,C7,O15,,,,,16746,bmse000816,1
26,covalent,SING,C4,C3,,,,,16746,bmse000816,1
27,covalent,SING,C4,O17,,,,,16746,bmse000816,1
28,covalent,SING,C8,N11,,,,,16746,bmse000816,1
29,covalent,SING,C8,O17,,,,,16746,bmse000816,1
30,covalent,SING,C3,O12,,,,,16746,bmse000816,1
1,covalent,DOUB,C2,O3,,,,,16760,bmse000817,1
2,covalent,SING,C2,O4,,,,,16760,bmse000817,1
3,covalent,SING,C2,C1,,,,,16760,bmse000817,1
4,covalent,SING,O4,H8,,,,,16760,bmse000817,1
5,covalent,SING,C1,H6,,,,,16760,bmse000817,1
6,covalent,SING,C1,H7,,,,,16760,bmse000817,1
7,covalent,SING,C1,H5,,,,,16760,bmse000817,1
1,covalent,SING,C3,C2,,,,,16774,bmse000818,1
2,covalent,DOUB,C3,O5,,,,,16774,bmse000818,1
3,covalent,SING,C3,O6,,,,,16774,bmse000818,1
4,covalent,SING,C2,C1,,,,,16774,bmse000818,1
5,covalent,SING,C2,O4,,,,,16774,bmse000818,1
6,covalent,SING,C2,H10,,,,,16774,bmse000818,1
7,covalent,SING,C1,H7,,,,,16774,bmse000818,1
8,covalent,SING,C1,H9,,,,,16774,bmse000818,1
9,covalent,SING,C1,H8,,,,,16774,bmse000818,1
10,covalent,SING,O4,H11,,,,,16774,bmse000818,1
11,covalent,SING,O6,H12,,,,,16774,bmse000818,1
1,covalent,SING,C1,C2,,,,,16788,bmse000819,1
2,covalent,SING,C1,O3,,,,,16788,bmse000819,1
3,covalent,SING,C1,H8,,,,,16788,bmse000819,1
4,covalent,SING,C1,H9,,,,,16788,bmse000819,1
5,covalent,SING,C2,S7,,,,,16788,bmse000819,1
6,covalent,SING,C2,H10,,,,,16788,bmse000819,1
7,covalent,SING,C2,H11,,,,,16788,bmse000819,1
8,covalent,SING,O3,H12,,,,,16788,bmse000819,1
9,covalent,SING,O4,S7,,,,,16788,bmse000819,1
10,covalent,SING,O4,H13,,,,,16788,bmse000819,1
11,covalent,DOUB,O5,S7,,,,,16788,bmse000819,1
12,covalent,DOUB,O6,S7,,,,,16788,bmse000819,1
1,covalent,SING,O6,C4,,,,,16802,bmse000820,1
2,covalent,SING,O6,H16,,,,,16802,bmse000820,1
3,covalent,DOUB,O7,C4,,,,,16802,bmse000820,1
4,covalent,SING,N5,C3,,,,,16802,bmse000820,1
5,covalent,SING,N5,H14,,,,,16802,bmse000820,1
6,covalent,SING,N5,H15,,,,,16802,bmse000820,1
7,covalent,SING,C1,C2,,,,,16802,bmse000820,1
8,covalent,SING,C1,C3,,,,,16802,bmse000820,1
9,covalent,SING,C1,H8,,,,,16802,bmse000820,1
10,covalent,SING,C1,H9,,,,,16802,bmse000820,1
11,covalent,SING,C2,C4,,,,,16802,bmse000820,1
12,covalent,SING,C2,H10,,,,,16802,bmse000820,1
13,covalent,SING,C2,H11,,,,,16802,bmse000820,1
14,covalent,SING,C3,H12,,,,,16802,bmse000820,1
15,covalent,SING,C3,H13,,,,,16802,bmse000820,1
1,covalent,DOUB,O7,C4,,,,,16816,bmse000821,1
2,covalent,SING,O8,C5,,,,,16816,bmse000821,1
3,covalent,SING,O8,H16,,,,,16816,bmse000821,1
4,covalent,DOUB,O9,C5,,,,,16816,bmse000821,1
5,covalent,SING,N6,C3,,,,,16816,bmse000821,1
6,covalent,SING,N6,C4,,,,,16816,bmse000821,1
7,covalent,SING,N6,H15,,,,,16816,bmse000821,1
8,covalent,SING,C3,C1,,,,,16816,bmse000821,1
9,covalent,SING,C3,C5,,,,,16816,bmse000821,1
10,covalent,SING,C3,H14,,,,,16816,bmse000821,1
11,covalent,SING,C1,C2,,,,,16816,bmse000821,1
12,covalent,SING,C1,H10,,,,,16816,bmse000821,1
13,covalent,SING,C1,H11,,,,,16816,bmse000821,1
14,covalent,SING,C2,C4,,,,,16816,bmse000821,1
15,covalent,SING,C2,H12,,,,,16816,bmse000821,1
16,covalent,SING,C2,H13,,,,,16816,bmse000821,1
1,covalent,SING,As3,O4,,,,,16830,bmse000822,1
2,covalent,DOUB,As3,O5,,,,,16830,bmse000822,1
3,covalent,SING,As3,C1,,,,,16830,bmse000822,1
4,covalent,SING,As3,C2,,,,,16830,bmse000822,1
5,covalent,SING,O4,H12,,,,,16830,bmse000822,1
6,covalent,SING,C1,H7,,,,,16830,bmse000822,1
7,covalent,SING,C1,H8,,,,,16830,bmse000822,1
8,covalent,SING,C1,H6,,,,,16830,bmse000822,1
9,covalent,SING,C2,H11,,,,,16830,bmse000822,1
10,covalent,SING,C2,H9,,,,,16830,bmse000822,1
11,covalent,SING,C2,H10,,,,,16830,bmse000822,1
1,covalent,SING,C4,O19,,,,,16844,bmse000823,1
2,covalent,SING,C10,O19,,,,,16844,bmse000823,1
3,covalent,SING,O18,C10,,,,,16844,bmse000823,1
4,covalent,SING,O18,C1,,,,,16844,bmse000823,1
5,covalent,SING,O17,C2,,,,,16844,bmse000823,1
6,covalent,SING,O17,C9,,,,,16844,bmse000823,1
7,covalent,SING,C6,O13,,,,,16844,bmse000823,1
8,covalent,SING,O13,H34,,,,,16844,bmse000823,1
9,covalent,SING,C8,O15,,,,,16844,bmse000823,1
10,covalent,SING,O15,H36,,,,,16844,bmse000823,1
11,covalent,SING,C5,O12,,,,,16844,bmse000823,1
12,covalent,SING,O12,H33,,,,,16844,bmse000823,1
13,covalent,SING,C7,O14,,,,,16844,bmse000823,1
14,covalent,SING,O14,H35,,,,,16844,bmse000823,1
15,covalent,SING,C3,O11,,,,,16844,bmse000823,1
16,covalent,SING,O11,H32,,,,,16844,bmse000823,1
17,covalent,SING,O16,C9,,,,,16844,bmse000823,1
18,covalent,SING,O16,H37,,,,,16844,bmse000823,1
19,covalent,SING,C4,C6,,,,,16844,bmse000823,1
20,covalent,SING,C4,C2,,,,,16844,bmse000823,1
21,covalent,SING,C4,H25,,,,,16844,bmse000823,1
22,covalent,SING,C6,C7,,,,,16844,bmse000823,1
23,covalent,SING,C6,H27,,,,,16844,bmse000823,1
24,covalent,SING,C10,C8,,,,,16844,bmse000823,1
25,covalent,SING,C10,H31,,,,,16844,bmse000823,1
26,covalent,SING,C8,C5,,,,,16844,bmse000823,1
27,covalent,SING,C8,H29,,,,,16844,bmse000823,1
28,covalent,SING,C5,C3,,,,,16844,bmse000823,1
29,covalent,SING,C5,H26,,,,,16844,bmse000823,1
30,covalent,SING,C7,C9,,,,,16844,bmse000823,1
31,covalent,SING,C7,H28,,,,,16844,bmse000823,1
32,covalent,SING,C3,C1,,,,,16844,bmse000823,1
33,covalent,SING,C3,H24,,,,,16844,bmse000823,1
34,covalent,SING,C2,H22,,,,,16844,bmse000823,1
35,covalent,SING,C2,H23,,,,,16844,bmse000823,1
36,covalent,SING,C9,H30,,,,,16844,bmse000823,1
37,covalent,SING,C1,H20,,,,,16844,bmse000823,1
38,covalent,SING,C1,H21,,,,,16844,bmse000823,1
1,covalent,SING,P23,O21,,,,,16858,bmse000824,1
2,covalent,SING,P23,O18,,,,,16858,bmse000824,1
3,covalent,SING,P23,O19,,,,,16858,bmse000824,1
4,covalent,DOUB,P23,O20,,,,,16858,bmse000824,1
5,covalent,SING,O22,C6,,,,,16858,bmse000824,1
6,covalent,SING,O22,C5,,,,,16858,bmse000824,1
7,covalent,SING,C4,O16,,,,,16858,bmse000824,1
8,covalent,SING,O16,H35,,,,,16858,bmse000824,1
9,covalent,SING,O21,C2,,,,,16858,bmse000824,1
10,covalent,SING,O18,H36,,,,,16858,bmse000824,1
11,covalent,SING,O19,H37,,,,,16858,bmse000824,1
12,covalent,DOUB,O17,C9,,,,,16858,bmse000824,1
13,covalent,SING,C6,N15,,,,,16858,bmse000824,1
14,covalent,SING,N15,C8,,,,,16858,bmse000824,1
15,covalent,SING,N15,C3,,,,,16858,bmse000824,1
16,covalent,SING,N13,C8,,,,,16858,bmse000824,1
17,covalent,SING,N13,C10,,,,,16858,bmse000824,1
18,covalent,SING,N13,H34,,,,,16858,bmse000824,1
19,covalent,DOUB,N12,C3,,,,,16858,bmse000824,1
20,covalent,SING,N12,C7,,,,,16858,bmse000824,1
21,covalent,SING,N14,C9,,,,,16858,bmse000824,1
22,covalent,DOUB,N14,C10,,,,,16858,bmse000824,1
23,covalent,SING,N11,C10,,,,,16858,bmse000824,1
24,covalent,SING,N11,H32,,,,,16858,bmse000824,1
25,covalent,SING,N11,H33,,,,,16858,bmse000824,1
26,covalent,SING,C6,C1,,,,,16858,bmse000824,1
27,covalent,SING,C6,H31,,,,,16858,bmse000824,1
28,covalent,SING,C4,C1,,,,,16858,bmse000824,1
29,covalent,SING,C4,C5,,,,,16858,bmse000824,1
30,covalent,SING,C4,H29,,,,,16858,bmse000824,1
31,covalent,SING,C1,H24,,,,,16858,bmse000824,1
32,covalent,SING,C1,H25,,,,,16858,bmse000824,1
33,covalent,SING,C5,C2,,,,,16858,bmse000824,1
34,covalent,SING,C5,H30,,,,,16858,bmse000824,1
35,covalent,SING,C2,H26,,,,,16858,bmse000824,1
36,covalent,SING,C2,H27,,,,,16858,bmse000824,1
37,covalent,DOUB,C8,C7,,,,,16858,bmse000824,1
38,covalent,SING,C3,H28,,,,,16858,bmse000824,1
39,covalent,SING,C7,C9,,,,,16858,bmse000824,1
1,covalent,DOUB,O4,C2,,,,,16884,bmse000825,1
2,covalent,SING,N3,C2,,,,,16884,bmse000825,1
3,covalent,SING,N3,H8,,,,,16884,bmse000825,1
4,covalent,SING,N3,H9,,,,,16884,bmse000825,1
5,covalent,SING,C1,C2,,,,,16884,bmse000825,1
6,covalent,SING,C1,H6,,,,,16884,bmse000825,1
7,covalent,SING,C1,H7,,,,,16884,bmse000825,1
8,covalent,SING,C1,H5,,,,,16884,bmse000825,1
1,covalent,TRIP,N3,C2,,,,,16902,bmse000826,1
2,covalent,SING,C1,C2,,,,,16902,bmse000826,1
3,covalent,SING,C1,H4,,,,,16902,bmse000826,1
4,covalent,SING,C1,H5,,,,,16902,bmse000826,1
5,covalent,SING,C1,H6,,,,,16902,bmse000826,1
1,covalent,SING,O10,C8,,,,,16920,bmse000827,1
2,covalent,SING,O10,H28,,,,,16920,bmse000827,1
3,covalent,DOUB,O11,C8,,,,,16920,bmse000827,1
4,covalent,SING,N9,C7,,,,,16920,bmse000827,1
5,covalent,SING,N9,H26,,,,,16920,bmse000827,1
6,covalent,SING,N9,H27,,,,,16920,bmse000827,1
7,covalent,SING,C5,C4,,,,,16920,bmse000827,1
8,covalent,SING,C5,C6,,,,,16920,bmse000827,1
9,covalent,SING,C5,H21,,,,,16920,bmse000827,1
10,covalent,SING,C5,H22,,,,,16920,bmse000827,1
11,covalent,SING,C4,C3,,,,,16920,bmse000827,1
12,covalent,SING,C4,H19,,,,,16920,bmse000827,1
13,covalent,SING,C4,H20,,,,,16920,bmse000827,1
14,covalent,SING,C6,C7,,,,,16920,bmse000827,1
15,covalent,SING,C6,H23,,,,,16920,bmse000827,1
16,covalent,SING,C6,H24,,,,,16920,bmse000827,1
17,covalent,SING,C3,C2,,,,,16920,bmse000827,1
18,covalent,SING,C3,H17,,,,,16920,bmse000827,1
19,covalent,SING,C3,H18,,,,,16920,bmse000827,1
20,covalent,SING,C7,C8,,,,,16920,bmse000827,1
21,covalent,SING,C7,H25,,,,,16920,bmse000827,1
22,covalent,SING,C2,C1,,,,,16920,bmse000827,1
23,covalent,SING,C2,H15,,,,,16920,bmse000827,1
24,covalent,SING,C2,H16,,,,,16920,bmse000827,1
25,covalent,SING,C1,H14,,,,,16920,bmse000827,1
26,covalent,SING,C1,H12,,,,,16920,bmse000827,1
27,covalent,SING,C1,H13,,,,,16920,bmse000827,1
1,covalent,SING,O6,C4,,,,,16939,bmse000828,1
2,covalent,SING,O6,H16,,,,,16939,bmse000828,1
3,covalent,DOUB,O7,C4,,,,,16939,bmse000828,1
4,covalent,SING,N5,C2,,,,,16939,bmse000828,1
5,covalent,SING,N5,H14,,,,,16939,bmse000828,1
6,covalent,SING,N5,H15,,,,,16939,bmse000828,1
7,covalent,SING,C3,C2,,,,,16939,bmse000828,1
8,covalent,SING,C3,C1,,,,,16939,bmse000828,1
9,covalent,SING,C3,C4,,,,,16939,bmse000828,1
10,covalent,SING,C3,H13,,,,,16939,bmse000828,1
11,covalent,SING,C2,H11,,,,,16939,bmse000828,1
12,covalent,SING,C2,H12,,,,,16939,bmse000828,1
13,covalent,SING,C1,H10,,,,,16939,bmse000828,1
14,covalent,SING,C1,H9,,,,,16939,bmse000828,1
15,covalent,SING,C1,H8,,,,,16939,bmse000828,1
1,covalent,SING,C9,S15,,,,,16958,bmse000829,1
2,covalent,SING,S15,C4,,,,,16958,bmse000829,1
3,covalent,SING,O14,C5,,,,,16958,bmse000829,1
4,covalent,SING,O14,C9,,,,,16958,bmse000829,1
5,covalent,SING,C7,O12,,,,,16958,bmse000829,1
6,covalent,SING,O12,H32,,,,,16958,bmse000829,1
7,covalent,SING,C6,O11,,,,,16958,bmse000829,1
8,covalent,SING,O11,H31,,,,,16958,bmse000829,1
9,covalent,SING,O13,C8,,,,,16958,bmse000829,1
10,covalent,SING,O13,H33,,,,,16958,bmse000829,1
11,covalent,SING,O10,C3,,,,,16958,bmse000829,1
12,covalent,SING,O10,H30,,,,,16958,bmse000829,1
13,covalent,SING,C7,C6,,,,,16958,bmse000829,1
14,covalent,SING,C7,C8,,,,,16958,bmse000829,1
15,covalent,SING,C7,H27,,,,,16958,bmse000829,1
16,covalent,SING,C6,C5,,,,,16958,bmse000829,1
17,covalent,SING,C6,H26,,,,,16958,bmse000829,1
18,covalent,SING,C8,C9,,,,,16958,bmse000829,1
19,covalent,SING,C8,H28,,,,,16958,bmse000829,1
20,covalent,SING,C5,C3,,,,,16958,bmse000829,1
21,covalent,SING,C5,H25,,,,,16958,bmse000829,1
22,covalent,SING,C9,H29,,,,,16958,bmse000829,1
23,covalent,SING,C3,H22,,,,,16958,bmse000829,1
24,covalent,SING,C3,H23,,,,,16958,bmse000829,1
25,covalent,SING,C4,C1,,,,,16958,bmse000829,1
26,covalent,SING,C4,C2,,,,,16958,bmse000829,1
27,covalent,SING,C4,H24,,,,,16958,bmse000829,1
28,covalent,SING,C1,H17,,,,,16958,bmse000829,1
29,covalent,SING,C1,H16,,,,,16958,bmse000829,1
30,covalent,SING,C1,H18,,,,,16958,bmse000829,1
31,covalent,SING,C2,H19,,,,,16958,bmse000829,1
32,covalent,SING,C2,H21,,,,,16958,bmse000829,1
33,covalent,SING,C2,H20,,,,,16958,bmse000829,1
1,covalent,SING,O12,C8,,,,,16978,bmse000830,1
2,covalent,SING,O12,H29,,,,,16978,bmse000830,1
3,covalent,DOUB,O13,C8,,,,,16978,bmse000830,1
4,covalent,DOUB,O11,C6,,,,,16978,bmse000830,1
5,covalent,SING,C7,N10,,,,,16978,bmse000830,1
6,covalent,SING,N10,C6,,,,,16978,bmse000830,1
7,covalent,SING,N10,H28,,,,,16978,bmse000830,1
8,covalent,SING,N9,C5,,,,,16978,bmse000830,1
9,covalent,SING,N9,H26,,,,,16978,bmse000830,1
10,covalent,SING,N9,H27,,,,,16978,bmse000830,1
11,covalent,SING,C4,C2,,,,,16978,bmse000830,1
12,covalent,SING,C4,C7,,,,,16978,bmse000830,1
13,covalent,SING,C4,H21,,,,,16978,bmse000830,1
14,covalent,SING,C4,H22,,,,,16978,bmse000830,1
15,covalent,SING,C2,C3,,,,,16978,bmse000830,1
16,covalent,SING,C2,H17,,,,,16978,bmse000830,1
17,covalent,SING,C2,H18,,,,,16978,bmse000830,1
18,covalent,SING,C7,C8,,,,,16978,bmse000830,1
19,covalent,SING,C7,H25,,,,,16978,bmse000830,1
20,covalent,SING,C3,C5,,,,,16978,bmse000830,1
21,covalent,SING,C3,H19,,,,,16978,bmse000830,1
22,covalent,SING,C3,H20,,,,,16978,bmse000830,1
23,covalent,SING,C5,H23,,,,,16978,bmse000830,1
24,covalent,SING,C5,H24,,,,,16978,bmse000830,1
25,covalent,SING,C6,C1,,,,,16978,bmse000830,1
26,covalent,SING,C1,H16,,,,,16978,bmse000830,1
27,covalent,SING,C1,H14,,,,,16978,bmse000830,1
28,covalent,SING,C1,H15,,,,,16978,bmse000830,1
1,covalent,SING,O9,C6,,,,,16998,bmse000831,1
2,covalent,SING,O9,H15,,,,,16998,bmse000831,1
3,covalent,SING,O8,C5,,,,,16998,bmse000831,1
4,covalent,SING,O8,H14,,,,,16998,bmse000831,1
5,covalent,SING,O7,C4,,,,,16998,bmse000831,1
6,covalent,SING,O7,H13,,,,,16998,bmse000831,1
7,covalent,DOUB,C6,C5,,,,,16998,bmse000831,1
8,covalent,SING,C6,C3,,,,,16998,bmse000831,1
9,covalent,SING,C5,C2,,,,,16998,bmse000831,1
10,covalent,DOUB,C4,C3,,,,,16998,bmse000831,1
11,covalent,SING,C4,C1,,,,,16998,bmse000831,1
12,covalent,SING,C3,H12,,,,,16998,bmse000831,1
13,covalent,DOUB,C2,C1,,,,,16998,bmse000831,1
14,covalent,SING,C2,H11,,,,,16998,bmse000831,1
15,covalent,SING,C1,H10,,,,,16998,bmse000831,1
1,covalent,SING,C39,C29,,,,,17018,bmse000832,1
2,covalent,SING,C39,C37,,,,,17018,bmse000832,1
3,covalent,SING,C39,C7,,,,,17018,bmse000832,1
4,covalent,SING,C39,C8,,,,,17018,bmse000832,1
5,covalent,SING,C40,C30,,,,,17018,bmse000832,1
6,covalent,SING,C40,C38,,,,,17018,bmse000832,1
7,covalent,SING,C40,C9,,,,,17018,bmse000832,1
8,covalent,SING,C40,C10,,,,,17018,bmse000832,1
9,covalent,SING,C30,C16,,,,,17018,bmse000832,1
10,covalent,SING,C30,H95,,,,,17018,bmse000832,1
11,covalent,SING,C30,H96,,,,,17018,bmse000832,1
12,covalent,SING,C29,C15,,,,,17018,bmse000832,1
13,covalent,SING,C29,H93,,,,,17018,bmse000832,1
14,covalent,SING,C29,H94,,,,,17018,bmse000832,1
15,covalent,SING,C15,C23,,,,,17018,bmse000832,1
16,covalent,SING,C15,H75,,,,,17018,bmse000832,1
17,covalent,SING,C15,H76,,,,,17018,bmse000832,1
18,covalent,SING,C16,C24,,,,,17018,bmse000832,1
19,covalent,SING,C16,H77,,,,,17018,bmse000832,1
20,covalent,SING,C16,H78,,,,,17018,bmse000832,1
21,covalent,DOUB,C37,C35,,,,,17018,bmse000832,1
22,covalent,SING,C37,C27,,,,,17018,bmse000832,1
23,covalent,DOUB,C38,C36,,,,,17018,bmse000832,1
24,covalent,SING,C38,C28,,,,,17018,bmse000832,1
25,covalent,SING,C23,C35,,,,,17018,bmse000832,1
26,covalent,SING,C23,H85,,,,,17018,bmse000832,1
27,covalent,SING,C23,H86,,,,,17018,bmse000832,1
28,covalent,SING,C24,C36,,,,,17018,bmse000832,1
29,covalent,SING,C24,H87,,,,,17018,bmse000832,1
30,covalent,SING,C24,H88,,,,,17018,bmse000832,1
31,covalent,SING,C36,C6,,,,,17018,bmse000832,1
32,covalent,SING,C35,C5,,,,,17018,bmse000832,1
33,covalent,SING,C9,H65,,,,,17018,bmse000832,1
34,covalent,SING,C9,H67,,,,,17018,bmse000832,1
35,covalent,SING,C9,H66,,,,,17018,bmse000832,1
36,covalent,SING,C10,H70,,,,,17018,bmse000832,1
37,covalent,SING,C10,H68,,,,,17018,bmse000832,1
38,covalent,SING,C10,H69,,,,,17018,bmse000832,1
39,covalent,SING,C7,H59,,,,,17018,bmse000832,1
40,covalent,SING,C7,H61,,,,,17018,bmse000832,1
41,covalent,SING,C7,H60,,,,,17018,bmse000832,1
42,covalent,SING,C8,H62,,,,,17018,bmse000832,1
43,covalent,SING,C8,H64,,,,,17018,bmse000832,1
44,covalent,SING,C8,H63,,,,,17018,bmse000832,1
45,covalent,DOUB,C28,C26,,,,,17018,bmse000832,1
46,covalent,SING,C28,H92,,,,,17018,bmse000832,1
47,covalent,DOUB,C27,C25,,,,,17018,bmse000832,1
48,covalent,SING,C27,H91,,,,,17018,bmse000832,1
49,covalent,SING,C6,H57,,,,,17018,bmse000832,1
50,covalent,SING,C6,H58,,,,,17018,bmse000832,1
51,covalent,SING,C6,H56,,,,,17018,bmse000832,1
52,covalent,SING,C5,H53,,,,,17018,bmse000832,1
53,covalent,SING,C5,H54,,,,,17018,bmse000832,1
54,covalent,SING,C5,H55,,,,,17018,bmse000832,1
55,covalent,SING,C26,C34,,,,,17018,bmse000832,1
56,covalent,SING,C26,H90,,,,,17018,bmse000832,1
57,covalent,SING,C25,C33,,,,,17018,bmse000832,1
58,covalent,SING,C25,H89,,,,,17018,bmse000832,1
59,covalent,SING,C33,C3,,,,,17018,bmse000832,1
60,covalent,DOUB,C33,C21,,,,,17018,bmse000832,1
61,covalent,SING,C34,C4,,,,,17018,bmse000832,1
62,covalent,DOUB,C34,C22,,,,,17018,bmse000832,1
63,covalent,SING,C4,H51,,,,,17018,bmse000832,1
64,covalent,SING,C4,H52,,,,,17018,bmse000832,1
65,covalent,SING,C4,H50,,,,,17018,bmse000832,1
66,covalent,SING,C3,H47,,,,,17018,bmse000832,1
67,covalent,SING,C3,H48,,,,,17018,bmse000832,1
68,covalent,SING,C3,H49,,,,,17018,bmse000832,1
69,covalent,SING,C21,C13,,,,,17018,bmse000832,1
70,covalent,SING,C21,H83,,,,,17018,bmse000832,1
71,covalent,SING,C22,C14,,,,,17018,bmse000832,1
72,covalent,SING,C22,H84,,,,,17018,bmse000832,1
73,covalent,DOUB,C14,C20,,,,,17018,bmse000832,1
74,covalent,SING,C14,H74,,,,,17018,bmse000832,1
75,covalent,DOUB,C13,C19,,,,,17018,bmse000832,1
76,covalent,SING,C13,H73,,,,,17018,bmse000832,1
77,covalent,SING,C19,C31,,,,,17018,bmse000832,1
78,covalent,SING,C19,H81,,,,,17018,bmse000832,1
79,covalent,SING,C20,C32,,,,,17018,bmse000832,1
80,covalent,SING,C20,H82,,,,,17018,bmse000832,1
81,covalent,SING,C32,C2,,,,,17018,bmse000832,1
82,covalent,DOUB,C32,C18,,,,,17018,bmse000832,1
83,covalent,SING,C31,C1,,,,,17018,bmse000832,1
84,covalent,DOUB,C31,C17,,,,,17018,bmse000832,1
85,covalent,SING,C1,H42,,,,,17018,bmse000832,1
86,covalent,SING,C1,H43,,,,,17018,bmse000832,1
87,covalent,SING,C1,H41,,,,,17018,bmse000832,1
88,covalent,SING,C2,H45,,,,,17018,bmse000832,1
89,covalent,SING,C2,H46,,,,,17018,bmse000832,1
90,covalent,SING,C2,H44,,,,,17018,bmse000832,1
91,covalent,SING,C18,C12,,,,,17018,bmse000832,1
92,covalent,SING,C18,H80,,,,,17018,bmse000832,1
93,covalent,SING,C17,C11,,,,,17018,bmse000832,1
94,covalent,SING,C17,H79,,,,,17018,bmse000832,1
95,covalent,DOUB,C12,C11,,,,,17018,bmse000832,1
96,covalent,SING,C12,H72,,,,,17018,bmse000832,1
97,covalent,SING,C11,H71,,,,,17018,bmse000832,1
1,covalent,SING,C21,O26,,,,,17037,bmse000833,1
2,covalent,SING,O26,H67,,,,,17037,bmse000833,1
3,covalent,SING,C16,O25,,,,,17037,bmse000833,1
4,covalent,SING,O25,H66,,,,,17037,bmse000833,1
5,covalent,SING,O27,C22,,,,,17037,bmse000833,1
6,covalent,SING,O27,H68,,,,,17037,bmse000833,1
7,covalent,DOUB,O28,C22,,,,,17037,bmse000833,1
8,covalent,SING,C24,C19,,,,,17037,bmse000833,1
9,covalent,SING,C24,C18,,,,,17037,bmse000833,1
10,covalent,SING,C24,C21,,,,,17037,bmse000833,1
11,covalent,SING,C24,C3,,,,,17037,bmse000833,1
12,covalent,SING,C19,C17,,,,,17037,bmse000833,1
13,covalent,SING,C19,C8,,,,,17037,bmse000833,1
14,covalent,SING,C19,H63,,,,,17037,bmse000833,1
15,covalent,SING,C17,C20,,,,,17037,bmse000833,1
16,covalent,SING,C17,C6,,,,,17037,bmse000833,1
17,covalent,SING,C17,H61,,,,,17037,bmse000833,1
18,covalent,SING,C20,C23,,,,,17037,bmse000833,1
19,covalent,SING,C20,C13,,,,,17037,bmse000833,1
20,covalent,SING,C20,H64,,,,,17037,bmse000833,1
21,covalent,SING,C23,C15,,,,,17037,bmse000833,1
22,covalent,SING,C23,C11,,,,,17037,bmse000833,1
23,covalent,SING,C23,C2,,,,,17037,bmse000833,1
24,covalent,SING,C18,C7,,,,,17037,bmse000833,1
25,covalent,SING,C18,C14,,,,,17037,bmse000833,1
26,covalent,SING,C18,H62,,,,,17037,bmse000833,1
27,covalent,SING,C21,C13,,,,,17037,bmse000833,1
28,covalent,SING,C21,H65,,,,,17037,bmse000833,1
29,covalent,SING,C13,H56,,,,,17037,bmse000833,1
30,covalent,SING,C13,H57,,,,,17037,bmse000833,1
31,covalent,SING,C15,C5,,,,,17037,bmse000833,1
32,covalent,SING,C15,C12,,,,,17037,bmse000833,1
33,covalent,SING,C15,H59,,,,,17037,bmse000833,1
34,covalent,SING,C8,C7,,,,,17037,bmse000833,1
35,covalent,SING,C8,H46,,,,,17037,bmse000833,1
36,covalent,SING,C8,H47,,,,,17037,bmse000833,1
37,covalent,SING,C6,C5,,,,,17037,bmse000833,1
38,covalent,SING,C6,H42,,,,,17037,bmse000833,1
39,covalent,SING,C6,H43,,,,,17037,bmse000833,1
40,covalent,SING,C7,H44,,,,,17037,bmse000833,1
41,covalent,SING,C7,H45,,,,,17037,bmse000833,1
42,covalent,SING,C5,H40,,,,,17037,bmse000833,1
43,covalent,SING,C5,H41,,,,,17037,bmse000833,1
44,covalent,SING,C11,C10,,,,,17037,bmse000833,1
45,covalent,SING,C11,H52,,,,,17037,bmse000833,1
46,covalent,SING,C11,H53,,,,,17037,bmse000833,1
47,covalent,SING,C3,H35,,,,,17037,bmse000833,1
48,covalent,SING,C3,H37,,,,,17037,bmse000833,1
49,covalent,SING,C3,H36,,,,,17037,bmse000833,1
50,covalent,SING,C14,C4,,,,,17037,bmse000833,1
51,covalent,SING,C14,C1,,,,,17037,bmse000833,1
52,covalent,SING,C14,H58,,,,,17037,bmse000833,1
53,covalent,SING,C12,C16,,,,,17037,bmse000833,1
54,covalent,SING,C12,H54,,,,,17037,bmse000833,1
55,covalent,SING,C12,H55,,,,,17037,bmse000833,1
56,covalent,SING,C2,H32,,,,,17037,bmse000833,1
57,covalent,SING,C2,H34,,,,,17037,bmse000833,1
58,covalent,SING,C2,H33,,,,,17037,bmse000833,1
59,covalent,SING,C10,C16,,,,,17037,bmse000833,1
60,covalent,SING,C10,H50,,,,,17037,bmse000833,1
61,covalent,SING,C10,H51,,,,,17037,bmse000833,1
62,covalent,SING,C16,H60,,,,,17037,bmse000833,1
63,covalent,SING,C4,C9,,,,,17037,bmse000833,1
64,covalent,SING,C4,H38,,,,,17037,bmse000833,1
65,covalent,SING,C4,H39,,,,,17037,bmse000833,1
66,covalent,SING,C1,H29,,,,,17037,bmse000833,1
67,covalent,SING,C1,H30,,,,,17037,bmse000833,1
68,covalent,SING,C1,H31,,,,,17037,bmse000833,1
69,covalent,SING,C9,C22,,,,,17037,bmse000833,1
70,covalent,SING,C9,H48,,,,,17037,bmse000833,1
71,covalent,SING,C9,H49,,,,,17037,bmse000833,1
1,covalent,DOUB,C7,C3,,,,,17058,bmse000834,1
2,covalent,SING,C7,C4,,,,,17058,bmse000834,1
3,covalent,SING,C7,C1,,,,,17058,bmse000834,1
4,covalent,DOUB,C8,C5,,,,,17058,bmse000834,1
5,covalent,SING,C8,C6,,,,,17058,bmse000834,1
6,covalent,SING,C8,C2,,,,,17058,bmse000834,1
7,covalent,SING,C3,C5,,,,,17058,bmse000834,1
8,covalent,SING,C3,H15,,,,,17058,bmse000834,1
9,covalent,SING,C5,H17,,,,,17058,bmse000834,1
10,covalent,DOUB,C4,C6,,,,,17058,bmse000834,1
11,covalent,SING,C4,H16,,,,,17058,bmse000834,1
12,covalent,SING,C6,H18,,,,,17058,bmse000834,1
13,covalent,SING,C1,H9,,,,,17058,bmse000834,1
14,covalent,SING,C1,H10,,,,,17058,bmse000834,1
15,covalent,SING,C1,H11,,,,,17058,bmse000834,1
16,covalent,SING,C2,H12,,,,,17058,bmse000834,1
17,covalent,SING,C2,H13,,,,,17058,bmse000834,1
18,covalent,SING,C2,H14,,,,,17058,bmse000834,1
1,covalent,SING,Cl9,C6,,,,,17077,bmse000835,1
2,covalent,SING,N11,C5,,,,,17077,bmse000835,1
3,covalent,SING,N11,C8,,,,,17077,bmse000835,1
4,covalent,SING,N11,H28,,,,,17077,bmse000835,1
5,covalent,SING,N10,C4,,,,,17077,bmse000835,1
6,covalent,SING,N10,C7,,,,,17077,bmse000835,1
7,covalent,SING,N10,H27,,,,,17077,bmse000835,1
8,covalent,SING,N14,C8,,,,,17077,bmse000835,1
9,covalent,DOUB,N14,C7,,,,,17077,bmse000835,1
10,covalent,DOUB,N13,C8,,,,,17077,bmse000835,1
11,covalent,SING,N13,C6,,,,,17077,bmse000835,1
12,covalent,SING,N12,C7,,,,,17077,bmse000835,1
13,covalent,DOUB,N12,C6,,,,,17077,bmse000835,1
14,covalent,SING,C5,C2,,,,,17077,bmse000835,1
15,covalent,SING,C5,C3,,,,,17077,bmse000835,1
16,covalent,SING,C5,H26,,,,,17077,bmse000835,1
17,covalent,SING,C2,H20,,,,,17077,bmse000835,1
18,covalent,SING,C2,H19,,,,,17077,bmse000835,1
19,covalent,SING,C2,H18,,,,,17077,bmse000835,1
20,covalent,SING,C3,H23,,,,,17077,bmse000835,1
21,covalent,SING,C3,H22,,,,,17077,bmse000835,1
22,covalent,SING,C3,H21,,,,,17077,bmse000835,1
23,covalent,SING,C4,C1,,,,,17077,bmse000835,1
24,covalent,SING,C4,H24,,,,,17077,bmse000835,1
25,covalent,SING,C4,H25,,,,,17077,bmse000835,1
26,covalent,SING,C1,H15,,,,,17077,bmse000835,1
27,covalent,SING,C1,H16,,,,,17077,bmse000835,1
28,covalent,SING,C1,H17,,,,,17077,bmse000835,1
1,covalent,SING,I10,C6,,,,,17099,bmse000836,1
2,covalent,SING,I11,C7,,,,,17099,bmse000836,1
3,covalent,SING,O13,C9,,,,,17099,bmse000836,1
4,covalent,SING,O13,H18,,,,,17099,bmse000836,1
5,covalent,SING,N12,C8,,,,,17099,bmse000836,1
6,covalent,DOUB,N12,C3,,,,,17099,bmse000836,1
7,covalent,DOUB,C5,C8,,,,,17099,bmse000836,1
8,covalent,SING,C5,C6,,,,,17099,bmse000836,1
9,covalent,SING,C5,C2,,,,,17099,bmse000836,1
10,covalent,SING,C8,C9,,,,,17099,bmse000836,1
11,covalent,DOUB,C9,C7,,,,,17099,bmse000836,1
12,covalent,DOUB,C6,C4,,,,,17099,bmse000836,1
13,covalent,DOUB,C2,C1,,,,,17099,bmse000836,1
14,covalent,SING,C2,H15,,,,,17099,bmse000836,1
15,covalent,SING,C7,C4,,,,,17099,bmse000836,1
16,covalent,SING,C4,H17,,,,,17099,bmse000836,1
17,covalent,SING,C1,C3,,,,,17099,bmse000836,1
18,covalent,SING,C1,H14,,,,,17099,bmse000836,1
19,covalent,SING,C3,H16,,,,,17099,bmse000836,1
1,covalent,SING,C6,O8,,,,,17116,bmse000837,1
2,covalent,SING,O8,H20,,,,,17116,bmse000837,1
3,covalent,SING,C5,O7,,,,,17116,bmse000837,1
4,covalent,SING,O7,H19,,,,,17116,bmse000837,1
5,covalent,SING,C5,C6,,,,,17116,bmse000837,1
6,covalent,SING,C5,C3,,,,,17116,bmse000837,1
7,covalent,SING,C5,H17,,,,,17116,bmse000837,1
8,covalent,SING,C6,C4,,,,,17116,bmse000837,1
9,covalent,SING,C6,H18,,,,,17116,bmse000837,1
10,covalent,SING,C3,C1,,,,,17116,bmse000837,1
11,covalent,SING,C3,H13,,,,,17116,bmse000837,1
12,covalent,SING,C3,H14,,,,,17116,bmse000837,1
13,covalent,SING,C4,C2,,,,,17116,bmse000837,1
14,covalent,SING,C4,H15,,,,,17116,bmse000837,1
15,covalent,SING,C4,H16,,,,,17116,bmse000837,1
16,covalent,SING,C2,C1,,,,,17116,bmse000837,1
17,covalent,SING,C2,H11,,,,,17116,bmse000837,1
18,covalent,SING,C2,H12,,,,,17116,bmse000837,1
19,covalent,SING,C1,H9,,,,,17116,bmse000837,1
20,covalent,SING,C1,H10,,,,,17116,bmse000837,1
1,covalent,DOUB,O17,C12,,,,,17135,bmse000838,1
2,covalent,SING,O20,C14,,,,,17135,bmse000838,1
3,covalent,SING,O20,H35,,,,,17135,bmse000838,1
4,covalent,DOUB,O21,C14,,,,,17135,bmse000838,1
5,covalent,SING,O18,C13,,,,,17135,bmse000838,1
6,covalent,SING,O18,H34,,,,,17135,bmse000838,1
7,covalent,DOUB,O19,C13,,,,,17135,bmse000838,1
8,covalent,SING,N16,C11,,,,,17135,bmse000838,1
9,covalent,SING,N16,C12,,,,,17135,bmse000838,1
10,covalent,SING,N16,H33,,,,,17135,bmse000838,1
11,covalent,SING,N15,C10,,,,,17135,bmse000838,1
12,covalent,SING,N15,C7,,,,,17135,bmse000838,1
13,covalent,SING,N15,H32,,,,,17135,bmse000838,1
14,covalent,SING,C8,C9,,,,,17135,bmse000838,1
15,covalent,SING,C8,C5,,,,,17135,bmse000838,1
16,covalent,DOUB,C8,C7,,,,,17135,bmse000838,1
17,covalent,SING,C9,C10,,,,,17135,bmse000838,1
18,covalent,DOUB,C9,C3,,,,,17135,bmse000838,1
19,covalent,SING,C5,C12,,,,,17135,bmse000838,1
20,covalent,SING,C5,H26,,,,,17135,bmse000838,1
21,covalent,SING,C5,H27,,,,,17135,bmse000838,1
22,covalent,SING,C11,C6,,,,,17135,bmse000838,1
23,covalent,SING,C11,C14,,,,,17135,bmse000838,1
24,covalent,SING,C11,H31,,,,,17135,bmse000838,1
25,covalent,DOUB,C10,C4,,,,,17135,bmse000838,1
26,covalent,SING,C7,H30,,,,,17135,bmse000838,1
27,covalent,SING,C6,C13,,,,,17135,bmse000838,1
28,covalent,SING,C6,H28,,,,,17135,bmse000838,1
29,covalent,SING,C6,H29,,,,,17135,bmse000838,1
30,covalent,SING,C3,C1,,,,,17135,bmse000838,1
31,covalent,SING,C3,H24,,,,,17135,bmse000838,1
32,covalent,SING,C4,C2,,,,,17135,bmse000838,1
33,covalent,SING,C4,H25,,,,,17135,bmse000838,1
34,covalent,DOUB,C1,C2,,,,,17135,bmse000838,1
35,covalent,SING,C1,H22,,,,,17135,bmse000838,1
36,covalent,SING,C2,H23,,,,,17135,bmse000838,1
1,covalent,DOUB,O11,C10,,,,,17155,bmse000839,1
2,covalent,SING,C8,C4,,,,,17155,bmse000839,1
3,covalent,SING,C8,C6,,,,,17155,bmse000839,1
4,covalent,SING,C8,C3,,,,,17155,bmse000839,1
5,covalent,SING,C8,H27,,,,,17155,bmse000839,1
6,covalent,SING,C4,C5,,,,,17155,bmse000839,1
7,covalent,SING,C4,H21,,,,,17155,bmse000839,1
8,covalent,SING,C4,H22,,,,,17155,bmse000839,1
9,covalent,SING,C6,C10,,,,,17155,bmse000839,1
10,covalent,SING,C6,H25,,,,,17155,bmse000839,1
11,covalent,SING,C6,H26,,,,,17155,bmse000839,1
12,covalent,SING,C5,C9,,,,,17155,bmse000839,1
13,covalent,SING,C5,H23,,,,,17155,bmse000839,1
14,covalent,SING,C5,H24,,,,,17155,bmse000839,1
15,covalent,SING,C9,C10,,,,,17155,bmse000839,1
16,covalent,DOUB,C9,C7,,,,,17155,bmse000839,1
17,covalent,SING,C3,H19,,,,,17155,bmse000839,1
18,covalent,SING,C3,H18,,,,,17155,bmse000839,1
19,covalent,SING,C3,H20,,,,,17155,bmse000839,1
20,covalent,SING,C7,C1,,,,,17155,bmse000839,1
21,covalent,SING,C7,C2,,,,,17155,bmse000839,1
22,covalent,SING,C1,H14,,,,,17155,bmse000839,1
23,covalent,SING,C1,H13,,,,,17155,bmse000839,1
24,covalent,SING,C1,H12,,,,,17155,bmse000839,1
25,covalent,SING,C2,H15,,,,,17155,bmse000839,1
26,covalent,SING,C2,H16,,,,,17155,bmse000839,1
27,covalent,SING,C2,H17,,,,,17155,bmse000839,1
1,covalent,SING,S7,C1,,,,,17177,bmse000840,1
2,covalent,SING,S7,C3,,,,,17177,bmse000840,1
3,covalent,DOUB,S6,C3,,,,,17177,bmse000840,1
4,covalent,DOUB,O5,C2,,,,,17177,bmse000840,1
5,covalent,SING,N4,C2,,,,,17177,bmse000840,1
6,covalent,SING,N4,C3,,,,,17177,bmse000840,1
7,covalent,SING,N4,H10,,,,,17177,bmse000840,1
8,covalent,SING,C1,C2,,,,,17177,bmse000840,1
9,covalent,SING,C1,H8,,,,,17177,bmse000840,1
10,covalent,SING,C1,H9,,,,,17177,bmse000840,1
1,covalent,SING,Cl9,C6,,,,,17195,bmse000841,1
2,covalent,SING,Cl8,C5,,,,,17195,bmse000841,1
3,covalent,SING,Cl7,C4,,,,,17195,bmse000841,1
4,covalent,DOUB,C6,C5,,,,,17195,bmse000841,1
5,covalent,SING,C6,C3,,,,,17195,bmse000841,1
6,covalent,SING,C5,C2,,,,,17195,bmse000841,1
7,covalent,DOUB,C3,C4,,,,,17195,bmse000841,1
8,covalent,SING,C3,H12,,,,,17195,bmse000841,1
9,covalent,SING,C4,C1,,,,,17195,bmse000841,1
10,covalent,DOUB,C2,C1,,,,,17195,bmse000841,1
11,covalent,SING,C2,H11,,,,,17195,bmse000841,1
12,covalent,SING,C1,H10,,,,,17195,bmse000841,1
1,covalent,SING,O8,C3,,,,,17214,bmse000842,1
2,covalent,SING,O8,C2,,,,,17214,bmse000842,1
3,covalent,SING,O6,C5,,,,,17214,bmse000842,1
4,covalent,SING,O6,H12,,,,,17214,bmse000842,1
5,covalent,DOUB,O7,C5,,,,,17214,bmse000842,1
6,covalent,SING,C4,C1,,,,,17214,bmse000842,1
7,covalent,DOUB,C4,C3,,,,,17214,bmse000842,1
8,covalent,SING,C4,C5,,,,,17214,bmse000842,1
9,covalent,DOUB,C1,C2,,,,,17214,bmse000842,1
10,covalent,SING,C1,H9,,,,,17214,bmse000842,1
11,covalent,SING,C3,H11,,,,,17214,bmse000842,1
12,covalent,SING,C2,H10,,,,,17214,bmse000842,1
1,covalent,SING,O10,C8,,,,,17233,bmse000843,1
2,covalent,SING,O10,H18,,,,,17233,bmse000843,1
3,covalent,DOUB,O9,C5,,,,,17233,bmse000843,1
4,covalent,DOUB,C6,C8,,,,,17233,bmse000843,1
5,covalent,SING,C6,C3,,,,,17233,bmse000843,1
6,covalent,SING,C6,C1,,,,,17233,bmse000843,1
7,covalent,SING,C8,C7,,,,,17233,bmse000843,1
8,covalent,DOUB,C7,C4,,,,,17233,bmse000843,1
9,covalent,SING,C7,C5,,,,,17233,bmse000843,1
10,covalent,DOUB,C3,C2,,,,,17233,bmse000843,1
11,covalent,SING,C3,H15,,,,,17233,bmse000843,1
12,covalent,SING,C4,C2,,,,,17233,bmse000843,1
13,covalent,SING,C4,H16,,,,,17233,bmse000843,1
14,covalent,SING,C1,H13,,,,,17233,bmse000843,1
15,covalent,SING,C1,H12,,,,,17233,bmse000843,1
16,covalent,SING,C1,H11,,,,,17233,bmse000843,1
17,covalent,SING,C2,H14,,,,,17233,bmse000843,1
18,covalent,SING,C5,H17,,,,,17233,bmse000843,1
1,covalent,SING,C5,C3,,,,,17253,bmse000844,1
2,covalent,SING,C5,C4,,,,,17253,bmse000844,1
3,covalent,DOUB,C5,C2,,,,,17253,bmse000844,1
4,covalent,SING,C3,H11,,,,,17253,bmse000844,1
5,covalent,SING,C3,H10,,,,,17253,bmse000844,1
6,covalent,SING,C3,H12,,,,,17253,bmse000844,1
7,covalent,DOUB,C4,C1,,,,,17253,bmse000844,1
8,covalent,SING,C4,H13,,,,,17253,bmse000844,1
9,covalent,SING,C2,H8,,,,,17253,bmse000844,1
10,covalent,SING,C2,H9,,,,,17253,bmse000844,1
11,covalent,SING,C1,H6,,,,,17253,bmse000844,1
12,covalent,SING,C1,H7,,,,,17253,bmse000844,1
1,covalent,SING,Cl17,C14,,,,,17273,bmse000845,1
2,covalent,SING,Cl18,C14,,,,,17273,bmse000845,1
3,covalent,SING,Cl15,C11,,,,,17273,bmse000845,1
4,covalent,SING,Cl16,C12,,,,,17273,bmse000845,1
5,covalent,SING,C13,C10,,,,,17273,bmse000845,1
6,covalent,SING,C13,C9,,,,,17273,bmse000845,1
7,covalent,SING,C13,C14,,,,,17273,bmse000845,1
8,covalent,SING,C13,H27,,,,,17273,bmse000845,1
9,covalent,DOUB,C10,C3,,,,,17273,bmse000845,1
10,covalent,SING,C10,C4,,,,,17273,bmse000845,1
11,covalent,DOUB,C9,C1,,,,,17273,bmse000845,1
12,covalent,SING,C9,C2,,,,,17273,bmse000845,1
13,covalent,SING,C14,H28,,,,,17273,bmse000845,1
14,covalent,SING,C1,C5,,,,,17273,bmse000845,1
15,covalent,SING,C1,H19,,,,,17273,bmse000845,1
16,covalent,SING,C3,C7,,,,,17273,bmse000845,1
17,covalent,SING,C3,H21,,,,,17273,bmse000845,1
18,covalent,DOUB,C2,C6,,,,,17273,bmse000845,1
19,covalent,SING,C2,H20,,,,,17273,bmse000845,1
20,covalent,DOUB,C4,C8,,,,,17273,bmse000845,1
21,covalent,SING,C4,H22,,,,,17273,bmse000845,1
22,covalent,DOUB,C7,C12,,,,,17273,bmse000845,1
23,covalent,SING,C7,H25,,,,,17273,bmse000845,1
24,covalent,DOUB,C5,C11,,,,,17273,bmse000845,1
25,covalent,SING,C5,H23,,,,,17273,bmse000845,1
26,covalent,SING,C8,C12,,,,,17273,bmse000845,1
27,covalent,SING,C8,H26,,,,,17273,bmse000845,1
28,covalent,SING,C6,C11,,,,,17273,bmse000845,1
29,covalent,SING,C6,H24,,,,,17273,bmse000845,1
1,covalent,SING,O15,C11,,,,,17293,bmse000846,1
2,covalent,SING,O15,C3,,,,,17293,bmse000846,1
3,covalent,SING,O16,C12,,,,,17293,bmse000846,1
4,covalent,SING,O16,C4,,,,,17293,bmse000846,1
5,covalent,DOUB,O13,C11,,,,,17293,bmse000846,1
6,covalent,DOUB,O14,C12,,,,,17293,bmse000846,1
7,covalent,SING,C10,C9,,,,,17293,bmse000846,1
8,covalent,DOUB,C10,C8,,,,,17293,bmse000846,1
9,covalent,SING,C10,C12,,,,,17293,bmse000846,1
10,covalent,DOUB,C9,C7,,,,,17293,bmse000846,1
11,covalent,SING,C9,C11,,,,,17293,bmse000846,1
12,covalent,SING,C7,C5,,,,,17293,bmse000846,1
13,covalent,SING,C7,H29,,,,,17293,bmse000846,1
14,covalent,SING,C8,C6,,,,,17293,bmse000846,1
15,covalent,SING,C8,H30,,,,,17293,bmse000846,1
16,covalent,DOUB,C5,C6,,,,,17293,bmse000846,1
17,covalent,SING,C5,H27,,,,,17293,bmse000846,1
18,covalent,SING,C6,H28,,,,,17293,bmse000846,1
19,covalent,SING,C3,C1,,,,,17293,bmse000846,1
20,covalent,SING,C3,H23,,,,,17293,bmse000846,1
21,covalent,SING,C3,H24,,,,,17293,bmse000846,1
22,covalent,SING,C4,C2,,,,,17293,bmse000846,1
23,covalent,SING,C4,H25,,,,,17293,bmse000846,1
24,covalent,SING,C4,H26,,,,,17293,bmse000846,1
25,covalent,SING,C1,H19,,,,,17293,bmse000846,1
26,covalent,SING,C1,H18,,,,,17293,bmse000846,1
27,covalent,SING,C1,H17,,,,,17293,bmse000846,1
28,covalent,SING,C2,H22,,,,,17293,bmse000846,1
29,covalent,SING,C2,H21,,,,,17293,bmse000846,1
30,covalent,SING,C2,H20,,,,,17293,bmse000846,1
1,covalent,SING,O12,C10,,,,,17315,bmse000847,1
2,covalent,SING,O12,H34,,,,,17315,bmse000847,1
3,covalent,SING,O14,C11,,,,,17315,bmse000847,1
4,covalent,SING,O14,H35,,,,,17315,bmse000847,1
5,covalent,DOUB,O13,C10,,,,,17315,bmse000847,1
6,covalent,DOUB,O15,C11,,,,,17315,bmse000847,1
7,covalent,SING,C1,C2,,,,,17315,bmse000847,1
8,covalent,SING,C1,C3,,,,,17315,bmse000847,1
9,covalent,SING,C1,H16,,,,,17315,bmse000847,1
10,covalent,SING,C1,H17,,,,,17315,bmse000847,1
11,covalent,SING,C2,C4,,,,,17315,bmse000847,1
12,covalent,SING,C2,H18,,,,,17315,bmse000847,1
13,covalent,SING,C2,H19,,,,,17315,bmse000847,1
14,covalent,SING,C3,C5,,,,,17315,bmse000847,1
15,covalent,SING,C3,H20,,,,,17315,bmse000847,1
16,covalent,SING,C3,H21,,,,,17315,bmse000847,1
17,covalent,SING,C4,C6,,,,,17315,bmse000847,1
18,covalent,SING,C4,H22,,,,,17315,bmse000847,1
19,covalent,SING,C4,H23,,,,,17315,bmse000847,1
20,covalent,SING,C5,C7,,,,,17315,bmse000847,1
21,covalent,SING,C5,H24,,,,,17315,bmse000847,1
22,covalent,SING,C5,H25,,,,,17315,bmse000847,1
23,covalent,SING,C6,C8,,,,,17315,bmse000847,1
24,covalent,SING,C6,H26,,,,,17315,bmse000847,1
25,covalent,SING,C6,H27,,,,,17315,bmse000847,1
26,covalent,SING,C7,C9,,,,,17315,bmse000847,1
27,covalent,SING,C7,H28,,,,,17315,bmse000847,1
28,covalent,SING,C7,H29,,,,,17315,bmse000847,1
29,covalent,SING,C8,C10,,,,,17315,bmse000847,1
30,covalent,SING,C8,H30,,,,,17315,bmse000847,1
31,covalent,SING,C8,H31,,,,,17315,bmse000847,1
32,covalent,SING,C9,C11,,,,,17315,bmse000847,1
33,covalent,SING,C9,H32,,,,,17315,bmse000847,1
34,covalent,SING,C9,H33,,,,,17315,bmse000847,1
1,covalent,SING,S8,C4,,,,,17333,bmse000848,1
2,covalent,SING,S8,C3,,,,,17333,bmse000848,1
3,covalent,SING,O6,C5,,,,,17333,bmse000848,1
4,covalent,SING,O6,H12,,,,,17333,bmse000848,1
5,covalent,DOUB,O7,C5,,,,,17333,bmse000848,1
6,covalent,DOUB,C4,C2,,,,,17333,bmse000848,1
7,covalent,SING,C4,C5,,,,,17333,bmse000848,1
8,covalent,SING,C2,C1,,,,,17333,bmse000848,1
9,covalent,SING,C2,H10,,,,,17333,bmse000848,1
10,covalent,DOUB,C1,C3,,,,,17333,bmse000848,1
11,covalent,SING,C1,H9,,,,,17333,bmse000848,1
12,covalent,SING,C3,H11,,,,,17333,bmse000848,1
1,covalent,SING,C38,O47,,,,,17351,bmse000849,1
2,covalent,SING,O47,C43,,,,,17351,bmse000849,1
3,covalent,DOUB,O46,C43,,,,,17351,bmse000849,1
4,covalent,SING,C45,C41,,,,,17351,bmse000849,1
5,covalent,SING,C45,C40,,,,,17351,bmse000849,1
6,covalent,SING,C45,C33,,,,,17351,bmse000849,1
7,covalent,SING,C45,C6,,,,,17351,bmse000849,1
8,covalent,SING,C41,C39,,,,,17351,bmse000849,1
9,covalent,SING,C41,C29,,,,,17351,bmse000849,1
10,covalent,SING,C41,H126,,,,,17351,bmse000849,1
11,covalent,SING,C39,C42,,,,,17351,bmse000849,1
12,covalent,SING,C39,C27,,,,,17351,bmse000849,1
13,covalent,SING,C39,H124,,,,,17351,bmse000849,1
14,covalent,SING,C42,C44,,,,,17351,bmse000849,1
15,covalent,SING,C42,C31,,,,,17351,bmse000849,1
16,covalent,SING,C42,H127,,,,,17351,bmse000849,1
17,covalent,SING,C40,C28,,,,,17351,bmse000849,1
18,covalent,SING,C40,C36,,,,,17351,bmse000849,1
19,covalent,SING,C40,H125,,,,,17351,bmse000849,1
20,covalent,SING,C33,C31,,,,,17351,bmse000849,1
21,covalent,SING,C33,H117,,,,,17351,bmse000849,1
22,covalent,SING,C33,H118,,,,,17351,bmse000849,1
23,covalent,SING,C44,C37,,,,,17351,bmse000849,1
24,covalent,SING,C44,C32,,,,,17351,bmse000849,1
25,covalent,SING,C44,C5,,,,,17351,bmse000849,1
26,covalent,SING,C29,C28,,,,,17351,bmse000849,1
27,covalent,SING,C29,H109,,,,,17351,bmse000849,1
28,covalent,SING,C29,H110,,,,,17351,bmse000849,1
29,covalent,SING,C31,H113,,,,,17351,bmse000849,1
30,covalent,SING,C31,H114,,,,,17351,bmse000849,1
31,covalent,SING,C28,H107,,,,,17351,bmse000849,1
32,covalent,SING,C28,H108,,,,,17351,bmse000849,1
33,covalent,SING,C27,C26,,,,,17351,bmse000849,1
34,covalent,SING,C27,H105,,,,,17351,bmse000849,1
35,covalent,SING,C27,H106,,,,,17351,bmse000849,1
36,covalent,SING,C36,C24,,,,,17351,bmse000849,1
37,covalent,SING,C36,C4,,,,,17351,bmse000849,1
38,covalent,SING,C36,H122,,,,,17351,bmse000849,1
39,covalent,SING,C6,H63,,,,,17351,bmse000849,1
40,covalent,SING,C6,H64,,,,,17351,bmse000849,1
41,covalent,SING,C6,H65,,,,,17351,bmse000849,1
42,covalent,DOUB,C37,C26,,,,,17351,bmse000849,1
43,covalent,SING,C37,C34,,,,,17351,bmse000849,1
44,covalent,SING,C32,C30,,,,,17351,bmse000849,1
45,covalent,SING,C32,H115,,,,,17351,bmse000849,1
46,covalent,SING,C32,H116,,,,,17351,bmse000849,1
47,covalent,SING,C26,H104,,,,,17351,bmse000849,1
48,covalent,SING,C5,H60,,,,,17351,bmse000849,1
49,covalent,SING,C5,H62,,,,,17351,bmse000849,1
50,covalent,SING,C5,H61,,,,,17351,bmse000849,1
51,covalent,SING,C34,C38,,,,,17351,bmse000849,1
52,covalent,SING,C34,H119,,,,,17351,bmse000849,1
53,covalent,SING,C34,H120,,,,,17351,bmse000849,1
54,covalent,SING,C30,C38,,,,,17351,bmse000849,1
55,covalent,SING,C30,H111,,,,,17351,bmse000849,1
56,covalent,SING,C30,H112,,,,,17351,bmse000849,1
57,covalent,SING,C24,C22,,,,,17351,bmse000849,1
58,covalent,SING,C24,H100,,,,,17351,bmse000849,1
59,covalent,SING,C24,H101,,,,,17351,bmse000849,1
60,covalent,SING,C38,H123,,,,,17351,bmse000849,1
61,covalent,SING,C4,H57,,,,,17351,bmse000849,1
62,covalent,SING,C4,H58,,,,,17351,bmse000849,1
63,covalent,SING,C4,H59,,,,,17351,bmse000849,1
64,covalent,SING,C22,C23,,,,,17351,bmse000849,1
65,covalent,SING,C22,H96,,,,,17351,bmse000849,1
66,covalent,SING,C22,H97,,,,,17351,bmse000849,1
67,covalent,SING,C23,C35,,,,,17351,bmse000849,1
68,covalent,SING,C23,H98,,,,,17351,bmse000849,1
69,covalent,SING,C23,H99,,,,,17351,bmse000849,1
70,covalent,SING,C35,C2,,,,,17351,bmse000849,1
71,covalent,SING,C35,C3,,,,,17351,bmse000849,1
72,covalent,SING,C35,H121,,,,,17351,bmse000849,1
73,covalent,SING,C43,C25,,,,,17351,bmse000849,1
74,covalent,SING,C25,C21,,,,,17351,bmse000849,1
75,covalent,SING,C25,H102,,,,,17351,bmse000849,1
76,covalent,SING,C25,H103,,,,,17351,bmse000849,1
77,covalent,SING,C2,H53,,,,,17351,bmse000849,1
78,covalent,SING,C2,H51,,,,,17351,bmse000849,1
79,covalent,SING,C2,H52,,,,,17351,bmse000849,1
80,covalent,SING,C3,H56,,,,,17351,bmse000849,1
81,covalent,SING,C3,H55,,,,,17351,bmse000849,1
82,covalent,SING,C3,H54,,,,,17351,bmse000849,1
83,covalent,SING,C21,C20,,,,,17351,bmse000849,1
84,covalent,SING,C21,H94,,,,,17351,bmse000849,1
85,covalent,SING,C21,H95,,,,,17351,bmse000849,1
86,covalent,SING,C20,C19,,,,,17351,bmse000849,1
87,covalent,SING,C20,H92,,,,,17351,bmse000849,1
88,covalent,SING,C20,H93,,,,,17351,bmse000849,1
89,covalent,SING,C19,C18,,,,,17351,bmse000849,1
90,covalent,SING,C19,H90,,,,,17351,bmse000849,1
91,covalent,SING,C19,H91,,,,,17351,bmse000849,1
92,covalent,SING,C18,C17,,,,,17351,bmse000849,1
93,covalent,SING,C18,H88,,,,,17351,bmse000849,1
94,covalent,SING,C18,H89,,,,,17351,bmse000849,1
95,covalent,SING,C17,C16,,,,,17351,bmse000849,1
96,covalent,SING,C17,H86,,,,,17351,bmse000849,1
97,covalent,SING,C17,H87,,,,,17351,bmse000849,1
98,covalent,SING,C16,C15,,,,,17351,bmse000849,1
99,covalent,SING,C16,H84,,,,,17351,bmse000849,1
100,covalent,SING,C16,H85,,,,,17351,bmse000849,1
101,covalent,SING,C15,C14,,,,,17351,bmse000849,1
102,covalent,SING,C15,H82,,,,,17351,bmse000849,1
103,covalent,SING,C15,H83,,,,,17351,bmse000849,1
104,covalent,SING,C14,C13,,,,,17351,bmse000849,1
105,covalent,SING,C14,H80,,,,,17351,bmse000849,1
106,covalent,SING,C14,H81,,,,,17351,bmse000849,1
107,covalent,SING,C13,C12,,,,,17351,bmse000849,1
108,covalent,SING,C13,H78,,,,,17351,bmse000849,1
109,covalent,SING,C13,H79,,,,,17351,bmse000849,1
110,covalent,SING,C12,C11,,,,,17351,bmse000849,1
111,covalent,SING,C12,H76,,,,,17351,bmse000849,1
112,covalent,SING,C12,H77,,,,,17351,bmse000849,1
113,covalent,SING,C11,C10,,,,,17351,bmse000849,1
114,covalent,SING,C11,H74,,,,,17351,bmse000849,1
115,covalent,SING,C11,H75,,,,,17351,bmse000849,1
116,covalent,SING,C10,C9,,,,,17351,bmse000849,1
117,covalent,SING,C10,H72,,,,,17351,bmse000849,1
118,covalent,SING,C10,H73,,,,,17351,bmse000849,1
119,covalent,SING,C9,C8,,,,,17351,bmse000849,1
120,covalent,SING,C9,H70,,,,,17351,bmse000849,1
121,covalent,SING,C9,H71,,,,,17351,bmse000849,1
122,covalent,SING,C8,C7,,,,,17351,bmse000849,1
123,covalent,SING,C8,H68,,,,,17351,bmse000849,1
124,covalent,SING,C8,H69,,,,,17351,bmse000849,1
125,covalent,SING,C7,C1,,,,,17351,bmse000849,1
126,covalent,SING,C7,H66,,,,,17351,bmse000849,1
127,covalent,SING,C7,H67,,,,,17351,bmse000849,1
128,covalent,SING,C1,H48,,,,,17351,bmse000849,1
129,covalent,SING,C1,H49,,,,,17351,bmse000849,1
130,covalent,SING,C1,H50,,,,,17351,bmse000849,1
1,covalent,SING,C18,O21,,,,,17371,bmse000850,1
2,covalent,SING,O21,H58,,,,,17371,bmse000850,1
3,covalent,SING,O20,C16,,,,,17371,bmse000850,1
4,covalent,SING,O20,H57,,,,,17371,bmse000850,1
5,covalent,SING,C17,N19,,,,,17371,bmse000850,1
6,covalent,SING,N19,H55,,,,,17371,bmse000850,1
7,covalent,SING,N19,H56,,,,,17371,bmse000850,1
8,covalent,SING,C8,C7,,,,,17371,bmse000850,1
9,covalent,SING,C8,C9,,,,,17371,bmse000850,1
10,covalent,SING,C8,H37,,,,,17371,bmse000850,1
11,covalent,SING,C8,H38,,,,,17371,bmse000850,1
12,covalent,SING,C7,C6,,,,,17371,bmse000850,1
13,covalent,SING,C7,H35,,,,,17371,bmse000850,1
14,covalent,SING,C7,H36,,,,,17371,bmse000850,1
15,covalent,SING,C9,C10,,,,,17371,bmse000850,1
16,covalent,SING,C9,H39,,,,,17371,bmse000850,1
17,covalent,SING,C9,H40,,,,,17371,bmse000850,1
18,covalent,SING,C6,C5,,,,,17371,bmse000850,1
19,covalent,SING,C6,H33,,,,,17371,bmse000850,1
20,covalent,SING,C6,H34,,,,,17371,bmse000850,1
21,covalent,SING,C10,C11,,,,,17371,bmse000850,1
22,covalent,SING,C10,H41,,,,,17371,bmse000850,1
23,covalent,SING,C10,H42,,,,,17371,bmse000850,1
24,covalent,SING,C5,C4,,,,,17371,bmse000850,1
25,covalent,SING,C5,H31,,,,,17371,bmse000850,1
26,covalent,SING,C5,H32,,,,,17371,bmse000850,1
27,covalent,SING,C11,C12,,,,,17371,bmse000850,1
28,covalent,SING,C11,H43,,,,,17371,bmse000850,1
29,covalent,SING,C11,H44,,,,,17371,bmse000850,1
30,covalent,SING,C4,C3,,,,,17371,bmse000850,1
31,covalent,SING,C4,H29,,,,,17371,bmse000850,1
32,covalent,SING,C4,H30,,,,,17371,bmse000850,1
33,covalent,SING,C12,C13,,,,,17371,bmse000850,1
34,covalent,SING,C12,H45,,,,,17371,bmse000850,1
35,covalent,SING,C12,H46,,,,,17371,bmse000850,1
36,covalent,SING,C3,C2,,,,,17371,bmse000850,1
37,covalent,SING,C3,H27,,,,,17371,bmse000850,1
38,covalent,SING,C3,H28,,,,,17371,bmse000850,1
39,covalent,SING,C13,C14,,,,,17371,bmse000850,1
40,covalent,SING,C13,H47,,,,,17371,bmse000850,1
41,covalent,SING,C13,H48,,,,,17371,bmse000850,1
42,covalent,SING,C2,C1,,,,,17371,bmse000850,1
43,covalent,SING,C2,H25,,,,,17371,bmse000850,1
44,covalent,SING,C2,H26,,,,,17371,bmse000850,1
45,covalent,DOUB,C14,C15,,,,,17371,bmse000850,1
46,covalent,SING,C14,H49,,,,,17371,bmse000850,1
47,covalent,SING,C18,C17,,,,,17371,bmse000850,1
48,covalent,SING,C18,C15,,,,,17371,bmse000850,1
49,covalent,SING,C18,H54,,,,,17371,bmse000850,1
50,covalent,SING,C17,C16,,,,,17371,bmse000850,1
51,covalent,SING,C17,H53,,,,,17371,bmse000850,1
52,covalent,SING,C15,H50,,,,,17371,bmse000850,1
53,covalent,SING,C1,H24,,,,,17371,bmse000850,1
54,covalent,SING,C1,H22,,,,,17371,bmse000850,1
55,covalent,SING,C1,H23,,,,,17371,bmse000850,1
56,covalent,SING,C16,H51,,,,,17371,bmse000850,1
57,covalent,SING,C16,H52,,,,,17371,bmse000850,1
1,covalent,DOUB,O9,C8,,,,,17390,bmse000851,1
2,covalent,SING,C4,C5,,,,,17390,bmse000851,1
3,covalent,SING,C4,C3,,,,,17390,bmse000851,1
4,covalent,SING,C4,H17,,,,,17390,bmse000851,1
5,covalent,SING,C4,H18,,,,,17390,bmse000851,1
6,covalent,SING,C5,C6,,,,,17390,bmse000851,1
7,covalent,SING,C5,H19,,,,,17390,bmse000851,1
8,covalent,SING,C5,H20,,,,,17390,bmse000851,1
9,covalent,SING,C3,C2,,,,,17390,bmse000851,1
10,covalent,SING,C3,H15,,,,,17390,bmse000851,1
11,covalent,SING,C3,H16,,,,,17390,bmse000851,1
12,covalent,SING,C6,C7,,,,,17390,bmse000851,1
13,covalent,SING,C6,H21,,,,,17390,bmse000851,1
14,covalent,SING,C6,H22,,,,,17390,bmse000851,1
15,covalent,SING,C2,C1,,,,,17390,bmse000851,1
16,covalent,SING,C2,H13,,,,,17390,bmse000851,1
17,covalent,SING,C2,H14,,,,,17390,bmse000851,1
18,covalent,SING,C7,C8,,,,,17390,bmse000851,1
19,covalent,SING,C7,H23,,,,,17390,bmse000851,1
20,covalent,SING,C7,H24,,,,,17390,bmse000851,1
21,covalent,SING,C1,H12,,,,,17390,bmse000851,1
22,covalent,SING,C1,H10,,,,,17390,bmse000851,1
23,covalent,SING,C1,H11,,,,,17390,bmse000851,1
24,covalent,SING,C8,H25,,,,,17390,bmse000851,1
1,covalent,SING,O19,C18,,,,,17409,bmse000852,1
2,covalent,SING,O19,H54,,,,,17409,bmse000852,1
3,covalent,DOUB,O20,C18,,,,,17409,bmse000852,1
4,covalent,SING,C7,C6,,,,,17409,bmse000852,1
5,covalent,SING,C7,C8,,,,,17409,bmse000852,1
6,covalent,SING,C7,H34,,,,,17409,bmse000852,1
7,covalent,SING,C7,H35,,,,,17409,bmse000852,1
8,covalent,SING,C6,C5,,,,,17409,bmse000852,1
9,covalent,SING,C6,H32,,,,,17409,bmse000852,1
10,covalent,SING,C6,H33,,,,,17409,bmse000852,1
11,covalent,SING,C8,C9,,,,,17409,bmse000852,1
12,covalent,SING,C8,H36,,,,,17409,bmse000852,1
13,covalent,SING,C8,H37,,,,,17409,bmse000852,1
14,covalent,SING,C5,C4,,,,,17409,bmse000852,1
15,covalent,SING,C5,H30,,,,,17409,bmse000852,1
16,covalent,SING,C5,H31,,,,,17409,bmse000852,1
17,covalent,SING,C9,C10,,,,,17409,bmse000852,1
18,covalent,SING,C9,H38,,,,,17409,bmse000852,1
19,covalent,SING,C9,H39,,,,,17409,bmse000852,1
20,covalent,SING,C4,C3,,,,,17409,bmse000852,1
21,covalent,SING,C4,H28,,,,,17409,bmse000852,1
22,covalent,SING,C4,H29,,,,,17409,bmse000852,1
23,covalent,SING,C10,C11,,,,,17409,bmse000852,1
24,covalent,SING,C10,H40,,,,,17409,bmse000852,1
25,covalent,SING,C10,H41,,,,,17409,bmse000852,1
26,covalent,SING,C3,C2,,,,,17409,bmse000852,1
27,covalent,SING,C3,H26,,,,,17409,bmse000852,1
28,covalent,SING,C3,H27,,,,,17409,bmse000852,1
29,covalent,SING,C11,C12,,,,,17409,bmse000852,1
30,covalent,SING,C11,H42,,,,,17409,bmse000852,1
31,covalent,SING,C11,H43,,,,,17409,bmse000852,1
32,covalent,SING,C2,C1,,,,,17409,bmse000852,1
33,covalent,SING,C2,H24,,,,,17409,bmse000852,1
34,covalent,SING,C2,H25,,,,,17409,bmse000852,1
35,covalent,DOUB,C12,C13,,,,,17409,bmse000852,1
36,covalent,SING,C12,H44,,,,,17409,bmse000852,1
37,covalent,SING,C14,C15,,,,,17409,bmse000852,1
38,covalent,SING,C14,C13,,,,,17409,bmse000852,1
39,covalent,SING,C14,H46,,,,,17409,bmse000852,1
40,covalent,SING,C14,H47,,,,,17409,bmse000852,1
41,covalent,SING,C15,C16,,,,,17409,bmse000852,1
42,covalent,SING,C15,H48,,,,,17409,bmse000852,1
43,covalent,SING,C15,H49,,,,,17409,bmse000852,1
44,covalent,SING,C1,H23,,,,,17409,bmse000852,1
45,covalent,SING,C1,H21,,,,,17409,bmse000852,1
46,covalent,SING,C1,H22,,,,,17409,bmse000852,1
47,covalent,SING,C13,H45,,,,,17409,bmse000852,1
48,covalent,SING,C16,C17,,,,,17409,bmse000852,1
49,covalent,SING,C16,H50,,,,,17409,bmse000852,1
50,covalent,SING,C16,H51,,,,,17409,bmse000852,1
51,covalent,SING,C17,C18,,,,,17409,bmse000852,1
52,covalent,SING,C17,H52,,,,,17409,bmse000852,1
53,covalent,SING,C17,H53,,,,,17409,bmse000852,1
1,covalent,SING,O56,C39,,,,,17429,bmse000853,1
2,covalent,SING,O56,C41,,,,,17429,bmse000853,1
3,covalent,SING,C40,O50,,,,,17429,bmse000853,1
4,covalent,SING,O50,H118,,,,,17429,bmse000853,1
5,covalent,SING,C30,O53,,,,,17429,bmse000853,1
6,covalent,SING,O53,C22,,,,,17429,bmse000853,1
7,covalent,SING,C41,O51,,,,,17429,bmse000853,1
8,covalent,SING,O51,H119,,,,,17429,bmse000853,1
9,covalent,SING,C29,O52,,,,,17429,bmse000853,1
10,covalent,SING,O52,C21,,,,,17429,bmse000853,1
11,covalent,SING,C33,O55,,,,,17429,bmse000853,1
12,covalent,SING,O55,C34,,,,,17429,bmse000853,1
13,covalent,SING,C26,O54,,,,,17429,bmse000853,1
14,covalent,SING,O54,C35,,,,,17429,bmse000853,1
15,covalent,SING,C28,O45,,,,,17429,bmse000853,1
16,covalent,SING,O45,H115,,,,,17429,bmse000853,1
17,covalent,SING,C38,O49,,,,,17429,bmse000853,1
18,covalent,SING,O49,H117,,,,,17429,bmse000853,1
19,covalent,DOUB,O44,C22,,,,,17429,bmse000853,1
20,covalent,DOUB,O43,C21,,,,,17429,bmse000853,1
21,covalent,DOUB,O46,C34,,,,,17429,bmse000853,1
22,covalent,DOUB,O47,C35,,,,,17429,bmse000853,1
23,covalent,SING,C37,O48,,,,,17429,bmse000853,1
24,covalent,SING,O48,H116,,,,,17429,bmse000853,1
25,covalent,SING,N42,C18,,,,,17429,bmse000853,1
26,covalent,SING,N42,C25,,,,,17429,bmse000853,1
27,covalent,SING,N42,C17,,,,,17429,bmse000853,1
28,covalent,SING,C39,C36,,,,,17429,bmse000853,1
29,covalent,SING,C39,C32,,,,,17429,bmse000853,1
30,covalent,SING,C39,C16,,,,,17429,bmse000853,1
31,covalent,SING,C36,C31,,,,,17429,bmse000853,1
32,covalent,SING,C36,C15,,,,,17429,bmse000853,1
33,covalent,SING,C36,C7,,,,,17429,bmse000853,1
34,covalent,SING,C32,C40,,,,,17429,bmse000853,1
35,covalent,SING,C32,C30,,,,,17429,bmse000853,1
36,covalent,SING,C32,H113,,,,,17429,bmse000853,1
37,covalent,SING,C40,C24,,,,,17429,bmse000853,1
38,covalent,SING,C40,C33,,,,,17429,bmse000853,1
39,covalent,SING,C24,C16,,,,,17429,bmse000853,1
40,covalent,SING,C24,C23,,,,,17429,bmse000853,1
41,covalent,SING,C24,H105,,,,,17429,bmse000853,1
42,covalent,SING,C31,C41,,,,,17429,bmse000853,1
43,covalent,SING,C31,C29,,,,,17429,bmse000853,1
44,covalent,SING,C31,H112,,,,,17429,bmse000853,1
45,covalent,SING,C16,H96,,,,,17429,bmse000853,1
46,covalent,SING,C16,H97,,,,,17429,bmse000853,1
47,covalent,SING,C41,C26,,,,,17429,bmse000853,1
48,covalent,SING,C30,C29,,,,,17429,bmse000853,1
49,covalent,SING,C30,H111,,,,,17429,bmse000853,1
50,covalent,SING,C23,C27,,,,,17429,bmse000853,1
51,covalent,SING,C23,C18,,,,,17429,bmse000853,1
52,covalent,SING,C23,H104,,,,,17429,bmse000853,1
53,covalent,SING,C29,H110,,,,,17429,bmse000853,1
54,covalent,SING,C15,C14,,,,,17429,bmse000853,1
55,covalent,SING,C15,H94,,,,,17429,bmse000853,1
56,covalent,SING,C15,H95,,,,,17429,bmse000853,1
57,covalent,SING,C33,C28,,,,,17429,bmse000853,1
58,covalent,SING,C33,H114,,,,,17429,bmse000853,1
59,covalent,SING,C27,C28,,,,,17429,bmse000853,1
60,covalent,SING,C27,C38,,,,,17429,bmse000853,1
61,covalent,SING,C27,H108,,,,,17429,bmse000853,1
62,covalent,SING,C26,C14,,,,,17429,bmse000853,1
63,covalent,SING,C26,H107,,,,,17429,bmse000853,1
64,covalent,SING,C28,H109,,,,,17429,bmse000853,1
65,covalent,SING,C7,H76,,,,,17429,bmse000853,1
66,covalent,SING,C7,H77,,,,,17429,bmse000853,1
67,covalent,SING,C7,H75,,,,,17429,bmse000853,1
68,covalent,SING,C14,H92,,,,,17429,bmse000853,1
69,covalent,SING,C14,H93,,,,,17429,bmse000853,1
70,covalent,SING,C38,C25,,,,,17429,bmse000853,1
71,covalent,SING,C38,C9,,,,,17429,bmse000853,1
72,covalent,SING,C18,H100,,,,,17429,bmse000853,1
73,covalent,SING,C18,H101,,,,,17429,bmse000853,1
74,covalent,SING,C25,C13,,,,,17429,bmse000853,1
75,covalent,SING,C25,H106,,,,,17429,bmse000853,1
76,covalent,SING,C9,H81,,,,,17429,bmse000853,1
77,covalent,SING,C9,H83,,,,,17429,bmse000853,1
78,covalent,SING,C9,H82,,,,,17429,bmse000853,1
79,covalent,SING,C13,C12,,,,,17429,bmse000853,1
80,covalent,SING,C13,H90,,,,,17429,bmse000853,1
81,covalent,SING,C13,H91,,,,,17429,bmse000853,1
82,covalent,SING,C17,C19,,,,,17429,bmse000853,1
83,covalent,SING,C17,H98,,,,,17429,bmse000853,1
84,covalent,SING,C17,H99,,,,,17429,bmse000853,1
85,covalent,SING,C19,C12,,,,,17429,bmse000853,1
86,covalent,SING,C19,C3,,,,,17429,bmse000853,1
87,covalent,SING,C19,H102,,,,,17429,bmse000853,1
88,covalent,SING,C12,H88,,,,,17429,bmse000853,1
89,covalent,SING,C12,H89,,,,,17429,bmse000853,1
90,covalent,SING,C22,C6,,,,,17429,bmse000853,1
91,covalent,SING,C21,C5,,,,,17429,bmse000853,1
92,covalent,SING,C34,C20,,,,,17429,bmse000853,1
93,covalent,SING,C35,C37,,,,,17429,bmse000853,1
94,covalent,SING,C3,H65,,,,,17429,bmse000853,1
95,covalent,SING,C3,H64,,,,,17429,bmse000853,1
96,covalent,SING,C3,H63,,,,,17429,bmse000853,1
97,covalent,SING,C20,C10,,,,,17429,bmse000853,1
98,covalent,SING,C20,C4,,,,,17429,bmse000853,1
99,covalent,SING,C20,H103,,,,,17429,bmse000853,1
100,covalent,SING,C6,H73,,,,,17429,bmse000853,1
101,covalent,SING,C6,H74,,,,,17429,bmse000853,1
102,covalent,SING,C6,H72,,,,,17429,bmse000853,1
103,covalent,SING,C5,H69,,,,,17429,bmse000853,1
104,covalent,SING,C5,H70,,,,,17429,bmse000853,1
105,covalent,SING,C5,H71,,,,,17429,bmse000853,1
106,covalent,SING,C37,C11,,,,,17429,bmse000853,1
107,covalent,SING,C37,C8,,,,,17429,bmse000853,1
108,covalent,SING,C10,C1,,,,,17429,bmse000853,1
109,covalent,SING,C10,H84,,,,,17429,bmse000853,1
110,covalent,SING,C10,H85,,,,,17429,bmse000853,1
111,covalent,SING,C4,H66,,,,,17429,bmse000853,1
112,covalent,SING,C4,H67,,,,,17429,bmse000853,1
113,covalent,SING,C4,H68,,,,,17429,bmse000853,1
114,covalent,SING,C11,C2,,,,,17429,bmse000853,1
115,covalent,SING,C11,H86,,,,,17429,bmse000853,1
116,covalent,SING,C11,H87,,,,,17429,bmse000853,1
117,covalent,SING,C8,H78,,,,,17429,bmse000853,1
118,covalent,SING,C8,H79,,,,,17429,bmse000853,1
119,covalent,SING,C8,H80,,,,,17429,bmse000853,1
120,covalent,SING,C1,H57,,,,,17429,bmse000853,1
121,covalent,SING,C1,H58,,,,,17429,bmse000853,1
122,covalent,SING,C1,H59,,,,,17429,bmse000853,1
123,covalent,SING,C2,H60,,,,,17429,bmse000853,1
124,covalent,SING,C2,H61,,,,,17429,bmse000853,1
125,covalent,SING,C2,H62,,,,,17429,bmse000853,1
1,covalent,DOUB,C2,N12,,,,,17444,bmse000854,1
2,covalent,SING,C2,N13,,,,,17444,bmse000854,1
3,covalent,SING,C2,H34,,,,,17444,bmse000854,1
4,covalent,DOUB,C3,N14,,,,,17444,bmse000854,1
5,covalent,SING,C3,N15,,,,,17444,bmse000854,1
6,covalent,SING,C3,H35,,,,,17444,bmse000854,1
7,covalent,SING,C4,C1,,,,,17444,bmse000854,1
8,covalent,SING,C1,O25,,,,,17444,bmse000854,1
9,covalent,SING,C1,H32,,,,,17444,bmse000854,1
10,covalent,SING,C1,H33,,,,,17444,bmse000854,1
11,covalent,DOUB,C5,C8,,,,,17444,bmse000854,1
12,covalent,SING,C5,C9,,,,,17444,bmse000854,1
13,covalent,SING,C5,N14,,,,,17444,bmse000854,1
14,covalent,SING,C8,N11,,,,,17444,bmse000854,1
15,covalent,SING,C8,N12,,,,,17444,bmse000854,1
16,covalent,DOUB,C9,N13,,,,,17444,bmse000854,1
17,covalent,SING,C9,N15,,,,,17444,bmse000854,1
18,covalent,SING,C4,C6,,,,,17444,bmse000854,1
19,covalent,SING,C4,O26,,,,,17444,bmse000854,1
20,covalent,SING,C4,H36,,,,,17444,bmse000854,1
21,covalent,SING,C6,C7,,,,,17444,bmse000854,1
22,covalent,SING,C6,O16,,,,,17444,bmse000854,1
23,covalent,SING,C6,H37,,,,,17444,bmse000854,1
24,covalent,SING,C7,C10,,,,,17444,bmse000854,1
25,covalent,SING,C7,O17,,,,,17444,bmse000854,1
26,covalent,SING,C7,H38,,,,,17444,bmse000854,1
27,covalent,SING,C10,N15,,,,,17444,bmse000854,1
28,covalent,SING,C10,O26,,,,,17444,bmse000854,1
29,covalent,SING,C10,H39,,,,,17444,bmse000854,1
30,covalent,SING,N11,H40,,,,,17444,bmse000854,1
31,covalent,SING,N11,H41,,,,,17444,bmse000854,1
32,covalent,SING,O16,H42,,,,,17444,bmse000854,1
33,covalent,SING,O17,H43,,,,,17444,bmse000854,1
34,covalent,SING,O18,P29,,,,,17444,bmse000854,1
35,covalent,SING,O18,H44,,,,,17444,bmse000854,1
36,covalent,SING,O19,P29,,,,,17444,bmse000854,1
37,covalent,SING,O19,H45,,,,,17444,bmse000854,1
38,covalent,SING,O21,P30,,,,,17444,bmse000854,1
39,covalent,SING,O21,H46,,,,,17444,bmse000854,1
40,covalent,SING,O23,P31,,,,,17444,bmse000854,1
41,covalent,SING,O23,H47,,,,,17444,bmse000854,1
42,covalent,DOUB,O20,P29,,,,,17444,bmse000854,1
43,covalent,DOUB,O22,P30,,,,,17444,bmse000854,1
44,covalent,DOUB,O24,P31,,,,,17444,bmse000854,1
45,covalent,SING,O25,P30,,,,,17444,bmse000854,1
46,covalent,SING,O27,P29,,,,,17444,bmse000854,1
47,covalent,SING,O27,P31,,,,,17444,bmse000854,1
48,covalent,SING,O28,P30,,,,,17444,bmse000854,1
49,covalent,SING,O28,P31,,,,,17444,bmse000854,1
1,covalent,SING,C6,C5,,,,,17459,bmse000855,1
2,covalent,SING,C6,O11,,,,,17459,bmse000855,1
3,covalent,SING,C6,O12,,,,,17459,bmse000855,1
4,covalent,SING,C6,H19,,,,,17459,bmse000855,1
5,covalent,SING,C5,C4,,,,,17459,bmse000855,1
6,covalent,SING,C5,O10,,,,,17459,bmse000855,1
7,covalent,SING,C5,H18,,,,,17459,bmse000855,1
8,covalent,SING,C4,C3,,,,,17459,bmse000855,1
9,covalent,SING,C4,O9,,,,,17459,bmse000855,1
10,covalent,SING,C4,H17,,,,,17459,bmse000855,1
11,covalent,SING,C3,C2,,,,,17459,bmse000855,1
12,covalent,SING,C3,O8,,,,,17459,bmse000855,1
13,covalent,SING,C3,H16,,,,,17459,bmse000855,1
14,covalent,SING,C2,C1,,,,,17459,bmse000855,1
15,covalent,SING,C2,O12,,,,,17459,bmse000855,1
16,covalent,SING,C2,H15,,,,,17459,bmse000855,1
17,covalent,SING,C1,O7,,,,,17459,bmse000855,1
18,covalent,SING,C1,H13,,,,,17459,bmse000855,1
19,covalent,SING,C1,H14,,,,,17459,bmse000855,1
20,covalent,SING,O11,H24,,,,,17459,bmse000855,1
21,covalent,SING,O10,H23,,,,,17459,bmse000855,1
22,covalent,SING,O9,H22,,,,,17459,bmse000855,1
23,covalent,SING,O8,H21,,,,,17459,bmse000855,1
24,covalent,SING,O7,H20,,,,,17459,bmse000855,1
1,covalent,SING,C3,O6,,,,,17474,bmse000856,1
2,covalent,SING,C3,C1,,,,,17474,bmse000856,1
3,covalent,SING,C3,C2,,,,,17474,bmse000856,1
4,covalent,SING,C3,H11,,,,,17474,bmse000856,1
5,covalent,SING,O6,H14,,,,,17474,bmse000856,1
6,covalent,SING,O5,C2,,,,,17474,bmse000856,1
7,covalent,SING,O5,H13,,,,,17474,bmse000856,1
8,covalent,SING,O4,C1,,,,,17474,bmse000856,1
9,covalent,SING,O4,H12,,,,,17474,bmse000856,1
10,covalent,SING,C1,H7,,,,,17474,bmse000856,1
11,covalent,SING,C1,H8,,,,,17474,bmse000856,1
12,covalent,SING,C2,H9,,,,,17474,bmse000856,1
13,covalent,SING,C2,H10,,,,,17474,bmse000856,1
1,covalent,DOUB,C2,O3,,,,,17489,bmse000857,1
2,covalent,SING,C2,O4,,,,,17489,bmse000857,1
3,covalent,SING,C2,C1,,,,,17489,bmse000857,1
4,covalent,SING,O4,H8,,,,,17489,bmse000857,1
5,covalent,SING,C1,H6,,,,,17489,bmse000857,1
6,covalent,SING,C1,H7,,,,,17489,bmse000857,1
7,covalent,SING,C1,H5,,,,,17489,bmse000857,1
1,covalent,DOUB,C5,O10,,,,,17504,bmse000858,1
2,covalent,SING,C5,O11,,,,,17504,bmse000858,1
3,covalent,SING,C5,C4,,,,,17504,bmse000858,1
4,covalent,SING,O11,H25,,,,,17504,bmse000858,1
5,covalent,SING,C4,N7,,,,,17504,bmse000858,1
6,covalent,SING,C4,C2,,,,,17504,bmse000858,1
7,covalent,SING,C4,H19,,,,,17504,bmse000858,1
8,covalent,SING,N7,H20,,,,,17504,bmse000858,1
9,covalent,SING,N7,H21,,,,,17504,bmse000858,1
10,covalent,SING,C2,C1,,,,,17504,bmse000858,1
11,covalent,SING,C2,H15,,,,,17504,bmse000858,1
12,covalent,SING,C2,H16,,,,,17504,bmse000858,1
13,covalent,SING,C1,C3,,,,,17504,bmse000858,1
14,covalent,SING,C1,H13,,,,,17504,bmse000858,1
15,covalent,SING,C1,H14,,,,,17504,bmse000858,1
16,covalent,SING,C3,N9,,,,,17504,bmse000858,1
17,covalent,SING,C3,H17,,,,,17504,bmse000858,1
18,covalent,SING,C3,H18,,,,,17504,bmse000858,1
19,covalent,SING,N9,C6,,,,,17504,bmse000858,1
20,covalent,SING,N9,H24,,,,,17504,bmse000858,1
21,covalent,DOUB,C6,O12,,,,,17504,bmse000858,1
22,covalent,SING,C6,N8,,,,,17504,bmse000858,1
23,covalent,SING,N8,H22,,,,,17504,bmse000858,1
24,covalent,SING,N8,H23,,,,,17504,bmse000858,1
1,covalent,SING,C1,C2,,,,,17519,bmse000859,1
2,covalent,SING,C1,H11,,,,,17519,bmse000859,1
3,covalent,SING,C1,H9,,,,,17519,bmse000859,1
4,covalent,SING,C1,H10,,,,,17519,bmse000859,1
5,covalent,SING,C2,C3,,,,,17519,bmse000859,1
6,covalent,SING,C2,O6,,,,,17519,bmse000859,1
7,covalent,SING,C2,H12,,,,,17519,bmse000859,1
8,covalent,SING,C3,C4,,,,,17519,bmse000859,1
9,covalent,SING,C3,N5,,,,,17519,bmse000859,1
10,covalent,SING,C3,H13,,,,,17519,bmse000859,1
11,covalent,DOUB,C4,O7,,,,,17519,bmse000859,1
12,covalent,SING,C4,O8,,,,,17519,bmse000859,1
13,covalent,SING,O6,H16,,,,,17519,bmse000859,1
14,covalent,SING,N5,H14,,,,,17519,bmse000859,1
15,covalent,SING,N5,H15,,,,,17519,bmse000859,1
16,covalent,SING,O8,H17,,,,,17519,bmse000859,1
1,covalent,SING,C4,N6,,,,,17534,bmse000860,1
2,covalent,SING,N6,H17,,,,,17534,bmse000860,1
3,covalent,SING,N6,H18,,,,,17534,bmse000860,1
4,covalent,SING,C4,C5,,,,,17534,bmse000860,1
5,covalent,SING,C4,C3,,,,,17534,bmse000860,1
6,covalent,SING,C4,H16,,,,,17534,bmse000860,1
7,covalent,DOUB,C5,O7,,,,,17534,bmse000860,1
8,covalent,SING,C5,O8,,,,,17534,bmse000860,1
9,covalent,SING,C3,C1,,,,,17534,bmse000860,1
10,covalent,SING,C3,C2,,,,,17534,bmse000860,1
11,covalent,SING,C3,H15,,,,,17534,bmse000860,1
12,covalent,SING,C1,H9,,,,,17534,bmse000860,1
13,covalent,SING,C1,H11,,,,,17534,bmse000860,1
14,covalent,SING,C1,H10,,,,,17534,bmse000860,1
15,covalent,SING,C2,H13,,,,,17534,bmse000860,1
16,covalent,SING,C2,H14,,,,,17534,bmse000860,1
17,covalent,SING,C2,H12,,,,,17534,bmse000860,1
18,covalent,SING,O8,H19,,,,,17534,bmse000860,1
1,covalent,SING,C1,N7,,,,,17549,bmse000861,1
2,covalent,DOUB,C1,N9,,,,,17549,bmse000861,1
3,covalent,SING,C1,H11,,,,,17549,bmse000861,1
4,covalent,DOUB,C2,N8,,,,,17549,bmse000861,1
5,covalent,SING,C2,N10,,,,,17549,bmse000861,1
6,covalent,SING,C2,H12,,,,,17549,bmse000861,1
7,covalent,DOUB,C3,C4,,,,,17549,bmse000861,1
8,covalent,SING,C3,C5,,,,,17549,bmse000861,1
9,covalent,SING,C3,N7,,,,,17549,bmse000861,1
10,covalent,SING,C4,N6,,,,,17549,bmse000861,1
11,covalent,SING,C4,N8,,,,,17549,bmse000861,1
12,covalent,SING,C5,N9,,,,,17549,bmse000861,1
13,covalent,DOUB,C5,N10,,,,,17549,bmse000861,1
14,covalent,SING,N6,H13,,,,,17549,bmse000861,1
15,covalent,SING,N6,H14,,,,,17549,bmse000861,1
16,covalent,SING,N7,H15,,,,,17549,bmse000861,1
1,covalent,SING,N5,C3,,,,,17565,bmse000862,1
2,covalent,SING,N5,H15,,,,,17565,bmse000862,1
3,covalent,SING,N5,H16,,,,,17565,bmse000862,1
4,covalent,SING,N6,C4,,,,,17565,bmse000862,1
5,covalent,SING,N6,H17,,,,,17565,bmse000862,1
6,covalent,SING,N6,H18,,,,,17565,bmse000862,1
7,covalent,SING,C4,C2,,,,,17565,bmse000862,1
8,covalent,SING,C4,H13,,,,,17565,bmse000862,1
9,covalent,SING,C4,H14,,,,,17565,bmse000862,1
10,covalent,SING,C3,C1,,,,,17565,bmse000862,1
11,covalent,SING,C3,H11,,,,,17565,bmse000862,1
12,covalent,SING,C3,H12,,,,,17565,bmse000862,1
13,covalent,SING,C1,C2,,,,,17565,bmse000862,1
14,covalent,SING,C1,H7,,,,,17565,bmse000862,1
15,covalent,SING,C1,H8,,,,,17565,bmse000862,1
16,covalent,SING,C2,H9,,,,,17565,bmse000862,1
17,covalent,SING,C2,H10,,,,,17565,bmse000862,1
1,covalent,SING,S7,C2,,,,,17580,bmse000863,1
2,covalent,DOUB,S7,O4,,,,,17580,bmse000863,1
3,covalent,DOUB,S7,O5,,,,,17580,bmse000863,1
4,covalent,SING,S7,O6,,,,,17580,bmse000863,1
5,covalent,SING,C2,C1,,,,,17580,bmse000863,1
6,covalent,SING,C2,H10,,,,,17580,bmse000863,1
7,covalent,SING,C2,H11,,,,,17580,bmse000863,1
8,covalent,SING,O6,H14,,,,,17580,bmse000863,1
9,covalent,SING,N3,C1,,,,,17580,bmse000863,1
10,covalent,SING,N3,H12,,,,,17580,bmse000863,1
11,covalent,SING,N3,H13,,,,,17580,bmse000863,1
12,covalent,SING,C1,H8,,,,,17580,bmse000863,1
13,covalent,SING,C1,H9,,,,,17580,bmse000863,1
1,covalent,SING,H18,C1,,,,,17594,bmse000864,1
2,covalent,SING,H19,C2,,,,,17594,bmse000864,1
3,covalent,SING,H23,C6,,,,,17594,bmse000864,1
4,covalent,SING,H24,C7,,,,,17594,bmse000864,1
5,covalent,SING,H22,C4,,,,,17594,bmse000864,1
6,covalent,SING,H25,C8,,,,,17594,bmse000864,1
7,covalent,SING,H20,C3,,,,,17594,bmse000864,1
8,covalent,SING,H21,C3,,,,,17594,bmse000864,1
9,covalent,SING,H26,N10,,,,,17594,bmse000864,1
10,covalent,SING,H28,O14,,,,,17594,bmse000864,1
11,covalent,SING,H29,O15,,,,,17594,bmse000864,1
12,covalent,SING,H27,O12,,,,,17594,bmse000864,1
13,covalent,DOUB,C1,C2,,,,,17594,bmse000864,1
14,covalent,SING,C1,C5,,,,,17594,bmse000864,1
15,covalent,SING,C2,N11,,,,,17594,bmse000864,1
16,covalent,SING,C5,N10,,,,,17594,bmse000864,1
17,covalent,DOUB,C5,O13,,,,,17594,bmse000864,1
18,covalent,SING,C9,N10,,,,,17594,bmse000864,1
19,covalent,SING,C9,N11,,,,,17594,bmse000864,1
20,covalent,DOUB,C9,O16,,,,,17594,bmse000864,1
21,covalent,SING,C6,C7,,,,,17594,bmse000864,1
22,covalent,SING,C6,C4,,,,,17594,bmse000864,1
23,covalent,SING,C6,O14,,,,,17594,bmse000864,1
24,covalent,SING,C7,C8,,,,,17594,bmse000864,1
25,covalent,SING,C7,O15,,,,,17594,bmse000864,1
26,covalent,SING,C4,C3,,,,,17594,bmse000864,1
27,covalent,SING,C4,O17,,,,,17594,bmse000864,1
28,covalent,SING,C8,N11,,,,,17594,bmse000864,1
29,covalent,SING,C8,O17,,,,,17594,bmse000864,1
30,covalent,SING,C3,O12,,,,,17594,bmse000864,1
1,covalent,SING,C6,C5,,,,,17609,bmse000865,1
2,covalent,SING,C6,O12,,,,,17609,bmse000865,1
3,covalent,SING,C6,C2,,,,,17609,bmse000865,1
4,covalent,SING,C6,O11,,,,,17609,bmse000865,1
5,covalent,SING,C5,C4,,,,,17609,bmse000865,1
6,covalent,SING,C5,O10,,,,,17609,bmse000865,1
7,covalent,SING,C5,H19,,,,,17609,bmse000865,1
8,covalent,SING,O12,C1,,,,,17609,bmse000865,1
9,covalent,SING,C2,O7,,,,,17609,bmse000865,1
10,covalent,SING,C2,H15,,,,,17609,bmse000865,1
11,covalent,SING,C2,H16,,,,,17609,bmse000865,1
12,covalent,SING,O11,H24,,,,,17609,bmse000865,1
13,covalent,SING,C4,C3,,,,,17609,bmse000865,1
14,covalent,SING,C4,O9,,,,,17609,bmse000865,1
15,covalent,SING,C4,H18,,,,,17609,bmse000865,1
16,covalent,SING,O10,H23,,,,,17609,bmse000865,1
17,covalent,SING,C1,C3,,,,,17609,bmse000865,1
18,covalent,SING,C1,H13,,,,,17609,bmse000865,1
19,covalent,SING,C1,H14,,,,,17609,bmse000865,1
20,covalent,SING,O7,H20,,,,,17609,bmse000865,1
21,covalent,SING,C3,O8,,,,,17609,bmse000865,1
22,covalent,SING,C3,H17,,,,,17609,bmse000865,1
23,covalent,SING,O9,H22,,,,,17609,bmse000865,1
24,covalent,SING,O8,H21,,,,,17609,bmse000865,1
1,covalent,SING,C3,C4,,,,,17624,bmse000866,1
2,covalent,SING,C3,C1,,,,,17624,bmse000866,1
3,covalent,SING,C3,H16,,,,,17624,bmse000866,1
4,covalent,SING,C3,H17,,,,,17624,bmse000866,1
5,covalent,SING,C4,C5,,,,,17624,bmse000866,1
6,covalent,SING,C4,C2,,,,,17624,bmse000866,1
7,covalent,SING,C4,H18,,,,,17624,bmse000866,1
8,covalent,SING,C5,C6,,,,,17624,bmse000866,1
9,covalent,SING,C5,N7,,,,,17624,bmse000866,1
10,covalent,SING,C5,H19,,,,,17624,bmse000866,1
11,covalent,DOUB,C6,O8,,,,,17624,bmse000866,1
12,covalent,SING,C6,O9,,,,,17624,bmse000866,1
13,covalent,SING,C1,H12,,,,,17624,bmse000866,1
14,covalent,SING,C1,H11,,,,,17624,bmse000866,1
15,covalent,SING,C1,H10,,,,,17624,bmse000866,1
16,covalent,SING,C2,H14,,,,,17624,bmse000866,1
17,covalent,SING,C2,H13,,,,,17624,bmse000866,1
18,covalent,SING,C2,H15,,,,,17624,bmse000866,1
19,covalent,SING,N7,H20,,,,,17624,bmse000866,1
20,covalent,SING,N7,H21,,,,,17624,bmse000866,1
21,covalent,SING,O9,H22,,,,,17624,bmse000866,1
1,covalent,SING,C2,N4,,,,,17639,bmse000867,1
2,covalent,SING,N4,H11,,,,,17639,bmse000867,1
3,covalent,SING,N4,H12,,,,,17639,bmse000867,1
4,covalent,SING,C2,C3,,,,,17639,bmse000867,1
5,covalent,SING,C2,C1,,,,,17639,bmse000867,1
6,covalent,SING,C2,H10,,,,,17639,bmse000867,1
7,covalent,DOUB,C3,O6,,,,,17639,bmse000867,1
8,covalent,SING,C3,O7,,,,,17639,bmse000867,1
9,covalent,SING,C1,O5,,,,,17639,bmse000867,1
10,covalent,SING,C1,H8,,,,,17639,bmse000867,1
11,covalent,SING,C1,H9,,,,,17639,bmse000867,1
12,covalent,SING,O5,H13,,,,,17639,bmse000867,1
13,covalent,SING,O7,H14,,,,,17639,bmse000867,1
1,covalent,DOUB,C1,C2,,,,,17654,bmse000868,1
2,covalent,SING,C1,C3,,,,,17654,bmse000868,1
3,covalent,SING,C1,H16,,,,,17654,bmse000868,1
4,covalent,SING,C2,C4,,,,,17654,bmse000868,1
5,covalent,SING,C2,H17,,,,,17654,bmse000868,1
6,covalent,DOUB,C3,C8,,,,,17654,bmse000868,1
7,covalent,SING,C3,H18,,,,,17654,bmse000868,1
8,covalent,DOUB,C4,C10,,,,,17654,bmse000868,1
9,covalent,SING,C4,H19,,,,,17654,bmse000868,1
10,covalent,DOUB,C6,C7,,,,,17654,bmse000868,1
11,covalent,SING,C6,N13,,,,,17654,bmse000868,1
12,covalent,SING,C6,H22,,,,,17654,bmse000868,1
13,covalent,SING,C5,C7,,,,,17654,bmse000868,1
14,covalent,SING,C5,C9,,,,,17654,bmse000868,1
15,covalent,SING,C5,H20,,,,,17654,bmse000868,1
16,covalent,SING,C5,H21,,,,,17654,bmse000868,1
17,covalent,SING,C8,C10,,,,,17654,bmse000868,1
18,covalent,SING,C8,C7,,,,,17654,bmse000868,1
19,covalent,SING,C10,N13,,,,,17654,bmse000868,1
20,covalent,SING,C9,C11,,,,,17654,bmse000868,1
21,covalent,SING,C9,N12,,,,,17654,bmse000868,1
22,covalent,SING,C9,H23,,,,,17654,bmse000868,1
23,covalent,SING,C11,O14,,,,,17654,bmse000868,1
24,covalent,DOUB,C11,O15,,,,,17654,bmse000868,1
25,covalent,SING,N12,H24,,,,,17654,bmse000868,1
26,covalent,SING,N12,H25,,,,,17654,bmse000868,1
27,covalent,SING,N13,H26,,,,,17654,bmse000868,1
28,covalent,SING,O14,H27,,,,,17654,bmse000868,1
1,covalent,SING,C5,C3,,,,,17669,bmse000869,1
2,covalent,SING,C5,C4,,,,,17669,bmse000869,1
3,covalent,SING,C5,O10,,,,,17669,bmse000869,1
4,covalent,SING,C5,H17,,,,,17669,bmse000869,1
5,covalent,SING,C3,C1,,,,,17669,bmse000869,1
6,covalent,SING,C3,O8,,,,,17669,bmse000869,1
7,covalent,SING,C3,H15,,,,,17669,bmse000869,1
8,covalent,SING,C4,C2,,,,,17669,bmse000869,1
9,covalent,SING,C4,O9,,,,,17669,bmse000869,1
10,covalent,SING,C4,H16,,,,,17669,bmse000869,1
11,covalent,SING,O10,H22,,,,,17669,bmse000869,1
12,covalent,SING,C1,O6,,,,,17669,bmse000869,1
13,covalent,SING,C1,H11,,,,,17669,bmse000869,1
14,covalent,SING,C1,H12,,,,,17669,bmse000869,1
15,covalent,SING,O8,H20,,,,,17669,bmse000869,1
16,covalent,SING,C2,O7,,,,,17669,bmse000869,1
17,covalent,SING,C2,H13,,,,,17669,bmse000869,1
18,covalent,SING,C2,H14,,,,,17669,bmse000869,1
19,covalent,SING,O9,H21,,,,,17669,bmse000869,1
20,covalent,SING,O6,H18,,,,,17669,bmse000869,1
21,covalent,SING,O7,H19,,,,,17669,bmse000869,1
1,covalent,DOUB,C1,C3,,,,,17684,bmse000870,1
2,covalent,SING,C1,C7,,,,,17684,bmse000870,1
3,covalent,SING,C1,H11,,,,,17684,bmse000870,1
4,covalent,SING,C2,C4,,,,,17684,bmse000870,1
5,covalent,DOUB,C2,C7,,,,,17684,bmse000870,1
6,covalent,SING,C2,H12,,,,,17684,bmse000870,1
7,covalent,SING,C3,C8,,,,,17684,bmse000870,1
8,covalent,SING,C3,H13,,,,,17684,bmse000870,1
9,covalent,DOUB,C4,C8,,,,,17684,bmse000870,1
10,covalent,SING,C4,H14,,,,,17684,bmse000870,1
11,covalent,SING,C5,C6,,,,,17684,bmse000870,1
12,covalent,SING,C5,C7,,,,,17684,bmse000870,1
13,covalent,SING,C5,H15,,,,,17684,bmse000870,1
14,covalent,SING,C5,H16,,,,,17684,bmse000870,1
15,covalent,SING,C6,N9,,,,,17684,bmse000870,1
16,covalent,SING,C6,H17,,,,,17684,bmse000870,1
17,covalent,SING,C6,H18,,,,,17684,bmse000870,1
18,covalent,SING,C8,O10,,,,,17684,bmse000870,1
19,covalent,SING,N9,H19,,,,,17684,bmse000870,1
20,covalent,SING,N9,H20,,,,,17684,bmse000870,1
21,covalent,SING,O10,H21,,,,,17684,bmse000870,1
1,covalent,SING,O6,C4,,,,,17699,bmse000871,1
2,covalent,SING,O6,H16,,,,,17699,bmse000871,1
3,covalent,DOUB,O7,C4,,,,,17699,bmse000871,1
4,covalent,SING,N5,C3,,,,,17699,bmse000871,1
5,covalent,SING,N5,H14,,,,,17699,bmse000871,1
6,covalent,SING,N5,H15,,,,,17699,bmse000871,1
7,covalent,SING,C1,C2,,,,,17699,bmse000871,1
8,covalent,SING,C1,C3,,,,,17699,bmse000871,1
9,covalent,SING,C1,H8,,,,,17699,bmse000871,1
10,covalent,SING,C1,H9,,,,,17699,bmse000871,1
11,covalent,SING,C2,C4,,,,,17699,bmse000871,1
12,covalent,SING,C2,H10,,,,,17699,bmse000871,1
13,covalent,SING,C2,H11,,,,,17699,bmse000871,1
14,covalent,SING,C3,H12,,,,,17699,bmse000871,1
15,covalent,SING,C3,H13,,,,,17699,bmse000871,1
1,covalent,SING,C2,C1,,,,,17714,bmse000872,1
2,covalent,SING,C2,N4,,,,,17714,bmse000872,1
3,covalent,SING,C2,H8,,,,,17714,bmse000872,1
4,covalent,SING,C2,H9,,,,,17714,bmse000872,1
5,covalent,SING,C1,C3,,,,,17714,bmse000872,1
6,covalent,SING,C1,H6,,,,,17714,bmse000872,1
7,covalent,SING,C1,H7,,,,,17714,bmse000872,1
8,covalent,SING,C3,N5,,,,,17714,bmse000872,1
9,covalent,SING,C3,H10,,,,,17714,bmse000872,1
10,covalent,SING,C3,H11,,,,,17714,bmse000872,1
11,covalent,SING,N5,H14,,,,,17714,bmse000872,1
12,covalent,SING,N5,H15,,,,,17714,bmse000872,1
13,covalent,SING,N4,H12,,,,,17714,bmse000872,1
14,covalent,SING,N4,H13,,,,,17714,bmse000872,1
1,covalent,DOUB,C2,N12,,,,,17729,bmse000873,1
2,covalent,SING,C2,N13,,,,,17729,bmse000873,1
3,covalent,SING,C2,H26,,,,,17729,bmse000873,1
4,covalent,DOUB,C3,N14,,,,,17729,bmse000873,1
5,covalent,SING,C3,N15,,,,,17729,bmse000873,1
6,covalent,SING,C3,H27,,,,,17729,bmse000873,1
7,covalent,SING,C4,C1,,,,,17729,bmse000873,1
8,covalent,SING,C1,O21,,,,,17729,bmse000873,1
9,covalent,SING,C1,H24,,,,,17729,bmse000873,1
10,covalent,SING,C1,H25,,,,,17729,bmse000873,1
11,covalent,DOUB,C5,C8,,,,,17729,bmse000873,1
12,covalent,SING,C5,C9,,,,,17729,bmse000873,1
13,covalent,SING,C5,N14,,,,,17729,bmse000873,1
14,covalent,SING,C8,N11,,,,,17729,bmse000873,1
15,covalent,SING,C8,N12,,,,,17729,bmse000873,1
16,covalent,DOUB,C9,N13,,,,,17729,bmse000873,1
17,covalent,SING,C9,N15,,,,,17729,bmse000873,1
18,covalent,SING,C4,C6,,,,,17729,bmse000873,1
19,covalent,SING,C4,O22,,,,,17729,bmse000873,1
20,covalent,SING,C4,H28,,,,,17729,bmse000873,1
21,covalent,SING,C6,C7,,,,,17729,bmse000873,1
22,covalent,SING,C6,O16,,,,,17729,bmse000873,1
23,covalent,SING,C6,H29,,,,,17729,bmse000873,1
24,covalent,SING,C7,C10,,,,,17729,bmse000873,1
25,covalent,SING,C7,O17,,,,,17729,bmse000873,1
26,covalent,SING,C7,H30,,,,,17729,bmse000873,1
27,covalent,SING,C10,N15,,,,,17729,bmse000873,1
28,covalent,SING,C10,O22,,,,,17729,bmse000873,1
29,covalent,SING,C10,H31,,,,,17729,bmse000873,1
30,covalent,SING,N11,H32,,,,,17729,bmse000873,1
31,covalent,SING,N11,H33,,,,,17729,bmse000873,1
32,covalent,SING,O16,H34,,,,,17729,bmse000873,1
33,covalent,SING,O17,H35,,,,,17729,bmse000873,1
34,covalent,SING,O18,P23,,,,,17729,bmse000873,1
35,covalent,SING,O18,H36,,,,,17729,bmse000873,1
36,covalent,SING,O19,P23,,,,,17729,bmse000873,1
37,covalent,SING,O19,H37,,,,,17729,bmse000873,1
38,covalent,DOUB,O20,P23,,,,,17729,bmse000873,1
39,covalent,SING,O21,P23,,,,,17729,bmse000873,1
1,covalent,SING,O11,C6,,,,,17743,bmse000874,1
2,covalent,SING,O11,H24,,,,,17743,bmse000874,1
3,covalent,SING,C6,C5,,,,,17743,bmse000874,1
4,covalent,SING,C6,O12,,,,,17743,bmse000874,1
5,covalent,SING,C6,H19,,,,,17743,bmse000874,1
6,covalent,SING,C5,C4,,,,,17743,bmse000874,1
7,covalent,SING,C5,O10,,,,,17743,bmse000874,1
8,covalent,SING,C5,H18,,,,,17743,bmse000874,1
9,covalent,SING,C4,C3,,,,,17743,bmse000874,1
10,covalent,SING,C4,O9,,,,,17743,bmse000874,1
11,covalent,SING,C4,H17,,,,,17743,bmse000874,1
12,covalent,SING,C3,C2,,,,,17743,bmse000874,1
13,covalent,SING,C3,O8,,,,,17743,bmse000874,1
14,covalent,SING,C3,H16,,,,,17743,bmse000874,1
15,covalent,SING,C2,C1,,,,,17743,bmse000874,1
16,covalent,SING,C2,O12,,,,,17743,bmse000874,1
17,covalent,SING,C2,H15,,,,,17743,bmse000874,1
18,covalent,SING,C1,O7,,,,,17743,bmse000874,1
19,covalent,SING,C1,H13,,,,,17743,bmse000874,1
20,covalent,SING,C1,H14,,,,,17743,bmse000874,1
21,covalent,SING,O10,H23,,,,,17743,bmse000874,1
22,covalent,SING,O9,H22,,,,,17743,bmse000874,1
23,covalent,SING,O8,H21,,,,,17743,bmse000874,1
24,covalent,SING,O7,H20,,,,,17743,bmse000874,1
1,covalent,SING,C2,N5,,,,,17757,bmse000875,1
2,covalent,SING,N5,H13,,,,,17757,bmse000875,1
3,covalent,SING,N5,H14,,,,,17757,bmse000875,1
4,covalent,SING,C2,C4,,,,,17757,bmse000875,1
5,covalent,SING,C2,C1,,,,,17757,bmse000875,1
6,covalent,SING,C2,H12,,,,,17757,bmse000875,1
7,covalent,DOUB,C4,O8,,,,,17757,bmse000875,1
8,covalent,SING,C4,O9,,,,,17757,bmse000875,1
9,covalent,SING,C1,C3,,,,,17757,bmse000875,1
10,covalent,SING,C1,H10,,,,,17757,bmse000875,1
11,covalent,SING,C1,H11,,,,,17757,bmse000875,1
12,covalent,DOUB,C3,O6,,,,,17757,bmse000875,1
13,covalent,SING,C3,O7,,,,,17757,bmse000875,1
14,covalent,SING,O7,H15,,,,,17757,bmse000875,1
15,covalent,SING,O9,H16,,,,,17757,bmse000875,1
1,covalent,SING,C11,C9,,,,,17772,bmse000876,1
2,covalent,SING,C11,O23,,,,,17772,bmse000876,1
3,covalent,SING,C11,O21,,,,,17772,bmse000876,1
4,covalent,SING,C11,H36,,,,,17772,bmse000876,1
5,covalent,SING,C9,C7,,,,,17772,bmse000876,1
6,covalent,SING,C9,O19,,,,,17772,bmse000876,1
7,covalent,SING,C9,H34,,,,,17772,bmse000876,1
8,covalent,SING,C7,C5,,,,,17772,bmse000876,1
9,covalent,SING,C7,O17,,,,,17772,bmse000876,1
10,covalent,SING,C7,H32,,,,,17772,bmse000876,1
11,covalent,SING,C5,C3,,,,,17772,bmse000876,1
12,covalent,SING,C5,O15,,,,,17772,bmse000876,1
13,covalent,SING,C5,H30,,,,,17772,bmse000876,1
14,covalent,SING,C3,C1,,,,,17772,bmse000876,1
15,covalent,SING,C3,O21,,,,,17772,bmse000876,1
16,covalent,SING,C3,H28,,,,,17772,bmse000876,1
17,covalent,SING,C1,O13,,,,,17772,bmse000876,1
18,covalent,SING,C1,H24,,,,,17772,bmse000876,1
19,covalent,SING,C1,H25,,,,,17772,bmse000876,1
20,covalent,SING,O23,C12,,,,,17772,bmse000876,1
21,covalent,SING,O19,H44,,,,,17772,bmse000876,1
22,covalent,SING,O17,H42,,,,,17772,bmse000876,1
23,covalent,SING,O15,H40,,,,,17772,bmse000876,1
24,covalent,SING,O13,H38,,,,,17772,bmse000876,1
25,covalent,SING,C12,C10,,,,,17772,bmse000876,1
26,covalent,SING,C12,O22,,,,,17772,bmse000876,1
27,covalent,SING,C12,H37,,,,,17772,bmse000876,1
28,covalent,SING,C10,C8,,,,,17772,bmse000876,1
29,covalent,SING,C10,O20,,,,,17772,bmse000876,1
30,covalent,SING,C10,H35,,,,,17772,bmse000876,1
31,covalent,SING,C8,C6,,,,,17772,bmse000876,1
32,covalent,SING,C8,O18,,,,,17772,bmse000876,1
33,covalent,SING,C8,H33,,,,,17772,bmse000876,1
34,covalent,SING,C6,C4,,,,,17772,bmse000876,1
35,covalent,SING,C6,O16,,,,,17772,bmse000876,1
36,covalent,SING,C6,H31,,,,,17772,bmse000876,1
37,covalent,SING,C4,C2,,,,,17772,bmse000876,1
38,covalent,SING,C4,O22,,,,,17772,bmse000876,1
39,covalent,SING,C4,H29,,,,,17772,bmse000876,1
40,covalent,SING,C2,O14,,,,,17772,bmse000876,1
41,covalent,SING,C2,H26,,,,,17772,bmse000876,1
42,covalent,SING,C2,H27,,,,,17772,bmse000876,1
43,covalent,SING,O20,H45,,,,,17772,bmse000876,1
44,covalent,SING,O18,H43,,,,,17772,bmse000876,1
45,covalent,SING,O16,H41,,,,,17772,bmse000876,1
46,covalent,SING,O14,H39,,,,,17772,bmse000876,1
1,covalent,SING,S15,C8,,,,,17787,bmse000877,1
2,covalent,DOUB,S15,O12,,,,,17787,bmse000877,1
3,covalent,DOUB,S15,O13,,,,,17787,bmse000877,1
4,covalent,SING,S15,O14,,,,,17787,bmse000877,1
5,covalent,SING,C8,C6,,,,,17787,bmse000877,1
6,covalent,SING,C8,H30,,,,,17787,bmse000877,1
7,covalent,SING,C8,H31,,,,,17787,bmse000877,1
8,covalent,SING,C6,N10,,,,,17787,bmse000877,1
9,covalent,SING,C6,H26,,,,,17787,bmse000877,1
10,covalent,SING,C6,H27,,,,,17787,bmse000877,1
11,covalent,SING,N10,C3,,,,,17787,bmse000877,1
12,covalent,SING,N10,C4,,,,,17787,bmse000877,1
13,covalent,SING,C3,C1,,,,,17787,bmse000877,1
14,covalent,SING,C3,H20,,,,,17787,bmse000877,1
15,covalent,SING,C3,H21,,,,,17787,bmse000877,1
16,covalent,SING,C4,C2,,,,,17787,bmse000877,1
17,covalent,SING,C4,H22,,,,,17787,bmse000877,1
18,covalent,SING,C4,H23,,,,,17787,bmse000877,1
19,covalent,SING,C1,N9,,,,,17787,bmse000877,1
20,covalent,SING,C1,H16,,,,,17787,bmse000877,1
21,covalent,SING,C1,H17,,,,,17787,bmse000877,1
22,covalent,SING,C2,N9,,,,,17787,bmse000877,1
23,covalent,SING,C2,H18,,,,,17787,bmse000877,1
24,covalent,SING,C2,H19,,,,,17787,bmse000877,1
25,covalent,SING,N9,C5,,,,,17787,bmse000877,1
26,covalent,SING,N9,H32,,,,,17787,bmse000877,1
27,covalent,SING,C5,C7,,,,,17787,bmse000877,1
28,covalent,SING,C5,H24,,,,,17787,bmse000877,1
29,covalent,SING,C5,H25,,,,,17787,bmse000877,1
30,covalent,SING,C7,O11,,,,,17787,bmse000877,1
31,covalent,SING,C7,H28,,,,,17787,bmse000877,1
32,covalent,SING,C7,H29,,,,,17787,bmse000877,1
33,covalent,SING,O11,H33,,,,,17787,bmse000877,1
1,covalent,DOUB,O7,C4,,,,,17802,bmse000878,1
2,covalent,SING,O8,C5,,,,,17802,bmse000878,1
3,covalent,SING,O8,H16,,,,,17802,bmse000878,1
4,covalent,DOUB,O9,C5,,,,,17802,bmse000878,1
5,covalent,SING,N6,C3,,,,,17802,bmse000878,1
6,covalent,SING,N6,C4,,,,,17802,bmse000878,1
7,covalent,SING,N6,H15,,,,,17802,bmse000878,1
8,covalent,SING,C3,C1,,,,,17802,bmse000878,1
9,covalent,SING,C3,C5,,,,,17802,bmse000878,1
10,covalent,SING,C3,H14,,,,,17802,bmse000878,1
11,covalent,SING,C1,C2,,,,,17802,bmse000878,1
12,covalent,SING,C1,H10,,,,,17802,bmse000878,1
13,covalent,SING,C1,H11,,,,,17802,bmse000878,1
14,covalent,SING,C2,C4,,,,,17802,bmse000878,1
15,covalent,SING,C2,H12,,,,,17802,bmse000878,1
16,covalent,SING,C2,H13,,,,,17802,bmse000878,1
1,covalent,SING,P23,O21,,,,,17817,bmse000879,1
2,covalent,SING,P23,O18,,,,,17817,bmse000879,1
3,covalent,SING,P23,O19,,,,,17817,bmse000879,1
4,covalent,DOUB,P23,O20,,,,,17817,bmse000879,1
5,covalent,SING,O22,C6,,,,,17817,bmse000879,1
6,covalent,SING,O22,C5,,,,,17817,bmse000879,1
7,covalent,SING,C4,O16,,,,,17817,bmse000879,1
8,covalent,SING,O16,H35,,,,,17817,bmse000879,1
9,covalent,SING,O21,C2,,,,,17817,bmse000879,1
10,covalent,SING,O18,H36,,,,,17817,bmse000879,1
11,covalent,SING,O19,H37,,,,,17817,bmse000879,1
12,covalent,DOUB,O17,C9,,,,,17817,bmse000879,1
13,covalent,SING,C6,N15,,,,,17817,bmse000879,1
14,covalent,SING,N15,C8,,,,,17817,bmse000879,1
15,covalent,SING,N15,C3,,,,,17817,bmse000879,1
16,covalent,SING,N13,C8,,,,,17817,bmse000879,1
17,covalent,SING,N13,C10,,,,,17817,bmse000879,1
18,covalent,SING,N13,H34,,,,,17817,bmse000879,1
19,covalent,DOUB,N12,C3,,,,,17817,bmse000879,1
20,covalent,SING,N12,C7,,,,,17817,bmse000879,1
21,covalent,SING,N14,C9,,,,,17817,bmse000879,1
22,covalent,DOUB,N14,C10,,,,,17817,bmse000879,1
23,covalent,SING,N11,C10,,,,,17817,bmse000879,1
24,covalent,SING,N11,H32,,,,,17817,bmse000879,1
25,covalent,SING,N11,H33,,,,,17817,bmse000879,1
26,covalent,SING,C6,C1,,,,,17817,bmse000879,1
27,covalent,SING,C6,H31,,,,,17817,bmse000879,1
28,covalent,SING,C4,C1,,,,,17817,bmse000879,1
29,covalent,SING,C4,C5,,,,,17817,bmse000879,1
30,covalent,SING,C4,H29,,,,,17817,bmse000879,1
31,covalent,SING,C1,H24,,,,,17817,bmse000879,1
32,covalent,SING,C1,H25,,,,,17817,bmse000879,1
33,covalent,SING,C5,C2,,,,,17817,bmse000879,1
34,covalent,SING,C5,H30,,,,,17817,bmse000879,1
35,covalent,SING,C2,H26,,,,,17817,bmse000879,1
36,covalent,SING,C2,H27,,,,,17817,bmse000879,1
37,covalent,DOUB,C8,C7,,,,,17817,bmse000879,1
38,covalent,SING,C3,H28,,,,,17817,bmse000879,1
39,covalent,SING,C7,C9,,,,,17817,bmse000879,1
1,covalent,SING,O12,C10,,,,,17833,bmse000880,1
2,covalent,SING,O12,H34,,,,,17833,bmse000880,1
3,covalent,SING,O14,C11,,,,,17833,bmse000880,1
4,covalent,SING,O14,H35,,,,,17833,bmse000880,1
5,covalent,DOUB,O13,C10,,,,,17833,bmse000880,1
6,covalent,DOUB,O15,C11,,,,,17833,bmse000880,1
7,covalent,SING,C1,C2,,,,,17833,bmse000880,1
8,covalent,SING,C1,C3,,,,,17833,bmse000880,1
9,covalent,SING,C1,H16,,,,,17833,bmse000880,1
10,covalent,SING,C1,H17,,,,,17833,bmse000880,1
11,covalent,SING,C2,C4,,,,,17833,bmse000880,1
12,covalent,SING,C2,H18,,,,,17833,bmse000880,1
13,covalent,SING,C2,H19,,,,,17833,bmse000880,1
14,covalent,SING,C3,C5,,,,,17833,bmse000880,1
15,covalent,SING,C3,H20,,,,,17833,bmse000880,1
16,covalent,SING,C3,H21,,,,,17833,bmse000880,1
17,covalent,SING,C4,C6,,,,,17833,bmse000880,1
18,covalent,SING,C4,H22,,,,,17833,bmse000880,1
19,covalent,SING,C4,H23,,,,,17833,bmse000880,1
20,covalent,SING,C5,C7,,,,,17833,bmse000880,1
21,covalent,SING,C5,H24,,,,,17833,bmse000880,1
22,covalent,SING,C5,H25,,,,,17833,bmse000880,1
23,covalent,SING,C6,C8,,,,,17833,bmse000880,1
24,covalent,SING,C6,H26,,,,,17833,bmse000880,1
25,covalent,SING,C6,H27,,,,,17833,bmse000880,1
26,covalent,SING,C7,C9,,,,,17833,bmse000880,1
27,covalent,SING,C7,H28,,,,,17833,bmse000880,1
28,covalent,SING,C7,H29,,,,,17833,bmse000880,1
29,covalent,SING,C8,C10,,,,,17833,bmse000880,1
30,covalent,SING,C8,H30,,,,,17833,bmse000880,1
31,covalent,SING,C8,H31,,,,,17833,bmse000880,1
32,covalent,SING,C9,C11,,,,,17833,bmse000880,1
33,covalent,SING,C9,H32,,,,,17833,bmse000880,1
34,covalent,SING,C9,H33,,,,,17833,bmse000880,1
1,covalent,SING,N10,C8,,,,,17847,bmse000881,1
2,covalent,SING,N10,C5,,,,,17847,bmse000881,1
3,covalent,SING,N10,H21,,,,,17847,bmse000881,1
4,covalent,SING,N11,C9,,,,,17847,bmse000881,1
5,covalent,DOUB,N11,C5,,,,,17847,bmse000881,1
6,covalent,DOUB,C8,C9,,,,,17847,bmse000881,1
7,covalent,SING,C8,C3,,,,,17847,bmse000881,1
8,covalent,SING,C6,C7,,,,,17847,bmse000881,1
9,covalent,DOUB,C6,C3,,,,,17847,bmse000881,1
10,covalent,SING,C6,C1,,,,,17847,bmse000881,1
11,covalent,DOUB,C7,C4,,,,,17847,bmse000881,1
12,covalent,SING,C7,C2,,,,,17847,bmse000881,1
13,covalent,SING,C9,C4,,,,,17847,bmse000881,1
14,covalent,SING,C3,H18,,,,,17847,bmse000881,1
15,covalent,SING,C4,H19,,,,,17847,bmse000881,1
16,covalent,SING,C1,H12,,,,,17847,bmse000881,1
17,covalent,SING,C1,H13,,,,,17847,bmse000881,1
18,covalent,SING,C1,H14,,,,,17847,bmse000881,1
19,covalent,SING,C2,H15,,,,,17847,bmse000881,1
20,covalent,SING,C2,H16,,,,,17847,bmse000881,1
21,covalent,SING,C2,H17,,,,,17847,bmse000881,1
22,covalent,SING,C5,H20,,,,,17847,bmse000881,1
1,covalent,SING,O11,C6,,,,,17861,bmse000882,1
2,covalent,SING,O11,H24,,,,,17861,bmse000882,1
3,covalent,SING,C6,C5,,,,,17861,bmse000882,1
4,covalent,SING,C6,O12,,,,,17861,bmse000882,1
5,covalent,SING,C6,H19,,,,,17861,bmse000882,1
6,covalent,SING,C5,C4,,,,,17861,bmse000882,1
7,covalent,SING,C5,O10,,,,,17861,bmse000882,1
8,covalent,SING,C5,H18,,,,,17861,bmse000882,1
9,covalent,SING,C4,C3,,,,,17861,bmse000882,1
10,covalent,SING,C4,O9,,,,,17861,bmse000882,1
11,covalent,SING,C4,H17,,,,,17861,bmse000882,1
12,covalent,SING,C3,C2,,,,,17861,bmse000882,1
13,covalent,SING,C3,O8,,,,,17861,bmse000882,1
14,covalent,SING,C3,H16,,,,,17861,bmse000882,1
15,covalent,SING,C2,C1,,,,,17861,bmse000882,1
16,covalent,SING,C2,O12,,,,,17861,bmse000882,1
17,covalent,SING,C2,H15,,,,,17861,bmse000882,1
18,covalent,SING,C1,O7,,,,,17861,bmse000882,1
19,covalent,SING,C1,H13,,,,,17861,bmse000882,1
20,covalent,SING,C1,H14,,,,,17861,bmse000882,1
21,covalent,SING,O10,H23,,,,,17861,bmse000882,1
22,covalent,SING,O9,H22,,,,,17861,bmse000882,1
23,covalent,SING,O8,H21,,,,,17861,bmse000882,1
24,covalent,SING,O7,H20,,,,,17861,bmse000882,1
1,covalent,SING,C6,C5,,,,,17875,bmse000883,1
2,covalent,SING,C6,O12,,,,,17875,bmse000883,1
3,covalent,SING,C6,C2,,,,,17875,bmse000883,1
4,covalent,SING,C6,O11,,,,,17875,bmse000883,1
5,covalent,SING,C5,C4,,,,,17875,bmse000883,1
6,covalent,SING,C5,O10,,,,,17875,bmse000883,1
7,covalent,SING,C5,H19,,,,,17875,bmse000883,1
8,covalent,SING,O12,C1,,,,,17875,bmse000883,1
9,covalent,SING,C2,O7,,,,,17875,bmse000883,1
10,covalent,SING,C2,H15,,,,,17875,bmse000883,1
11,covalent,SING,C2,H16,,,,,17875,bmse000883,1
12,covalent,SING,O11,H24,,,,,17875,bmse000883,1
13,covalent,SING,C4,C3,,,,,17875,bmse000883,1
14,covalent,SING,C4,O9,,,,,17875,bmse000883,1
15,covalent,SING,C4,H18,,,,,17875,bmse000883,1
16,covalent,SING,O10,H23,,,,,17875,bmse000883,1
17,covalent,SING,C1,C3,,,,,17875,bmse000883,1
18,covalent,SING,C1,H13,,,,,17875,bmse000883,1
19,covalent,SING,C1,H14,,,,,17875,bmse000883,1
20,covalent,SING,O7,H20,,,,,17875,bmse000883,1
21,covalent,SING,C3,O8,,,,,17875,bmse000883,1
22,covalent,SING,C3,H17,,,,,17875,bmse000883,1
23,covalent,SING,O9,H22,,,,,17875,bmse000883,1
24,covalent,SING,O8,H21,,,,,17875,bmse000883,1
1,covalent,SING,C3,C4,,,,,17889,bmse000884,1
2,covalent,SING,C3,C1,,,,,17889,bmse000884,1
3,covalent,SING,C3,H16,,,,,17889,bmse000884,1
4,covalent,SING,C3,H17,,,,,17889,bmse000884,1
5,covalent,SING,C4,C5,,,,,17889,bmse000884,1
6,covalent,SING,C4,C2,,,,,17889,bmse000884,1
7,covalent,SING,C4,H18,,,,,17889,bmse000884,1
8,covalent,SING,C5,C6,,,,,17889,bmse000884,1
9,covalent,SING,C5,N7,,,,,17889,bmse000884,1
10,covalent,SING,C5,H19,,,,,17889,bmse000884,1
11,covalent,DOUB,C6,O8,,,,,17889,bmse000884,1
12,covalent,SING,C6,O9,,,,,17889,bmse000884,1
13,covalent,SING,C1,H12,,,,,17889,bmse000884,1
14,covalent,SING,C1,H11,,,,,17889,bmse000884,1
15,covalent,SING,C1,H10,,,,,17889,bmse000884,1
16,covalent,SING,C2,H14,,,,,17889,bmse000884,1
17,covalent,SING,C2,H13,,,,,17889,bmse000884,1
18,covalent,SING,C2,H15,,,,,17889,bmse000884,1
19,covalent,SING,N7,H20,,,,,17889,bmse000884,1
20,covalent,SING,N7,H21,,,,,17889,bmse000884,1
21,covalent,SING,O9,H22,,,,,17889,bmse000884,1
1,covalent,SING,C2,N4,,,,,17903,bmse000885,1
2,covalent,SING,N4,H11,,,,,17903,bmse000885,1
3,covalent,SING,N4,H12,,,,,17903,bmse000885,1
4,covalent,SING,C2,C3,,,,,17903,bmse000885,1
5,covalent,SING,C2,C1,,,,,17903,bmse000885,1
6,covalent,SING,C2,H10,,,,,17903,bmse000885,1
7,covalent,DOUB,C3,O6,,,,,17903,bmse000885,1
8,covalent,SING,C3,O7,,,,,17903,bmse000885,1
9,covalent,SING,C1,O5,,,,,17903,bmse000885,1
10,covalent,SING,C1,H8,,,,,17903,bmse000885,1
11,covalent,SING,C1,H9,,,,,17903,bmse000885,1
12,covalent,SING,O5,H13,,,,,17903,bmse000885,1
13,covalent,SING,O7,H14,,,,,17903,bmse000885,1
1,covalent,SING,O10,C5,,,,,17917,bmse000886,1
2,covalent,SING,O10,H22,,,,,17917,bmse000886,1
3,covalent,SING,C4,O9,,,,,17917,bmse000886,1
4,covalent,SING,O9,H21,,,,,17917,bmse000886,1
5,covalent,SING,C3,O8,,,,,17917,bmse000886,1
6,covalent,SING,O8,H20,,,,,17917,bmse000886,1
7,covalent,SING,O7,C2,,,,,17917,bmse000886,1
8,covalent,SING,O7,H19,,,,,17917,bmse000886,1
9,covalent,SING,O6,C1,,,,,17917,bmse000886,1
10,covalent,SING,O6,H18,,,,,17917,bmse000886,1
11,covalent,SING,C5,C4,,,,,17917,bmse000886,1
12,covalent,SING,C5,C3,,,,,17917,bmse000886,1
13,covalent,SING,C5,H17,,,,,17917,bmse000886,1
14,covalent,SING,C4,C2,,,,,17917,bmse000886,1
15,covalent,SING,C4,H16,,,,,17917,bmse000886,1
16,covalent,SING,C3,C1,,,,,17917,bmse000886,1
17,covalent,SING,C3,H15,,,,,17917,bmse000886,1
18,covalent,SING,C2,H13,,,,,17917,bmse000886,1
19,covalent,SING,C2,H14,,,,,17917,bmse000886,1
20,covalent,SING,C1,H11,,,,,17917,bmse000886,1
21,covalent,SING,C1,H12,,,,,17917,bmse000886,1
1,covalent,SING,H11,C1,,,,,17931,bmse000887,1
2,covalent,SING,H12,C2,,,,,17931,bmse000887,1
3,covalent,SING,H13,C3,,,,,17931,bmse000887,1
4,covalent,SING,H14,C4,,,,,17931,bmse000887,1
5,covalent,SING,H15,N8,,,,,17931,bmse000887,1
6,covalent,SING,H16,N8,,,,,17931,bmse000887,1
7,covalent,SING,H17,O10,,,,,17931,bmse000887,1
8,covalent,DOUB,C1,C3,,,,,17931,bmse000887,1
9,covalent,SING,C1,C5,,,,,17931,bmse000887,1
10,covalent,SING,C2,C4,,,,,17931,bmse000887,1
11,covalent,DOUB,C2,C5,,,,,17931,bmse000887,1
12,covalent,SING,C3,C6,,,,,17931,bmse000887,1
13,covalent,DOUB,C4,C6,,,,,17931,bmse000887,1
14,covalent,SING,C5,C7,,,,,17931,bmse000887,1
15,covalent,SING,C6,N8,,,,,17931,bmse000887,1
16,covalent,DOUB,C7,O9,,,,,17931,bmse000887,1
17,covalent,SING,C7,O10,,,,,17931,bmse000887,1
1,covalent,SING,O15,C1,,,,,17945,bmse000888,1
2,covalent,SING,O15,H29,,,,,17945,bmse000888,1
3,covalent,SING,C7,O17,,,,,17945,bmse000888,1
4,covalent,SING,O17,H31,,,,,17945,bmse000888,1
5,covalent,SING,C6,O16,,,,,17945,bmse000888,1
6,covalent,SING,O16,H30,,,,,17945,bmse000888,1
7,covalent,SING,O19,C10,,,,,17945,bmse000888,1
8,covalent,SING,O19,C4,,,,,17945,bmse000888,1
9,covalent,DOUB,O18,C9,,,,,17945,bmse000888,1
10,covalent,SING,C10,N14,,,,,17945,bmse000888,1
11,covalent,SING,N14,C8,,,,,17945,bmse000888,1
12,covalent,SING,N14,C3,,,,,17945,bmse000888,1
13,covalent,SING,N11,C8,,,,,17945,bmse000888,1
14,covalent,SING,N11,C2,,,,,17945,bmse000888,1
15,covalent,SING,N11,H28,,,,,17945,bmse000888,1
16,covalent,SING,N12,C9,,,,,17945,bmse000888,1
17,covalent,DOUB,N12,C2,,,,,17945,bmse000888,1
18,covalent,SING,N13,C5,,,,,17945,bmse000888,1
19,covalent,DOUB,N13,C3,,,,,17945,bmse000888,1
20,covalent,SING,C4,C1,,,,,17945,bmse000888,1
21,covalent,SING,C1,H20,,,,,17945,bmse000888,1
22,covalent,SING,C1,H21,,,,,17945,bmse000888,1
23,covalent,SING,C10,C7,,,,,17945,bmse000888,1
24,covalent,SING,C10,H27,,,,,17945,bmse000888,1
25,covalent,SING,C4,C6,,,,,17945,bmse000888,1
26,covalent,SING,C4,H24,,,,,17945,bmse000888,1
27,covalent,SING,C7,C6,,,,,17945,bmse000888,1
28,covalent,SING,C7,H26,,,,,17945,bmse000888,1
29,covalent,SING,C6,H25,,,,,17945,bmse000888,1
30,covalent,DOUB,C8,C5,,,,,17945,bmse000888,1
31,covalent,SING,C9,C5,,,,,17945,bmse000888,1
32,covalent,SING,C2,H22,,,,,17945,bmse000888,1
33,covalent,SING,C3,H23,,,,,17945,bmse000888,1
1,covalent,SING,C10,C4,,,,,17959,bmse000889,1
2,covalent,SING,C10,O23,,,,,17959,bmse000889,1
3,covalent,SING,C10,C7,,,,,17959,bmse000889,1
4,covalent,SING,C10,H35,,,,,17959,bmse000889,1
5,covalent,SING,C4,O21,,,,,17959,bmse000889,1
6,covalent,SING,C4,C2,,,,,17959,bmse000889,1
7,covalent,SING,C4,H29,,,,,17959,bmse000889,1
8,covalent,SING,O23,C12,,,,,17959,bmse000889,1
9,covalent,SING,C7,C8,,,,,17959,bmse000889,1
10,covalent,SING,C7,O17,,,,,17959,bmse000889,1
11,covalent,SING,C7,H32,,,,,17959,bmse000889,1
12,covalent,SING,O21,C11,,,,,17959,bmse000889,1
13,covalent,SING,C2,O14,,,,,17959,bmse000889,1
14,covalent,SING,C2,H26,,,,,17959,bmse000889,1
15,covalent,SING,C2,H27,,,,,17959,bmse000889,1
16,covalent,SING,C12,O22,,,,,17959,bmse000889,1
17,covalent,SING,C12,C9,,,,,17959,bmse000889,1
18,covalent,SING,C12,H37,,,,,17959,bmse000889,1
19,covalent,SING,C8,C11,,,,,17959,bmse000889,1
20,covalent,SING,C8,O18,,,,,17959,bmse000889,1
21,covalent,SING,C8,H33,,,,,17959,bmse000889,1
22,covalent,SING,O17,H42,,,,,17959,bmse000889,1
23,covalent,SING,C11,O20,,,,,17959,bmse000889,1
24,covalent,SING,C11,H36,,,,,17959,bmse000889,1
25,covalent,SING,O14,H39,,,,,17959,bmse000889,1
26,covalent,SING,O22,C3,,,,,17959,bmse000889,1
27,covalent,SING,C9,C6,,,,,17959,bmse000889,1
28,covalent,SING,C9,O19,,,,,17959,bmse000889,1
29,covalent,SING,C9,H34,,,,,17959,bmse000889,1
30,covalent,SING,O18,H43,,,,,17959,bmse000889,1
31,covalent,SING,O20,H45,,,,,17959,bmse000889,1
32,covalent,SING,C3,C5,,,,,17959,bmse000889,1
33,covalent,SING,C3,C1,,,,,17959,bmse000889,1
34,covalent,SING,C3,H28,,,,,17959,bmse000889,1
35,covalent,SING,C6,C5,,,,,17959,bmse000889,1
36,covalent,SING,C6,O16,,,,,17959,bmse000889,1
37,covalent,SING,C6,H31,,,,,17959,bmse000889,1
38,covalent,SING,O19,H44,,,,,17959,bmse000889,1
39,covalent,SING,C5,O15,,,,,17959,bmse000889,1
40,covalent,SING,C5,H30,,,,,17959,bmse000889,1
41,covalent,SING,C1,O13,,,,,17959,bmse000889,1
42,covalent,SING,C1,H24,,,,,17959,bmse000889,1
43,covalent,SING,C1,H25,,,,,17959,bmse000889,1
44,covalent,SING,O16,H41,,,,,17959,bmse000889,1
45,covalent,SING,O15,H40,,,,,17959,bmse000889,1
46,covalent,SING,O13,H38,,,,,17959,bmse000889,1
1,covalent,SING,S15,C8,,,,,17973,bmse000890,1
2,covalent,DOUB,S15,O12,,,,,17973,bmse000890,1
3,covalent,DOUB,S15,O13,,,,,17973,bmse000890,1
4,covalent,SING,S15,O14,,,,,17973,bmse000890,1
5,covalent,SING,C8,C6,,,,,17973,bmse000890,1
6,covalent,SING,C8,H30,,,,,17973,bmse000890,1
7,covalent,SING,C8,H31,,,,,17973,bmse000890,1
8,covalent,SING,C6,N10,,,,,17973,bmse000890,1
9,covalent,SING,C6,H26,,,,,17973,bmse000890,1
10,covalent,SING,C6,H27,,,,,17973,bmse000890,1
11,covalent,SING,N10,C3,,,,,17973,bmse000890,1
12,covalent,SING,N10,C4,,,,,17973,bmse000890,1
13,covalent,SING,C3,C1,,,,,17973,bmse000890,1
14,covalent,SING,C3,H20,,,,,17973,bmse000890,1
15,covalent,SING,C3,H21,,,,,17973,bmse000890,1
16,covalent,SING,C4,C2,,,,,17973,bmse000890,1
17,covalent,SING,C4,H22,,,,,17973,bmse000890,1
18,covalent,SING,C4,H23,,,,,17973,bmse000890,1
19,covalent,SING,C1,N9,,,,,17973,bmse000890,1
20,covalent,SING,C1,H16,,,,,17973,bmse000890,1
21,covalent,SING,C1,H17,,,,,17973,bmse000890,1
22,covalent,SING,C2,N9,,,,,17973,bmse000890,1
23,covalent,SING,C2,H18,,,,,17973,bmse000890,1
24,covalent,SING,C2,H19,,,,,17973,bmse000890,1
25,covalent,SING,N9,C5,,,,,17973,bmse000890,1
26,covalent,SING,N9,H32,,,,,17973,bmse000890,1
27,covalent,SING,C5,C7,,,,,17973,bmse000890,1
28,covalent,SING,C5,H24,,,,,17973,bmse000890,1
29,covalent,SING,C5,H25,,,,,17973,bmse000890,1
30,covalent,SING,C7,O11,,,,,17973,bmse000890,1
31,covalent,SING,C7,H28,,,,,17973,bmse000890,1
32,covalent,SING,C7,H29,,,,,17973,bmse000890,1
33,covalent,SING,O11,H33,,,,,17973,bmse000890,1
1,covalent,DOUB,C1,C3,,,,,17987,bmse000891,1
2,covalent,SING,C1,C7,,,,,17987,bmse000891,1
3,covalent,SING,C1,H11,,,,,17987,bmse000891,1
4,covalent,SING,C2,C4,,,,,17987,bmse000891,1
5,covalent,DOUB,C2,C7,,,,,17987,bmse000891,1
6,covalent,SING,C2,H12,,,,,17987,bmse000891,1
7,covalent,SING,C3,C8,,,,,17987,bmse000891,1
8,covalent,SING,C3,H13,,,,,17987,bmse000891,1
9,covalent,DOUB,C4,C8,,,,,17987,bmse000891,1
10,covalent,SING,C4,H14,,,,,17987,bmse000891,1
11,covalent,SING,C5,C6,,,,,17987,bmse000891,1
12,covalent,SING,C5,C7,,,,,17987,bmse000891,1
13,covalent,SING,C5,H15,,,,,17987,bmse000891,1
14,covalent,SING,C5,H16,,,,,17987,bmse000891,1
15,covalent,SING,C6,N9,,,,,17987,bmse000891,1
16,covalent,SING,C6,H17,,,,,17987,bmse000891,1
17,covalent,SING,C6,H18,,,,,17987,bmse000891,1
18,covalent,SING,C8,O10,,,,,17987,bmse000891,1
19,covalent,SING,N9,H19,,,,,17987,bmse000891,1
20,covalent,SING,N9,H20,,,,,17987,bmse000891,1
21,covalent,SING,O10,H21,,,,,17987,bmse000891,1
1,covalent,SING,S12,O8,,,,,18001,bmse000892,1
2,covalent,DOUB,S12,O9,,,,,18001,bmse000892,1
3,covalent,DOUB,S12,O10,,,,,18001,bmse000892,1
4,covalent,SING,S12,C6,,,,,18001,bmse000892,1
5,covalent,SING,O11,C4,,,,,18001,bmse000892,1
6,covalent,SING,O11,C5,,,,,18001,bmse000892,1
7,covalent,SING,O8,H25,,,,,18001,bmse000892,1
8,covalent,SING,N7,C1,,,,,18001,bmse000892,1
9,covalent,SING,N7,C2,,,,,18001,bmse000892,1
10,covalent,SING,N7,C3,,,,,18001,bmse000892,1
11,covalent,SING,C1,C4,,,,,18001,bmse000892,1
12,covalent,SING,C1,H13,,,,,18001,bmse000892,1
13,covalent,SING,C1,H14,,,,,18001,bmse000892,1
14,covalent,SING,C2,C5,,,,,18001,bmse000892,1
15,covalent,SING,C2,H15,,,,,18001,bmse000892,1
16,covalent,SING,C2,H16,,,,,18001,bmse000892,1
17,covalent,SING,C3,C6,,,,,18001,bmse000892,1
18,covalent,SING,C3,H17,,,,,18001,bmse000892,1
19,covalent,SING,C3,H18,,,,,18001,bmse000892,1
20,covalent,SING,C4,H19,,,,,18001,bmse000892,1
21,covalent,SING,C4,H20,,,,,18001,bmse000892,1
22,covalent,SING,C5,H21,,,,,18001,bmse000892,1
23,covalent,SING,C5,H22,,,,,18001,bmse000892,1
24,covalent,SING,C6,H23,,,,,18001,bmse000892,1
25,covalent,SING,C6,H24,,,,,18001,bmse000892,1
1,covalent,SING,S13,O9,,,,,18015,bmse000893,1
2,covalent,DOUB,S13,O10,,,,,18015,bmse000893,1
3,covalent,DOUB,S13,O11,,,,,18015,bmse000893,1
4,covalent,SING,S13,C7,,,,,18015,bmse000893,1
5,covalent,SING,O12,C5,,,,,18015,bmse000893,1
6,covalent,SING,O12,C6,,,,,18015,bmse000893,1
7,covalent,SING,O9,H28,,,,,18015,bmse000893,1
8,covalent,SING,N8,C2,,,,,18015,bmse000893,1
9,covalent,SING,N8,C3,,,,,18015,bmse000893,1
10,covalent,SING,N8,C4,,,,,18015,bmse000893,1
11,covalent,SING,C2,C1,,,,,18015,bmse000893,1
12,covalent,SING,C2,H16,,,,,18015,bmse000893,1
13,covalent,SING,C2,H17,,,,,18015,bmse000893,1
14,covalent,SING,C3,C5,,,,,18015,bmse000893,1
15,covalent,SING,C3,H18,,,,,18015,bmse000893,1
16,covalent,SING,C3,H19,,,,,18015,bmse000893,1
17,covalent,SING,C4,C6,,,,,18015,bmse000893,1
18,covalent,SING,C4,H20,,,,,18015,bmse000893,1
19,covalent,SING,C4,H21,,,,,18015,bmse000893,1
20,covalent,SING,C1,C7,,,,,18015,bmse000893,1
21,covalent,SING,C1,H14,,,,,18015,bmse000893,1
22,covalent,SING,C1,H15,,,,,18015,bmse000893,1
23,covalent,SING,C5,H22,,,,,18015,bmse000893,1
24,covalent,SING,C5,H23,,,,,18015,bmse000893,1
25,covalent,SING,C6,H24,,,,,18015,bmse000893,1
26,covalent,SING,C6,H25,,,,,18015,bmse000893,1
27,covalent,SING,C7,H26,,,,,18015,bmse000893,1
28,covalent,SING,C7,H27,,,,,18015,bmse000893,1
1,covalent,SING,O9,C7,,,,,18029,bmse000894,1
2,covalent,SING,O9,H26,,,,,18029,bmse000894,1
3,covalent,DOUB,O10,C7,,,,,18029,bmse000894,1
4,covalent,SING,N8,C6,,,,,18029,bmse000894,1
5,covalent,SING,N8,C1,,,,,18029,bmse000894,1
6,covalent,SING,N8,C2,,,,,18029,bmse000894,1
7,covalent,SING,N8,C3,,,,,18029,bmse000894,1
8,covalent,SING,C6,C4,,,,,18029,bmse000894,1
9,covalent,SING,C6,H24,,,,,18029,bmse000894,1
10,covalent,SING,C6,H25,,,,,18029,bmse000894,1
11,covalent,SING,C4,C5,,,,,18029,bmse000894,1
12,covalent,SING,C4,H20,,,,,18029,bmse000894,1
13,covalent,SING,C4,H21,,,,,18029,bmse000894,1
14,covalent,SING,C1,H11,,,,,18029,bmse000894,1
15,covalent,SING,C1,H12,,,,,18029,bmse000894,1
16,covalent,SING,C1,H13,,,,,18029,bmse000894,1
17,covalent,SING,C2,H15,,,,,18029,bmse000894,1
18,covalent,SING,C2,H16,,,,,18029,bmse000894,1
19,covalent,SING,C2,H14,,,,,18029,bmse000894,1
20,covalent,SING,C3,H19,,,,,18029,bmse000894,1
21,covalent,SING,C3,H18,,,,,18029,bmse000894,1
22,covalent,SING,C3,H17,,,,,18029,bmse000894,1
23,covalent,SING,C5,C7,,,,,18029,bmse000894,1
24,covalent,SING,C5,H22,,,,,18029,bmse000894,1
25,covalent,SING,C5,H23,,,,,18029,bmse000894,1
1,covalent,DOUB,O4,C2,,,,,18043,bmse000895,1
2,covalent,SING,N3,C2,,,,,18043,bmse000895,1
3,covalent,SING,N3,H8,,,,,18043,bmse000895,1
4,covalent,SING,N3,H9,,,,,18043,bmse000895,1
5,covalent,SING,C1,C2,,,,,18043,bmse000895,1
6,covalent,SING,C1,H6,,,,,18043,bmse000895,1
7,covalent,SING,C1,H7,,,,,18043,bmse000895,1
8,covalent,SING,C1,H5,,,,,18043,bmse000895,1
1,covalent,TRIP,N3,C2,,,,,18057,bmse000896,1
2,covalent,SING,C1,C2,,,,,18057,bmse000896,1
3,covalent,SING,C1,H4,,,,,18057,bmse000896,1
4,covalent,SING,C1,H5,,,,,18057,bmse000896,1
5,covalent,SING,C1,H6,,,,,18057,bmse000896,1
1,covalent,SING,C5,C4,,,,,18071,bmse000897,1
2,covalent,DOUB,C5,O8,,,,,18071,bmse000897,1
3,covalent,SING,C5,O9,,,,,18071,bmse000897,1
4,covalent,SING,C4,C2,,,,,18071,bmse000897,1
5,covalent,SING,C4,N7,,,,,18071,bmse000897,1
6,covalent,SING,C4,H16,,,,,18071,bmse000897,1
7,covalent,SING,C2,C1,,,,,18071,bmse000897,1
8,covalent,SING,C2,H12,,,,,18071,bmse000897,1
9,covalent,SING,C2,H13,,,,,18071,bmse000897,1
10,covalent,SING,C1,C3,,,,,18071,bmse000897,1
11,covalent,SING,C1,H10,,,,,18071,bmse000897,1
12,covalent,SING,C1,H11,,,,,18071,bmse000897,1
13,covalent,SING,C3,N6,,,,,18071,bmse000897,1
14,covalent,SING,C3,H14,,,,,18071,bmse000897,1
15,covalent,SING,C3,H15,,,,,18071,bmse000897,1
16,covalent,SING,O9,H21,,,,,18071,bmse000897,1
17,covalent,SING,N7,H19,,,,,18071,bmse000897,1
18,covalent,SING,N7,H20,,,,,18071,bmse000897,1
19,covalent,SING,N6,H17,,,,,18071,bmse000897,1
20,covalent,SING,N6,H18,,,,,18071,bmse000897,1
1,covalent,SING,C5,C4,,,,,18086,bmse000898,1
2,covalent,SING,C5,O9,,,,,18086,bmse000898,1
3,covalent,SING,C5,O10,,,,,18086,bmse000898,1
4,covalent,SING,C5,H16,,,,,18086,bmse000898,1
5,covalent,SING,C4,C3,,,,,18086,bmse000898,1
6,covalent,SING,C4,O8,,,,,18086,bmse000898,1
7,covalent,SING,C4,H15,,,,,18086,bmse000898,1
8,covalent,SING,C3,C2,,,,,18086,bmse000898,1
9,covalent,SING,C3,O7,,,,,18086,bmse000898,1
10,covalent,SING,C3,H14,,,,,18086,bmse000898,1
11,covalent,SING,C2,C1,,,,,18086,bmse000898,1
12,covalent,SING,C2,O6,,,,,18086,bmse000898,1
13,covalent,SING,C2,H13,,,,,18086,bmse000898,1
14,covalent,SING,C1,O10,,,,,18086,bmse000898,1
15,covalent,SING,C1,H11,,,,,18086,bmse000898,1
16,covalent,SING,C1,H12,,,,,18086,bmse000898,1
17,covalent,SING,O9,H20,,,,,18086,bmse000898,1
18,covalent,SING,O8,H19,,,,,18086,bmse000898,1
19,covalent,SING,O7,H18,,,,,18086,bmse000898,1
20,covalent,SING,O6,H17,,,,,18086,bmse000898,1
1,covalent,SING,C4,N7,,,,,18101,bmse000899,1
2,covalent,SING,N7,H20,,,,,18101,bmse000899,1
3,covalent,SING,N7,H21,,,,,18101,bmse000899,1
4,covalent,SING,C4,C5,,,,,18101,bmse000899,1
5,covalent,SING,C4,C2,,,,,18101,bmse000899,1
6,covalent,SING,C4,H19,,,,,18101,bmse000899,1
7,covalent,DOUB,C5,O11,,,,,18101,bmse000899,1
8,covalent,SING,C5,O12,,,,,18101,bmse000899,1
9,covalent,SING,C2,C1,,,,,18101,bmse000899,1
10,covalent,SING,C2,H15,,,,,18101,bmse000899,1
11,covalent,SING,C2,H16,,,,,18101,bmse000899,1
12,covalent,SING,C1,C3,,,,,18101,bmse000899,1
13,covalent,SING,C1,H13,,,,,18101,bmse000899,1
14,covalent,SING,C1,H14,,,,,18101,bmse000899,1
15,covalent,SING,C3,N10,,,,,18101,bmse000899,1
16,covalent,SING,C3,H17,,,,,18101,bmse000899,1
17,covalent,SING,C3,H18,,,,,18101,bmse000899,1
18,covalent,DOUB,N10,C6,,,,,18101,bmse000899,1
19,covalent,SING,C6,N8,,,,,18101,bmse000899,1
20,covalent,SING,C6,N9,,,,,18101,bmse000899,1
21,covalent,SING,N8,H22,,,,,18101,bmse000899,1
22,covalent,SING,N8,H23,,,,,18101,bmse000899,1
23,covalent,SING,N9,H24,,,,,18101,bmse000899,1
24,covalent,SING,N9,H25,,,,,18101,bmse000899,1
25,covalent,SING,O12,H26,,,,,18101,bmse000899,1
1,covalent,DOUB,C1,C2,,,,,18115,bmse000900,1
2,covalent,SING,C1,C3,,,,,18115,bmse000900,1
3,covalent,SING,C1,H13,,,,,18115,bmse000900,1
4,covalent,SING,C2,C4,,,,,18115,bmse000900,1
5,covalent,SING,C2,H14,,,,,18115,bmse000900,1
6,covalent,DOUB,C3,C5,,,,,18115,bmse000900,1
7,covalent,SING,C3,H15,,,,,18115,bmse000900,1
8,covalent,DOUB,C4,C7,,,,,18115,bmse000900,1
9,covalent,SING,C4,H16,,,,,18115,bmse000900,1
10,covalent,SING,C5,C7,,,,,18115,bmse000900,1
11,covalent,SING,C5,H17,,,,,18115,bmse000900,1
12,covalent,SING,C6,C7,,,,,18115,bmse000900,1
13,covalent,SING,C6,C8,,,,,18115,bmse000900,1
14,covalent,SING,C6,H18,,,,,18115,bmse000900,1
15,covalent,SING,C6,H19,,,,,18115,bmse000900,1
16,covalent,SING,C8,C9,,,,,18115,bmse000900,1
17,covalent,SING,C8,N10,,,,,18115,bmse000900,1
18,covalent,SING,C8,H20,,,,,18115,bmse000900,1
19,covalent,SING,C9,O11,,,,,18115,bmse000900,1
20,covalent,DOUB,C9,O12,,,,,18115,bmse000900,1
21,covalent,SING,N10,H21,,,,,18115,bmse000900,1
22,covalent,SING,N10,H22,,,,,18115,bmse000900,1
23,covalent,SING,O11,H23,,,,,18115,bmse000900,1
1,covalent,SING,C5,C6,,,,,18129,bmse000901,1
2,covalent,SING,C5,C3,,,,,18129,bmse000901,1
3,covalent,SING,C5,O11,,,,,18129,bmse000901,1
4,covalent,SING,C5,H17,,,,,18129,bmse000901,1
5,covalent,SING,C6,C4,,,,,18129,bmse000901,1
6,covalent,SING,C6,O12,,,,,18129,bmse000901,1
7,covalent,SING,C6,H18,,,,,18129,bmse000901,1
8,covalent,SING,C3,C1,,,,,18129,bmse000901,1
9,covalent,SING,C3,O9,,,,,18129,bmse000901,1
10,covalent,SING,C3,H15,,,,,18129,bmse000901,1
11,covalent,SING,C1,C2,,,,,18129,bmse000901,1
12,covalent,SING,C1,O7,,,,,18129,bmse000901,1
13,covalent,SING,C1,H13,,,,,18129,bmse000901,1
14,covalent,SING,C4,C2,,,,,18129,bmse000901,1
15,covalent,SING,C4,O10,,,,,18129,bmse000901,1
16,covalent,SING,C4,H16,,,,,18129,bmse000901,1
17,covalent,SING,C2,O8,,,,,18129,bmse000901,1
18,covalent,SING,C2,H14,,,,,18129,bmse000901,1
19,covalent,SING,O12,H24,,,,,18129,bmse000901,1
20,covalent,SING,O10,H22,,,,,18129,bmse000901,1
21,covalent,SING,O11,H23,,,,,18129,bmse000901,1
22,covalent,SING,O8,H20,,,,,18129,bmse000901,1
23,covalent,SING,O9,H21,,,,,18129,bmse000901,1
24,covalent,SING,O7,H19,,,,,18129,bmse000901,1
1,covalent,SING,C6,C5,,,,,18143,bmse000902,1
2,covalent,SING,C6,O12,,,,,18143,bmse000902,1
3,covalent,SING,C6,C2,,,,,18143,bmse000902,1
4,covalent,SING,C6,O11,,,,,18143,bmse000902,1
5,covalent,SING,C5,C4,,,,,18143,bmse000902,1
6,covalent,SING,C5,O10,,,,,18143,bmse000902,1
7,covalent,SING,C5,H19,,,,,18143,bmse000902,1
8,covalent,SING,O12,C3,,,,,18143,bmse000902,1
9,covalent,SING,C2,O8,,,,,18143,bmse000902,1
10,covalent,SING,C2,H15,,,,,18143,bmse000902,1
11,covalent,SING,C2,H16,,,,,18143,bmse000902,1
12,covalent,SING,O11,H24,,,,,18143,bmse000902,1
13,covalent,SING,C4,C3,,,,,18143,bmse000902,1
14,covalent,SING,C4,O9,,,,,18143,bmse000902,1
15,covalent,SING,C4,H18,,,,,18143,bmse000902,1
16,covalent,SING,O10,H23,,,,,18143,bmse000902,1
17,covalent,SING,C3,C1,,,,,18143,bmse000902,1
18,covalent,SING,C3,H17,,,,,18143,bmse000902,1
19,covalent,SING,O8,H21,,,,,18143,bmse000902,1
20,covalent,SING,O9,H22,,,,,18143,bmse000902,1
21,covalent,SING,C1,O7,,,,,18143,bmse000902,1
22,covalent,SING,C1,H13,,,,,18143,bmse000902,1
23,covalent,SING,C1,H14,,,,,18143,bmse000902,1
24,covalent,SING,O7,H20,,,,,18143,bmse000902,1
1,covalent,SING,C6,C5,,,,,18157,bmse000903,1
2,covalent,SING,C6,O12,,,,,18157,bmse000903,1
3,covalent,SING,C6,C2,,,,,18157,bmse000903,1
4,covalent,SING,C6,O11,,,,,18157,bmse000903,1
5,covalent,SING,C5,C4,,,,,18157,bmse000903,1
6,covalent,SING,C5,O10,,,,,18157,bmse000903,1
7,covalent,SING,C5,H19,,,,,18157,bmse000903,1
8,covalent,SING,O12,C1,,,,,18157,bmse000903,1
9,covalent,SING,C2,O7,,,,,18157,bmse000903,1
10,covalent,SING,C2,H15,,,,,18157,bmse000903,1
11,covalent,SING,C2,H16,,,,,18157,bmse000903,1
12,covalent,SING,O11,H24,,,,,18157,bmse000903,1
13,covalent,SING,C4,C3,,,,,18157,bmse000903,1
14,covalent,SING,C4,O9,,,,,18157,bmse000903,1
15,covalent,SING,C4,H18,,,,,18157,bmse000903,1
16,covalent,SING,O10,H23,,,,,18157,bmse000903,1
17,covalent,SING,C1,C3,,,,,18157,bmse000903,1
18,covalent,SING,C1,H13,,,,,18157,bmse000903,1
19,covalent,SING,C1,H14,,,,,18157,bmse000903,1
20,covalent,SING,O7,H20,,,,,18157,bmse000903,1
21,covalent,SING,C3,O8,,,,,18157,bmse000903,1
22,covalent,SING,C3,H17,,,,,18157,bmse000903,1
23,covalent,SING,O9,H22,,,,,18157,bmse000903,1
24,covalent,SING,O8,H21,,,,,18157,bmse000903,1
1,covalent,SING,C1,C3,,,,,18172,bmse000904,1
2,covalent,SING,C1,C2,,,,,18172,bmse000904,1
3,covalent,SING,C1,H10,,,,,18172,bmse000904,1
4,covalent,SING,C1,H11,,,,,18172,bmse000904,1
5,covalent,SING,C4,C2,,,,,18172,bmse000904,1
6,covalent,DOUB,C4,O8,,,,,18172,bmse000904,1
7,covalent,SING,C4,O9,,,,,18172,bmse000904,1
8,covalent,DOUB,C3,O6,,,,,18172,bmse000904,1
9,covalent,SING,C3,O7,,,,,18172,bmse000904,1
10,covalent,SING,C2,O5,,,,,18172,bmse000904,1
11,covalent,SING,C2,H12,,,,,18172,bmse000904,1
12,covalent,SING,O9,H15,,,,,18172,bmse000904,1
13,covalent,SING,O7,H14,,,,,18172,bmse000904,1
14,covalent,SING,O5,H13,,,,,18172,bmse000904,1
1,covalent,SING,C3,C2,,,,,18186,bmse000905,1
2,covalent,SING,C3,C1,,,,,18186,bmse000905,1
3,covalent,SING,C3,O5,,,,,18186,bmse000905,1
4,covalent,SING,C3,H13,,,,,18186,bmse000905,1
5,covalent,SING,C2,C4,,,,,18186,bmse000905,1
6,covalent,SING,C2,H11,,,,,18186,bmse000905,1
7,covalent,SING,C2,H12,,,,,18186,bmse000905,1
8,covalent,SING,C4,O6,,,,,18186,bmse000905,1
9,covalent,DOUB,C4,O7,,,,,18186,bmse000905,1
10,covalent,SING,O6,H15,,,,,18186,bmse000905,1
11,covalent,SING,C1,H10,,,,,18186,bmse000905,1
12,covalent,SING,C1,H8,,,,,18186,bmse000905,1
13,covalent,SING,C1,H9,,,,,18186,bmse000905,1
14,covalent,SING,O5,H14,,,,,18186,bmse000905,1
1,covalent,SING,C9,N21,,,,,18201,bmse000906,1
2,covalent,SING,N21,H61,,,,,18201,bmse000906,1
3,covalent,SING,N21,H62,,,,,18201,bmse000906,1
4,covalent,SING,C9,C19,,,,,18201,bmse000906,1
5,covalent,SING,C9,C1,,,,,18201,bmse000906,1
6,covalent,SING,C9,H57,,,,,18201,bmse000906,1
7,covalent,DOUB,C19,O35,,,,,18201,bmse000906,1
8,covalent,SING,C19,O36,,,,,18201,bmse000906,1
9,covalent,SING,O36,H71,,,,,18201,bmse000906,1
10,covalent,SING,C1,C3,,,,,18201,bmse000906,1
11,covalent,SING,C1,H41,,,,,18201,bmse000906,1
12,covalent,SING,C1,H42,,,,,18201,bmse000906,1
13,covalent,SING,C3,C13,,,,,18201,bmse000906,1
14,covalent,SING,C3,H45,,,,,18201,bmse000906,1
15,covalent,SING,C3,H46,,,,,18201,bmse000906,1
16,covalent,DOUB,C13,O27,,,,,18201,bmse000906,1
17,covalent,SING,C13,N25,,,,,18201,bmse000906,1
18,covalent,SING,C11,N25,,,,,18201,bmse000906,1
19,covalent,SING,N25,H67,,,,,18201,bmse000906,1
20,covalent,SING,C11,C17,,,,,18201,bmse000906,1
21,covalent,SING,C11,C7,,,,,18201,bmse000906,1
22,covalent,SING,C11,H59,,,,,18201,bmse000906,1
23,covalent,DOUB,C17,O33,,,,,18201,bmse000906,1
24,covalent,SING,C17,N23,,,,,18201,bmse000906,1
25,covalent,SING,C7,S39,,,,,18201,bmse000906,1
26,covalent,SING,C7,H53,,,,,18201,bmse000906,1
27,covalent,SING,C7,H54,,,,,18201,bmse000906,1
28,covalent,SING,S39,S40,,,,,18201,bmse000906,1
29,covalent,SING,N23,C5,,,,,18201,bmse000906,1
30,covalent,SING,N23,H65,,,,,18201,bmse000906,1
31,covalent,SING,C5,C15,,,,,18201,bmse000906,1
32,covalent,SING,C5,H49,,,,,18201,bmse000906,1
33,covalent,SING,C5,H50,,,,,18201,bmse000906,1
34,covalent,DOUB,C15,O29,,,,,18201,bmse000906,1
35,covalent,SING,C15,O30,,,,,18201,bmse000906,1
36,covalent,SING,O30,H69,,,,,18201,bmse000906,1
37,covalent,SING,N24,C6,,,,,18201,bmse000906,1
38,covalent,SING,N24,C18,,,,,18201,bmse000906,1
39,covalent,SING,N24,H66,,,,,18201,bmse000906,1
40,covalent,SING,C6,C16,,,,,18201,bmse000906,1
41,covalent,SING,C6,H51,,,,,18201,bmse000906,1
42,covalent,SING,C6,H52,,,,,18201,bmse000906,1
43,covalent,DOUB,C16,O31,,,,,18201,bmse000906,1
44,covalent,SING,C16,O32,,,,,18201,bmse000906,1
45,covalent,SING,O32,H70,,,,,18201,bmse000906,1
46,covalent,DOUB,C18,O34,,,,,18201,bmse000906,1
47,covalent,SING,C18,C12,,,,,18201,bmse000906,1
48,covalent,SING,C12,N26,,,,,18201,bmse000906,1
49,covalent,SING,C12,C8,,,,,18201,bmse000906,1
50,covalent,SING,C12,H60,,,,,18201,bmse000906,1
51,covalent,SING,N26,C14,,,,,18201,bmse000906,1
52,covalent,SING,N26,H68,,,,,18201,bmse000906,1
53,covalent,SING,C8,S40,,,,,18201,bmse000906,1
54,covalent,SING,C8,H55,,,,,18201,bmse000906,1
55,covalent,SING,C8,H56,,,,,18201,bmse000906,1
56,covalent,SING,C10,C20,,,,,18201,bmse000906,1
57,covalent,SING,C10,N22,,,,,18201,bmse000906,1
58,covalent,SING,C10,C2,,,,,18201,bmse000906,1
59,covalent,SING,C10,H58,,,,,18201,bmse000906,1
60,covalent,DOUB,C20,O37,,,,,18201,bmse000906,1
61,covalent,SING,C20,O38,,,,,18201,bmse000906,1
62,covalent,SING,O38,H72,,,,,18201,bmse000906,1
63,covalent,SING,N22,H63,,,,,18201,bmse000906,1
64,covalent,SING,N22,H64,,,,,18201,bmse000906,1
65,covalent,SING,C2,C4,,,,,18201,bmse000906,1
66,covalent,SING,C2,H43,,,,,18201,bmse000906,1
67,covalent,SING,C2,H44,,,,,18201,bmse000906,1
68,covalent,SING,C4,C14,,,,,18201,bmse000906,1
69,covalent,SING,C4,H47,,,,,18201,bmse000906,1
70,covalent,SING,C4,H48,,,,,18201,bmse000906,1
71,covalent,DOUB,C14,O28,,,,,18201,bmse000906,1
1,covalent,SING,Cl11,C8,,,,,18216,bmse000907,1
2,covalent,SING,O19,C10,,,,,18216,bmse000907,1
3,covalent,SING,O19,C4,,,,,18216,bmse000907,1
4,covalent,SING,C7,O18,,,,,18216,bmse000907,1
5,covalent,SING,O18,H30,,,,,18216,bmse000907,1
6,covalent,SING,C6,O17,,,,,18216,bmse000907,1
7,covalent,SING,O17,H29,,,,,18216,bmse000907,1
8,covalent,SING,O16,C1,,,,,18216,bmse000907,1
9,covalent,SING,O16,H28,,,,,18216,bmse000907,1
10,covalent,SING,C10,N15,,,,,18216,bmse000907,1
11,covalent,SING,N15,C9,,,,,18216,bmse000907,1
12,covalent,SING,N15,C3,,,,,18216,bmse000907,1
13,covalent,DOUB,N14,C3,,,,,18216,bmse000907,1
14,covalent,SING,N14,C5,,,,,18216,bmse000907,1
15,covalent,SING,N13,C9,,,,,18216,bmse000907,1
16,covalent,DOUB,N13,C2,,,,,18216,bmse000907,1
17,covalent,DOUB,N12,C8,,,,,18216,bmse000907,1
18,covalent,SING,N12,C2,,,,,18216,bmse000907,1
19,covalent,SING,C7,C10,,,,,18216,bmse000907,1
20,covalent,SING,C7,C6,,,,,18216,bmse000907,1
21,covalent,SING,C7,H26,,,,,18216,bmse000907,1
22,covalent,SING,C10,H27,,,,,18216,bmse000907,1
23,covalent,SING,C6,C4,,,,,18216,bmse000907,1
24,covalent,SING,C6,H25,,,,,18216,bmse000907,1
25,covalent,SING,C4,C1,,,,,18216,bmse000907,1
26,covalent,SING,C4,H24,,,,,18216,bmse000907,1
27,covalent,SING,C1,H20,,,,,18216,bmse000907,1
28,covalent,SING,C1,H21,,,,,18216,bmse000907,1
29,covalent,DOUB,C9,C5,,,,,18216,bmse000907,1
30,covalent,SING,C3,H23,,,,,18216,bmse000907,1
31,covalent,SING,C5,C8,,,,,18216,bmse000907,1
32,covalent,SING,C2,H22,,,,,18216,bmse000907,1
1,covalent,SING,C20,O26,,,,,18231,bmse000908,1
2,covalent,SING,O26,H67,,,,,18231,bmse000908,1
3,covalent,SING,C16,O25,,,,,18231,bmse000908,1
4,covalent,SING,O25,H66,,,,,18231,bmse000908,1
5,covalent,SING,O27,C21,,,,,18231,bmse000908,1
6,covalent,SING,O27,H68,,,,,18231,bmse000908,1
7,covalent,DOUB,O28,C21,,,,,18231,bmse000908,1
8,covalent,SING,C18,C24,,,,,18231,bmse000908,1
9,covalent,SING,C18,C22,,,,,18231,bmse000908,1
10,covalent,SING,C18,C6,,,,,18231,bmse000908,1
11,covalent,SING,C18,H62,,,,,18231,bmse000908,1
12,covalent,SING,C24,C17,,,,,18231,bmse000908,1
13,covalent,SING,C24,C11,,,,,18231,bmse000908,1
14,covalent,SING,C24,C3,,,,,18231,bmse000908,1
15,covalent,SING,C22,C19,,,,,18231,bmse000908,1
16,covalent,SING,C22,C20,,,,,18231,bmse000908,1
17,covalent,SING,C22,H65,,,,,18231,bmse000908,1
18,covalent,SING,C19,C23,,,,,18231,bmse000908,1
19,covalent,SING,C19,C9,,,,,18231,bmse000908,1
20,covalent,SING,C19,H63,,,,,18231,bmse000908,1
21,covalent,SING,C23,C15,,,,,18231,bmse000908,1
22,covalent,SING,C23,C10,,,,,18231,bmse000908,1
23,covalent,SING,C23,C2,,,,,18231,bmse000908,1
24,covalent,SING,C17,C5,,,,,18231,bmse000908,1
25,covalent,SING,C17,C14,,,,,18231,bmse000908,1
26,covalent,SING,C17,H61,,,,,18231,bmse000908,1
27,covalent,SING,C15,C13,,,,,18231,bmse000908,1
28,covalent,SING,C15,C12,,,,,18231,bmse000908,1
29,covalent,SING,C15,H59,,,,,18231,bmse000908,1
30,covalent,SING,C11,C9,,,,,18231,bmse000908,1
31,covalent,SING,C11,H52,,,,,18231,bmse000908,1
32,covalent,SING,C11,H53,,,,,18231,bmse000908,1
33,covalent,SING,C9,H48,,,,,18231,bmse000908,1
34,covalent,SING,C9,H49,,,,,18231,bmse000908,1
35,covalent,SING,C20,C13,,,,,18231,bmse000908,1
36,covalent,SING,C20,H64,,,,,18231,bmse000908,1
37,covalent,SING,C6,C5,,,,,18231,bmse000908,1
38,covalent,SING,C6,H42,,,,,18231,bmse000908,1
39,covalent,SING,C6,H43,,,,,18231,bmse000908,1
40,covalent,SING,C5,H40,,,,,18231,bmse000908,1
41,covalent,SING,C5,H41,,,,,18231,bmse000908,1
42,covalent,SING,C13,H56,,,,,18231,bmse000908,1
43,covalent,SING,C13,H57,,,,,18231,bmse000908,1
44,covalent,SING,C10,C8,,,,,18231,bmse000908,1
45,covalent,SING,C10,H50,,,,,18231,bmse000908,1
46,covalent,SING,C10,H51,,,,,18231,bmse000908,1
47,covalent,SING,C3,H35,,,,,18231,bmse000908,1
48,covalent,SING,C3,H37,,,,,18231,bmse000908,1
49,covalent,SING,C3,H36,,,,,18231,bmse000908,1
50,covalent,SING,C14,C4,,,,,18231,bmse000908,1
51,covalent,SING,C14,C1,,,,,18231,bmse000908,1
52,covalent,SING,C14,H58,,,,,18231,bmse000908,1
53,covalent,SING,C12,C16,,,,,18231,bmse000908,1
54,covalent,SING,C12,H54,,,,,18231,bmse000908,1
55,covalent,SING,C12,H55,,,,,18231,bmse000908,1
56,covalent,SING,C2,H32,,,,,18231,bmse000908,1
57,covalent,SING,C2,H34,,,,,18231,bmse000908,1
58,covalent,SING,C2,H33,,,,,18231,bmse000908,1
59,covalent,SING,C8,C16,,,,,18231,bmse000908,1
60,covalent,SING,C8,H46,,,,,18231,bmse000908,1
61,covalent,SING,C8,H47,,,,,18231,bmse000908,1
62,covalent,SING,C16,H60,,,,,18231,bmse000908,1
63,covalent,SING,C4,C7,,,,,18231,bmse000908,1
64,covalent,SING,C4,H38,,,,,18231,bmse000908,1
65,covalent,SING,C4,H39,,,,,18231,bmse000908,1
66,covalent,SING,C1,H30,,,,,18231,bmse000908,1
67,covalent,SING,C1,H31,,,,,18231,bmse000908,1
68,covalent,SING,C1,H29,,,,,18231,bmse000908,1
69,covalent,SING,C7,C21,,,,,18231,bmse000908,1
70,covalent,SING,C7,H44,,,,,18231,bmse000908,1
71,covalent,SING,C7,H45,,,,,18231,bmse000908,1
1,covalent,SING,O11,C8,,,,,18251,bmse000909,1
2,covalent,SING,O11,H22,,,,,18251,bmse000909,1
3,covalent,SING,O10,C7,,,,,18251,bmse000909,1
4,covalent,SING,O10,H21,,,,,18251,bmse000909,1
5,covalent,SING,N9,C4,,,,,18251,bmse000909,1
6,covalent,SING,N9,H19,,,,,18251,bmse000909,1
7,covalent,SING,N9,H20,,,,,18251,bmse000909,1
8,covalent,SING,C3,C6,,,,,18251,bmse000909,1
9,covalent,SING,C3,C4,,,,,18251,bmse000909,1
10,covalent,SING,C3,H14,,,,,18251,bmse000909,1
11,covalent,SING,C3,H15,,,,,18251,bmse000909,1
12,covalent,DOUB,C6,C5,,,,,18251,bmse000909,1
13,covalent,SING,C6,C1,,,,,18251,bmse000909,1
14,covalent,SING,C4,H16,,,,,18251,bmse000909,1
15,covalent,SING,C4,H17,,,,,18251,bmse000909,1
16,covalent,SING,C5,C8,,,,,18251,bmse000909,1
17,covalent,SING,C5,H18,,,,,18251,bmse000909,1
18,covalent,DOUB,C1,C2,,,,,18251,bmse000909,1
19,covalent,SING,C1,H12,,,,,18251,bmse000909,1
20,covalent,DOUB,C8,C7,,,,,18251,bmse000909,1
21,covalent,SING,C2,C7,,,,,18251,bmse000909,1
22,covalent,SING,C2,H13,,,,,18251,bmse000909,1
1,covalent,SING,C10,O23,,,,,18270,bmse000910,1
2,covalent,SING,C12,O23,,,,,18270,bmse000910,1
3,covalent,SING,O22,C12,,,,,18270,bmse000910,1
4,covalent,SING,O22,C4,,,,,18270,bmse000910,1
5,covalent,SING,O21,C3,,,,,18270,bmse000910,1
6,covalent,SING,O21,C11,,,,,18270,bmse000910,1
7,covalent,SING,C8,O18,,,,,18270,bmse000910,1
8,covalent,SING,O18,H43,,,,,18270,bmse000910,1
9,covalent,SING,C9,O19,,,,,18270,bmse000910,1
10,covalent,SING,O19,H44,,,,,18270,bmse000910,1
11,covalent,SING,C7,O17,,,,,18270,bmse000910,1
12,covalent,SING,O17,H42,,,,,18270,bmse000910,1
13,covalent,SING,C6,O16,,,,,18270,bmse000910,1
14,covalent,SING,O16,H41,,,,,18270,bmse000910,1
15,covalent,SING,C5,O15,,,,,18270,bmse000910,1
16,covalent,SING,O15,H40,,,,,18270,bmse000910,1
17,covalent,SING,O20,C11,,,,,18270,bmse000910,1
18,covalent,SING,O20,H45,,,,,18270,bmse000910,1
19,covalent,SING,O14,C2,,,,,18270,bmse000910,1
20,covalent,SING,O14,H39,,,,,18270,bmse000910,1
21,covalent,SING,O13,C1,,,,,18270,bmse000910,1
22,covalent,SING,O13,H38,,,,,18270,bmse000910,1
23,covalent,SING,C10,C8,,,,,18270,bmse000910,1
24,covalent,SING,C10,C11,,,,,18270,bmse000910,1
25,covalent,SING,C10,H35,,,,,18270,bmse000910,1
26,covalent,SING,C8,C6,,,,,18270,bmse000910,1
27,covalent,SING,C8,H33,,,,,18270,bmse000910,1
28,covalent,SING,C12,C9,,,,,18270,bmse000910,1
29,covalent,SING,C12,H37,,,,,18270,bmse000910,1
30,covalent,SING,C9,C7,,,,,18270,bmse000910,1
31,covalent,SING,C9,H34,,,,,18270,bmse000910,1
32,covalent,SING,C7,C5,,,,,18270,bmse000910,1
33,covalent,SING,C7,H32,,,,,18270,bmse000910,1
34,covalent,SING,C6,C3,,,,,18270,bmse000910,1
35,covalent,SING,C6,H31,,,,,18270,bmse000910,1
36,covalent,SING,C5,C4,,,,,18270,bmse000910,1
37,covalent,SING,C5,H30,,,,,18270,bmse000910,1
38,covalent,SING,C4,C2,,,,,18270,bmse000910,1
39,covalent,SING,C4,H29,,,,,18270,bmse000910,1
40,covalent,SING,C3,C1,,,,,18270,bmse000910,1
41,covalent,SING,C3,H28,,,,,18270,bmse000910,1
42,covalent,SING,C11,H36,,,,,18270,bmse000910,1
43,covalent,SING,C2,H26,,,,,18270,bmse000910,1
44,covalent,SING,C2,H27,,,,,18270,bmse000910,1
45,covalent,SING,C1,H24,,,,,18270,bmse000910,1
46,covalent,SING,C1,H25,,,,,18270,bmse000910,1
1,covalent,SING,C6,O16,,,,,18289,bmse000911,1
2,covalent,SING,O16,H32,,,,,18289,bmse000911,1
3,covalent,SING,C3,O15,,,,,18289,bmse000911,1
4,covalent,SING,O15,H31,,,,,18289,bmse000911,1
5,covalent,DOUB,O17,C8,,,,,18289,bmse000911,1
6,covalent,SING,N12,C4,,,,,18289,bmse000911,1
7,covalent,SING,N12,C5,,,,,18289,bmse000911,1
8,covalent,SING,N12,H29,,,,,18289,bmse000911,1
9,covalent,SING,N11,C2,,,,,18289,bmse000911,1
10,covalent,SING,N11,C7,,,,,18289,bmse000911,1
11,covalent,SING,N11,H28,,,,,18289,bmse000911,1
12,covalent,SING,N13,C7,,,,,18289,bmse000911,1
13,covalent,SING,N13,C9,,,,,18289,bmse000911,1
14,covalent,SING,N13,H30,,,,,18289,bmse000911,1
15,covalent,SING,N14,C8,,,,,18289,bmse000911,1
16,covalent,DOUB,N14,C9,,,,,18289,bmse000911,1
17,covalent,SING,N10,C9,,,,,18289,bmse000911,1
18,covalent,SING,N10,H26,,,,,18289,bmse000911,1
19,covalent,SING,N10,H27,,,,,18289,bmse000911,1
20,covalent,SING,C4,C6,,,,,18289,bmse000911,1
21,covalent,SING,C4,C2,,,,,18289,bmse000911,1
22,covalent,SING,C4,H24,,,,,18289,bmse000911,1
23,covalent,SING,C6,C3,,,,,18289,bmse000911,1
24,covalent,SING,C6,H25,,,,,18289,bmse000911,1
25,covalent,SING,C2,H21,,,,,18289,bmse000911,1
26,covalent,SING,C2,H22,,,,,18289,bmse000911,1
27,covalent,SING,C3,C1,,,,,18289,bmse000911,1
28,covalent,SING,C3,H23,,,,,18289,bmse000911,1
29,covalent,DOUB,C5,C7,,,,,18289,bmse000911,1
30,covalent,SING,C5,C8,,,,,18289,bmse000911,1
31,covalent,SING,C1,H19,,,,,18289,bmse000911,1
32,covalent,SING,C1,H20,,,,,18289,bmse000911,1
33,covalent,SING,C1,H18,,,,,18289,bmse000911,1
1,covalent,SING,C2,N5,,,,,18308,bmse000912,1
2,covalent,SING,N5,H13,,,,,18308,bmse000912,1
3,covalent,SING,N5,H14,,,,,18308,bmse000912,1
4,covalent,SING,C2,C4,,,,,18308,bmse000912,1
5,covalent,SING,C2,C1,,,,,18308,bmse000912,1
6,covalent,SING,C2,H12,,,,,18308,bmse000912,1
7,covalent,DOUB,C4,O8,,,,,18308,bmse000912,1
8,covalent,SING,C4,O9,,,,,18308,bmse000912,1
9,covalent,SING,C1,C3,,,,,18308,bmse000912,1
10,covalent,SING,C1,H10,,,,,18308,bmse000912,1
11,covalent,SING,C1,H11,,,,,18308,bmse000912,1
12,covalent,DOUB,C3,O7,,,,,18308,bmse000912,1
13,covalent,SING,C3,N6,,,,,18308,bmse000912,1
14,covalent,SING,N6,H15,,,,,18308,bmse000912,1
15,covalent,SING,N6,H16,,,,,18308,bmse000912,1
16,covalent,SING,O9,H17,,,,,18308,bmse000912,1
1,covalent,DOUB,C5,O9,,,,,18322,bmse000913,1
2,covalent,SING,C5,C3,,,,,18322,bmse000913,1
3,covalent,SING,C5,O10,,,,,18322,bmse000913,1
4,covalent,DOUB,C4,O7,,,,,18322,bmse000913,1
5,covalent,SING,C4,C2,,,,,18322,bmse000913,1
6,covalent,SING,C4,O8,,,,,18322,bmse000913,1
7,covalent,SING,C3,C1,,,,,18322,bmse000913,1
8,covalent,SING,C3,N6,,,,,18322,bmse000913,1
9,covalent,SING,C3,H15,,,,,18322,bmse000913,1
10,covalent,SING,C1,C2,,,,,18322,bmse000913,1
11,covalent,SING,C1,H11,,,,,18322,bmse000913,1
12,covalent,SING,C1,H12,,,,,18322,bmse000913,1
13,covalent,SING,C2,H13,,,,,18322,bmse000913,1
14,covalent,SING,C2,H14,,,,,18322,bmse000913,1
15,covalent,SING,O10,H19,,,,,18322,bmse000913,1
16,covalent,SING,N6,H16,,,,,18322,bmse000913,1
17,covalent,SING,N6,H17,,,,,18322,bmse000913,1
18,covalent,SING,O8,H18,,,,,18322,bmse000913,1
1,covalent,SING,C5,N8,,,,,18336,bmse000914,1
2,covalent,SING,N8,H22,,,,,18336,bmse000914,1
3,covalent,SING,N8,H23,,,,,18336,bmse000914,1
4,covalent,SING,C5,C6,,,,,18336,bmse000914,1
5,covalent,SING,C5,C3,,,,,18336,bmse000914,1
6,covalent,SING,C5,H19,,,,,18336,bmse000914,1
7,covalent,DOUB,C6,O9,,,,,18336,bmse000914,1
8,covalent,SING,C6,O10,,,,,18336,bmse000914,1
9,covalent,SING,C3,C1,,,,,18336,bmse000914,1
10,covalent,SING,C3,H15,,,,,18336,bmse000914,1
11,covalent,SING,C3,H16,,,,,18336,bmse000914,1
12,covalent,SING,C1,C2,,,,,18336,bmse000914,1
13,covalent,SING,C1,H11,,,,,18336,bmse000914,1
14,covalent,SING,C1,H12,,,,,18336,bmse000914,1
15,covalent,SING,C2,C4,,,,,18336,bmse000914,1
16,covalent,SING,C2,H13,,,,,18336,bmse000914,1
17,covalent,SING,C2,H14,,,,,18336,bmse000914,1
18,covalent,SING,C4,N7,,,,,18336,bmse000914,1
19,covalent,SING,C4,H17,,,,,18336,bmse000914,1
20,covalent,SING,C4,H18,,,,,18336,bmse000914,1
21,covalent,SING,N7,H20,,,,,18336,bmse000914,1
22,covalent,SING,N7,H21,,,,,18336,bmse000914,1
23,covalent,SING,O10,H24,,,,,18336,bmse000914,1
1,covalent,SING,C4,N6,,,,,18350,bmse000915,1
2,covalent,SING,N6,H18,,,,,18350,bmse000915,1
3,covalent,SING,N6,H19,,,,,18350,bmse000915,1
4,covalent,SING,C4,C5,,,,,18350,bmse000915,1
5,covalent,SING,C4,C2,,,,,18350,bmse000915,1
6,covalent,SING,C4,H17,,,,,18350,bmse000915,1
7,covalent,DOUB,C5,O7,,,,,18350,bmse000915,1
8,covalent,SING,C5,O8,,,,,18350,bmse000915,1
9,covalent,SING,C2,C3,,,,,18350,bmse000915,1
10,covalent,SING,C2,H13,,,,,18350,bmse000915,1
11,covalent,SING,C2,H14,,,,,18350,bmse000915,1
12,covalent,SING,C3,S9,,,,,18350,bmse000915,1
13,covalent,SING,C3,H15,,,,,18350,bmse000915,1
14,covalent,SING,C3,H16,,,,,18350,bmse000915,1
15,covalent,SING,S9,C1,,,,,18350,bmse000915,1
16,covalent,SING,C1,H10,,,,,18350,bmse000915,1
17,covalent,SING,C1,H12,,,,,18350,bmse000915,1
18,covalent,SING,C1,H11,,,,,18350,bmse000915,1
19,covalent,SING,O8,H20,,,,,18350,bmse000915,1
1,covalent,SING,H11,C1,,,,,18364,bmse000916,1
2,covalent,SING,H12,C2,,,,,18364,bmse000916,1
3,covalent,SING,H13,C3,,,,,18364,bmse000916,1
4,covalent,SING,H14,C4,,,,,18364,bmse000916,1
5,covalent,SING,H15,N8,,,,,18364,bmse000916,1
6,covalent,SING,H16,N8,,,,,18364,bmse000916,1
7,covalent,SING,H17,O10,,,,,18364,bmse000916,1
8,covalent,DOUB,C1,C3,,,,,18364,bmse000916,1
9,covalent,SING,C1,C5,,,,,18364,bmse000916,1
10,covalent,SING,C2,C4,,,,,18364,bmse000916,1
11,covalent,DOUB,C2,C5,,,,,18364,bmse000916,1
12,covalent,SING,C3,C6,,,,,18364,bmse000916,1
13,covalent,DOUB,C4,C6,,,,,18364,bmse000916,1
14,covalent,SING,C5,C7,,,,,18364,bmse000916,1
15,covalent,SING,C6,N8,,,,,18364,bmse000916,1
16,covalent,DOUB,C7,O9,,,,,18364,bmse000916,1
17,covalent,SING,C7,O10,,,,,18364,bmse000916,1
1,covalent,DOUB,C1,C2,,,,,18378,bmse000917,1
2,covalent,SING,C1,C3,,,,,18378,bmse000917,1
3,covalent,SING,C1,H11,,,,,18378,bmse000917,1
4,covalent,SING,C2,C4,,,,,18378,bmse000917,1
5,covalent,SING,C2,H12,,,,,18378,bmse000917,1
6,covalent,DOUB,C3,C5,,,,,18378,bmse000917,1
7,covalent,SING,C3,H13,,,,,18378,bmse000917,1
8,covalent,DOUB,C4,C6,,,,,18378,bmse000917,1
9,covalent,SING,C4,H14,,,,,18378,bmse000917,1
10,covalent,SING,C5,C6,,,,,18378,bmse000917,1
11,covalent,SING,C5,C7,,,,,18378,bmse000917,1
12,covalent,SING,C6,N8,,,,,18378,bmse000917,1
13,covalent,SING,C7,O9,,,,,18378,bmse000917,1
14,covalent,DOUB,C7,O10,,,,,18378,bmse000917,1
15,covalent,SING,N8,H15,,,,,18378,bmse000917,1
16,covalent,SING,N8,H16,,,,,18378,bmse000917,1
17,covalent,SING,O9,H17,,,,,18378,bmse000917,1
1,covalent,SING,C11,C9,,,,,18392,bmse000918,1
2,covalent,SING,C11,O23,,,,,18392,bmse000918,1
3,covalent,SING,C11,O21,,,,,18392,bmse000918,1
4,covalent,SING,C11,H37,,,,,18392,bmse000918,1
5,covalent,SING,C9,C8,,,,,18392,bmse000918,1
6,covalent,SING,C9,O19,,,,,18392,bmse000918,1
7,covalent,SING,C9,H35,,,,,18392,bmse000918,1
8,covalent,SING,C8,C6,,,,,18392,bmse000918,1
9,covalent,SING,C8,O18,,,,,18392,bmse000918,1
10,covalent,SING,C8,H34,,,,,18392,bmse000918,1
11,covalent,SING,C6,C4,,,,,18392,bmse000918,1
12,covalent,SING,C6,O16,,,,,18392,bmse000918,1
13,covalent,SING,C6,H32,,,,,18392,bmse000918,1
14,covalent,SING,C4,C1,,,,,18392,bmse000918,1
15,covalent,SING,C4,O21,,,,,18392,bmse000918,1
16,covalent,SING,C4,H30,,,,,18392,bmse000918,1
17,covalent,SING,C1,O13,,,,,18392,bmse000918,1
18,covalent,SING,C1,H24,,,,,18392,bmse000918,1
19,covalent,SING,C1,H25,,,,,18392,bmse000918,1
20,covalent,SING,C12,O23,,,,,18392,bmse000918,1
21,covalent,SING,O19,H44,,,,,18392,bmse000918,1
22,covalent,SING,O18,H43,,,,,18392,bmse000918,1
23,covalent,SING,O16,H41,,,,,18392,bmse000918,1
24,covalent,SING,O13,H38,,,,,18392,bmse000918,1
25,covalent,SING,C12,C10,,,,,18392,bmse000918,1
26,covalent,SING,C12,O22,,,,,18392,bmse000918,1
27,covalent,SING,C12,C3,,,,,18392,bmse000918,1
28,covalent,SING,C10,C7,,,,,18392,bmse000918,1
29,covalent,SING,C10,O20,,,,,18392,bmse000918,1
30,covalent,SING,C10,H36,,,,,18392,bmse000918,1
31,covalent,SING,C7,C5,,,,,18392,bmse000918,1
32,covalent,SING,C7,O17,,,,,18392,bmse000918,1
33,covalent,SING,C7,H33,,,,,18392,bmse000918,1
34,covalent,SING,C5,C2,,,,,18392,bmse000918,1
35,covalent,SING,C5,O22,,,,,18392,bmse000918,1
36,covalent,SING,C5,H31,,,,,18392,bmse000918,1
37,covalent,SING,C2,O14,,,,,18392,bmse000918,1
38,covalent,SING,C2,H26,,,,,18392,bmse000918,1
39,covalent,SING,C2,H27,,,,,18392,bmse000918,1
40,covalent,SING,O20,H45,,,,,18392,bmse000918,1
41,covalent,SING,O17,H42,,,,,18392,bmse000918,1
42,covalent,SING,O14,H39,,,,,18392,bmse000918,1
43,covalent,SING,C3,O15,,,,,18392,bmse000918,1
44,covalent,SING,C3,H28,,,,,18392,bmse000918,1
45,covalent,SING,C3,H29,,,,,18392,bmse000918,1
46,covalent,SING,O15,H40,,,,,18392,bmse000918,1
1,covalent,SING,C4,N7,,,,,18406,bmse000919,1
2,covalent,SING,N7,H20,,,,,18406,bmse000919,1
3,covalent,SING,N7,H21,,,,,18406,bmse000919,1
4,covalent,SING,C4,C5,,,,,18406,bmse000919,1
5,covalent,SING,C4,C2,,,,,18406,bmse000919,1
6,covalent,SING,C4,H19,,,,,18406,bmse000919,1
7,covalent,DOUB,C5,O11,,,,,18406,bmse000919,1
8,covalent,SING,C5,O12,,,,,18406,bmse000919,1
9,covalent,SING,C2,C1,,,,,18406,bmse000919,1
10,covalent,SING,C2,H15,,,,,18406,bmse000919,1
11,covalent,SING,C2,H16,,,,,18406,bmse000919,1
12,covalent,SING,C1,C3,,,,,18406,bmse000919,1
13,covalent,SING,C1,H13,,,,,18406,bmse000919,1
14,covalent,SING,C1,H14,,,,,18406,bmse000919,1
15,covalent,SING,C3,N10,,,,,18406,bmse000919,1
16,covalent,SING,C3,H17,,,,,18406,bmse000919,1
17,covalent,SING,C3,H18,,,,,18406,bmse000919,1
18,covalent,DOUB,N10,C6,,,,,18406,bmse000919,1
19,covalent,SING,C6,N8,,,,,18406,bmse000919,1
20,covalent,SING,C6,N9,,,,,18406,bmse000919,1
21,covalent,SING,N8,H22,,,,,18406,bmse000919,1
22,covalent,SING,N8,H23,,,,,18406,bmse000919,1
23,covalent,SING,N9,H24,,,,,18406,bmse000919,1
24,covalent,SING,N9,H25,,,,,18406,bmse000919,1
25,covalent,SING,O12,H26,,,,,18406,bmse000919,1
1,covalent,SING,C5,N7,,,,,18420,bmse000920,1
2,covalent,SING,N7,H20,,,,,18420,bmse000920,1
3,covalent,SING,N7,H21,,,,,18420,bmse000920,1
4,covalent,SING,C5,C6,,,,,18420,bmse000920,1
5,covalent,SING,C5,C3,,,,,18420,bmse000920,1
6,covalent,SING,C5,H19,,,,,18420,bmse000920,1
7,covalent,DOUB,C6,O8,,,,,18420,bmse000920,1
8,covalent,SING,C6,O9,,,,,18420,bmse000920,1
9,covalent,SING,C3,C4,,,,,18420,bmse000920,1
10,covalent,SING,C3,H16,,,,,18420,bmse000920,1
11,covalent,SING,C3,H17,,,,,18420,bmse000920,1
12,covalent,SING,C4,C1,,,,,18420,bmse000920,1
13,covalent,SING,C4,C2,,,,,18420,bmse000920,1
14,covalent,SING,C4,H18,,,,,18420,bmse000920,1
15,covalent,SING,C1,H12,,,,,18420,bmse000920,1
16,covalent,SING,C1,H10,,,,,18420,bmse000920,1
17,covalent,SING,C1,H11,,,,,18420,bmse000920,1
18,covalent,SING,C2,H13,,,,,18420,bmse000920,1
19,covalent,SING,C2,H14,,,,,18420,bmse000920,1
20,covalent,SING,C2,H15,,,,,18420,bmse000920,1
21,covalent,SING,O9,H22,,,,,18420,bmse000920,1
1,covalent,DOUB,C1,C2,,,,,18434,bmse000921,1
2,covalent,SING,C1,C3,,,,,18434,bmse000921,1
3,covalent,SING,C1,H13,,,,,18434,bmse000921,1
4,covalent,SING,C2,C4,,,,,18434,bmse000921,1
5,covalent,SING,C2,H14,,,,,18434,bmse000921,1
6,covalent,DOUB,C3,C5,,,,,18434,bmse000921,1
7,covalent,SING,C3,H15,,,,,18434,bmse000921,1
8,covalent,DOUB,C4,C7,,,,,18434,bmse000921,1
9,covalent,SING,C4,H16,,,,,18434,bmse000921,1
10,covalent,SING,C5,C7,,,,,18434,bmse000921,1
11,covalent,SING,C5,H17,,,,,18434,bmse000921,1
12,covalent,SING,C6,C7,,,,,18434,bmse000921,1
13,covalent,SING,C6,C8,,,,,18434,bmse000921,1
14,covalent,SING,C6,H18,,,,,18434,bmse000921,1
15,covalent,SING,C6,H19,,,,,18434,bmse000921,1
16,covalent,SING,C8,C9,,,,,18434,bmse000921,1
17,covalent,SING,C8,N10,,,,,18434,bmse000921,1
18,covalent,SING,C8,H20,,,,,18434,bmse000921,1
19,covalent,SING,C9,O11,,,,,18434,bmse000921,1
20,covalent,DOUB,C9,O12,,,,,18434,bmse000921,1
21,covalent,SING,N10,H21,,,,,18434,bmse000921,1
22,covalent,SING,N10,H22,,,,,18434,bmse000921,1
23,covalent,SING,O11,H23,,,,,18434,bmse000921,1
1,covalent,SING,C5,C6,,,,,18448,bmse000922,1
2,covalent,SING,C5,C3,,,,,18448,bmse000922,1
3,covalent,SING,C5,O11,,,,,18448,bmse000922,1
4,covalent,SING,C5,H17,,,,,18448,bmse000922,1
5,covalent,SING,C6,C4,,,,,18448,bmse000922,1
6,covalent,SING,C6,O12,,,,,18448,bmse000922,1
7,covalent,SING,C6,H18,,,,,18448,bmse000922,1
8,covalent,SING,C3,C1,,,,,18448,bmse000922,1
9,covalent,SING,C3,O9,,,,,18448,bmse000922,1
10,covalent,SING,C3,H15,,,,,18448,bmse000922,1
11,covalent,SING,C1,C2,,,,,18448,bmse000922,1
12,covalent,SING,C1,O7,,,,,18448,bmse000922,1
13,covalent,SING,C1,H13,,,,,18448,bmse000922,1
14,covalent,SING,C4,C2,,,,,18448,bmse000922,1
15,covalent,SING,C4,O10,,,,,18448,bmse000922,1
16,covalent,SING,C4,H16,,,,,18448,bmse000922,1
17,covalent,SING,C2,O8,,,,,18448,bmse000922,1
18,covalent,SING,C2,H14,,,,,18448,bmse000922,1
19,covalent,SING,O12,H24,,,,,18448,bmse000922,1
20,covalent,SING,O10,H22,,,,,18448,bmse000922,1
21,covalent,SING,O11,H23,,,,,18448,bmse000922,1
22,covalent,SING,O8,H20,,,,,18448,bmse000922,1
23,covalent,SING,O9,H21,,,,,18448,bmse000922,1
24,covalent,SING,O7,H19,,,,,18448,bmse000922,1
1,covalent,SING,I19,C11,,,,,18462,bmse000923,1
2,covalent,SING,I18,C10,,,,,18462,bmse000923,1
3,covalent,SING,I17,C9,,,,,18462,bmse000923,1
4,covalent,SING,I16,C8,,,,,18462,bmse000923,1
5,covalent,SING,O24,C14,,,,,18462,bmse000923,1
6,covalent,SING,O24,C7,,,,,18462,bmse000923,1
7,covalent,SING,O22,C15,,,,,18462,bmse000923,1
8,covalent,SING,O22,H35,,,,,18462,bmse000923,1
9,covalent,DOUB,O23,C15,,,,,18462,bmse000923,1
10,covalent,SING,O21,C13,,,,,18462,bmse000923,1
11,covalent,SING,O21,H34,,,,,18462,bmse000923,1
12,covalent,SING,C12,N20,,,,,18462,bmse000923,1
13,covalent,SING,N20,H32,,,,,18462,bmse000923,1
14,covalent,SING,N20,H33,,,,,18462,bmse000923,1
15,covalent,SING,C3,C12,,,,,18462,bmse000923,1
16,covalent,SING,C3,C6,,,,,18462,bmse000923,1
17,covalent,SING,C3,H27,,,,,18462,bmse000923,1
18,covalent,SING,C3,H28,,,,,18462,bmse000923,1
19,covalent,SING,C12,C15,,,,,18462,bmse000923,1
20,covalent,SING,C12,H31,,,,,18462,bmse000923,1
21,covalent,DOUB,C6,C1,,,,,18462,bmse000923,1
22,covalent,SING,C6,C2,,,,,18462,bmse000923,1
23,covalent,SING,C1,C10,,,,,18462,bmse000923,1
24,covalent,SING,C1,H25,,,,,18462,bmse000923,1
25,covalent,DOUB,C2,C11,,,,,18462,bmse000923,1
26,covalent,SING,C2,H26,,,,,18462,bmse000923,1
27,covalent,SING,C14,C11,,,,,18462,bmse000923,1
28,covalent,DOUB,C14,C10,,,,,18462,bmse000923,1
29,covalent,DOUB,C7,C4,,,,,18462,bmse000923,1
30,covalent,SING,C7,C5,,,,,18462,bmse000923,1
31,covalent,SING,C4,C8,,,,,18462,bmse000923,1
32,covalent,SING,C4,H29,,,,,18462,bmse000923,1
33,covalent,DOUB,C5,C9,,,,,18462,bmse000923,1
34,covalent,SING,C5,H30,,,,,18462,bmse000923,1
35,covalent,SING,C9,C13,,,,,18462,bmse000923,1
36,covalent,DOUB,C8,C13,,,,,18462,bmse000923,1
1,covalent,SING,Cl22,C17,,,,,18482,bmse000924,1
2,covalent,SING,Cl20,C14,,,,,18482,bmse000924,1
3,covalent,SING,Cl21,C16,,,,,18482,bmse000924,1
4,covalent,SING,Cl19,C13,,,,,18482,bmse000924,1
5,covalent,SING,O25,C18,,,,,18482,bmse000924,1
6,covalent,SING,O25,C10,,,,,18482,bmse000924,1
7,covalent,SING,N24,C9,,,,,18482,bmse000924,1
8,covalent,SING,N24,C6,,,,,18482,bmse000924,1
9,covalent,SING,N24,C11,,,,,18482,bmse000924,1
10,covalent,DOUB,N23,C11,,,,,18482,bmse000924,1
11,covalent,SING,N23,C5,,,,,18482,bmse000924,1
12,covalent,SING,C18,C9,,,,,18482,bmse000924,1
13,covalent,SING,C18,C15,,,,,18482,bmse000924,1
14,covalent,SING,C18,H39,,,,,18482,bmse000924,1
15,covalent,SING,C9,H34,,,,,18482,bmse000924,1
16,covalent,SING,C9,H35,,,,,18482,bmse000924,1
17,covalent,DOUB,C15,C17,,,,,18482,bmse000924,1
18,covalent,SING,C15,C4,,,,,18482,bmse000924,1
19,covalent,SING,C10,C12,,,,,18482,bmse000924,1
20,covalent,SING,C10,H36,,,,,18482,bmse000924,1
21,covalent,SING,C10,H37,,,,,18482,bmse000924,1
22,covalent,SING,C17,C8,,,,,18482,bmse000924,1
23,covalent,DOUB,C4,C3,,,,,18482,bmse000924,1
24,covalent,SING,C4,H29,,,,,18482,bmse000924,1
25,covalent,DOUB,C12,C16,,,,,18482,bmse000924,1
26,covalent,SING,C12,C1,,,,,18482,bmse000924,1
27,covalent,DOUB,C6,C5,,,,,18482,bmse000924,1
28,covalent,SING,C6,H31,,,,,18482,bmse000924,1
29,covalent,SING,C11,H38,,,,,18482,bmse000924,1
30,covalent,DOUB,C8,C14,,,,,18482,bmse000924,1
31,covalent,SING,C8,H33,,,,,18482,bmse000924,1
32,covalent,SING,C3,C14,,,,,18482,bmse000924,1
33,covalent,SING,C3,H28,,,,,18482,bmse000924,1
34,covalent,SING,C5,H30,,,,,18482,bmse000924,1
35,covalent,SING,C16,C7,,,,,18482,bmse000924,1
36,covalent,DOUB,C1,C2,,,,,18482,bmse000924,1
37,covalent,SING,C1,H26,,,,,18482,bmse000924,1
38,covalent,DOUB,C7,C13,,,,,18482,bmse000924,1
39,covalent,SING,C7,H32,,,,,18482,bmse000924,1
40,covalent,SING,C2,C13,,,,,18482,bmse000924,1
41,covalent,SING,C2,H27,,,,,18482,bmse000924,1
1,covalent,DOUB,O8,N7,,,,,18502,bmse000925,1
2,covalent,SING,N7,C6,,,,,18502,bmse000925,1
3,covalent,DOUB,C6,C4,,,,,18502,bmse000925,1
4,covalent,SING,C6,C5,,,,,18502,bmse000925,1
5,covalent,SING,C4,C2,,,,,18502,bmse000925,1
6,covalent,SING,C4,H12,,,,,18502,bmse000925,1
7,covalent,DOUB,C5,C3,,,,,18502,bmse000925,1
8,covalent,SING,C5,H13,,,,,18502,bmse000925,1
9,covalent,DOUB,C2,C1,,,,,18502,bmse000925,1
10,covalent,SING,C2,H10,,,,,18502,bmse000925,1
11,covalent,SING,C3,C1,,,,,18502,bmse000925,1
12,covalent,SING,C3,H11,,,,,18502,bmse000925,1
13,covalent,SING,C1,H9,,,,,18502,bmse000925,1
1,covalent,SING,O17,C16,,,,,18521,bmse000926,1
2,covalent,SING,O17,H48,,,,,18521,bmse000926,1
3,covalent,DOUB,O18,C16,,,,,18521,bmse000926,1
4,covalent,SING,C11,C12,,,,,18521,bmse000926,1
5,covalent,SING,C11,C10,,,,,18521,bmse000926,1
6,covalent,SING,C11,H38,,,,,18521,bmse000926,1
7,covalent,SING,C11,H39,,,,,18521,bmse000926,1
8,covalent,SING,C12,C13,,,,,18521,bmse000926,1
9,covalent,SING,C12,H40,,,,,18521,bmse000926,1
10,covalent,SING,C12,H41,,,,,18521,bmse000926,1
11,covalent,SING,C10,C9,,,,,18521,bmse000926,1
12,covalent,SING,C10,H36,,,,,18521,bmse000926,1
13,covalent,SING,C10,H37,,,,,18521,bmse000926,1
14,covalent,SING,C13,C14,,,,,18521,bmse000926,1
15,covalent,SING,C13,H42,,,,,18521,bmse000926,1
16,covalent,SING,C13,H43,,,,,18521,bmse000926,1
17,covalent,SING,C9,C8,,,,,18521,bmse000926,1
18,covalent,SING,C9,H34,,,,,18521,bmse000926,1
19,covalent,SING,C9,H35,,,,,18521,bmse000926,1
20,covalent,SING,C14,C15,,,,,18521,bmse000926,1
21,covalent,SING,C14,H44,,,,,18521,bmse000926,1
22,covalent,SING,C14,H45,,,,,18521,bmse000926,1
23,covalent,SING,C4,C5,,,,,18521,bmse000926,1
24,covalent,SING,C4,C3,,,,,18521,bmse000926,1
25,covalent,SING,C4,H26,,,,,18521,bmse000926,1
26,covalent,SING,C4,H27,,,,,18521,bmse000926,1
27,covalent,SING,C5,C6,,,,,18521,bmse000926,1
28,covalent,SING,C5,H28,,,,,18521,bmse000926,1
29,covalent,SING,C5,H29,,,,,18521,bmse000926,1
30,covalent,SING,C3,C2,,,,,18521,bmse000926,1
31,covalent,SING,C3,H24,,,,,18521,bmse000926,1
32,covalent,SING,C3,H25,,,,,18521,bmse000926,1
33,covalent,SING,C6,C7,,,,,18521,bmse000926,1
34,covalent,SING,C6,H30,,,,,18521,bmse000926,1
35,covalent,SING,C6,H31,,,,,18521,bmse000926,1
36,covalent,DOUB,C8,C7,,,,,18521,bmse000926,1
37,covalent,SING,C8,H33,,,,,18521,bmse000926,1
38,covalent,SING,C2,C1,,,,,18521,bmse000926,1
39,covalent,SING,C2,H22,,,,,18521,bmse000926,1
40,covalent,SING,C2,H23,,,,,18521,bmse000926,1
41,covalent,SING,C15,C16,,,,,18521,bmse000926,1
42,covalent,SING,C15,H46,,,,,18521,bmse000926,1
43,covalent,SING,C15,H47,,,,,18521,bmse000926,1
44,covalent,SING,C7,H32,,,,,18521,bmse000926,1
45,covalent,SING,C1,H20,,,,,18521,bmse000926,1
46,covalent,SING,C1,H21,,,,,18521,bmse000926,1
47,covalent,SING,C1,H19,,,,,18521,bmse000926,1
1,covalent,SING,S35,O32,,,,,18540,bmse000927,1
2,covalent,DOUB,S35,O33,,,,,18540,bmse000927,1
3,covalent,DOUB,S35,O34,,,,,18540,bmse000927,1
4,covalent,SING,S35,C11,,,,,18540,bmse000927,1
5,covalent,SING,C22,O30,,,,,18540,bmse000927,1
6,covalent,SING,O30,H79,,,,,18540,bmse000927,1
7,covalent,SING,C21,O29,,,,,18540,bmse000927,1
8,covalent,SING,O29,H78,,,,,18540,bmse000927,1
9,covalent,SING,C17,O28,,,,,18540,bmse000927,1
10,covalent,SING,O28,H77,,,,,18540,bmse000927,1
11,covalent,DOUB,O31,C23,,,,,18540,bmse000927,1
12,covalent,SING,O32,H80,,,,,18540,bmse000927,1
13,covalent,SING,N27,C23,,,,,18540,bmse000927,1
14,covalent,SING,N27,C10,,,,,18540,bmse000927,1
15,covalent,SING,N27,H76,,,,,18540,bmse000927,1
16,covalent,SING,C26,C19,,,,,18540,bmse000927,1
17,covalent,SING,C26,C18,,,,,18540,bmse000927,1
18,covalent,SING,C26,C22,,,,,18540,bmse000927,1
19,covalent,SING,C26,C3,,,,,18540,bmse000927,1
20,covalent,SING,C19,C24,,,,,18540,bmse000927,1
21,covalent,SING,C19,C6,,,,,18540,bmse000927,1
22,covalent,SING,C19,H71,,,,,18540,bmse000927,1
23,covalent,SING,C24,C20,,,,,18540,bmse000927,1
24,covalent,SING,C24,C21,,,,,18540,bmse000927,1
25,covalent,SING,C24,H75,,,,,18540,bmse000927,1
26,covalent,SING,C20,C25,,,,,18540,bmse000927,1
27,covalent,SING,C20,C14,,,,,18540,bmse000927,1
28,covalent,SING,C20,H72,,,,,18540,bmse000927,1
29,covalent,SING,C25,C16,,,,,18540,bmse000927,1
30,covalent,SING,C25,C9,,,,,18540,bmse000927,1
31,covalent,SING,C25,C2,,,,,18540,bmse000927,1
32,covalent,SING,C18,C5,,,,,18540,bmse000927,1
33,covalent,SING,C18,C15,,,,,18540,bmse000927,1
34,covalent,SING,C18,H70,,,,,18540,bmse000927,1
35,covalent,SING,C22,C14,,,,,18540,bmse000927,1
36,covalent,SING,C22,H74,,,,,18540,bmse000927,1
37,covalent,SING,C14,H65,,,,,18540,bmse000927,1
38,covalent,SING,C14,H66,,,,,18540,bmse000927,1
39,covalent,SING,C16,C13,,,,,18540,bmse000927,1
40,covalent,SING,C16,C12,,,,,18540,bmse000927,1
41,covalent,SING,C16,H68,,,,,18540,bmse000927,1
42,covalent,SING,C6,C5,,,,,18540,bmse000927,1
43,covalent,SING,C6,H49,,,,,18540,bmse000927,1
44,covalent,SING,C6,H50,,,,,18540,bmse000927,1
45,covalent,SING,C21,C13,,,,,18540,bmse000927,1
46,covalent,SING,C21,H73,,,,,18540,bmse000927,1
47,covalent,SING,C5,H47,,,,,18540,bmse000927,1
48,covalent,SING,C5,H48,,,,,18540,bmse000927,1
49,covalent,SING,C13,H63,,,,,18540,bmse000927,1
50,covalent,SING,C13,H64,,,,,18540,bmse000927,1
51,covalent,SING,C9,C8,,,,,18540,bmse000927,1
52,covalent,SING,C9,H55,,,,,18540,bmse000927,1
53,covalent,SING,C9,H56,,,,,18540,bmse000927,1
54,covalent,SING,C3,H44,,,,,18540,bmse000927,1
55,covalent,SING,C3,H42,,,,,18540,bmse000927,1
56,covalent,SING,C3,H43,,,,,18540,bmse000927,1
57,covalent,SING,C15,C4,,,,,18540,bmse000927,1
58,covalent,SING,C15,C1,,,,,18540,bmse000927,1
59,covalent,SING,C15,H67,,,,,18540,bmse000927,1
60,covalent,SING,C12,C17,,,,,18540,bmse000927,1
61,covalent,SING,C12,H61,,,,,18540,bmse000927,1
62,covalent,SING,C12,H62,,,,,18540,bmse000927,1
63,covalent,SING,C2,H39,,,,,18540,bmse000927,1
64,covalent,SING,C2,H41,,,,,18540,bmse000927,1
65,covalent,SING,C2,H40,,,,,18540,bmse000927,1
66,covalent,SING,C8,C17,,,,,18540,bmse000927,1
67,covalent,SING,C8,H53,,,,,18540,bmse000927,1
68,covalent,SING,C8,H54,,,,,18540,bmse000927,1
69,covalent,SING,C17,H69,,,,,18540,bmse000927,1
70,covalent,SING,C4,C7,,,,,18540,bmse000927,1
71,covalent,SING,C4,H45,,,,,18540,bmse000927,1
72,covalent,SING,C4,H46,,,,,18540,bmse000927,1
73,covalent,SING,C1,H36,,,,,18540,bmse000927,1
74,covalent,SING,C1,H37,,,,,18540,bmse000927,1
75,covalent,SING,C1,H38,,,,,18540,bmse000927,1
76,covalent,SING,C7,C23,,,,,18540,bmse000927,1
77,covalent,SING,C7,H51,,,,,18540,bmse000927,1
78,covalent,SING,C7,H52,,,,,18540,bmse000927,1
79,covalent,SING,C10,C11,,,,,18540,bmse000927,1
80,covalent,SING,C10,H57,,,,,18540,bmse000927,1
81,covalent,SING,C10,H58,,,,,18540,bmse000927,1
82,covalent,SING,C11,H59,,,,,18540,bmse000927,1
83,covalent,SING,C11,H60,,,,,18540,bmse000927,1
1,covalent,SING,S11,S12,,,,,18559,bmse000928,1
2,covalent,SING,S11,C5,,,,,18559,bmse000928,1
3,covalent,SING,S12,C6,,,,,18559,bmse000928,1
4,covalent,DOUB,S10,C6,,,,,18559,bmse000928,1
5,covalent,DOUB,S9,C5,,,,,18559,bmse000928,1
6,covalent,SING,N8,C3,,,,,18559,bmse000928,1
7,covalent,SING,N8,C4,,,,,18559,bmse000928,1
8,covalent,SING,N8,C6,,,,,18559,bmse000928,1
9,covalent,SING,N7,C1,,,,,18559,bmse000928,1
10,covalent,SING,N7,C2,,,,,18559,bmse000928,1
11,covalent,SING,N7,C5,,,,,18559,bmse000928,1
12,covalent,SING,C1,H15,,,,,18559,bmse000928,1
13,covalent,SING,C1,H13,,,,,18559,bmse000928,1
14,covalent,SING,C1,H14,,,,,18559,bmse000928,1
15,covalent,SING,C2,H16,,,,,18559,bmse000928,1
16,covalent,SING,C2,H17,,,,,18559,bmse000928,1
17,covalent,SING,C2,H18,,,,,18559,bmse000928,1
18,covalent,SING,C3,H19,,,,,18559,bmse000928,1
19,covalent,SING,C3,H20,,,,,18559,bmse000928,1
20,covalent,SING,C3,H21,,,,,18559,bmse000928,1
21,covalent,SING,C4,H22,,,,,18559,bmse000928,1
22,covalent,SING,C4,H24,,,,,18559,bmse000928,1
23,covalent,SING,C4,H23,,,,,18559,bmse000928,1
1,covalent,SING,O12,C9,,,,,18577,bmse000929,1
2,covalent,SING,O12,C1,,,,,18577,bmse000929,1
3,covalent,SING,O11,C8,,,,,18577,bmse000929,1
4,covalent,SING,O11,H25,,,,,18577,bmse000929,1
5,covalent,SING,N10,C5,,,,,18577,bmse000929,1
6,covalent,SING,N10,H23,,,,,18577,bmse000929,1
7,covalent,SING,N10,H24,,,,,18577,bmse000929,1
8,covalent,SING,C4,C7,,,,,18577,bmse000929,1
9,covalent,SING,C4,C5,,,,,18577,bmse000929,1
10,covalent,SING,C4,H18,,,,,18577,bmse000929,1
11,covalent,SING,C4,H19,,,,,18577,bmse000929,1
12,covalent,DOUB,C7,C6,,,,,18577,bmse000929,1
13,covalent,SING,C7,C2,,,,,18577,bmse000929,1
14,covalent,SING,C5,H20,,,,,18577,bmse000929,1
15,covalent,SING,C5,H21,,,,,18577,bmse000929,1
16,covalent,SING,C6,C9,,,,,18577,bmse000929,1
17,covalent,SING,C6,H22,,,,,18577,bmse000929,1
18,covalent,DOUB,C2,C3,,,,,18577,bmse000929,1
19,covalent,SING,C2,H16,,,,,18577,bmse000929,1
20,covalent,DOUB,C9,C8,,,,,18577,bmse000929,1
21,covalent,SING,C8,C3,,,,,18577,bmse000929,1
22,covalent,SING,C3,H17,,,,,18577,bmse000929,1
23,covalent,SING,C1,H15,,,,,18577,bmse000929,1
24,covalent,SING,C1,H14,,,,,18577,bmse000929,1
25,covalent,SING,C1,H13,,,,,18577,bmse000929,1
1,covalent,SING,O11,C7,,,,,18596,bmse000930,1
2,covalent,SING,O11,H21,,,,,18596,bmse000930,1
3,covalent,SING,O10,C3,,,,,18596,bmse000930,1
4,covalent,SING,O10,H20,,,,,18596,bmse000930,1
5,covalent,SING,O12,C8,,,,,18596,bmse000930,1
6,covalent,SING,O12,H22,,,,,18596,bmse000930,1
7,covalent,DOUB,O13,C8,,,,,18596,bmse000930,1
8,covalent,DOUB,N9,C4,,,,,18596,bmse000930,1
9,covalent,SING,N9,C2,,,,,18596,bmse000930,1
10,covalent,SING,C5,C6,,,,,18596,bmse000930,1
11,covalent,SING,C5,C3,,,,,18596,bmse000930,1
12,covalent,DOUB,C5,C2,,,,,18596,bmse000930,1
13,covalent,DOUB,C6,C7,,,,,18596,bmse000930,1
14,covalent,SING,C6,C8,,,,,18596,bmse000930,1
15,covalent,SING,C7,C4,,,,,18596,bmse000930,1
16,covalent,SING,C4,C1,,,,,18596,bmse000930,1
17,covalent,SING,C3,H18,,,,,18596,bmse000930,1
18,covalent,SING,C3,H19,,,,,18596,bmse000930,1
19,covalent,SING,C2,H17,,,,,18596,bmse000930,1
20,covalent,SING,C1,H15,,,,,18596,bmse000930,1
21,covalent,SING,C1,H14,,,,,18596,bmse000930,1
22,covalent,SING,C1,H16,,,,,18596,bmse000930,1
1,covalent,SING,O17,C8,,,,,18616,bmse000931,1
2,covalent,SING,O17,H37,,,,,18616,bmse000931,1
3,covalent,DOUB,O18,C8,,,,,18616,bmse000931,1
4,covalent,SING,O19,C9,,,,,18616,bmse000931,1
5,covalent,SING,O19,H38,,,,,18616,bmse000931,1
6,covalent,DOUB,O20,C9,,,,,18616,bmse000931,1
7,covalent,SING,O15,C7,,,,,18616,bmse000931,1
8,covalent,SING,O15,H36,,,,,18616,bmse000931,1
9,covalent,DOUB,O16,C7,,,,,18616,bmse000931,1
10,covalent,SING,C6,N14,,,,,18616,bmse000931,1
11,covalent,SING,N14,C10,,,,,18616,bmse000931,1
12,covalent,SING,N14,H35,,,,,18616,bmse000931,1
13,covalent,SING,N13,C3,,,,,18616,bmse000931,1
14,covalent,DOUB,N13,C10,,,,,18616,bmse000931,1
15,covalent,SING,C5,N11,,,,,18616,bmse000931,1
16,covalent,SING,N11,H31,,,,,18616,bmse000931,1
17,covalent,SING,N11,H32,,,,,18616,bmse000931,1
18,covalent,SING,N12,C10,,,,,18616,bmse000931,1
19,covalent,SING,N12,H33,,,,,18616,bmse000931,1
20,covalent,SING,N12,H34,,,,,18616,bmse000931,1
21,covalent,SING,C2,C1,,,,,18616,bmse000931,1
22,covalent,SING,C2,C5,,,,,18616,bmse000931,1
23,covalent,SING,C2,H23,,,,,18616,bmse000931,1
24,covalent,SING,C2,H24,,,,,18616,bmse000931,1
25,covalent,SING,C1,C3,,,,,18616,bmse000931,1
26,covalent,SING,C1,H21,,,,,18616,bmse000931,1
27,covalent,SING,C1,H22,,,,,18616,bmse000931,1
28,covalent,SING,C5,C8,,,,,18616,bmse000931,1
29,covalent,SING,C5,H29,,,,,18616,bmse000931,1
30,covalent,SING,C3,H25,,,,,18616,bmse000931,1
31,covalent,SING,C3,H26,,,,,18616,bmse000931,1
32,covalent,SING,C6,C4,,,,,18616,bmse000931,1
33,covalent,SING,C6,C9,,,,,18616,bmse000931,1
34,covalent,SING,C6,H30,,,,,18616,bmse000931,1
35,covalent,SING,C4,C7,,,,,18616,bmse000931,1
36,covalent,SING,C4,H27,,,,,18616,bmse000931,1
37,covalent,SING,C4,H28,,,,,18616,bmse000931,1
1,covalent,SING,P10,O7,,,,,18635,bmse000932,1
2,covalent,SING,P10,O8,,,,,18635,bmse000932,1
3,covalent,DOUB,P10,O9,,,,,18635,bmse000932,1
4,covalent,SING,P10,C1,,,,,18635,bmse000932,1
5,covalent,SING,O7,H17,,,,,18635,bmse000932,1
6,covalent,SING,O8,H18,,,,,18635,bmse000932,1
7,covalent,SING,O5,C3,,,,,18635,bmse000932,1
8,covalent,SING,O5,H16,,,,,18635,bmse000932,1
9,covalent,DOUB,O6,C3,,,,,18635,bmse000932,1
10,covalent,SING,N4,C2,,,,,18635,bmse000932,1
11,covalent,SING,N4,H14,,,,,18635,bmse000932,1
12,covalent,SING,N4,H15,,,,,18635,bmse000932,1
13,covalent,SING,C1,C2,,,,,18635,bmse000932,1
14,covalent,SING,C1,H11,,,,,18635,bmse000932,1
15,covalent,SING,C1,H12,,,,,18635,bmse000932,1
16,covalent,SING,C2,C3,,,,,18635,bmse000932,1
17,covalent,SING,C2,H13,,,,,18635,bmse000932,1
1,covalent,SING,O11,C8,,,,,18654,bmse000933,1
2,covalent,SING,O11,H22,,,,,18654,bmse000933,1
3,covalent,SING,O10,C7,,,,,18654,bmse000933,1
4,covalent,SING,O10,H21,,,,,18654,bmse000933,1
5,covalent,SING,N9,C4,,,,,18654,bmse000933,1
6,covalent,SING,N9,H19,,,,,18654,bmse000933,1
7,covalent,SING,N9,H20,,,,,18654,bmse000933,1
8,covalent,SING,C3,C6,,,,,18654,bmse000933,1
9,covalent,SING,C3,C4,,,,,18654,bmse000933,1
10,covalent,SING,C3,H14,,,,,18654,bmse000933,1
11,covalent,SING,C3,H15,,,,,18654,bmse000933,1
12,covalent,DOUB,C6,C5,,,,,18654,bmse000933,1
13,covalent,SING,C6,C1,,,,,18654,bmse000933,1
14,covalent,SING,C4,H16,,,,,18654,bmse000933,1
15,covalent,SING,C4,H17,,,,,18654,bmse000933,1
16,covalent,SING,C5,C8,,,,,18654,bmse000933,1
17,covalent,SING,C5,H18,,,,,18654,bmse000933,1
18,covalent,DOUB,C1,C2,,,,,18654,bmse000933,1
19,covalent,SING,C1,H12,,,,,18654,bmse000933,1
20,covalent,DOUB,C8,C7,,,,,18654,bmse000933,1
21,covalent,SING,C2,C7,,,,,18654,bmse000933,1
22,covalent,SING,C2,H13,,,,,18654,bmse000933,1
1,covalent,SING,P15,O13,,,,,18675,bmse000934,1
2,covalent,SING,P15,O9,,,,,18675,bmse000934,1
3,covalent,SING,P15,O10,,,,,18675,bmse000934,1
4,covalent,DOUB,P15,O11,,,,,18675,bmse000934,1
5,covalent,SING,C2,O13,,,,,18675,bmse000934,1
6,covalent,SING,O9,H22,,,,,18675,bmse000934,1
7,covalent,SING,O10,H23,,,,,18675,bmse000934,1
8,covalent,SING,C2,C3,,,,,18675,bmse000934,1
9,covalent,SING,C2,C1,,,,,18675,bmse000934,1
10,covalent,SING,C2,H18,,,,,18675,bmse000934,1
11,covalent,SING,C3,O4,,,,,18675,bmse000934,1
12,covalent,DOUB,C3,O5,,,,,18675,bmse000934,1
13,covalent,SING,C1,O12,,,,,18675,bmse000934,1
14,covalent,SING,C1,H16,,,,,18675,bmse000934,1
15,covalent,SING,C1,H17,,,,,18675,bmse000934,1
16,covalent,SING,O4,H19,,,,,18675,bmse000934,1
17,covalent,SING,O12,P14,,,,,18675,bmse000934,1
18,covalent,SING,P14,O6,,,,,18675,bmse000934,1
19,covalent,SING,P14,O7,,,,,18675,bmse000934,1
20,covalent,DOUB,P14,O8,,,,,18675,bmse000934,1
21,covalent,SING,O6,H20,,,,,18675,bmse000934,1
22,covalent,SING,O7,H21,,,,,18675,bmse000934,1
1,covalent,DOUB,C2,N12,,,,,18690,bmse000935,1
2,covalent,SING,C2,N13,,,,,18690,bmse000935,1
3,covalent,SING,C2,H30,,,,,18690,bmse000935,1
4,covalent,DOUB,C3,N14,,,,,18690,bmse000935,1
5,covalent,SING,C3,N15,,,,,18690,bmse000935,1
6,covalent,SING,C3,H31,,,,,18690,bmse000935,1
7,covalent,SING,C4,C1,,,,,18690,bmse000935,1
8,covalent,SING,C1,O23,,,,,18690,bmse000935,1
9,covalent,SING,C1,H28,,,,,18690,bmse000935,1
10,covalent,SING,C1,H29,,,,,18690,bmse000935,1
11,covalent,DOUB,C5,C8,,,,,18690,bmse000935,1
12,covalent,SING,C5,C9,,,,,18690,bmse000935,1
13,covalent,SING,C5,N14,,,,,18690,bmse000935,1
14,covalent,SING,C8,N11,,,,,18690,bmse000935,1
15,covalent,SING,C8,N12,,,,,18690,bmse000935,1
16,covalent,DOUB,C9,N13,,,,,18690,bmse000935,1
17,covalent,SING,C9,N15,,,,,18690,bmse000935,1
18,covalent,SING,C4,C6,,,,,18690,bmse000935,1
19,covalent,SING,C4,O24,,,,,18690,bmse000935,1
20,covalent,SING,C4,H32,,,,,18690,bmse000935,1
21,covalent,SING,C6,C7,,,,,18690,bmse000935,1
22,covalent,SING,C6,O16,,,,,18690,bmse000935,1
23,covalent,SING,C6,H33,,,,,18690,bmse000935,1
24,covalent,SING,C7,C10,,,,,18690,bmse000935,1
25,covalent,SING,C7,O17,,,,,18690,bmse000935,1
26,covalent,SING,C7,H34,,,,,18690,bmse000935,1
27,covalent,SING,C10,N15,,,,,18690,bmse000935,1
28,covalent,SING,C10,O24,,,,,18690,bmse000935,1
29,covalent,SING,C10,H35,,,,,18690,bmse000935,1
30,covalent,SING,N11,H36,,,,,18690,bmse000935,1
31,covalent,SING,N11,H37,,,,,18690,bmse000935,1
32,covalent,SING,O16,H38,,,,,18690,bmse000935,1
33,covalent,SING,O17,H39,,,,,18690,bmse000935,1
34,covalent,SING,O18,P26,,,,,18690,bmse000935,1
35,covalent,SING,O18,H40,,,,,18690,bmse000935,1
36,covalent,SING,O19,P26,,,,,18690,bmse000935,1
37,covalent,SING,O19,H41,,,,,18690,bmse000935,1
38,covalent,SING,O21,P27,,,,,18690,bmse000935,1
39,covalent,SING,O21,H42,,,,,18690,bmse000935,1
40,covalent,DOUB,O20,P26,,,,,18690,bmse000935,1
41,covalent,DOUB,O22,P27,,,,,18690,bmse000935,1
42,covalent,SING,O23,P27,,,,,18690,bmse000935,1
43,covalent,SING,O25,P26,,,,,18690,bmse000935,1
44,covalent,SING,O25,P27,,,,,18690,bmse000935,1
1,covalent,SING,N6,C3,,,,,18704,bmse000936,1
2,covalent,SING,N6,H18,,,,,18704,bmse000936,1
3,covalent,SING,N6,H19,,,,,18704,bmse000936,1
4,covalent,SING,C3,C1,,,,,18704,bmse000936,1
5,covalent,SING,C3,H14,,,,,18704,bmse000936,1
6,covalent,SING,C3,H15,,,,,18704,bmse000936,1
7,covalent,SING,C1,C2,,,,,18704,bmse000936,1
8,covalent,SING,C1,H10,,,,,18704,bmse000936,1
9,covalent,SING,C1,H11,,,,,18704,bmse000936,1
10,covalent,SING,C2,C4,,,,,18704,bmse000936,1
11,covalent,SING,C2,H12,,,,,18704,bmse000936,1
12,covalent,SING,C2,H13,,,,,18704,bmse000936,1
13,covalent,SING,C4,N9,,,,,18704,bmse000936,1
14,covalent,SING,C4,H16,,,,,18704,bmse000936,1
15,covalent,SING,C4,H17,,,,,18704,bmse000936,1
16,covalent,DOUB,N9,C5,,,,,18704,bmse000936,1
17,covalent,SING,C5,N7,,,,,18704,bmse000936,1
18,covalent,SING,C5,N8,,,,,18704,bmse000936,1
19,covalent,SING,N7,H20,,,,,18704,bmse000936,1
20,covalent,SING,N7,H21,,,,,18704,bmse000936,1
21,covalent,SING,N8,H22,,,,,18704,bmse000936,1
22,covalent,SING,N8,H23,,,,,18704,bmse000936,1
1,covalent,SING,C5,C3,,,,,18719,bmse000937,1
2,covalent,DOUB,C5,O9,,,,,18719,bmse000937,1
3,covalent,SING,C5,O10,,,,,18719,bmse000937,1
4,covalent,DOUB,C3,O6,,,,,18719,bmse000937,1
5,covalent,SING,C3,C1,,,,,18719,bmse000937,1
6,covalent,DOUB,C4,O7,,,,,18719,bmse000937,1
7,covalent,SING,C4,C2,,,,,18719,bmse000937,1
8,covalent,SING,C4,O8,,,,,18719,bmse000937,1
9,covalent,SING,C1,C2,,,,,18719,bmse000937,1
10,covalent,SING,C1,H11,,,,,18719,bmse000937,1
11,covalent,SING,C1,H12,,,,,18719,bmse000937,1
12,covalent,SING,C2,H13,,,,,18719,bmse000937,1
13,covalent,SING,C2,H14,,,,,18719,bmse000937,1
14,covalent,SING,O10,H16,,,,,18719,bmse000937,1
15,covalent,SING,O8,H15,,,,,18719,bmse000937,1
1,covalent,SING,C12,C9,,,,,18734,bmse000938,1
2,covalent,SING,C12,O23,,,,,18734,bmse000938,1
3,covalent,SING,C12,O22,,,,,18734,bmse000938,1
4,covalent,SING,C12,H37,,,,,18734,bmse000938,1
5,covalent,SING,C9,C6,,,,,18734,bmse000938,1
6,covalent,SING,C9,O19,,,,,18734,bmse000938,1
7,covalent,SING,C9,H34,,,,,18734,bmse000938,1
8,covalent,SING,C6,C5,,,,,18734,bmse000938,1
9,covalent,SING,C6,O16,,,,,18734,bmse000938,1
10,covalent,SING,C6,H31,,,,,18734,bmse000938,1
11,covalent,SING,C5,C3,,,,,18734,bmse000938,1
12,covalent,SING,C5,O15,,,,,18734,bmse000938,1
13,covalent,SING,C5,H30,,,,,18734,bmse000938,1
14,covalent,SING,C3,C1,,,,,18734,bmse000938,1
15,covalent,SING,C3,O22,,,,,18734,bmse000938,1
16,covalent,SING,C3,H28,,,,,18734,bmse000938,1
17,covalent,SING,C1,O13,,,,,18734,bmse000938,1
18,covalent,SING,C1,H24,,,,,18734,bmse000938,1
19,covalent,SING,C1,H25,,,,,18734,bmse000938,1
20,covalent,SING,O23,C10,,,,,18734,bmse000938,1
21,covalent,SING,O19,H44,,,,,18734,bmse000938,1
22,covalent,SING,O16,H41,,,,,18734,bmse000938,1
23,covalent,SING,O15,H40,,,,,18734,bmse000938,1
24,covalent,SING,O13,H38,,,,,18734,bmse000938,1
25,covalent,SING,C11,C8,,,,,18734,bmse000938,1
26,covalent,SING,C11,O20,,,,,18734,bmse000938,1
27,covalent,SING,C11,O21,,,,,18734,bmse000938,1
28,covalent,SING,C11,H36,,,,,18734,bmse000938,1
29,covalent,SING,C8,C7,,,,,18734,bmse000938,1
30,covalent,SING,C8,O18,,,,,18734,bmse000938,1
31,covalent,SING,C8,H33,,,,,18734,bmse000938,1
32,covalent,SING,C7,C10,,,,,18734,bmse000938,1
33,covalent,SING,C7,O17,,,,,18734,bmse000938,1
34,covalent,SING,C7,H32,,,,,18734,bmse000938,1
35,covalent,SING,C10,C4,,,,,18734,bmse000938,1
36,covalent,SING,C10,H35,,,,,18734,bmse000938,1
37,covalent,SING,C4,C2,,,,,18734,bmse000938,1
38,covalent,SING,C4,O21,,,,,18734,bmse000938,1
39,covalent,SING,C4,H29,,,,,18734,bmse000938,1
40,covalent,SING,C2,O14,,,,,18734,bmse000938,1
41,covalent,SING,C2,H26,,,,,18734,bmse000938,1
42,covalent,SING,C2,H27,,,,,18734,bmse000938,1
43,covalent,SING,O20,H45,,,,,18734,bmse000938,1
44,covalent,SING,O18,H43,,,,,18734,bmse000938,1
45,covalent,SING,O17,H42,,,,,18734,bmse000938,1
46,covalent,SING,O14,H39,,,,,18734,bmse000938,1
1,covalent,SING,C10,C4,,,,,18749,bmse000939,1
2,covalent,SING,C10,O23,,,,,18749,bmse000939,1
3,covalent,SING,C10,C7,,,,,18749,bmse000939,1
4,covalent,SING,C10,H35,,,,,18749,bmse000939,1
5,covalent,SING,C4,O21,,,,,18749,bmse000939,1
6,covalent,SING,C4,C2,,,,,18749,bmse000939,1
7,covalent,SING,C4,H29,,,,,18749,bmse000939,1
8,covalent,SING,O23,C12,,,,,18749,bmse000939,1
9,covalent,SING,C7,C8,,,,,18749,bmse000939,1
10,covalent,SING,C7,O17,,,,,18749,bmse000939,1
11,covalent,SING,C7,H32,,,,,18749,bmse000939,1
12,covalent,SING,O21,C11,,,,,18749,bmse000939,1
13,covalent,SING,C2,O14,,,,,18749,bmse000939,1
14,covalent,SING,C2,H26,,,,,18749,bmse000939,1
15,covalent,SING,C2,H27,,,,,18749,bmse000939,1
16,covalent,SING,C12,O22,,,,,18749,bmse000939,1
17,covalent,SING,C12,C9,,,,,18749,bmse000939,1
18,covalent,SING,C12,H37,,,,,18749,bmse000939,1
19,covalent,SING,C8,C11,,,,,18749,bmse000939,1
20,covalent,SING,C8,O18,,,,,18749,bmse000939,1
21,covalent,SING,C8,H33,,,,,18749,bmse000939,1
22,covalent,SING,O17,H42,,,,,18749,bmse000939,1
23,covalent,SING,C11,O20,,,,,18749,bmse000939,1
24,covalent,SING,C11,H36,,,,,18749,bmse000939,1
25,covalent,SING,O14,H39,,,,,18749,bmse000939,1
26,covalent,SING,O22,C3,,,,,18749,bmse000939,1
27,covalent,SING,C9,C6,,,,,18749,bmse000939,1
28,covalent,SING,C9,O19,,,,,18749,bmse000939,1
29,covalent,SING,C9,H34,,,,,18749,bmse000939,1
30,covalent,SING,O18,H43,,,,,18749,bmse000939,1
31,covalent,SING,O20,H45,,,,,18749,bmse000939,1
32,covalent,SING,C3,C5,,,,,18749,bmse000939,1
33,covalent,SING,C3,C1,,,,,18749,bmse000939,1
34,covalent,SING,C3,H28,,,,,18749,bmse000939,1
35,covalent,SING,C6,C5,,,,,18749,bmse000939,1
36,covalent,SING,C6,O16,,,,,18749,bmse000939,1
37,covalent,SING,C6,H31,,,,,18749,bmse000939,1
38,covalent,SING,O19,H44,,,,,18749,bmse000939,1
39,covalent,SING,C5,O15,,,,,18749,bmse000939,1
40,covalent,SING,C5,H30,,,,,18749,bmse000939,1
41,covalent,SING,C1,O13,,,,,18749,bmse000939,1
42,covalent,SING,C1,H24,,,,,18749,bmse000939,1
43,covalent,SING,C1,H25,,,,,18749,bmse000939,1
44,covalent,SING,O16,H41,,,,,18749,bmse000939,1
45,covalent,SING,O15,H40,,,,,18749,bmse000939,1
46,covalent,SING,O13,H38,,,,,18749,bmse000939,1
1,covalent,DOUB,O8,C4,,,,,18764,bmse000940,1
2,covalent,DOUB,O7,C3,,,,,18764,bmse000940,1
3,covalent,SING,N6,C4,,,,,18764,bmse000940,1
4,covalent,SING,N6,C3,,,,,18764,bmse000940,1
5,covalent,SING,N6,H12,,,,,18764,bmse000940,1
6,covalent,SING,N5,C4,,,,,18764,bmse000940,1
7,covalent,SING,N5,C2,,,,,18764,bmse000940,1
8,covalent,SING,N5,H11,,,,,18764,bmse000940,1
9,covalent,SING,C3,C1,,,,,18764,bmse000940,1
10,covalent,DOUB,C2,C1,,,,,18764,bmse000940,1
11,covalent,SING,C2,H10,,,,,18764,bmse000940,1
12,covalent,SING,C1,H9,,,,,18764,bmse000940,1
1,covalent,SING,O2,B1,,,,,18779,bmse000941,1
2,covalent,SING,O2,H5,,,,,18779,bmse000941,1
3,covalent,SING,O3,B1,,,,,18779,bmse000941,1
4,covalent,SING,O3,H6,,,,,18779,bmse000941,1
5,covalent,SING,O4,B1,,,,,18779,bmse000941,1
6,covalent,SING,O4,H7,,,,,18779,bmse000941,1
1,covalent,SING,O18,C7,,,,,18792,bmse000942,1
2,covalent,SING,O18,C6,,,,,18792,bmse000942,1
3,covalent,SING,C5,O16,,,,,18792,bmse000942,1
4,covalent,SING,O16,H30,,,,,18792,bmse000942,1
5,covalent,SING,O15,C2,,,,,18792,bmse000942,1
6,covalent,SING,O15,H29,,,,,18792,bmse000942,1
7,covalent,DOUB,O17,C10,,,,,18792,bmse000942,1
8,covalent,SING,C7,N14,,,,,18792,bmse000942,1
9,covalent,SING,N14,C9,,,,,18792,bmse000942,1
10,covalent,SING,N14,C4,,,,,18792,bmse000942,1
11,covalent,SING,N11,C9,,,,,18792,bmse000942,1
12,covalent,SING,N11,C3,,,,,18792,bmse000942,1
13,covalent,SING,N11,H28,,,,,18792,bmse000942,1
14,covalent,DOUB,N13,C4,,,,,18792,bmse000942,1
15,covalent,SING,N13,C8,,,,,18792,bmse000942,1
16,covalent,SING,N12,C10,,,,,18792,bmse000942,1
17,covalent,DOUB,N12,C3,,,,,18792,bmse000942,1
18,covalent,SING,C7,C1,,,,,18792,bmse000942,1
19,covalent,SING,C7,H27,,,,,18792,bmse000942,1
20,covalent,SING,C5,C1,,,,,18792,bmse000942,1
21,covalent,SING,C5,C6,,,,,18792,bmse000942,1
22,covalent,SING,C5,H25,,,,,18792,bmse000942,1
23,covalent,SING,C1,H19,,,,,18792,bmse000942,1
24,covalent,SING,C1,H20,,,,,18792,bmse000942,1
25,covalent,SING,C6,C2,,,,,18792,bmse000942,1
26,covalent,SING,C6,H26,,,,,18792,bmse000942,1
27,covalent,SING,C2,H21,,,,,18792,bmse000942,1
28,covalent,SING,C2,H22,,,,,18792,bmse000942,1
29,covalent,DOUB,C9,C8,,,,,18792,bmse000942,1
30,covalent,SING,C4,H24,,,,,18792,bmse000942,1
31,covalent,SING,C8,C10,,,,,18792,bmse000942,1
32,covalent,SING,C3,H23,,,,,18792,bmse000942,1
1,covalent,SING,O17,C8,,,,,18812,bmse000943,1
2,covalent,SING,O17,C1,,,,,18812,bmse000943,1
3,covalent,SING,O15,C12,,,,,18812,bmse000943,1
4,covalent,SING,O15,H31,,,,,18812,bmse000943,1
5,covalent,DOUB,O16,C12,,,,,18812,bmse000943,1
6,covalent,SING,N14,C11,,,,,18812,bmse000943,1
7,covalent,SING,N14,C6,,,,,18812,bmse000943,1
8,covalent,SING,N14,H30,,,,,18812,bmse000943,1
9,covalent,SING,N13,C10,,,,,18812,bmse000943,1
10,covalent,SING,N13,H28,,,,,18812,bmse000943,1
11,covalent,SING,N13,H29,,,,,18812,bmse000943,1
12,covalent,SING,C7,C4,,,,,18812,bmse000943,1
13,covalent,SING,C7,C9,,,,,18812,bmse000943,1
14,covalent,DOUB,C7,C6,,,,,18812,bmse000943,1
15,covalent,SING,C4,C10,,,,,18812,bmse000943,1
16,covalent,SING,C4,H23,,,,,18812,bmse000943,1
17,covalent,SING,C4,H24,,,,,18812,bmse000943,1
18,covalent,DOUB,C9,C11,,,,,18812,bmse000943,1
19,covalent,SING,C9,C5,,,,,18812,bmse000943,1
20,covalent,SING,C11,C3,,,,,18812,bmse000943,1
21,covalent,SING,C10,C12,,,,,18812,bmse000943,1
22,covalent,SING,C10,H27,,,,,18812,bmse000943,1
23,covalent,SING,C6,H26,,,,,18812,bmse000943,1
24,covalent,DOUB,C5,C8,,,,,18812,bmse000943,1
25,covalent,SING,C5,H25,,,,,18812,bmse000943,1
26,covalent,DOUB,C3,C2,,,,,18812,bmse000943,1
27,covalent,SING,C3,H22,,,,,18812,bmse000943,1
28,covalent,SING,C8,C2,,,,,18812,bmse000943,1
29,covalent,SING,C2,H21,,,,,18812,bmse000943,1
30,covalent,SING,C1,H20,,,,,18812,bmse000943,1
31,covalent,SING,C1,H19,,,,,18812,bmse000943,1
32,covalent,SING,C1,H18,,,,,18812,bmse000943,1
1,covalent,SING,O9,C3,,,,,18831,bmse000944,1
2,covalent,SING,O9,C6,,,,,18831,bmse000944,1
3,covalent,DOUB,O8,C6,,,,,18831,bmse000944,1
4,covalent,DOUB,O7,C5,,,,,18831,bmse000944,1
5,covalent,SING,C4,C6,,,,,18831,bmse000944,1
6,covalent,SING,C4,C5,,,,,18831,bmse000944,1
7,covalent,SING,C4,H18,,,,,18831,bmse000944,1
8,covalent,SING,C4,H19,,,,,18831,bmse000944,1
9,covalent,SING,C3,C1,,,,,18831,bmse000944,1
10,covalent,SING,C3,H16,,,,,18831,bmse000944,1
11,covalent,SING,C3,H17,,,,,18831,bmse000944,1
12,covalent,SING,C5,C2,,,,,18831,bmse000944,1
13,covalent,SING,C1,H10,,,,,18831,bmse000944,1
14,covalent,SING,C1,H12,,,,,18831,bmse000944,1
15,covalent,SING,C1,H11,,,,,18831,bmse000944,1
16,covalent,SING,C2,H15,,,,,18831,bmse000944,1
17,covalent,SING,C2,H13,,,,,18831,bmse000944,1
18,covalent,SING,C2,H14,,,,,18831,bmse000944,1
1,covalent,SING,O17,C15,,,,,18850,bmse000945,1
2,covalent,SING,O17,C14,,,,,18850,bmse000945,1
3,covalent,DOUB,O16,C13,,,,,18850,bmse000945,1
4,covalent,SING,C12,C14,,,,,18850,bmse000945,1
5,covalent,SING,C12,C13,,,,,18850,bmse000945,1
6,covalent,DOUB,C12,C8,,,,,18850,bmse000945,1
7,covalent,SING,C15,C11,,,,,18850,bmse000945,1
8,covalent,DOUB,C15,C10,,,,,18850,bmse000945,1
9,covalent,DOUB,C14,C9,,,,,18850,bmse000945,1
10,covalent,DOUB,C11,C6,,,,,18850,bmse000945,1
11,covalent,SING,C11,C7,,,,,18850,bmse000945,1
12,covalent,SING,C13,C10,,,,,18850,bmse000945,1
13,covalent,SING,C10,H27,,,,,18850,bmse000945,1
14,covalent,SING,C8,C4,,,,,18850,bmse000945,1
15,covalent,SING,C8,H25,,,,,18850,bmse000945,1
16,covalent,SING,C9,C5,,,,,18850,bmse000945,1
17,covalent,SING,C9,H26,,,,,18850,bmse000945,1
18,covalent,SING,C6,C2,,,,,18850,bmse000945,1
19,covalent,SING,C6,H23,,,,,18850,bmse000945,1
20,covalent,DOUB,C7,C3,,,,,18850,bmse000945,1
21,covalent,SING,C7,H24,,,,,18850,bmse000945,1
22,covalent,DOUB,C4,C5,,,,,18850,bmse000945,1
23,covalent,SING,C4,H21,,,,,18850,bmse000945,1
24,covalent,SING,C5,H22,,,,,18850,bmse000945,1
25,covalent,DOUB,C2,C1,,,,,18850,bmse000945,1
26,covalent,SING,C2,H19,,,,,18850,bmse000945,1
27,covalent,SING,C3,C1,,,,,18850,bmse000945,1
28,covalent,SING,C3,H20,,,,,18850,bmse000945,1
29,covalent,SING,C1,H18,,,,,18850,bmse000945,1
1,covalent,SING,C10,C4,,,,,18869,bmse000946,1
2,covalent,SING,C10,O23,,,,,18869,bmse000946,1
3,covalent,SING,C10,C7,,,,,18869,bmse000946,1
4,covalent,SING,C10,H35,,,,,18869,bmse000946,1
5,covalent,SING,C4,O21,,,,,18869,bmse000946,1
6,covalent,SING,C4,C2,,,,,18869,bmse000946,1
7,covalent,SING,C4,H29,,,,,18869,bmse000946,1
8,covalent,SING,O23,C12,,,,,18869,bmse000946,1
9,covalent,SING,C7,C8,,,,,18869,bmse000946,1
10,covalent,SING,C7,O17,,,,,18869,bmse000946,1
11,covalent,SING,C7,H32,,,,,18869,bmse000946,1
12,covalent,SING,O21,C11,,,,,18869,bmse000946,1
13,covalent,SING,C2,O14,,,,,18869,bmse000946,1
14,covalent,SING,C2,H26,,,,,18869,bmse000946,1
15,covalent,SING,C2,H27,,,,,18869,bmse000946,1
16,covalent,SING,C12,O22,,,,,18869,bmse000946,1
17,covalent,SING,C12,C9,,,,,18869,bmse000946,1
18,covalent,SING,C12,H37,,,,,18869,bmse000946,1
19,covalent,SING,C8,C11,,,,,18869,bmse000946,1
20,covalent,SING,C8,O18,,,,,18869,bmse000946,1
21,covalent,SING,C8,H33,,,,,18869,bmse000946,1
22,covalent,SING,O17,H42,,,,,18869,bmse000946,1
23,covalent,SING,C11,O20,,,,,18869,bmse000946,1
24,covalent,SING,C11,H36,,,,,18869,bmse000946,1
25,covalent,SING,O14,H39,,,,,18869,bmse000946,1
26,covalent,SING,O22,C3,,,,,18869,bmse000946,1
27,covalent,SING,C9,C6,,,,,18869,bmse000946,1
28,covalent,SING,C9,O19,,,,,18869,bmse000946,1
29,covalent,SING,C9,H34,,,,,18869,bmse000946,1
30,covalent,SING,O18,H43,,,,,18869,bmse000946,1
31,covalent,SING,O20,H45,,,,,18869,bmse000946,1
32,covalent,SING,C3,C5,,,,,18869,bmse000946,1
33,covalent,SING,C3,C1,,,,,18869,bmse000946,1
34,covalent,SING,C3,H28,,,,,18869,bmse000946,1
35,covalent,SING,C6,C5,,,,,18869,bmse000946,1
36,covalent,SING,C6,O16,,,,,18869,bmse000946,1
37,covalent,SING,C6,H31,,,,,18869,bmse000946,1
38,covalent,SING,O19,H44,,,,,18869,bmse000946,1
39,covalent,SING,C5,O15,,,,,18869,bmse000946,1
40,covalent,SING,C5,H30,,,,,18869,bmse000946,1
41,covalent,SING,C1,O13,,,,,18869,bmse000946,1
42,covalent,SING,C1,H24,,,,,18869,bmse000946,1
43,covalent,SING,C1,H25,,,,,18869,bmse000946,1
44,covalent,SING,O16,H41,,,,,18869,bmse000946,1
45,covalent,SING,O15,H40,,,,,18869,bmse000946,1
46,covalent,SING,O13,H38,,,,,18869,bmse000946,1
1,covalent,SING,N6,C4,,,,,18884,bmse000947,1
2,covalent,SING,N6,C3,,,,,18884,bmse000947,1
3,covalent,SING,N6,H16,,,,,18884,bmse000947,1
4,covalent,SING,C4,C5,,,,,18884,bmse000947,1
5,covalent,SING,C4,C2,,,,,18884,bmse000947,1
6,covalent,SING,C4,H15,,,,,18884,bmse000947,1
7,covalent,DOUB,C5,O7,,,,,18884,bmse000947,1
8,covalent,SING,C5,O8,,,,,18884,bmse000947,1
9,covalent,SING,C2,C1,,,,,18884,bmse000947,1
10,covalent,SING,C2,H11,,,,,18884,bmse000947,1
11,covalent,SING,C2,H12,,,,,18884,bmse000947,1
12,covalent,SING,C1,C3,,,,,18884,bmse000947,1
13,covalent,SING,C1,H9,,,,,18884,bmse000947,1
14,covalent,SING,C1,H10,,,,,18884,bmse000947,1
15,covalent,SING,C3,H13,,,,,18884,bmse000947,1
16,covalent,SING,C3,H14,,,,,18884,bmse000947,1
17,covalent,SING,O8,H17,,,,,18884,bmse000947,1
1,covalent,SING,C1,N6,,,,,18899,bmse000948,1
2,covalent,SING,C1,H9,,,,,18899,bmse000948,1
3,covalent,SING,C1,H10,,,,,18899,bmse000948,1
4,covalent,SING,C1,H11,,,,,18899,bmse000948,1
5,covalent,SING,N6,C4,,,,,18899,bmse000948,1
6,covalent,SING,N6,C2,,,,,18899,bmse000948,1
7,covalent,SING,N6,C3,,,,,18899,bmse000948,1
8,covalent,SING,C4,C5,,,,,18899,bmse000948,1
9,covalent,SING,C4,H18,,,,,18899,bmse000948,1
10,covalent,SING,C4,H19,,,,,18899,bmse000948,1
11,covalent,DOUB,C5,O7,,,,,18899,bmse000948,1
12,covalent,SING,C5,O8,,,,,18899,bmse000948,1
13,covalent,SING,C2,H13,,,,,18899,bmse000948,1
14,covalent,SING,C2,H12,,,,,18899,bmse000948,1
15,covalent,SING,C2,H14,,,,,18899,bmse000948,1
16,covalent,SING,C3,H15,,,,,18899,bmse000948,1
17,covalent,SING,C3,H16,,,,,18899,bmse000948,1
18,covalent,SING,C3,H17,,,,,18899,bmse000948,1
1,covalent,SING,C1,N8,,,,,18914,bmse000949,1
2,covalent,SING,C1,H12,,,,,18914,bmse000949,1
3,covalent,SING,C1,H13,,,,,18914,bmse000949,1
4,covalent,SING,C1,H14,,,,,18914,bmse000949,1
5,covalent,SING,N8,C2,,,,,18914,bmse000949,1
6,covalent,SING,N8,C3,,,,,18914,bmse000949,1
7,covalent,SING,N8,C5,,,,,18914,bmse000949,1
8,covalent,SING,C2,H16,,,,,18914,bmse000949,1
9,covalent,SING,C2,H17,,,,,18914,bmse000949,1
10,covalent,SING,C2,H15,,,,,18914,bmse000949,1
11,covalent,SING,C3,H20,,,,,18914,bmse000949,1
12,covalent,SING,C3,H19,,,,,18914,bmse000949,1
13,covalent,SING,C3,H18,,,,,18914,bmse000949,1
14,covalent,SING,C5,C6,,,,,18914,bmse000949,1
15,covalent,SING,C5,H23,,,,,18914,bmse000949,1
16,covalent,SING,C5,H24,,,,,18914,bmse000949,1
17,covalent,SING,C6,O9,,,,,18914,bmse000949,1
18,covalent,SING,C6,C4,,,,,18914,bmse000949,1
19,covalent,SING,C6,H25,,,,,18914,bmse000949,1
20,covalent,SING,O9,H26,,,,,18914,bmse000949,1
21,covalent,SING,C4,C7,,,,,18914,bmse000949,1
22,covalent,SING,C4,H21,,,,,18914,bmse000949,1
23,covalent,SING,C4,H22,,,,,18914,bmse000949,1
24,covalent,SING,C7,O10,,,,,18914,bmse000949,1
25,covalent,DOUB,C7,O11,,,,,18914,bmse000949,1
26,covalent,SING,O10,H27,,,,,18914,bmse000949,1
1,covalent,SING,C4,N7,,,,,18929,bmse000950,1
2,covalent,DOUB,C4,N5,,,,,18929,bmse000950,1
3,covalent,SING,C4,N6,,,,,18929,bmse000950,1
4,covalent,SING,N7,C2,,,,,18929,bmse000950,1
5,covalent,SING,N7,C1,,,,,18929,bmse000950,1
6,covalent,SING,N5,H15,,,,,18929,bmse000950,1
7,covalent,SING,C3,C2,,,,,18929,bmse000950,1
8,covalent,DOUB,C3,O8,,,,,18929,bmse000950,1
9,covalent,SING,C3,O9,,,,,18929,bmse000950,1
10,covalent,SING,C2,H13,,,,,18929,bmse000950,1
11,covalent,SING,C2,H14,,,,,18929,bmse000950,1
12,covalent,SING,N6,H16,,,,,18929,bmse000950,1
13,covalent,SING,N6,H17,,,,,18929,bmse000950,1
14,covalent,SING,O9,H18,,,,,18929,bmse000950,1
15,covalent,SING,C1,H10,,,,,18929,bmse000950,1
16,covalent,SING,C1,H11,,,,,18929,bmse000950,1
17,covalent,SING,C1,H12,,,,,18929,bmse000950,1
1,covalent,SING,N8,C4,,,,,18944,bmse000951,1
2,covalent,SING,N8,H25,,,,,18944,bmse000951,1
3,covalent,SING,N8,H26,,,,,18944,bmse000951,1
4,covalent,SING,C4,C1,,,,,18944,bmse000951,1
5,covalent,SING,C4,H17,,,,,18944,bmse000951,1
6,covalent,SING,C4,H18,,,,,18944,bmse000951,1
7,covalent,SING,C1,C2,,,,,18944,bmse000951,1
8,covalent,SING,C1,H11,,,,,18944,bmse000951,1
9,covalent,SING,C1,H12,,,,,18944,bmse000951,1
10,covalent,SING,C2,C6,,,,,18944,bmse000951,1
11,covalent,SING,C2,H13,,,,,18944,bmse000951,1
12,covalent,SING,C2,H14,,,,,18944,bmse000951,1
13,covalent,SING,C6,N10,,,,,18944,bmse000951,1
14,covalent,SING,C6,H21,,,,,18944,bmse000951,1
15,covalent,SING,C6,H22,,,,,18944,bmse000951,1
16,covalent,SING,N10,C7,,,,,18944,bmse000951,1
17,covalent,SING,N10,H29,,,,,18944,bmse000951,1
18,covalent,SING,C7,C3,,,,,18944,bmse000951,1
19,covalent,SING,C7,H23,,,,,18944,bmse000951,1
20,covalent,SING,C7,H24,,,,,18944,bmse000951,1
21,covalent,SING,C3,C5,,,,,18944,bmse000951,1
22,covalent,SING,C3,H15,,,,,18944,bmse000951,1
23,covalent,SING,C3,H16,,,,,18944,bmse000951,1
24,covalent,SING,C5,N9,,,,,18944,bmse000951,1
25,covalent,SING,C5,H19,,,,,18944,bmse000951,1
26,covalent,SING,C5,H20,,,,,18944,bmse000951,1
27,covalent,SING,N9,H27,,,,,18944,bmse000951,1
28,covalent,SING,N9,H28,,,,,18944,bmse000951,1
1,covalent,SING,C5,N11,,,,,18959,bmse000952,1
2,covalent,SING,N11,H31,,,,,18959,bmse000952,1
3,covalent,SING,N11,H32,,,,,18959,bmse000952,1
4,covalent,SING,C5,C10,,,,,18959,bmse000952,1
5,covalent,SING,C5,C1,,,,,18959,bmse000952,1
6,covalent,SING,C5,H29,,,,,18959,bmse000952,1
7,covalent,DOUB,C10,O18,,,,,18959,bmse000952,1
8,covalent,SING,C10,O19,,,,,18959,bmse000952,1
9,covalent,SING,O19,H36,,,,,18959,bmse000952,1
10,covalent,SING,C1,C2,,,,,18959,bmse000952,1
11,covalent,SING,C1,H21,,,,,18959,bmse000952,1
12,covalent,SING,C1,H22,,,,,18959,bmse000952,1
13,covalent,SING,C2,C7,,,,,18959,bmse000952,1
14,covalent,SING,C2,H23,,,,,18959,bmse000952,1
15,covalent,SING,C2,H24,,,,,18959,bmse000952,1
16,covalent,DOUB,C7,O14,,,,,18959,bmse000952,1
17,covalent,SING,C7,N13,,,,,18959,bmse000952,1
18,covalent,SING,C6,N13,,,,,18959,bmse000952,1
19,covalent,SING,N13,H34,,,,,18959,bmse000952,1
20,covalent,SING,C6,C9,,,,,18959,bmse000952,1
21,covalent,SING,C6,C4,,,,,18959,bmse000952,1
22,covalent,SING,C6,H30,,,,,18959,bmse000952,1
23,covalent,DOUB,C9,O17,,,,,18959,bmse000952,1
24,covalent,SING,C9,N12,,,,,18959,bmse000952,1
25,covalent,SING,C4,S20,,,,,18959,bmse000952,1
26,covalent,SING,C4,H27,,,,,18959,bmse000952,1
27,covalent,SING,C4,H28,,,,,18959,bmse000952,1
28,covalent,SING,S20,H37,,,,,18959,bmse000952,1
29,covalent,SING,N12,C3,,,,,18959,bmse000952,1
30,covalent,SING,N12,H33,,,,,18959,bmse000952,1
31,covalent,SING,C3,C8,,,,,18959,bmse000952,1
32,covalent,SING,C3,H25,,,,,18959,bmse000952,1
33,covalent,SING,C3,H26,,,,,18959,bmse000952,1
34,covalent,DOUB,C8,O15,,,,,18959,bmse000952,1
35,covalent,SING,C8,O16,,,,,18959,bmse000952,1
36,covalent,SING,O16,H35,,,,,18959,bmse000952,1
1,covalent,SING,O7,C5,,,,,18974,bmse000953,1
2,covalent,SING,O7,H21,,,,,18974,bmse000953,1
3,covalent,SING,N6,C4,,,,,18974,bmse000953,1
4,covalent,SING,N6,C1,,,,,18974,bmse000953,1
5,covalent,SING,N6,C2,,,,,18974,bmse000953,1
6,covalent,SING,N6,C3,,,,,18974,bmse000953,1
7,covalent,SING,C5,C4,,,,,18974,bmse000953,1
8,covalent,SING,C5,H19,,,,,18974,bmse000953,1
9,covalent,SING,C5,H20,,,,,18974,bmse000953,1
10,covalent,SING,C4,H17,,,,,18974,bmse000953,1
11,covalent,SING,C4,H18,,,,,18974,bmse000953,1
12,covalent,SING,C1,H8,,,,,18974,bmse000953,1
13,covalent,SING,C1,H9,,,,,18974,bmse000953,1
14,covalent,SING,C1,H10,,,,,18974,bmse000953,1
15,covalent,SING,C2,H12,,,,,18974,bmse000953,1
16,covalent,SING,C2,H11,,,,,18974,bmse000953,1
17,covalent,SING,C2,H13,,,,,18974,bmse000953,1
18,covalent,SING,C3,H14,,,,,18974,bmse000953,1
19,covalent,SING,C3,H15,,,,,18974,bmse000953,1
20,covalent,SING,C3,H16,,,,,18974,bmse000953,1
1,covalent,SING,P15,O13,,,,,18989,bmse000954,1
2,covalent,SING,P15,O9,,,,,18989,bmse000954,1
3,covalent,SING,P15,O10,,,,,18989,bmse000954,1
4,covalent,DOUB,P15,O11,,,,,18989,bmse000954,1
5,covalent,SING,C2,O13,,,,,18989,bmse000954,1
6,covalent,SING,O9,H22,,,,,18989,bmse000954,1
7,covalent,SING,O10,H23,,,,,18989,bmse000954,1
8,covalent,SING,C2,C3,,,,,18989,bmse000954,1
9,covalent,SING,C2,C1,,,,,18989,bmse000954,1
10,covalent,SING,C2,H18,,,,,18989,bmse000954,1
11,covalent,SING,C3,O4,,,,,18989,bmse000954,1
12,covalent,DOUB,C3,O5,,,,,18989,bmse000954,1
13,covalent,SING,C1,O12,,,,,18989,bmse000954,1
14,covalent,SING,C1,H16,,,,,18989,bmse000954,1
15,covalent,SING,C1,H17,,,,,18989,bmse000954,1
16,covalent,SING,O4,H19,,,,,18989,bmse000954,1
17,covalent,SING,O12,P14,,,,,18989,bmse000954,1
18,covalent,SING,P14,O6,,,,,18989,bmse000954,1
19,covalent,SING,P14,O7,,,,,18989,bmse000954,1
20,covalent,DOUB,P14,O8,,,,,18989,bmse000954,1
21,covalent,SING,O6,H20,,,,,18989,bmse000954,1
22,covalent,SING,O7,H21,,,,,18989,bmse000954,1
1,covalent,SING,N8,C4,,,,,19003,bmse000955,1
2,covalent,SING,N8,H25,,,,,19003,bmse000955,1
3,covalent,SING,N8,H26,,,,,19003,bmse000955,1
4,covalent,SING,C4,C1,,,,,19003,bmse000955,1
5,covalent,SING,C4,H17,,,,,19003,bmse000955,1
6,covalent,SING,C4,H18,,,,,19003,bmse000955,1
7,covalent,SING,C1,C2,,,,,19003,bmse000955,1
8,covalent,SING,C1,H11,,,,,19003,bmse000955,1
9,covalent,SING,C1,H12,,,,,19003,bmse000955,1
10,covalent,SING,C2,C6,,,,,19003,bmse000955,1
11,covalent,SING,C2,H13,,,,,19003,bmse000955,1
12,covalent,SING,C2,H14,,,,,19003,bmse000955,1
13,covalent,SING,C6,N10,,,,,19003,bmse000955,1
14,covalent,SING,C6,H21,,,,,19003,bmse000955,1
15,covalent,SING,C6,H22,,,,,19003,bmse000955,1
16,covalent,SING,N10,C7,,,,,19003,bmse000955,1
17,covalent,SING,N10,H29,,,,,19003,bmse000955,1
18,covalent,SING,C7,C3,,,,,19003,bmse000955,1
19,covalent,SING,C7,H23,,,,,19003,bmse000955,1
20,covalent,SING,C7,H24,,,,,19003,bmse000955,1
21,covalent,SING,C3,C5,,,,,19003,bmse000955,1
22,covalent,SING,C3,H15,,,,,19003,bmse000955,1
23,covalent,SING,C3,H16,,,,,19003,bmse000955,1
24,covalent,SING,C5,N9,,,,,19003,bmse000955,1
25,covalent,SING,C5,H19,,,,,19003,bmse000955,1
26,covalent,SING,C5,H20,,,,,19003,bmse000955,1
27,covalent,SING,N9,H27,,,,,19003,bmse000955,1
28,covalent,SING,N9,H28,,,,,19003,bmse000955,1
1,covalent,SING,C5,N11,,,,,19017,bmse000956,1
2,covalent,SING,N11,H31,,,,,19017,bmse000956,1
3,covalent,SING,N11,H32,,,,,19017,bmse000956,1
4,covalent,SING,C5,C10,,,,,19017,bmse000956,1
5,covalent,SING,C5,C1,,,,,19017,bmse000956,1
6,covalent,SING,C5,H29,,,,,19017,bmse000956,1
7,covalent,DOUB,C10,O18,,,,,19017,bmse000956,1
8,covalent,SING,C10,O19,,,,,19017,bmse000956,1
9,covalent,SING,O19,H36,,,,,19017,bmse000956,1
10,covalent,SING,C1,C2,,,,,19017,bmse000956,1
11,covalent,SING,C1,H21,,,,,19017,bmse000956,1
12,covalent,SING,C1,H22,,,,,19017,bmse000956,1
13,covalent,SING,C2,C7,,,,,19017,bmse000956,1
14,covalent,SING,C2,H23,,,,,19017,bmse000956,1
15,covalent,SING,C2,H24,,,,,19017,bmse000956,1
16,covalent,DOUB,C7,O14,,,,,19017,bmse000956,1
17,covalent,SING,C7,N13,,,,,19017,bmse000956,1
18,covalent,SING,C6,N13,,,,,19017,bmse000956,1
19,covalent,SING,N13,H34,,,,,19017,bmse000956,1
20,covalent,SING,C6,C9,,,,,19017,bmse000956,1
21,covalent,SING,C6,C4,,,,,19017,bmse000956,1
22,covalent,SING,C6,H30,,,,,19017,bmse000956,1
23,covalent,DOUB,C9,O17,,,,,19017,bmse000956,1
24,covalent,SING,C9,N12,,,,,19017,bmse000956,1
25,covalent,SING,C4,S20,,,,,19017,bmse000956,1
26,covalent,SING,C4,H27,,,,,19017,bmse000956,1
27,covalent,SING,C4,H28,,,,,19017,bmse000956,1
28,covalent,SING,S20,H37,,,,,19017,bmse000956,1
29,covalent,SING,N12,C3,,,,,19017,bmse000956,1
30,covalent,SING,N12,H33,,,,,19017,bmse000956,1
31,covalent,SING,C3,C8,,,,,19017,bmse000956,1
32,covalent,SING,C3,H25,,,,,19017,bmse000956,1
33,covalent,SING,C3,H26,,,,,19017,bmse000956,1
34,covalent,DOUB,C8,O15,,,,,19017,bmse000956,1
35,covalent,SING,C8,O16,,,,,19017,bmse000956,1
36,covalent,SING,O16,H35,,,,,19017,bmse000956,1
1,covalent,SING,O7,C5,,,,,19031,bmse000957,1
2,covalent,SING,O7,H19,,,,,19031,bmse000957,1
3,covalent,DOUB,O8,C5,,,,,19031,bmse000957,1
4,covalent,SING,N6,C4,,,,,19031,bmse000957,1
5,covalent,SING,N6,H17,,,,,19031,bmse000957,1
6,covalent,SING,N6,H18,,,,,19031,bmse000957,1
7,covalent,SING,C1,C2,,,,,19031,bmse000957,1
8,covalent,SING,C1,C3,,,,,19031,bmse000957,1
9,covalent,SING,C1,H9,,,,,19031,bmse000957,1
10,covalent,SING,C1,H10,,,,,19031,bmse000957,1
11,covalent,SING,C2,C4,,,,,19031,bmse000957,1
12,covalent,SING,C2,H11,,,,,19031,bmse000957,1
13,covalent,SING,C2,H12,,,,,19031,bmse000957,1
14,covalent,SING,C3,C5,,,,,19031,bmse000957,1
15,covalent,SING,C3,H13,,,,,19031,bmse000957,1
16,covalent,SING,C3,H14,,,,,19031,bmse000957,1
17,covalent,SING,C4,H15,,,,,19031,bmse000957,1
18,covalent,SING,C4,H16,,,,,19031,bmse000957,1
1,covalent,SING,O12,C9,,,,,19045,bmse000958,1
2,covalent,SING,O12,C1,,,,,19045,bmse000958,1
3,covalent,SING,O11,C8,,,,,19045,bmse000958,1
4,covalent,SING,O11,H25,,,,,19045,bmse000958,1
5,covalent,SING,N10,C5,,,,,19045,bmse000958,1
6,covalent,SING,N10,H23,,,,,19045,bmse000958,1
7,covalent,SING,N10,H24,,,,,19045,bmse000958,1
8,covalent,SING,C4,C7,,,,,19045,bmse000958,1
9,covalent,SING,C4,C5,,,,,19045,bmse000958,1
10,covalent,SING,C4,H18,,,,,19045,bmse000958,1
11,covalent,SING,C4,H19,,,,,19045,bmse000958,1
12,covalent,DOUB,C7,C6,,,,,19045,bmse000958,1
13,covalent,SING,C7,C2,,,,,19045,bmse000958,1
14,covalent,SING,C5,H20,,,,,19045,bmse000958,1
15,covalent,SING,C5,H21,,,,,19045,bmse000958,1
16,covalent,SING,C6,C9,,,,,19045,bmse000958,1
17,covalent,SING,C6,H22,,,,,19045,bmse000958,1
18,covalent,DOUB,C2,C3,,,,,19045,bmse000958,1
19,covalent,SING,C2,H16,,,,,19045,bmse000958,1
20,covalent,DOUB,C9,C8,,,,,19045,bmse000958,1
21,covalent,SING,C8,C3,,,,,19045,bmse000958,1
22,covalent,SING,C3,H17,,,,,19045,bmse000958,1
23,covalent,SING,C1,H15,,,,,19045,bmse000958,1
24,covalent,SING,C1,H14,,,,,19045,bmse000958,1
25,covalent,SING,C1,H13,,,,,19045,bmse000958,1
1,covalent,SING,O17,C8,,,,,19059,bmse000959,1
2,covalent,SING,O17,H37,,,,,19059,bmse000959,1
3,covalent,DOUB,O18,C8,,,,,19059,bmse000959,1
4,covalent,SING,O19,C9,,,,,19059,bmse000959,1
5,covalent,SING,O19,H38,,,,,19059,bmse000959,1
6,covalent,DOUB,O20,C9,,,,,19059,bmse000959,1
7,covalent,SING,O15,C7,,,,,19059,bmse000959,1
8,covalent,SING,O15,H36,,,,,19059,bmse000959,1
9,covalent,DOUB,O16,C7,,,,,19059,bmse000959,1
10,covalent,SING,C6,N14,,,,,19059,bmse000959,1
11,covalent,SING,N14,C10,,,,,19059,bmse000959,1
12,covalent,SING,N14,H35,,,,,19059,bmse000959,1
13,covalent,SING,N13,C3,,,,,19059,bmse000959,1
14,covalent,DOUB,N13,C10,,,,,19059,bmse000959,1
15,covalent,SING,C5,N11,,,,,19059,bmse000959,1
16,covalent,SING,N11,H31,,,,,19059,bmse000959,1
17,covalent,SING,N11,H32,,,,,19059,bmse000959,1
18,covalent,SING,N12,C10,,,,,19059,bmse000959,1
19,covalent,SING,N12,H33,,,,,19059,bmse000959,1
20,covalent,SING,N12,H34,,,,,19059,bmse000959,1
21,covalent,SING,C2,C1,,,,,19059,bmse000959,1
22,covalent,SING,C2,C5,,,,,19059,bmse000959,1
23,covalent,SING,C2,H23,,,,,19059,bmse000959,1
24,covalent,SING,C2,H24,,,,,19059,bmse000959,1
25,covalent,SING,C1,C3,,,,,19059,bmse000959,1
26,covalent,SING,C1,H21,,,,,19059,bmse000959,1
27,covalent,SING,C1,H22,,,,,19059,bmse000959,1
28,covalent,SING,C5,C8,,,,,19059,bmse000959,1
29,covalent,SING,C5,H29,,,,,19059,bmse000959,1
30,covalent,SING,C3,H25,,,,,19059,bmse000959,1
31,covalent,SING,C3,H26,,,,,19059,bmse000959,1
32,covalent,SING,C6,C4,,,,,19059,bmse000959,1
33,covalent,SING,C6,C9,,,,,19059,bmse000959,1
34,covalent,SING,C6,H30,,,,,19059,bmse000959,1
35,covalent,SING,C4,C7,,,,,19059,bmse000959,1
36,covalent,SING,C4,H27,,,,,19059,bmse000959,1
37,covalent,SING,C4,H28,,,,,19059,bmse000959,1
1,covalent,DOUB,O10,C6,,,,,19073,bmse000960,1
2,covalent,SING,O11,B9,,,,,19073,bmse000960,1
3,covalent,SING,O11,H20,,,,,19073,bmse000960,1
4,covalent,SING,O12,B9,,,,,19073,bmse000960,1
5,covalent,SING,O12,H21,,,,,19073,bmse000960,1
6,covalent,SING,C7,C5,,,,,19073,bmse000960,1
7,covalent,DOUB,C7,C3,,,,,19073,bmse000960,1
8,covalent,SING,C7,C6,,,,,19073,bmse000960,1
9,covalent,DOUB,C8,C5,,,,,19073,bmse000960,1
10,covalent,SING,C8,C4,,,,,19073,bmse000960,1
11,covalent,SING,C8,B9,,,,,19073,bmse000960,1
12,covalent,SING,C5,H19,,,,,19073,bmse000960,1
13,covalent,SING,C3,C2,,,,,19073,bmse000960,1
14,covalent,SING,C3,H17,,,,,19073,bmse000960,1
15,covalent,DOUB,C4,C2,,,,,19073,bmse000960,1
16,covalent,SING,C4,H18,,,,,19073,bmse000960,1
17,covalent,SING,C2,H16,,,,,19073,bmse000960,1
18,covalent,SING,C6,C1,,,,,19073,bmse000960,1
19,covalent,SING,C1,H14,,,,,19073,bmse000960,1
20,covalent,SING,C1,H15,,,,,19073,bmse000960,1
21,covalent,SING,C1,H13,,,,,19073,bmse000960,1
1,covalent,SING,S32,O31,,,,,19092,bmse000961,1
2,covalent,SING,S32,O28,,,,,19092,bmse000961,1
3,covalent,DOUB,S32,O29,,,,,19092,bmse000961,1
4,covalent,DOUB,S32,O30,,,,,19092,bmse000961,1
5,covalent,SING,C21,O31,,,,,19092,bmse000961,1
6,covalent,SING,O28,H78,,,,,19092,bmse000961,1
7,covalent,SING,C27,C24,,,,,19092,bmse000961,1
8,covalent,SING,C27,C23,,,,,19092,bmse000961,1
9,covalent,SING,C27,C16,,,,,19092,bmse000961,1
10,covalent,SING,C27,C5,,,,,19092,bmse000961,1
11,covalent,SING,C24,C22,,,,,19092,bmse000961,1
12,covalent,SING,C24,C12,,,,,19092,bmse000961,1
13,covalent,SING,C24,H76,,,,,19092,bmse000961,1
14,covalent,SING,C22,C25,,,,,19092,bmse000961,1
15,covalent,SING,C22,C10,,,,,19092,bmse000961,1
16,covalent,SING,C22,H74,,,,,19092,bmse000961,1
17,covalent,SING,C25,C26,,,,,19092,bmse000961,1
18,covalent,SING,C25,C14,,,,,19092,bmse000961,1
19,covalent,SING,C25,H77,,,,,19092,bmse000961,1
20,covalent,SING,C23,C11,,,,,19092,bmse000961,1
21,covalent,SING,C23,C19,,,,,19092,bmse000961,1
22,covalent,SING,C23,H75,,,,,19092,bmse000961,1
23,covalent,SING,C16,C14,,,,,19092,bmse000961,1
24,covalent,SING,C16,H67,,,,,19092,bmse000961,1
25,covalent,SING,C16,H68,,,,,19092,bmse000961,1
26,covalent,SING,C26,C20,,,,,19092,bmse000961,1
27,covalent,SING,C26,C15,,,,,19092,bmse000961,1
28,covalent,SING,C26,C4,,,,,19092,bmse000961,1
29,covalent,SING,C12,C11,,,,,19092,bmse000961,1
30,covalent,SING,C12,H59,,,,,19092,bmse000961,1
31,covalent,SING,C12,H60,,,,,19092,bmse000961,1
32,covalent,SING,C14,H63,,,,,19092,bmse000961,1
33,covalent,SING,C14,H64,,,,,19092,bmse000961,1
34,covalent,SING,C11,H57,,,,,19092,bmse000961,1
35,covalent,SING,C11,H58,,,,,19092,bmse000961,1
36,covalent,SING,C10,C9,,,,,19092,bmse000961,1
37,covalent,SING,C10,H55,,,,,19092,bmse000961,1
38,covalent,SING,C10,H56,,,,,19092,bmse000961,1
39,covalent,SING,C19,C8,,,,,19092,bmse000961,1
40,covalent,SING,C19,C3,,,,,19092,bmse000961,1
41,covalent,SING,C19,H72,,,,,19092,bmse000961,1
42,covalent,SING,C5,H47,,,,,19092,bmse000961,1
43,covalent,SING,C5,H46,,,,,19092,bmse000961,1
44,covalent,SING,C5,H45,,,,,19092,bmse000961,1
45,covalent,DOUB,C20,C9,,,,,19092,bmse000961,1
46,covalent,SING,C20,C17,,,,,19092,bmse000961,1
47,covalent,SING,C15,C13,,,,,19092,bmse000961,1
48,covalent,SING,C15,H65,,,,,19092,bmse000961,1
49,covalent,SING,C15,H66,,,,,19092,bmse000961,1
50,covalent,SING,C9,H54,,,,,19092,bmse000961,1
51,covalent,SING,C4,H43,,,,,19092,bmse000961,1
52,covalent,SING,C4,H42,,,,,19092,bmse000961,1
53,covalent,SING,C4,H44,,,,,19092,bmse000961,1
54,covalent,SING,C17,C21,,,,,19092,bmse000961,1
55,covalent,SING,C17,H69,,,,,19092,bmse000961,1
56,covalent,SING,C17,H70,,,,,19092,bmse000961,1
57,covalent,SING,C13,C21,,,,,19092,bmse000961,1
58,covalent,SING,C13,H61,,,,,19092,bmse000961,1
59,covalent,SING,C13,H62,,,,,19092,bmse000961,1
60,covalent,SING,C8,C6,,,,,19092,bmse000961,1
61,covalent,SING,C8,H52,,,,,19092,bmse000961,1
62,covalent,SING,C8,H53,,,,,19092,bmse000961,1
63,covalent,SING,C21,H73,,,,,19092,bmse000961,1
64,covalent,SING,C3,H39,,,,,19092,bmse000961,1
65,covalent,SING,C3,H40,,,,,19092,bmse000961,1
66,covalent,SING,C3,H41,,,,,19092,bmse000961,1
67,covalent,SING,C6,C7,,,,,19092,bmse000961,1
68,covalent,SING,C6,H48,,,,,19092,bmse000961,1
69,covalent,SING,C6,H49,,,,,19092,bmse000961,1
70,covalent,SING,C7,C18,,,,,19092,bmse000961,1
71,covalent,SING,C7,H50,,,,,19092,bmse000961,1
72,covalent,SING,C7,H51,,,,,19092,bmse000961,1
73,covalent,SING,C18,C1,,,,,19092,bmse000961,1
74,covalent,SING,C18,C2,,,,,19092,bmse000961,1
75,covalent,SING,C18,H71,,,,,19092,bmse000961,1
76,covalent,SING,C1,H35,,,,,19092,bmse000961,1
77,covalent,SING,C1,H34,,,,,19092,bmse000961,1
78,covalent,SING,C1,H33,,,,,19092,bmse000961,1
79,covalent,SING,C2,H38,,,,,19092,bmse000961,1
80,covalent,SING,C2,H37,,,,,19092,bmse000961,1
81,covalent,SING,C2,H36,,,,,19092,bmse000961,1
1,covalent,SING,O10,C7,,,,,19112,bmse000962,1
2,covalent,SING,O10,H16,,,,,19112,bmse000962,1
3,covalent,SING,O9,C6,,,,,19112,bmse000962,1
4,covalent,SING,O9,H15,,,,,19112,bmse000962,1
5,covalent,DOUB,O8,C4,,,,,19112,bmse000962,1
6,covalent,DOUB,C5,C7,,,,,19112,bmse000962,1
7,covalent,SING,C5,C3,,,,,19112,bmse000962,1
8,covalent,SING,C5,C4,,,,,19112,bmse000962,1
9,covalent,SING,C7,C2,,,,,19112,bmse000962,1
10,covalent,DOUB,C3,C6,,,,,19112,bmse000962,1
11,covalent,SING,C3,H13,,,,,19112,bmse000962,1
12,covalent,SING,C6,C1,,,,,19112,bmse000962,1
13,covalent,DOUB,C2,C1,,,,,19112,bmse000962,1
14,covalent,SING,C2,H12,,,,,19112,bmse000962,1
15,covalent,SING,C1,H11,,,,,19112,bmse000962,1
16,covalent,SING,C4,H14,,,,,19112,bmse000962,1
1,covalent,SING,O11,C10,,,,,19132,bmse000963,1
2,covalent,SING,O11,C9,,,,,19132,bmse000963,1
3,covalent,SING,C10,C9,,,,,19132,bmse000963,1
4,covalent,SING,C10,C5,,,,,19132,bmse000963,1
5,covalent,SING,C10,C3,,,,,19132,bmse000963,1
6,covalent,SING,C9,C6,,,,,19132,bmse000963,1
7,covalent,SING,C9,H27,,,,,19132,bmse000963,1
8,covalent,SING,C5,C4,,,,,19132,bmse000963,1
9,covalent,SING,C5,H22,,,,,19132,bmse000963,1
10,covalent,SING,C5,H23,,,,,19132,bmse000963,1
11,covalent,SING,C6,C8,,,,,19132,bmse000963,1
12,covalent,SING,C6,H24,,,,,19132,bmse000963,1
13,covalent,SING,C6,H25,,,,,19132,bmse000963,1
14,covalent,SING,C8,C4,,,,,19132,bmse000963,1
15,covalent,SING,C8,C7,,,,,19132,bmse000963,1
16,covalent,SING,C8,H26,,,,,19132,bmse000963,1
17,covalent,SING,C4,H20,,,,,19132,bmse000963,1
18,covalent,SING,C4,H21,,,,,19132,bmse000963,1
19,covalent,SING,C3,H18,,,,,19132,bmse000963,1
20,covalent,SING,C3,H19,,,,,19132,bmse000963,1
21,covalent,SING,C3,H17,,,,,19132,bmse000963,1
22,covalent,SING,C7,C2,,,,,19132,bmse000963,1
23,covalent,DOUB,C7,C1,,,,,19132,bmse000963,1
24,covalent,SING,C2,H14,,,,,19132,bmse000963,1
25,covalent,SING,C2,H16,,,,,19132,bmse000963,1
26,covalent,SING,C2,H15,,,,,19132,bmse000963,1
27,covalent,SING,C1,H12,,,,,19132,bmse000963,1
28,covalent,SING,C1,H13,,,,,19132,bmse000963,1
1,covalent,SING,C6,C7,,,,,19151,bmse000964,1
2,covalent,SING,C6,C8,,,,,19151,bmse000964,1
3,covalent,SING,C6,H23,,,,,19151,bmse000964,1
4,covalent,SING,C6,H24,,,,,19151,bmse000964,1
5,covalent,DOUB,C9,C7,,,,,19151,bmse000964,1
6,covalent,SING,C9,C2,,,,,19151,bmse000964,1
7,covalent,SING,C9,C3,,,,,19151,bmse000964,1
8,covalent,SING,C7,H25,,,,,19151,bmse000964,1
9,covalent,DOUB,C8,C10,,,,,19151,bmse000964,1
10,covalent,SING,C8,H26,,,,,19151,bmse000964,1
11,covalent,SING,C10,C4,,,,,19151,bmse000964,1
12,covalent,SING,C10,C5,,,,,19151,bmse000964,1
13,covalent,SING,C2,H13,,,,,19151,bmse000964,1
14,covalent,SING,C2,H14,,,,,19151,bmse000964,1
15,covalent,SING,C2,H15,,,,,19151,bmse000964,1
16,covalent,SING,C3,H16,,,,,19151,bmse000964,1
17,covalent,SING,C3,H18,,,,,19151,bmse000964,1
18,covalent,SING,C3,H17,,,,,19151,bmse000964,1
19,covalent,SING,C4,H19,,,,,19151,bmse000964,1
20,covalent,SING,C4,H20,,,,,19151,bmse000964,1
21,covalent,SING,C4,H21,,,,,19151,bmse000964,1
22,covalent,DOUB,C5,C1,,,,,19151,bmse000964,1
23,covalent,SING,C5,H22,,,,,19151,bmse000964,1
24,covalent,SING,C1,H11,,,,,19151,bmse000964,1
25,covalent,SING,C1,H12,,,,,19151,bmse000964,1
1,covalent,SING,C6,C5,,,,,19170,bmse000965,1
2,covalent,SING,C6,O12,,,,,19170,bmse000965,1
3,covalent,SING,C6,C2,,,,,19170,bmse000965,1
4,covalent,SING,C6,O11,,,,,19170,bmse000965,1
5,covalent,SING,C5,C4,,,,,19170,bmse000965,1
6,covalent,SING,C5,O10,,,,,19170,bmse000965,1
7,covalent,SING,C5,H19,,,,,19170,bmse000965,1
8,covalent,SING,O12,C1,,,,,19170,bmse000965,1
9,covalent,SING,C2,O7,,,,,19170,bmse000965,1
10,covalent,SING,C2,H15,,,,,19170,bmse000965,1
11,covalent,SING,C2,H16,,,,,19170,bmse000965,1
12,covalent,SING,O11,H24,,,,,19170,bmse000965,1
13,covalent,SING,C4,C3,,,,,19170,bmse000965,1
14,covalent,SING,C4,O9,,,,,19170,bmse000965,1
15,covalent,SING,C4,H18,,,,,19170,bmse000965,1
16,covalent,SING,O10,H23,,,,,19170,bmse000965,1
17,covalent,SING,C1,C3,,,,,19170,bmse000965,1
18,covalent,SING,C1,H13,,,,,19170,bmse000965,1
19,covalent,SING,C1,H14,,,,,19170,bmse000965,1
20,covalent,SING,O7,H20,,,,,19170,bmse000965,1
21,covalent,SING,C3,O8,,,,,19170,bmse000965,1
22,covalent,SING,C3,H17,,,,,19170,bmse000965,1
23,covalent,SING,O9,H22,,,,,19170,bmse000965,1
24,covalent,SING,O8,H21,,,,,19170,bmse000965,1
1,covalent,SING,C4,C1,,,,,19185,bmse000966,1
2,covalent,SING,C4,N6,,,,,19185,bmse000966,1
3,covalent,SING,C4,C5,,,,,19185,bmse000966,1
4,covalent,SING,C4,H15,,,,,19185,bmse000966,1
5,covalent,SING,C1,C3,,,,,19185,bmse000966,1
6,covalent,SING,C1,H10,,,,,19185,bmse000966,1
7,covalent,SING,C1,H11,,,,,19185,bmse000966,1
8,covalent,SING,N6,C2,,,,,19185,bmse000966,1
9,covalent,SING,N6,H16,,,,,19185,bmse000966,1
10,covalent,SING,C5,O8,,,,,19185,bmse000966,1
11,covalent,DOUB,C5,O9,,,,,19185,bmse000966,1
12,covalent,SING,C3,C2,,,,,19185,bmse000966,1
13,covalent,SING,C3,O7,,,,,19185,bmse000966,1
14,covalent,SING,C3,H14,,,,,19185,bmse000966,1
15,covalent,SING,C2,H12,,,,,19185,bmse000966,1
16,covalent,SING,C2,H13,,,,,19185,bmse000966,1
17,covalent,SING,O8,H18,,,,,19185,bmse000966,1
18,covalent,SING,O7,H17,,,,,19185,bmse000966,1
1,covalent,SING,C3,C1,,,,,19200,bmse000967,1
2,covalent,DOUB,C3,O5,,,,,19200,bmse000967,1
3,covalent,SING,C3,O6,,,,,19200,bmse000967,1
4,covalent,SING,C1,C2,,,,,19200,bmse000967,1
5,covalent,SING,C1,H7,,,,,19200,bmse000967,1
6,covalent,SING,C1,H8,,,,,19200,bmse000967,1
7,covalent,SING,O6,H13,,,,,19200,bmse000967,1
8,covalent,SING,N4,C2,,,,,19200,bmse000967,1
9,covalent,SING,N4,H11,,,,,19200,bmse000967,1
10,covalent,SING,N4,H12,,,,,19200,bmse000967,1
11,covalent,SING,C2,H9,,,,,19200,bmse000967,1
12,covalent,SING,C2,H10,,,,,19200,bmse000967,1
1,covalent,DOUB,C3,O5,,,,,19215,bmse000968,1
2,covalent,SING,C3,C1,,,,,19215,bmse000968,1
3,covalent,SING,C3,O6,,,,,19215,bmse000968,1
4,covalent,DOUB,C4,O7,,,,,19215,bmse000968,1
5,covalent,SING,C4,C2,,,,,19215,bmse000968,1
6,covalent,SING,C4,O8,,,,,19215,bmse000968,1
7,covalent,SING,C1,C2,,,,,19215,bmse000968,1
8,covalent,SING,C1,H9,,,,,19215,bmse000968,1
9,covalent,SING,C1,H10,,,,,19215,bmse000968,1
10,covalent,SING,C2,H11,,,,,19215,bmse000968,1
11,covalent,SING,C2,H12,,,,,19215,bmse000968,1
12,covalent,SING,O6,H13,,,,,19215,bmse000968,1
13,covalent,SING,O8,H14,,,,,19215,bmse000968,1
1,covalent,DOUB,C1,C2,,,,,19229,bmse000969,1
2,covalent,SING,C1,C5,,,,,19229,bmse000969,1
3,covalent,SING,C1,H18,,,,,19229,bmse000969,1
4,covalent,SING,C2,N12,,,,,19229,bmse000969,1
5,covalent,SING,C2,H19,,,,,19229,bmse000969,1
6,covalent,SING,C4,C3,,,,,19229,bmse000969,1
7,covalent,SING,C3,O13,,,,,19229,bmse000969,1
8,covalent,SING,C3,H20,,,,,19229,bmse000969,1
9,covalent,SING,C3,H21,,,,,19229,bmse000969,1
10,covalent,SING,C5,N10,,,,,19229,bmse000969,1
11,covalent,DOUB,C5,N11,,,,,19229,bmse000969,1
12,covalent,SING,C9,N11,,,,,19229,bmse000969,1
13,covalent,SING,C9,N12,,,,,19229,bmse000969,1
14,covalent,DOUB,C9,O16,,,,,19229,bmse000969,1
15,covalent,SING,C4,C6,,,,,19229,bmse000969,1
16,covalent,SING,C4,O17,,,,,19229,bmse000969,1
17,covalent,SING,C4,H22,,,,,19229,bmse000969,1
18,covalent,SING,C6,C7,,,,,19229,bmse000969,1
19,covalent,SING,C6,O14,,,,,19229,bmse000969,1
20,covalent,SING,C6,H23,,,,,19229,bmse000969,1
21,covalent,SING,C7,C8,,,,,19229,bmse000969,1
22,covalent,SING,C7,O15,,,,,19229,bmse000969,1
23,covalent,SING,C7,H24,,,,,19229,bmse000969,1
24,covalent,SING,C8,N12,,,,,19229,bmse000969,1
25,covalent,SING,C8,O17,,,,,19229,bmse000969,1
26,covalent,SING,C8,H25,,,,,19229,bmse000969,1
27,covalent,SING,N10,H26,,,,,19229,bmse000969,1
28,covalent,SING,N10,H27,,,,,19229,bmse000969,1
29,covalent,SING,O13,H28,,,,,19229,bmse000969,1
30,covalent,SING,O14,H29,,,,,19229,bmse000969,1
31,covalent,SING,O15,H30,,,,,19229,bmse000969,1
1,covalent,SING,O9,C8,,,,,19244,bmse000970,1
2,covalent,SING,O9,H27,,,,,19244,bmse000970,1
3,covalent,SING,C5,C4,,,,,19244,bmse000970,1
4,covalent,SING,C5,C6,,,,,19244,bmse000970,1
5,covalent,SING,C5,H19,,,,,19244,bmse000970,1
6,covalent,SING,C5,H20,,,,,19244,bmse000970,1
7,covalent,SING,C4,C3,,,,,19244,bmse000970,1
8,covalent,SING,C4,H17,,,,,19244,bmse000970,1
9,covalent,SING,C4,H18,,,,,19244,bmse000970,1
10,covalent,SING,C6,C7,,,,,19244,bmse000970,1
11,covalent,SING,C6,H21,,,,,19244,bmse000970,1
12,covalent,SING,C6,H22,,,,,19244,bmse000970,1
13,covalent,SING,C3,C2,,,,,19244,bmse000970,1
14,covalent,SING,C3,H15,,,,,19244,bmse000970,1
15,covalent,SING,C3,H16,,,,,19244,bmse000970,1
16,covalent,SING,C7,C8,,,,,19244,bmse000970,1
17,covalent,SING,C7,H23,,,,,19244,bmse000970,1
18,covalent,SING,C7,H24,,,,,19244,bmse000970,1
19,covalent,SING,C2,C1,,,,,19244,bmse000970,1
20,covalent,SING,C2,H13,,,,,19244,bmse000970,1
21,covalent,SING,C2,H14,,,,,19244,bmse000970,1
22,covalent,SING,C8,H25,,,,,19244,bmse000970,1
23,covalent,SING,C8,H26,,,,,19244,bmse000970,1
24,covalent,SING,C1,H12,,,,,19244,bmse000970,1
25,covalent,SING,C1,H10,,,,,19244,bmse000970,1
26,covalent,SING,C1,H11,,,,,19244,bmse000970,1
1,covalent,SING,O10,C6,,,,,19265,bmse000971,1
2,covalent,SING,O10,C7,,,,,19265,bmse000971,1
3,covalent,SING,N9,C4,,,,,19265,bmse000971,1
4,covalent,SING,N9,C5,,,,,19265,bmse000971,1
5,covalent,SING,N9,C3,,,,,19265,bmse000971,1
6,covalent,SING,N8,C2,,,,,19265,bmse000971,1
7,covalent,SING,N8,H25,,,,,19265,bmse000971,1
8,covalent,SING,N8,H26,,,,,19265,bmse000971,1
9,covalent,SING,C4,C6,,,,,19265,bmse000971,1
10,covalent,SING,C4,H17,,,,,19265,bmse000971,1
11,covalent,SING,C4,H18,,,,,19265,bmse000971,1
12,covalent,SING,C5,C7,,,,,19265,bmse000971,1
13,covalent,SING,C5,H19,,,,,19265,bmse000971,1
14,covalent,SING,C5,H20,,,,,19265,bmse000971,1
15,covalent,SING,C3,C1,,,,,19265,bmse000971,1
16,covalent,SING,C3,H15,,,,,19265,bmse000971,1
17,covalent,SING,C3,H16,,,,,19265,bmse000971,1
18,covalent,SING,C6,H21,,,,,19265,bmse000971,1
19,covalent,SING,C6,H22,,,,,19265,bmse000971,1
20,covalent,SING,C7,H23,,,,,19265,bmse000971,1
21,covalent,SING,C7,H24,,,,,19265,bmse000971,1
22,covalent,SING,C1,C2,,,,,19265,bmse000971,1
23,covalent,SING,C1,H11,,,,,19265,bmse000971,1
24,covalent,SING,C1,H12,,,,,19265,bmse000971,1
25,covalent,SING,C2,H13,,,,,19265,bmse000971,1
26,covalent,SING,C2,H14,,,,,19265,bmse000971,1
1,covalent,DOUB,O5,C4,,,,,19285,bmse000972,1
2,covalent,SING,C2,C3,,,,,19285,bmse000972,1
3,covalent,SING,C2,C1,,,,,19285,bmse000972,1
4,covalent,SING,C2,H9,,,,,19285,bmse000972,1
5,covalent,SING,C2,H10,,,,,19285,bmse000972,1
6,covalent,SING,C3,C4,,,,,19285,bmse000972,1
7,covalent,SING,C3,H11,,,,,19285,bmse000972,1
8,covalent,SING,C3,H12,,,,,19285,bmse000972,1
9,covalent,SING,C1,H8,,,,,19285,bmse000972,1
10,covalent,SING,C1,H6,,,,,19285,bmse000972,1
11,covalent,SING,C1,H7,,,,,19285,bmse000972,1
12,covalent,SING,C4,H13,,,,,19285,bmse000972,1
1,covalent,SING,O9,C6,,,,,19306,bmse000973,1
2,covalent,SING,O9,C2,,,,,19306,bmse000973,1
3,covalent,DOUB,O8,C6,,,,,19306,bmse000973,1
4,covalent,SING,N7,C5,,,,,19306,bmse000973,1
5,covalent,SING,N7,H21,,,,,19306,bmse000973,1
6,covalent,SING,N7,H22,,,,,19306,bmse000973,1
7,covalent,SING,C3,C4,,,,,19306,bmse000973,1
8,covalent,SING,C3,C5,,,,,19306,bmse000973,1
9,covalent,SING,C3,H15,,,,,19306,bmse000973,1
10,covalent,SING,C3,H16,,,,,19306,bmse000973,1
11,covalent,SING,C4,C6,,,,,19306,bmse000973,1
12,covalent,SING,C4,H17,,,,,19306,bmse000973,1
13,covalent,SING,C4,H18,,,,,19306,bmse000973,1
14,covalent,SING,C5,H19,,,,,19306,bmse000973,1
15,covalent,SING,C5,H20,,,,,19306,bmse000973,1
16,covalent,SING,C2,C1,,,,,19306,bmse000973,1
17,covalent,SING,C2,H13,,,,,19306,bmse000973,1
18,covalent,SING,C2,H14,,,,,19306,bmse000973,1
19,covalent,SING,C1,H10,,,,,19306,bmse000973,1
20,covalent,SING,C1,H11,,,,,19306,bmse000973,1
21,covalent,SING,C1,H12,,,,,19306,bmse000973,1
1,covalent,SING,O10,C8,,,,,19326,bmse000974,1
2,covalent,SING,O10,H25,,,,,19326,bmse000974,1
3,covalent,SING,N9,C7,,,,,19326,bmse000974,1
4,covalent,SING,N9,C6,,,,,19326,bmse000974,1
5,covalent,SING,N9,C1,,,,,19326,bmse000974,1
6,covalent,SING,C7,C3,,,,,19326,bmse000974,1
7,covalent,SING,C7,C5,,,,,19326,bmse000974,1
8,covalent,SING,C7,H23,,,,,19326,bmse000974,1
9,covalent,SING,C6,C2,,,,,19326,bmse000974,1
10,covalent,SING,C6,C4,,,,,19326,bmse000974,1
11,covalent,SING,C6,H22,,,,,19326,bmse000974,1
12,covalent,SING,C3,C2,,,,,19326,bmse000974,1
13,covalent,SING,C3,H16,,,,,19326,bmse000974,1
14,covalent,SING,C3,H17,,,,,19326,bmse000974,1
15,covalent,SING,C2,H14,,,,,19326,bmse000974,1
16,covalent,SING,C2,H15,,,,,19326,bmse000974,1
17,covalent,SING,C4,C8,,,,,19326,bmse000974,1
18,covalent,SING,C4,H18,,,,,19326,bmse000974,1
19,covalent,SING,C4,H19,,,,,19326,bmse000974,1
20,covalent,SING,C5,C8,,,,,19326,bmse000974,1
21,covalent,SING,C5,H20,,,,,19326,bmse000974,1
22,covalent,SING,C5,H21,,,,,19326,bmse000974,1
23,covalent,SING,C8,H24,,,,,19326,bmse000974,1
24,covalent,SING,C1,H11,,,,,19326,bmse000974,1
25,covalent,SING,C1,H13,,,,,19326,bmse000974,1
26,covalent,SING,C1,H12,,,,,19326,bmse000974,1
1,covalent,SING,C2,N4,,,,,19348,bmse000975,1
2,covalent,SING,N4,H11,,,,,19348,bmse000975,1
3,covalent,SING,N4,H12,,,,,19348,bmse000975,1
4,covalent,SING,C2,C3,,,,,19348,bmse000975,1
5,covalent,SING,C2,C1,,,,,19348,bmse000975,1
6,covalent,SING,C2,H10,,,,,19348,bmse000975,1
7,covalent,DOUB,C3,O5,,,,,19348,bmse000975,1
8,covalent,SING,C3,O6,,,,,19348,bmse000975,1
9,covalent,SING,C1,S7,,,,,19348,bmse000975,1
10,covalent,SING,C1,H8,,,,,19348,bmse000975,1
11,covalent,SING,C1,H9,,,,,19348,bmse000975,1
12,covalent,SING,S7,H14,,,,,19348,bmse000975,1
13,covalent,SING,O6,H13,,,,,19348,bmse000975,1
1,covalent,DOUB,C2,C4,,,,,19363,bmse000976,1
2,covalent,SING,C2,N8,,,,,19363,bmse000976,1
3,covalent,SING,C2,H14,,,,,19363,bmse000976,1
4,covalent,SING,C3,N9,,,,,19363,bmse000976,1
5,covalent,DOUB,C3,N8,,,,,19363,bmse000976,1
6,covalent,SING,C3,H15,,,,,19363,bmse000976,1
7,covalent,SING,C1,C4,,,,,19363,bmse000976,1
8,covalent,SING,C1,C5,,,,,19363,bmse000976,1
9,covalent,SING,C1,H12,,,,,19363,bmse000976,1
10,covalent,SING,C1,H13,,,,,19363,bmse000976,1
11,covalent,SING,C4,N9,,,,,19363,bmse000976,1
12,covalent,SING,C5,C6,,,,,19363,bmse000976,1
13,covalent,SING,C5,N7,,,,,19363,bmse000976,1
14,covalent,SING,C5,H16,,,,,19363,bmse000976,1
15,covalent,SING,C6,O10,,,,,19363,bmse000976,1
16,covalent,DOUB,C6,O11,,,,,19363,bmse000976,1
17,covalent,SING,N7,H17,,,,,19363,bmse000976,1
18,covalent,SING,N7,H18,,,,,19363,bmse000976,1
19,covalent,SING,N9,H19,,,,,19363,bmse000976,1
20,covalent,SING,O10,H20,,,,,19363,bmse000976,1
1,covalent,DOUB,C2,O4,,,,,19377,bmse000977,1
2,covalent,SING,C2,O5,,,,,19377,bmse000977,1
3,covalent,SING,C2,C1,,,,,19377,bmse000977,1
4,covalent,SING,O5,H10,,,,,19377,bmse000977,1
5,covalent,SING,N3,C1,,,,,19377,bmse000977,1
6,covalent,SING,N3,H8,,,,,19377,bmse000977,1
7,covalent,SING,N3,H9,,,,,19377,bmse000977,1
8,covalent,SING,C1,H6,,,,,19377,bmse000977,1
9,covalent,SING,C1,H7,,,,,19377,bmse000977,1
1,covalent,SING,O15,C1,,,,,19392,bmse000978,1
2,covalent,SING,O15,H29,,,,,19392,bmse000978,1
3,covalent,SING,C7,O17,,,,,19392,bmse000978,1
4,covalent,SING,O17,H31,,,,,19392,bmse000978,1
5,covalent,SING,C6,O16,,,,,19392,bmse000978,1
6,covalent,SING,O16,H30,,,,,19392,bmse000978,1
7,covalent,SING,O19,C10,,,,,19392,bmse000978,1
8,covalent,SING,O19,C4,,,,,19392,bmse000978,1
9,covalent,DOUB,O18,C9,,,,,19392,bmse000978,1
10,covalent,SING,C10,N14,,,,,19392,bmse000978,1
11,covalent,SING,N14,C8,,,,,19392,bmse000978,1
12,covalent,SING,N14,C3,,,,,19392,bmse000978,1
13,covalent,SING,N11,C8,,,,,19392,bmse000978,1
14,covalent,SING,N11,C2,,,,,19392,bmse000978,1
15,covalent,SING,N11,H28,,,,,19392,bmse000978,1
16,covalent,SING,N12,C9,,,,,19392,bmse000978,1
17,covalent,DOUB,N12,C2,,,,,19392,bmse000978,1
18,covalent,SING,N13,C5,,,,,19392,bmse000978,1
19,covalent,DOUB,N13,C3,,,,,19392,bmse000978,1
20,covalent,SING,C4,C1,,,,,19392,bmse000978,1
21,covalent,SING,C1,H20,,,,,19392,bmse000978,1
22,covalent,SING,C1,H21,,,,,19392,bmse000978,1
23,covalent,SING,C10,C7,,,,,19392,bmse000978,1
24,covalent,SING,C10,H27,,,,,19392,bmse000978,1
25,covalent,SING,C4,C6,,,,,19392,bmse000978,1
26,covalent,SING,C4,H24,,,,,19392,bmse000978,1
27,covalent,SING,C7,C6,,,,,19392,bmse000978,1
28,covalent,SING,C7,H26,,,,,19392,bmse000978,1
29,covalent,SING,C6,H25,,,,,19392,bmse000978,1
30,covalent,DOUB,C8,C5,,,,,19392,bmse000978,1
31,covalent,SING,C9,C5,,,,,19392,bmse000978,1
32,covalent,SING,C2,H22,,,,,19392,bmse000978,1
33,covalent,SING,C3,H23,,,,,19392,bmse000978,1
1,covalent,SING,C3,C2,,,,,19407,bmse000979,1
2,covalent,DOUB,C3,O5,,,,,19407,bmse000979,1
3,covalent,SING,C3,O6,,,,,19407,bmse000979,1
4,covalent,SING,C2,C1,,,,,19407,bmse000979,1
5,covalent,SING,C2,O4,,,,,19407,bmse000979,1
6,covalent,SING,C2,H10,,,,,19407,bmse000979,1
7,covalent,SING,C1,H7,,,,,19407,bmse000979,1
8,covalent,SING,C1,H9,,,,,19407,bmse000979,1
9,covalent,SING,C1,H8,,,,,19407,bmse000979,1
10,covalent,SING,O4,H11,,,,,19407,bmse000979,1
11,covalent,SING,O6,H12,,,,,19407,bmse000979,1
1,covalent,SING,O9,C8,,,,,19422,bmse000980,1
2,covalent,SING,O9,H27,,,,,19422,bmse000980,1
3,covalent,SING,C5,C4,,,,,19422,bmse000980,1
4,covalent,SING,C5,C6,,,,,19422,bmse000980,1
5,covalent,SING,C5,H19,,,,,19422,bmse000980,1
6,covalent,SING,C5,H20,,,,,19422,bmse000980,1
7,covalent,SING,C4,C3,,,,,19422,bmse000980,1
8,covalent,SING,C4,H17,,,,,19422,bmse000980,1
9,covalent,SING,C4,H18,,,,,19422,bmse000980,1
10,covalent,SING,C6,C7,,,,,19422,bmse000980,1
11,covalent,SING,C6,H21,,,,,19422,bmse000980,1
12,covalent,SING,C6,H22,,,,,19422,bmse000980,1
13,covalent,SING,C3,C2,,,,,19422,bmse000980,1
14,covalent,SING,C3,H15,,,,,19422,bmse000980,1
15,covalent,SING,C3,H16,,,,,19422,bmse000980,1
16,covalent,SING,C7,C8,,,,,19422,bmse000980,1
17,covalent,SING,C7,H23,,,,,19422,bmse000980,1
18,covalent,SING,C7,H24,,,,,19422,bmse000980,1
19,covalent,SING,C2,C1,,,,,19422,bmse000980,1
20,covalent,SING,C2,H13,,,,,19422,bmse000980,1
21,covalent,SING,C2,H14,,,,,19422,bmse000980,1
22,covalent,SING,C8,H25,,,,,19422,bmse000980,1
23,covalent,SING,C8,H26,,,,,19422,bmse000980,1
24,covalent,SING,C1,H12,,,,,19422,bmse000980,1
25,covalent,SING,C1,H10,,,,,19422,bmse000980,1
26,covalent,SING,C1,H11,,,,,19422,bmse000980,1
1,covalent,SING,O10,C6,,,,,19436,bmse000981,1
2,covalent,SING,O10,C7,,,,,19436,bmse000981,1
3,covalent,SING,N9,C4,,,,,19436,bmse000981,1
4,covalent,SING,N9,C5,,,,,19436,bmse000981,1
5,covalent,SING,N9,C3,,,,,19436,bmse000981,1
6,covalent,SING,N8,C2,,,,,19436,bmse000981,1
7,covalent,SING,N8,H25,,,,,19436,bmse000981,1
8,covalent,SING,N8,H26,,,,,19436,bmse000981,1
9,covalent,SING,C4,C6,,,,,19436,bmse000981,1
10,covalent,SING,C4,H17,,,,,19436,bmse000981,1
11,covalent,SING,C4,H18,,,,,19436,bmse000981,1
12,covalent,SING,C5,C7,,,,,19436,bmse000981,1
13,covalent,SING,C5,H19,,,,,19436,bmse000981,1
14,covalent,SING,C5,H20,,,,,19436,bmse000981,1
15,covalent,SING,C3,C1,,,,,19436,bmse000981,1
16,covalent,SING,C3,H15,,,,,19436,bmse000981,1
17,covalent,SING,C3,H16,,,,,19436,bmse000981,1
18,covalent,SING,C6,H21,,,,,19436,bmse000981,1
19,covalent,SING,C6,H22,,,,,19436,bmse000981,1
20,covalent,SING,C7,H23,,,,,19436,bmse000981,1
21,covalent,SING,C7,H24,,,,,19436,bmse000981,1
22,covalent,SING,C1,C2,,,,,19436,bmse000981,1
23,covalent,SING,C1,H11,,,,,19436,bmse000981,1
24,covalent,SING,C1,H12,,,,,19436,bmse000981,1
25,covalent,SING,C2,H13,,,,,19436,bmse000981,1
26,covalent,SING,C2,H14,,,,,19436,bmse000981,1
1,covalent,SING,O12,C7,,,,,19451,bmse000982,1
2,covalent,SING,O12,H24,,,,,19451,bmse000982,1
3,covalent,SING,O10,C6,,,,,19451,bmse000982,1
4,covalent,SING,O10,H23,,,,,19451,bmse000982,1
5,covalent,DOUB,O11,C6,,,,,19451,bmse000982,1
6,covalent,SING,O8,C5,,,,,19451,bmse000982,1
7,covalent,SING,O8,H22,,,,,19451,bmse000982,1
8,covalent,DOUB,O9,C5,,,,,19451,bmse000982,1
9,covalent,SING,C7,C4,,,,,19451,bmse000982,1
10,covalent,SING,C7,C3,,,,,19451,bmse000982,1
11,covalent,SING,C7,C6,,,,,19451,bmse000982,1
12,covalent,SING,C4,C1,,,,,19451,bmse000982,1
13,covalent,SING,C4,C2,,,,,19451,bmse000982,1
14,covalent,SING,C4,H21,,,,,19451,bmse000982,1
15,covalent,SING,C3,C5,,,,,19451,bmse000982,1
16,covalent,SING,C3,H19,,,,,19451,bmse000982,1
17,covalent,SING,C3,H20,,,,,19451,bmse000982,1
18,covalent,SING,C1,H15,,,,,19451,bmse000982,1
19,covalent,SING,C1,H14,,,,,19451,bmse000982,1
20,covalent,SING,C1,H13,,,,,19451,bmse000982,1
21,covalent,SING,C2,H18,,,,,19451,bmse000982,1
22,covalent,SING,C2,H17,,,,,19451,bmse000982,1
23,covalent,SING,C2,H16,,,,,19451,bmse000982,1
1,covalent,SING,O10,C2,,,,,19471,bmse000983,1
2,covalent,SING,O10,C3,,,,,19471,bmse000983,1
3,covalent,SING,O8,C5,,,,,19471,bmse000983,1
4,covalent,SING,O8,H19,,,,,19471,bmse000983,1
5,covalent,DOUB,O9,C5,,,,,19471,bmse000983,1
6,covalent,DOUB,O7,C3,,,,,19471,bmse000983,1
7,covalent,SING,C4,N6,,,,,19471,bmse000983,1
8,covalent,SING,N6,H17,,,,,19471,bmse000983,1
9,covalent,SING,N6,H18,,,,,19471,bmse000983,1
10,covalent,SING,C4,C2,,,,,19471,bmse000983,1
11,covalent,SING,C4,C5,,,,,19471,bmse000983,1
12,covalent,SING,C4,H16,,,,,19471,bmse000983,1
13,covalent,SING,C2,H14,,,,,19471,bmse000983,1
14,covalent,SING,C2,H15,,,,,19471,bmse000983,1
15,covalent,SING,C3,C1,,,,,19471,bmse000983,1
16,covalent,SING,C1,H12,,,,,19471,bmse000983,1
17,covalent,SING,C1,H13,,,,,19471,bmse000983,1
18,covalent,SING,C1,H11,,,,,19471,bmse000983,1
1,covalent,SING,Cl6,C3,,,,,19490,bmse000984,1
2,covalent,SING,N8,C2,,,,,19490,bmse000984,1
3,covalent,SING,N8,C1,,,,,19490,bmse000984,1
4,covalent,SING,N8,H15,,,,,19490,bmse000984,1
5,covalent,SING,N9,C4,,,,,19490,bmse000984,1
6,covalent,DOUB,N9,C1,,,,,19490,bmse000984,1
7,covalent,SING,N11,C4,,,,,19490,bmse000984,1
8,covalent,DOUB,N11,C5,,,,,19490,bmse000984,1
9,covalent,DOUB,N10,C3,,,,,19490,bmse000984,1
10,covalent,SING,N10,C5,,,,,19490,bmse000984,1
11,covalent,SING,N7,C5,,,,,19490,bmse000984,1
12,covalent,SING,N7,H13,,,,,19490,bmse000984,1
13,covalent,SING,N7,H14,,,,,19490,bmse000984,1
14,covalent,DOUB,C2,C4,,,,,19490,bmse000984,1
15,covalent,SING,C2,C3,,,,,19490,bmse000984,1
16,covalent,SING,C1,H12,,,,,19490,bmse000984,1
1,covalent,SING,O18,C15,,,,,19510,bmse000985,1
2,covalent,SING,O18,C14,,,,,19510,bmse000985,1
3,covalent,DOUB,O17,C13,,,,,19510,bmse000985,1
4,covalent,SING,O16,C11,,,,,19510,bmse000985,1
5,covalent,SING,O16,H30,,,,,19510,bmse000985,1
6,covalent,SING,C15,C9,,,,,19510,bmse000985,1
7,covalent,SING,C15,C10,,,,,19510,bmse000985,1
8,covalent,SING,C15,H29,,,,,19510,bmse000985,1
9,covalent,SING,C9,C13,,,,,19510,bmse000985,1
10,covalent,SING,C9,H27,,,,,19510,bmse000985,1
11,covalent,SING,C9,H28,,,,,19510,bmse000985,1
12,covalent,DOUB,C10,C4,,,,,19510,bmse000985,1
13,covalent,SING,C10,C5,,,,,19510,bmse000985,1
14,covalent,SING,C12,C13,,,,,19510,bmse000985,1
15,covalent,DOUB,C12,C14,,,,,19510,bmse000985,1
16,covalent,SING,C12,C8,,,,,19510,bmse000985,1
17,covalent,SING,C14,C7,,,,,19510,bmse000985,1
18,covalent,DOUB,C8,C11,,,,,19510,bmse000985,1
19,covalent,SING,C8,H26,,,,,19510,bmse000985,1
20,covalent,SING,C4,C2,,,,,19510,bmse000985,1
21,covalent,SING,C4,H22,,,,,19510,bmse000985,1
22,covalent,DOUB,C5,C3,,,,,19510,bmse000985,1
23,covalent,SING,C5,H23,,,,,19510,bmse000985,1
24,covalent,DOUB,C7,C6,,,,,19510,bmse000985,1
25,covalent,SING,C7,H25,,,,,19510,bmse000985,1
26,covalent,SING,C11,C6,,,,,19510,bmse000985,1
27,covalent,SING,C6,H24,,,,,19510,bmse000985,1
28,covalent,DOUB,C2,C1,,,,,19510,bmse000985,1
29,covalent,SING,C2,H20,,,,,19510,bmse000985,1
30,covalent,SING,C3,C1,,,,,19510,bmse000985,1
31,covalent,SING,C3,H21,,,,,19510,bmse000985,1
32,covalent,SING,C1,H19,,,,,19510,bmse000985,1
1,covalent,SING,O13,C8,,,,,19529,bmse000986,1
2,covalent,SING,O13,C9,,,,,19529,bmse000986,1
3,covalent,SING,O10,C6,,,,,19529,bmse000986,1
4,covalent,SING,O10,H18,,,,,19529,bmse000986,1
5,covalent,SING,O11,C7,,,,,19529,bmse000986,1
6,covalent,SING,O11,H19,,,,,19529,bmse000986,1
7,covalent,DOUB,O12,C9,,,,,19529,bmse000986,1
8,covalent,SING,C5,C8,,,,,19529,bmse000986,1
9,covalent,DOUB,C5,C3,,,,,19529,bmse000986,1
10,covalent,SING,C5,C1,,,,,19529,bmse000986,1
11,covalent,DOUB,C8,C4,,,,,19529,bmse000986,1
12,covalent,SING,C3,C6,,,,,19529,bmse000986,1
13,covalent,SING,C3,H16,,,,,19529,bmse000986,1
14,covalent,SING,C4,C7,,,,,19529,bmse000986,1
15,covalent,SING,C4,H17,,,,,19529,bmse000986,1
16,covalent,DOUB,C6,C7,,,,,19529,bmse000986,1
17,covalent,DOUB,C1,C2,,,,,19529,bmse000986,1
18,covalent,SING,C1,H14,,,,,19529,bmse000986,1
19,covalent,SING,C2,C9,,,,,19529,bmse000986,1
20,covalent,SING,C2,H15,,,,,19529,bmse000986,1
1,covalent,SING,C21,F22,,,,,19544,bmse000987,1
2,covalent,SING,C20,O27,,,,,19544,bmse000987,1
3,covalent,SING,O27,H56,,,,,19544,bmse000987,1
4,covalent,SING,C16,O25,,,,,19544,bmse000987,1
5,covalent,SING,O25,H55,,,,,19544,bmse000987,1
6,covalent,DOUB,O26,C17,,,,,19544,bmse000987,1
7,covalent,SING,O23,C11,,,,,19544,bmse000987,1
8,covalent,SING,O23,H54,,,,,19544,bmse000987,1
9,covalent,DOUB,O24,C13,,,,,19544,bmse000987,1
10,covalent,SING,C19,C14,,,,,19544,bmse000987,1
11,covalent,SING,C19,C20,,,,,19544,bmse000987,1
12,covalent,SING,C19,C10,,,,,19544,bmse000987,1
13,covalent,SING,C19,C2,,,,,19544,bmse000987,1
14,covalent,SING,C14,C15,,,,,19544,bmse000987,1
15,covalent,SING,C14,C6,,,,,19544,bmse000987,1
16,covalent,SING,C14,H51,,,,,19544,bmse000987,1
17,covalent,SING,C15,C21,,,,,19544,bmse000987,1
18,covalent,SING,C15,C4,,,,,19544,bmse000987,1
19,covalent,SING,C15,H52,,,,,19544,bmse000987,1
20,covalent,SING,C21,C18,,,,,19544,bmse000987,1
21,covalent,SING,C21,C16,,,,,19544,bmse000987,1
22,covalent,SING,C20,C8,,,,,19544,bmse000987,1
23,covalent,SING,C20,C17,,,,,19544,bmse000987,1
24,covalent,SING,C10,C16,,,,,19544,bmse000987,1
25,covalent,SING,C10,H47,,,,,19544,bmse000987,1
26,covalent,SING,C10,H48,,,,,19544,bmse000987,1
27,covalent,SING,C18,C12,,,,,19544,bmse000987,1
28,covalent,SING,C18,C7,,,,,19544,bmse000987,1
29,covalent,SING,C18,C1,,,,,19544,bmse000987,1
30,covalent,SING,C16,H53,,,,,19544,bmse000987,1
31,covalent,SING,C6,C8,,,,,19544,bmse000987,1
32,covalent,SING,C6,H40,,,,,19544,bmse000987,1
33,covalent,SING,C6,H41,,,,,19544,bmse000987,1
34,covalent,SING,C8,H44,,,,,19544,bmse000987,1
35,covalent,SING,C8,H45,,,,,19544,bmse000987,1
36,covalent,SING,C4,C3,,,,,19544,bmse000987,1
37,covalent,SING,C4,H36,,,,,19544,bmse000987,1
38,covalent,SING,C4,H37,,,,,19544,bmse000987,1
39,covalent,SING,C2,H31,,,,,19544,bmse000987,1
40,covalent,SING,C2,H33,,,,,19544,bmse000987,1
41,covalent,SING,C2,H32,,,,,19544,bmse000987,1
42,covalent,SING,C12,C3,,,,,19544,bmse000987,1
43,covalent,DOUB,C12,C9,,,,,19544,bmse000987,1
44,covalent,SING,C3,H34,,,,,19544,bmse000987,1
45,covalent,SING,C3,H35,,,,,19544,bmse000987,1
46,covalent,SING,C7,C5,,,,,19544,bmse000987,1
47,covalent,SING,C7,H42,,,,,19544,bmse000987,1
48,covalent,SING,C7,H43,,,,,19544,bmse000987,1
49,covalent,SING,C1,H28,,,,,19544,bmse000987,1
50,covalent,SING,C1,H30,,,,,19544,bmse000987,1
51,covalent,SING,C1,H29,,,,,19544,bmse000987,1
52,covalent,SING,C17,C11,,,,,19544,bmse000987,1
53,covalent,SING,C5,C13,,,,,19544,bmse000987,1
54,covalent,SING,C5,H38,,,,,19544,bmse000987,1
55,covalent,SING,C5,H39,,,,,19544,bmse000987,1
56,covalent,SING,C9,C13,,,,,19544,bmse000987,1
57,covalent,SING,C9,H46,,,,,19544,bmse000987,1
58,covalent,SING,C11,H49,,,,,19544,bmse000987,1
59,covalent,SING,C11,H50,,,,,19544,bmse000987,1
1,covalent,DOUB,O15,C8,,,,,19559,bmse000988,1
2,covalent,SING,N14,C12,,,,,19559,bmse000988,1
3,covalent,SING,N14,C11,,,,,19559,bmse000988,1
4,covalent,SING,N14,H27,,,,,19559,bmse000988,1
5,covalent,SING,N13,C5,,,,,19559,bmse000988,1
6,covalent,SING,N13,C7,,,,,19559,bmse000988,1
7,covalent,SING,N13,H26,,,,,19559,bmse000988,1
8,covalent,SING,C10,C4,,,,,19559,bmse000988,1
9,covalent,SING,C10,C12,,,,,19559,bmse000988,1
10,covalent,DOUB,C10,C9,,,,,19559,bmse000988,1
11,covalent,SING,C4,C5,,,,,19559,bmse000988,1
12,covalent,SING,C4,H21,,,,,19559,bmse000988,1
13,covalent,SING,C4,H22,,,,,19559,bmse000988,1
14,covalent,DOUB,C12,C7,,,,,19559,bmse000988,1
15,covalent,SING,C9,C11,,,,,19559,bmse000988,1
16,covalent,SING,C9,C3,,,,,19559,bmse000988,1
17,covalent,SING,C5,H23,,,,,19559,bmse000988,1
18,covalent,SING,C5,H24,,,,,19559,bmse000988,1
19,covalent,SING,C7,C1,,,,,19559,bmse000988,1
20,covalent,DOUB,C11,C6,,,,,19559,bmse000988,1
21,covalent,DOUB,C3,C2,,,,,19559,bmse000988,1
22,covalent,SING,C3,H20,,,,,19559,bmse000988,1
23,covalent,SING,C6,C8,,,,,19559,bmse000988,1
24,covalent,SING,C6,H25,,,,,19559,bmse000988,1
25,covalent,SING,C1,H16,,,,,19559,bmse000988,1
26,covalent,SING,C1,H17,,,,,19559,bmse000988,1
27,covalent,SING,C1,H18,,,,,19559,bmse000988,1
28,covalent,SING,C2,C8,,,,,19559,bmse000988,1
29,covalent,SING,C2,H19,,,,,19559,bmse000988,1
1,covalent,SING,O16,C13,,,,,19578,bmse000989,1
2,covalent,SING,O16,H32,,,,,19578,bmse000989,1
3,covalent,DOUB,O18,C15,,,,,19578,bmse000989,1
4,covalent,DOUB,O17,C14,,,,,19578,bmse000989,1
5,covalent,SING,C12,C8,,,,,19578,bmse000989,1
6,covalent,DOUB,C12,C13,,,,,19578,bmse000989,1
7,covalent,SING,C12,C15,,,,,19578,bmse000989,1
8,covalent,SING,C10,C13,,,,,19578,bmse000989,1
9,covalent,SING,C10,C11,,,,,19578,bmse000989,1
10,covalent,DOUB,C10,C5,,,,,19578,bmse000989,1
11,covalent,SING,C8,C7,,,,,19578,bmse000989,1
12,covalent,SING,C8,H30,,,,,19578,bmse000989,1
13,covalent,SING,C8,H31,,,,,19578,bmse000989,1
14,covalent,SING,C11,C14,,,,,19578,bmse000989,1
15,covalent,DOUB,C11,C6,,,,,19578,bmse000989,1
16,covalent,SING,C15,C14,,,,,19578,bmse000989,1
17,covalent,DOUB,C7,C9,,,,,19578,bmse000989,1
18,covalent,SING,C7,H29,,,,,19578,bmse000989,1
19,covalent,SING,C5,C3,,,,,19578,bmse000989,1
20,covalent,SING,C5,H27,,,,,19578,bmse000989,1
21,covalent,SING,C6,C4,,,,,19578,bmse000989,1
22,covalent,SING,C6,H28,,,,,19578,bmse000989,1
23,covalent,SING,C9,C1,,,,,19578,bmse000989,1
24,covalent,SING,C9,C2,,,,,19578,bmse000989,1
25,covalent,DOUB,C3,C4,,,,,19578,bmse000989,1
26,covalent,SING,C3,H25,,,,,19578,bmse000989,1
27,covalent,SING,C4,H26,,,,,19578,bmse000989,1
28,covalent,SING,C1,H20,,,,,19578,bmse000989,1
29,covalent,SING,C1,H21,,,,,19578,bmse000989,1
30,covalent,SING,C1,H19,,,,,19578,bmse000989,1
31,covalent,SING,C2,H22,,,,,19578,bmse000989,1
32,covalent,SING,C2,H24,,,,,19578,bmse000989,1
33,covalent,SING,C2,H23,,,,,19578,bmse000989,1
1,covalent,SING,O7,C5,,,,,19598,bmse000990,1
2,covalent,SING,O7,H19,,,,,19598,bmse000990,1
3,covalent,DOUB,O8,C5,,,,,19598,bmse000990,1
4,covalent,SING,N6,C4,,,,,19598,bmse000990,1
5,covalent,SING,N6,H17,,,,,19598,bmse000990,1
6,covalent,SING,N6,H18,,,,,19598,bmse000990,1
7,covalent,SING,C1,C2,,,,,19598,bmse000990,1
8,covalent,SING,C1,C3,,,,,19598,bmse000990,1
9,covalent,SING,C1,H9,,,,,19598,bmse000990,1
10,covalent,SING,C1,H10,,,,,19598,bmse000990,1
11,covalent,SING,C2,C4,,,,,19598,bmse000990,1
12,covalent,SING,C2,H11,,,,,19598,bmse000990,1
13,covalent,SING,C2,H12,,,,,19598,bmse000990,1
14,covalent,SING,C3,C5,,,,,19598,bmse000990,1
15,covalent,SING,C3,H13,,,,,19598,bmse000990,1
16,covalent,SING,C3,H14,,,,,19598,bmse000990,1
17,covalent,SING,C4,H15,,,,,19598,bmse000990,1
18,covalent,SING,C4,H16,,,,,19598,bmse000990,1
1,covalent,DOUB,C2,N12,,,,,19613,bmse000991,1
2,covalent,SING,C2,N13,,,,,19613,bmse000991,1
3,covalent,SING,C2,H30,,,,,19613,bmse000991,1
4,covalent,DOUB,C3,N14,,,,,19613,bmse000991,1
5,covalent,SING,C3,N15,,,,,19613,bmse000991,1
6,covalent,SING,C3,H31,,,,,19613,bmse000991,1
7,covalent,SING,C4,C1,,,,,19613,bmse000991,1
8,covalent,SING,C1,O23,,,,,19613,bmse000991,1
9,covalent,SING,C1,H28,,,,,19613,bmse000991,1
10,covalent,SING,C1,H29,,,,,19613,bmse000991,1
11,covalent,DOUB,C5,C8,,,,,19613,bmse000991,1
12,covalent,SING,C5,C9,,,,,19613,bmse000991,1
13,covalent,SING,C5,N14,,,,,19613,bmse000991,1
14,covalent,SING,C8,N11,,,,,19613,bmse000991,1
15,covalent,SING,C8,N12,,,,,19613,bmse000991,1
16,covalent,DOUB,C9,N13,,,,,19613,bmse000991,1
17,covalent,SING,C9,N15,,,,,19613,bmse000991,1
18,covalent,SING,C4,C6,,,,,19613,bmse000991,1
19,covalent,SING,C4,O24,,,,,19613,bmse000991,1
20,covalent,SING,C4,H32,,,,,19613,bmse000991,1
21,covalent,SING,C6,C7,,,,,19613,bmse000991,1
22,covalent,SING,C6,O16,,,,,19613,bmse000991,1
23,covalent,SING,C6,H33,,,,,19613,bmse000991,1
24,covalent,SING,C7,C10,,,,,19613,bmse000991,1
25,covalent,SING,C7,O17,,,,,19613,bmse000991,1
26,covalent,SING,C7,H34,,,,,19613,bmse000991,1
27,covalent,SING,C10,N15,,,,,19613,bmse000991,1
28,covalent,SING,C10,O24,,,,,19613,bmse000991,1
29,covalent,SING,C10,H35,,,,,19613,bmse000991,1
30,covalent,SING,N11,H36,,,,,19613,bmse000991,1
31,covalent,SING,N11,H37,,,,,19613,bmse000991,1
32,covalent,SING,O16,H38,,,,,19613,bmse000991,1
33,covalent,SING,O17,H39,,,,,19613,bmse000991,1
34,covalent,SING,O18,P26,,,,,19613,bmse000991,1
35,covalent,SING,O18,H40,,,,,19613,bmse000991,1
36,covalent,SING,O19,P26,,,,,19613,bmse000991,1
37,covalent,SING,O19,H41,,,,,19613,bmse000991,1
38,covalent,SING,O21,P27,,,,,19613,bmse000991,1
39,covalent,SING,O21,H42,,,,,19613,bmse000991,1
40,covalent,DOUB,O20,P26,,,,,19613,bmse000991,1
41,covalent,DOUB,O22,P27,,,,,19613,bmse000991,1
42,covalent,SING,O23,P27,,,,,19613,bmse000991,1
43,covalent,SING,O25,P26,,,,,19613,bmse000991,1
44,covalent,SING,O25,P27,,,,,19613,bmse000991,1
1,covalent,DOUB,C2,N12,,,,,19627,bmse000992,1
2,covalent,SING,C2,N13,,,,,19627,bmse000992,1
3,covalent,SING,C2,H26,,,,,19627,bmse000992,1
4,covalent,DOUB,C3,N14,,,,,19627,bmse000992,1
5,covalent,SING,C3,N15,,,,,19627,bmse000992,1
6,covalent,SING,C3,H27,,,,,19627,bmse000992,1
7,covalent,SING,C4,C1,,,,,19627,bmse000992,1
8,covalent,SING,C1,O21,,,,,19627,bmse000992,1
9,covalent,SING,C1,H24,,,,,19627,bmse000992,1
10,covalent,SING,C1,H25,,,,,19627,bmse000992,1
11,covalent,DOUB,C5,C8,,,,,19627,bmse000992,1
12,covalent,SING,C5,C9,,,,,19627,bmse000992,1
13,covalent,SING,C5,N14,,,,,19627,bmse000992,1
14,covalent,SING,C8,N11,,,,,19627,bmse000992,1
15,covalent,SING,C8,N12,,,,,19627,bmse000992,1
16,covalent,DOUB,C9,N13,,,,,19627,bmse000992,1
17,covalent,SING,C9,N15,,,,,19627,bmse000992,1
18,covalent,SING,C4,C6,,,,,19627,bmse000992,1
19,covalent,SING,C4,O22,,,,,19627,bmse000992,1
20,covalent,SING,C4,H28,,,,,19627,bmse000992,1
21,covalent,SING,C6,C7,,,,,19627,bmse000992,1
22,covalent,SING,C6,O16,,,,,19627,bmse000992,1
23,covalent,SING,C6,H29,,,,,19627,bmse000992,1
24,covalent,SING,C7,C10,,,,,19627,bmse000992,1
25,covalent,SING,C7,O17,,,,,19627,bmse000992,1
26,covalent,SING,C7,H30,,,,,19627,bmse000992,1
27,covalent,SING,C10,N15,,,,,19627,bmse000992,1
28,covalent,SING,C10,O22,,,,,19627,bmse000992,1
29,covalent,SING,C10,H31,,,,,19627,bmse000992,1
30,covalent,SING,N11,H32,,,,,19627,bmse000992,1
31,covalent,SING,N11,H33,,,,,19627,bmse000992,1
32,covalent,SING,O16,H34,,,,,19627,bmse000992,1
33,covalent,SING,O17,H35,,,,,19627,bmse000992,1
34,covalent,SING,O18,P23,,,,,19627,bmse000992,1
35,covalent,SING,O18,H36,,,,,19627,bmse000992,1
36,covalent,SING,O19,P23,,,,,19627,bmse000992,1
37,covalent,SING,O19,H37,,,,,19627,bmse000992,1
38,covalent,DOUB,O20,P23,,,,,19627,bmse000992,1
39,covalent,SING,O21,P23,,,,,19627,bmse000992,1
1,covalent,DOUB,C2,N12,,,,,19641,bmse000993,1
2,covalent,SING,C2,N13,,,,,19641,bmse000993,1
3,covalent,SING,C2,H34,,,,,19641,bmse000993,1
4,covalent,DOUB,C3,N14,,,,,19641,bmse000993,1
5,covalent,SING,C3,N15,,,,,19641,bmse000993,1
6,covalent,SING,C3,H35,,,,,19641,bmse000993,1
7,covalent,SING,C4,C1,,,,,19641,bmse000993,1
8,covalent,SING,C1,O25,,,,,19641,bmse000993,1
9,covalent,SING,C1,H32,,,,,19641,bmse000993,1
10,covalent,SING,C1,H33,,,,,19641,bmse000993,1
11,covalent,DOUB,C5,C8,,,,,19641,bmse000993,1
12,covalent,SING,C5,C9,,,,,19641,bmse000993,1
13,covalent,SING,C5,N14,,,,,19641,bmse000993,1
14,covalent,SING,C8,N11,,,,,19641,bmse000993,1
15,covalent,SING,C8,N12,,,,,19641,bmse000993,1
16,covalent,DOUB,C9,N13,,,,,19641,bmse000993,1
17,covalent,SING,C9,N15,,,,,19641,bmse000993,1
18,covalent,SING,C4,C6,,,,,19641,bmse000993,1
19,covalent,SING,C4,O26,,,,,19641,bmse000993,1
20,covalent,SING,C4,H36,,,,,19641,bmse000993,1
21,covalent,SING,C6,C7,,,,,19641,bmse000993,1
22,covalent,SING,C6,O16,,,,,19641,bmse000993,1
23,covalent,SING,C6,H37,,,,,19641,bmse000993,1
24,covalent,SING,C7,C10,,,,,19641,bmse000993,1
25,covalent,SING,C7,O17,,,,,19641,bmse000993,1
26,covalent,SING,C7,H38,,,,,19641,bmse000993,1
27,covalent,SING,C10,N15,,,,,19641,bmse000993,1
28,covalent,SING,C10,O26,,,,,19641,bmse000993,1
29,covalent,SING,C10,H39,,,,,19641,bmse000993,1
30,covalent,SING,N11,H40,,,,,19641,bmse000993,1
31,covalent,SING,N11,H41,,,,,19641,bmse000993,1
32,covalent,SING,O16,H42,,,,,19641,bmse000993,1
33,covalent,SING,O17,H43,,,,,19641,bmse000993,1
34,covalent,SING,O18,P29,,,,,19641,bmse000993,1
35,covalent,SING,O18,H44,,,,,19641,bmse000993,1
36,covalent,SING,O19,P29,,,,,19641,bmse000993,1
37,covalent,SING,O19,H45,,,,,19641,bmse000993,1
38,covalent,SING,O21,P30,,,,,19641,bmse000993,1
39,covalent,SING,O21,H46,,,,,19641,bmse000993,1
40,covalent,SING,O23,P31,,,,,19641,bmse000993,1
41,covalent,SING,O23,H47,,,,,19641,bmse000993,1
42,covalent,DOUB,O20,P29,,,,,19641,bmse000993,1
43,covalent,DOUB,O22,P30,,,,,19641,bmse000993,1
44,covalent,DOUB,O24,P31,,,,,19641,bmse000993,1
45,covalent,SING,O25,P30,,,,,19641,bmse000993,1
46,covalent,SING,O27,P29,,,,,19641,bmse000993,1
47,covalent,SING,O27,P31,,,,,19641,bmse000993,1
48,covalent,SING,O28,P30,,,,,19641,bmse000993,1
49,covalent,SING,O28,P31,,,,,19641,bmse000993,1
1,covalent,SING,C2,N4,,,,,19655,bmse000994,1
2,covalent,SING,N4,H11,,,,,19655,bmse000994,1
3,covalent,SING,N4,H12,,,,,19655,bmse000994,1
4,covalent,SING,C2,C3,,,,,19655,bmse000994,1
5,covalent,SING,C2,C1,,,,,19655,bmse000994,1
6,covalent,SING,C2,H10,,,,,19655,bmse000994,1
7,covalent,DOUB,C3,O5,,,,,19655,bmse000994,1
8,covalent,SING,C3,O6,,,,,19655,bmse000994,1
9,covalent,SING,C1,H9,,,,,19655,bmse000994,1
10,covalent,SING,C1,H8,,,,,19655,bmse000994,1
11,covalent,SING,C1,H7,,,,,19655,bmse000994,1
12,covalent,SING,O6,H13,,,,,19655,bmse000994,1
1,covalent,SING,C1,N7,,,,,19669,bmse000995,1
2,covalent,DOUB,C1,N9,,,,,19669,bmse000995,1
3,covalent,SING,C1,H11,,,,,19669,bmse000995,1
4,covalent,DOUB,C2,N8,,,,,19669,bmse000995,1
5,covalent,SING,C2,N10,,,,,19669,bmse000995,1
6,covalent,SING,C2,H12,,,,,19669,bmse000995,1
7,covalent,DOUB,C3,C4,,,,,19669,bmse000995,1
8,covalent,SING,C3,C5,,,,,19669,bmse000995,1
9,covalent,SING,C3,N7,,,,,19669,bmse000995,1
10,covalent,SING,C4,N6,,,,,19669,bmse000995,1
11,covalent,SING,C4,N8,,,,,19669,bmse000995,1
12,covalent,SING,C5,N9,,,,,19669,bmse000995,1
13,covalent,DOUB,C5,N10,,,,,19669,bmse000995,1
14,covalent,SING,N6,H13,,,,,19669,bmse000995,1
15,covalent,SING,N6,H14,,,,,19669,bmse000995,1
16,covalent,SING,N7,H15,,,,,19669,bmse000995,1
1,covalent,DOUB,C2,N12,,,,,19683,bmse000996,1
2,covalent,SING,C2,N13,,,,,19683,bmse000996,1
3,covalent,SING,C2,H22,,,,,19683,bmse000996,1
4,covalent,DOUB,C3,N14,,,,,19683,bmse000996,1
5,covalent,SING,C3,N15,,,,,19683,bmse000996,1
6,covalent,SING,C3,H23,,,,,19683,bmse000996,1
7,covalent,SING,C4,C1,,,,,19683,bmse000996,1
8,covalent,SING,C1,O16,,,,,19683,bmse000996,1
9,covalent,SING,C1,H20,,,,,19683,bmse000996,1
10,covalent,SING,C1,H21,,,,,19683,bmse000996,1
11,covalent,DOUB,C5,C8,,,,,19683,bmse000996,1
12,covalent,SING,C5,C9,,,,,19683,bmse000996,1
13,covalent,SING,C5,N14,,,,,19683,bmse000996,1
14,covalent,SING,C8,N11,,,,,19683,bmse000996,1
15,covalent,SING,C8,N12,,,,,19683,bmse000996,1
16,covalent,DOUB,C9,N13,,,,,19683,bmse000996,1
17,covalent,SING,C9,N15,,,,,19683,bmse000996,1
18,covalent,SING,C4,C6,,,,,19683,bmse000996,1
19,covalent,SING,C4,O19,,,,,19683,bmse000996,1
20,covalent,SING,C4,H24,,,,,19683,bmse000996,1
21,covalent,SING,C6,C7,,,,,19683,bmse000996,1
22,covalent,SING,C6,O17,,,,,19683,bmse000996,1
23,covalent,SING,C6,H25,,,,,19683,bmse000996,1
24,covalent,SING,C7,C10,,,,,19683,bmse000996,1
25,covalent,SING,C7,O18,,,,,19683,bmse000996,1
26,covalent,SING,C7,H26,,,,,19683,bmse000996,1
27,covalent,SING,C10,N15,,,,,19683,bmse000996,1
28,covalent,SING,C10,O19,,,,,19683,bmse000996,1
29,covalent,SING,C10,H27,,,,,19683,bmse000996,1
30,covalent,SING,N11,H28,,,,,19683,bmse000996,1
31,covalent,SING,N11,H29,,,,,19683,bmse000996,1
32,covalent,SING,O16,H30,,,,,19683,bmse000996,1
33,covalent,SING,O17,H31,,,,,19683,bmse000996,1
34,covalent,SING,O18,H32,,,,,19683,bmse000996,1
1,covalent,SING,C1,N6,,,,,19697,bmse000997,1
2,covalent,SING,C1,H9,,,,,19697,bmse000997,1
3,covalent,SING,C1,H10,,,,,19697,bmse000997,1
4,covalent,SING,C1,H11,,,,,19697,bmse000997,1
5,covalent,SING,N6,C4,,,,,19697,bmse000997,1
6,covalent,SING,N6,C2,,,,,19697,bmse000997,1
7,covalent,SING,N6,C3,,,,,19697,bmse000997,1
8,covalent,SING,C4,C5,,,,,19697,bmse000997,1
9,covalent,SING,C4,H18,,,,,19697,bmse000997,1
10,covalent,SING,C4,H19,,,,,19697,bmse000997,1
11,covalent,DOUB,C5,O7,,,,,19697,bmse000997,1
12,covalent,SING,C5,O8,,,,,19697,bmse000997,1
13,covalent,SING,C2,H13,,,,,19697,bmse000997,1
14,covalent,SING,C2,H12,,,,,19697,bmse000997,1
15,covalent,SING,C2,H14,,,,,19697,bmse000997,1
16,covalent,SING,C3,H15,,,,,19697,bmse000997,1
17,covalent,SING,C3,H16,,,,,19697,bmse000997,1
18,covalent,SING,C3,H17,,,,,19697,bmse000997,1
1,covalent,SING,C8,C4,,,,,19711,bmse000998,1
2,covalent,SING,C8,C7,,,,,19711,bmse000998,1
3,covalent,SING,C8,O16,,,,,19711,bmse000998,1
4,covalent,SING,C8,H23,,,,,19711,bmse000998,1
5,covalent,DOUB,C4,C6,,,,,19711,bmse000998,1
6,covalent,SING,C4,H21,,,,,19711,bmse000998,1
7,covalent,SING,C7,C3,,,,,19711,bmse000998,1
8,covalent,SING,C7,O11,,,,,19711,bmse000998,1
9,covalent,SING,C7,H22,,,,,19711,bmse000998,1
10,covalent,SING,O16,C5,,,,,19711,bmse000998,1
11,covalent,SING,C6,C2,,,,,19711,bmse000998,1
12,covalent,SING,C6,C10,,,,,19711,bmse000998,1
13,covalent,DOUB,C3,C2,,,,,19711,bmse000998,1
14,covalent,SING,C3,H20,,,,,19711,bmse000998,1
15,covalent,SING,O11,H24,,,,,19711,bmse000998,1
16,covalent,SING,C5,C9,,,,,19711,bmse000998,1
17,covalent,DOUB,C5,C1,,,,,19711,bmse000998,1
18,covalent,SING,C2,H19,,,,,19711,bmse000998,1
19,covalent,SING,C10,O14,,,,,19711,bmse000998,1
20,covalent,DOUB,C10,O15,,,,,19711,bmse000998,1
21,covalent,SING,C9,O12,,,,,19711,bmse000998,1
22,covalent,DOUB,C9,O13,,,,,19711,bmse000998,1
23,covalent,SING,C1,H17,,,,,19711,bmse000998,1
24,covalent,SING,C1,H18,,,,,19711,bmse000998,1
25,covalent,SING,O14,H26,,,,,19711,bmse000998,1
26,covalent,SING,O12,H25,,,,,19711,bmse000998,1
1,covalent,SING,C4,N7,,,,,19725,bmse000999,1
2,covalent,DOUB,C4,N5,,,,,19725,bmse000999,1
3,covalent,SING,C4,N6,,,,,19725,bmse000999,1
4,covalent,SING,N7,C2,,,,,19725,bmse000999,1
5,covalent,SING,N7,C1,,,,,19725,bmse000999,1
6,covalent,SING,N5,H15,,,,,19725,bmse000999,1
7,covalent,SING,C3,C2,,,,,19725,bmse000999,1
8,covalent,DOUB,C3,O8,,,,,19725,bmse000999,1
9,covalent,SING,C3,O9,,,,,19725,bmse000999,1
10,covalent,SING,C2,H13,,,,,19725,bmse000999,1
11,covalent,SING,C2,H14,,,,,19725,bmse000999,1
12,covalent,SING,N6,H16,,,,,19725,bmse000999,1
13,covalent,SING,N6,H17,,,,,19725,bmse000999,1
14,covalent,SING,O9,H18,,,,,19725,bmse000999,1
15,covalent,SING,C1,H10,,,,,19725,bmse000999,1
16,covalent,SING,C1,H11,,,,,19725,bmse000999,1
17,covalent,SING,C1,H12,,,,,19725,bmse000999,1
1,covalent,SING,C1,C4,,,,,19739,bmse001000,1
2,covalent,SING,C1,H16,,,,,19739,bmse001000,1
3,covalent,SING,C1,H14,,,,,19739,bmse001000,1
4,covalent,SING,C1,H15,,,,,19739,bmse001000,1
5,covalent,DOUB,C4,O10,,,,,19739,bmse001000,1
6,covalent,SING,C4,N9,,,,,19739,bmse001000,1
7,covalent,SING,N9,C5,,,,,19739,bmse001000,1
8,covalent,SING,N9,H24,,,,,19739,bmse001000,1
9,covalent,SING,C5,C2,,,,,19739,bmse001000,1
10,covalent,SING,C5,C7,,,,,19739,bmse001000,1
11,covalent,SING,C5,H21,,,,,19739,bmse001000,1
12,covalent,SING,C2,C3,,,,,19739,bmse001000,1
13,covalent,SING,C2,H17,,,,,19739,bmse001000,1
14,covalent,SING,C2,H18,,,,,19739,bmse001000,1
15,covalent,SING,C3,C6,,,,,19739,bmse001000,1
16,covalent,SING,C3,H19,,,,,19739,bmse001000,1
17,covalent,SING,C3,H20,,,,,19739,bmse001000,1
18,covalent,DOUB,C6,O11,,,,,19739,bmse001000,1
19,covalent,SING,C6,N8,,,,,19739,bmse001000,1
20,covalent,SING,N8,H22,,,,,19739,bmse001000,1
21,covalent,SING,N8,H23,,,,,19739,bmse001000,1
22,covalent,DOUB,C7,O12,,,,,19739,bmse001000,1
23,covalent,SING,C7,O13,,,,,19739,bmse001000,1
24,covalent,SING,O13,H25,,,,,19739,bmse001000,1
1,covalent,SING,C1,N7,,,,,19753,bmse001001,1
2,covalent,SING,C1,H9,,,,,19753,bmse001001,1
3,covalent,SING,C1,H11,,,,,19753,bmse001001,1
4,covalent,SING,C1,H10,,,,,19753,bmse001001,1
5,covalent,SING,C2,C3,,,,,19753,bmse001001,1
6,covalent,SING,C2,N7,,,,,19753,bmse001001,1
7,covalent,SING,C2,H12,,,,,19753,bmse001001,1
8,covalent,SING,C2,H13,,,,,19753,bmse001001,1
9,covalent,SING,C3,N6,,,,,19753,bmse001001,1
10,covalent,DOUB,C3,O8,,,,,19753,bmse001001,1
11,covalent,SING,C4,N5,,,,,19753,bmse001001,1
12,covalent,DOUB,C4,N6,,,,,19753,bmse001001,1
13,covalent,SING,C4,N7,,,,,19753,bmse001001,1
14,covalent,SING,N5,H14,,,,,19753,bmse001001,1
15,covalent,SING,N5,H15,,,,,19753,bmse001001,1
1,covalent,DOUB,C4,C6,,,,,19767,bmse001002,1
2,covalent,SING,C4,N11,,,,,19767,bmse001002,1
3,covalent,SING,C4,H23,,,,,19767,bmse001002,1
4,covalent,SING,C5,N12,,,,,19767,bmse001002,1
5,covalent,DOUB,C5,N11,,,,,19767,bmse001002,1
6,covalent,SING,C5,H24,,,,,19767,bmse001002,1
7,covalent,SING,C1,C2,,,,,19767,bmse001002,1
8,covalent,SING,C1,C8,,,,,19767,bmse001002,1
9,covalent,SING,C1,H17,,,,,19767,bmse001002,1
10,covalent,SING,C1,H18,,,,,19767,bmse001002,1
11,covalent,SING,C2,N10,,,,,19767,bmse001002,1
12,covalent,SING,C2,H19,,,,,19767,bmse001002,1
13,covalent,SING,C2,H20,,,,,19767,bmse001002,1
14,covalent,SING,C3,C6,,,,,19767,bmse001002,1
15,covalent,SING,C3,C7,,,,,19767,bmse001002,1
16,covalent,SING,C3,H21,,,,,19767,bmse001002,1
17,covalent,SING,C3,H22,,,,,19767,bmse001002,1
18,covalent,SING,C6,N12,,,,,19767,bmse001002,1
19,covalent,SING,C7,C9,,,,,19767,bmse001002,1
20,covalent,SING,C7,N13,,,,,19767,bmse001002,1
21,covalent,SING,C7,H25,,,,,19767,bmse001002,1
22,covalent,SING,C8,N13,,,,,19767,bmse001002,1
23,covalent,DOUB,C8,O14,,,,,19767,bmse001002,1
24,covalent,SING,C9,O15,,,,,19767,bmse001002,1
25,covalent,DOUB,C9,O16,,,,,19767,bmse001002,1
26,covalent,SING,N10,H26,,,,,19767,bmse001002,1
27,covalent,SING,N10,H27,,,,,19767,bmse001002,1
28,covalent,SING,N12,H28,,,,,19767,bmse001002,1
29,covalent,SING,N13,H29,,,,,19767,bmse001002,1
30,covalent,SING,O15,H30,,,,,19767,bmse001002,1
1,covalent,SING,O7,C5,,,,,19781,bmse001003,1
2,covalent,SING,O7,H21,,,,,19781,bmse001003,1
3,covalent,SING,N6,C4,,,,,19781,bmse001003,1
4,covalent,SING,N6,C1,,,,,19781,bmse001003,1
5,covalent,SING,N6,C2,,,,,19781,bmse001003,1
6,covalent,SING,N6,C3,,,,,19781,bmse001003,1
7,covalent,SING,C5,C4,,,,,19781,bmse001003,1
8,covalent,SING,C5,H19,,,,,19781,bmse001003,1
9,covalent,SING,C5,H20,,,,,19781,bmse001003,1
10,covalent,SING,C4,H17,,,,,19781,bmse001003,1
11,covalent,SING,C4,H18,,,,,19781,bmse001003,1
12,covalent,SING,C1,H8,,,,,19781,bmse001003,1
13,covalent,SING,C1,H9,,,,,19781,bmse001003,1
14,covalent,SING,C1,H10,,,,,19781,bmse001003,1
15,covalent,SING,C2,H12,,,,,19781,bmse001003,1
16,covalent,SING,C2,H11,,,,,19781,bmse001003,1
17,covalent,SING,C2,H13,,,,,19781,bmse001003,1
18,covalent,SING,C3,H14,,,,,19781,bmse001003,1
19,covalent,SING,C3,H15,,,,,19781,bmse001003,1
20,covalent,SING,C3,H16,,,,,19781,bmse001003,1
1,covalent,SING,O16,C10,,,,,19795,bmse001004,1
2,covalent,SING,O16,H33,,,,,19795,bmse001004,1
3,covalent,DOUB,O17,C10,,,,,19795,bmse001004,1
4,covalent,DOUB,O15,C9,,,,,19795,bmse001004,1
5,covalent,SING,N13,C8,,,,,19795,bmse001004,1
6,covalent,SING,N13,C9,,,,,19795,bmse001004,1
7,covalent,SING,N13,H32,,,,,19795,bmse001004,1
8,covalent,SING,N14,C7,,,,,19795,bmse001004,1
9,covalent,SING,N14,C6,,,,,19795,bmse001004,1
10,covalent,SING,N14,C1,,,,,19795,bmse001004,1
11,covalent,SING,N12,C5,,,,,19795,bmse001004,1
12,covalent,DOUB,N12,C6,,,,,19795,bmse001004,1
13,covalent,SING,N11,C3,,,,,19795,bmse001004,1
14,covalent,SING,N11,H30,,,,,19795,bmse001004,1
15,covalent,SING,N11,H31,,,,,19795,bmse001004,1
16,covalent,SING,C8,C4,,,,,19795,bmse001004,1
17,covalent,SING,C8,C10,,,,,19795,bmse001004,1
18,covalent,SING,C8,H29,,,,,19795,bmse001004,1
19,covalent,SING,C4,C7,,,,,19795,bmse001004,1
20,covalent,SING,C4,H25,,,,,19795,bmse001004,1
21,covalent,SING,C4,H26,,,,,19795,bmse001004,1
22,covalent,DOUB,C7,C5,,,,,19795,bmse001004,1
23,covalent,SING,C9,C2,,,,,19795,bmse001004,1
24,covalent,SING,C5,H27,,,,,19795,bmse001004,1
25,covalent,SING,C2,C3,,,,,19795,bmse001004,1
26,covalent,SING,C2,H21,,,,,19795,bmse001004,1
27,covalent,SING,C2,H22,,,,,19795,bmse001004,1
28,covalent,SING,C6,H28,,,,,19795,bmse001004,1
29,covalent,SING,C1,H18,,,,,19795,bmse001004,1
30,covalent,SING,C1,H19,,,,,19795,bmse001004,1
31,covalent,SING,C1,H20,,,,,19795,bmse001004,1
32,covalent,SING,C3,H23,,,,,19795,bmse001004,1
33,covalent,SING,C3,H24,,,,,19795,bmse001004,1
1,covalent,SING,C6,C5,,,,,19809,bmse001005,1
2,covalent,SING,C6,O12,,,,,19809,bmse001005,1
3,covalent,SING,C6,C2,,,,,19809,bmse001005,1
4,covalent,SING,C6,O11,,,,,19809,bmse001005,1
5,covalent,SING,C5,C4,,,,,19809,bmse001005,1
6,covalent,SING,C5,O10,,,,,19809,bmse001005,1
7,covalent,SING,C5,H19,,,,,19809,bmse001005,1
8,covalent,SING,O12,C3,,,,,19809,bmse001005,1
9,covalent,SING,C2,O8,,,,,19809,bmse001005,1
10,covalent,SING,C2,H15,,,,,19809,bmse001005,1
11,covalent,SING,C2,H16,,,,,19809,bmse001005,1
12,covalent,SING,O11,H24,,,,,19809,bmse001005,1
13,covalent,SING,C4,C3,,,,,19809,bmse001005,1
14,covalent,SING,C4,O9,,,,,19809,bmse001005,1
15,covalent,SING,C4,H18,,,,,19809,bmse001005,1
16,covalent,SING,O10,H23,,,,,19809,bmse001005,1
17,covalent,SING,C3,C1,,,,,19809,bmse001005,1
18,covalent,SING,C3,H17,,,,,19809,bmse001005,1
19,covalent,SING,O8,H21,,,,,19809,bmse001005,1
20,covalent,SING,O9,H22,,,,,19809,bmse001005,1
21,covalent,SING,C1,O7,,,,,19809,bmse001005,1
22,covalent,SING,C1,H13,,,,,19809,bmse001005,1
23,covalent,SING,C1,H14,,,,,19809,bmse001005,1
24,covalent,SING,O7,H20,,,,,19809,bmse001005,1
1,covalent,SING,C6,C5,,,,,19824,bmse001006,1
2,covalent,SING,C6,O11,,,,,19824,bmse001006,1
3,covalent,SING,C6,O12,,,,,19824,bmse001006,1
4,covalent,SING,C6,H19,,,,,19824,bmse001006,1
5,covalent,SING,C5,C4,,,,,19824,bmse001006,1
6,covalent,SING,C5,O10,,,,,19824,bmse001006,1
7,covalent,SING,C5,H18,,,,,19824,bmse001006,1
8,covalent,SING,C4,C3,,,,,19824,bmse001006,1
9,covalent,SING,C4,O9,,,,,19824,bmse001006,1
10,covalent,SING,C4,H17,,,,,19824,bmse001006,1
11,covalent,SING,C3,C2,,,,,19824,bmse001006,1
12,covalent,SING,C3,O8,,,,,19824,bmse001006,1
13,covalent,SING,C3,H16,,,,,19824,bmse001006,1
14,covalent,SING,C2,C1,,,,,19824,bmse001006,1
15,covalent,SING,C2,O12,,,,,19824,bmse001006,1
16,covalent,SING,C2,H15,,,,,19824,bmse001006,1
17,covalent,SING,C1,O7,,,,,19824,bmse001006,1
18,covalent,SING,C1,H13,,,,,19824,bmse001006,1
19,covalent,SING,C1,H14,,,,,19824,bmse001006,1
20,covalent,SING,O11,H24,,,,,19824,bmse001006,1
21,covalent,SING,O10,H23,,,,,19824,bmse001006,1
22,covalent,SING,O9,H22,,,,,19824,bmse001006,1
23,covalent,SING,O8,H21,,,,,19824,bmse001006,1
24,covalent,SING,O7,H20,,,,,19824,bmse001006,1
1,covalent,SING,C2,C4,,,,,19839,bmse001007,1
2,covalent,SING,C2,O8,,,,,19839,bmse001007,1
3,covalent,SING,C2,H15,,,,,19839,bmse001007,1
4,covalent,SING,C2,H16,,,,,19839,bmse001007,1
5,covalent,SING,C4,C6,,,,,19839,bmse001007,1
6,covalent,SING,C4,O10,,,,,19839,bmse001007,1
7,covalent,SING,C4,H18,,,,,19839,bmse001007,1
8,covalent,SING,C6,C5,,,,,19839,bmse001007,1
9,covalent,SING,C6,O12,,,,,19839,bmse001007,1
10,covalent,SING,C6,H20,,,,,19839,bmse001007,1
11,covalent,SING,C5,C3,,,,,19839,bmse001007,1
12,covalent,SING,C5,O11,,,,,19839,bmse001007,1
13,covalent,SING,C5,H19,,,,,19839,bmse001007,1
14,covalent,SING,C3,C1,,,,,19839,bmse001007,1
15,covalent,SING,C3,O9,,,,,19839,bmse001007,1
16,covalent,SING,C3,H17,,,,,19839,bmse001007,1
17,covalent,SING,C1,O7,,,,,19839,bmse001007,1
18,covalent,SING,C1,H13,,,,,19839,bmse001007,1
19,covalent,SING,C1,H14,,,,,19839,bmse001007,1
20,covalent,SING,O8,H22,,,,,19839,bmse001007,1
21,covalent,SING,O10,H24,,,,,19839,bmse001007,1
22,covalent,SING,O12,H26,,,,,19839,bmse001007,1
23,covalent,SING,O11,H25,,,,,19839,bmse001007,1
24,covalent,SING,O9,H23,,,,,19839,bmse001007,1
25,covalent,SING,O7,H21,,,,,19839,bmse001007,1
1,covalent,SING,C2,C3,,,,,19854,bmse001008,1
2,covalent,SING,C2,O12,,,,,19854,bmse001008,1
3,covalent,SING,C2,C1,,,,,19854,bmse001008,1
4,covalent,SING,C2,H15,,,,,19854,bmse001008,1
5,covalent,SING,C3,C4,,,,,19854,bmse001008,1
6,covalent,SING,C3,O8,,,,,19854,bmse001008,1
7,covalent,SING,C3,H16,,,,,19854,bmse001008,1
8,covalent,SING,O12,C6,,,,,19854,bmse001008,1
9,covalent,SING,C1,O7,,,,,19854,bmse001008,1
10,covalent,SING,C1,H13,,,,,19854,bmse001008,1
11,covalent,SING,C1,H14,,,,,19854,bmse001008,1
12,covalent,SING,C4,C5,,,,,19854,bmse001008,1
13,covalent,SING,C4,O9,,,,,19854,bmse001008,1
14,covalent,SING,C4,H17,,,,,19854,bmse001008,1
15,covalent,SING,O8,H21,,,,,19854,bmse001008,1
16,covalent,SING,C6,C5,,,,,19854,bmse001008,1
17,covalent,SING,C6,O11,,,,,19854,bmse001008,1
18,covalent,SING,C6,H19,,,,,19854,bmse001008,1
19,covalent,SING,O7,H20,,,,,19854,bmse001008,1
20,covalent,SING,C5,O10,,,,,19854,bmse001008,1
21,covalent,SING,C5,H18,,,,,19854,bmse001008,1
22,covalent,SING,O9,H22,,,,,19854,bmse001008,1
23,covalent,SING,O11,H24,,,,,19854,bmse001008,1
24,covalent,SING,O10,H23,,,,,19854,bmse001008,1
1,covalent,SING,C21,F22,,,,,19869,bmse001009,1
2,covalent,SING,C20,O27,,,,,19869,bmse001009,1
3,covalent,SING,O27,H56,,,,,19869,bmse001009,1
4,covalent,SING,C16,O25,,,,,19869,bmse001009,1
5,covalent,SING,O25,H55,,,,,19869,bmse001009,1
6,covalent,DOUB,O26,C17,,,,,19869,bmse001009,1
7,covalent,SING,O23,C11,,,,,19869,bmse001009,1
8,covalent,SING,O23,H54,,,,,19869,bmse001009,1
9,covalent,DOUB,O24,C13,,,,,19869,bmse001009,1
10,covalent,SING,C19,C14,,,,,19869,bmse001009,1
11,covalent,SING,C19,C20,,,,,19869,bmse001009,1
12,covalent,SING,C19,C10,,,,,19869,bmse001009,1
13,covalent,SING,C19,C2,,,,,19869,bmse001009,1
14,covalent,SING,C14,C15,,,,,19869,bmse001009,1
15,covalent,SING,C14,C6,,,,,19869,bmse001009,1
16,covalent,SING,C14,H51,,,,,19869,bmse001009,1
17,covalent,SING,C15,C21,,,,,19869,bmse001009,1
18,covalent,SING,C15,C4,,,,,19869,bmse001009,1
19,covalent,SING,C15,H52,,,,,19869,bmse001009,1
20,covalent,SING,C21,C18,,,,,19869,bmse001009,1
21,covalent,SING,C21,C16,,,,,19869,bmse001009,1
22,covalent,SING,C20,C8,,,,,19869,bmse001009,1
23,covalent,SING,C20,C17,,,,,19869,bmse001009,1
24,covalent,SING,C10,C16,,,,,19869,bmse001009,1
25,covalent,SING,C10,H47,,,,,19869,bmse001009,1
26,covalent,SING,C10,H48,,,,,19869,bmse001009,1
27,covalent,SING,C18,C12,,,,,19869,bmse001009,1
28,covalent,SING,C18,C7,,,,,19869,bmse001009,1
29,covalent,SING,C18,C1,,,,,19869,bmse001009,1
30,covalent,SING,C16,H53,,,,,19869,bmse001009,1
31,covalent,SING,C6,C8,,,,,19869,bmse001009,1
32,covalent,SING,C6,H40,,,,,19869,bmse001009,1
33,covalent,SING,C6,H41,,,,,19869,bmse001009,1
34,covalent,SING,C8,H44,,,,,19869,bmse001009,1
35,covalent,SING,C8,H45,,,,,19869,bmse001009,1
36,covalent,SING,C4,C3,,,,,19869,bmse001009,1
37,covalent,SING,C4,H36,,,,,19869,bmse001009,1
38,covalent,SING,C4,H37,,,,,19869,bmse001009,1
39,covalent,SING,C2,H31,,,,,19869,bmse001009,1
40,covalent,SING,C2,H33,,,,,19869,bmse001009,1
41,covalent,SING,C2,H32,,,,,19869,bmse001009,1
42,covalent,SING,C12,C3,,,,,19869,bmse001009,1
43,covalent,DOUB,C12,C9,,,,,19869,bmse001009,1
44,covalent,SING,C3,H34,,,,,19869,bmse001009,1
45,covalent,SING,C3,H35,,,,,19869,bmse001009,1
46,covalent,SING,C7,C5,,,,,19869,bmse001009,1
47,covalent,SING,C7,H42,,,,,19869,bmse001009,1
48,covalent,SING,C7,H43,,,,,19869,bmse001009,1
49,covalent,SING,C1,H28,,,,,19869,bmse001009,1
50,covalent,SING,C1,H30,,,,,19869,bmse001009,1
51,covalent,SING,C1,H29,,,,,19869,bmse001009,1
52,covalent,SING,C17,C11,,,,,19869,bmse001009,1
53,covalent,SING,C5,C13,,,,,19869,bmse001009,1
54,covalent,SING,C5,H38,,,,,19869,bmse001009,1
55,covalent,SING,C5,H39,,,,,19869,bmse001009,1
56,covalent,SING,C9,C13,,,,,19869,bmse001009,1
57,covalent,SING,C9,H46,,,,,19869,bmse001009,1
58,covalent,SING,C11,H49,,,,,19869,bmse001009,1
59,covalent,SING,C11,H50,,,,,19869,bmse001009,1
1,covalent,DOUB,O15,C8,,,,,19883,bmse001010,1
2,covalent,SING,N14,C12,,,,,19883,bmse001010,1
3,covalent,SING,N14,C11,,,,,19883,bmse001010,1
4,covalent,SING,N14,H27,,,,,19883,bmse001010,1
5,covalent,SING,N13,C5,,,,,19883,bmse001010,1
6,covalent,SING,N13,C7,,,,,19883,bmse001010,1
7,covalent,SING,N13,H26,,,,,19883,bmse001010,1
8,covalent,SING,C10,C4,,,,,19883,bmse001010,1
9,covalent,SING,C10,C12,,,,,19883,bmse001010,1
10,covalent,DOUB,C10,C9,,,,,19883,bmse001010,1
11,covalent,SING,C4,C5,,,,,19883,bmse001010,1
12,covalent,SING,C4,H21,,,,,19883,bmse001010,1
13,covalent,SING,C4,H22,,,,,19883,bmse001010,1
14,covalent,DOUB,C12,C7,,,,,19883,bmse001010,1
15,covalent,SING,C9,C11,,,,,19883,bmse001010,1
16,covalent,SING,C9,C3,,,,,19883,bmse001010,1
17,covalent,SING,C5,H23,,,,,19883,bmse001010,1
18,covalent,SING,C5,H24,,,,,19883,bmse001010,1
19,covalent,SING,C7,C1,,,,,19883,bmse001010,1
20,covalent,DOUB,C11,C6,,,,,19883,bmse001010,1
21,covalent,DOUB,C3,C2,,,,,19883,bmse001010,1
22,covalent,SING,C3,H20,,,,,19883,bmse001010,1
23,covalent,SING,C6,C8,,,,,19883,bmse001010,1
24,covalent,SING,C6,H25,,,,,19883,bmse001010,1
25,covalent,SING,C1,H16,,,,,19883,bmse001010,1
26,covalent,SING,C1,H17,,,,,19883,bmse001010,1
27,covalent,SING,C1,H18,,,,,19883,bmse001010,1
28,covalent,SING,C2,C8,,,,,19883,bmse001010,1
29,covalent,SING,C2,H19,,,,,19883,bmse001010,1
1,covalent,SING,O26,C4,,,,,19897,bmse001011,1
2,covalent,SING,O26,C6,,,,,19897,bmse001011,1
3,covalent,SING,O25,C3,,,,,19897,bmse001011,1
4,covalent,SING,O25,C5,,,,,19897,bmse001011,1
5,covalent,SING,O21,C13,,,,,19897,bmse001011,1
6,covalent,SING,O21,H49,,,,,19897,bmse001011,1
7,covalent,SING,O17,C11,,,,,19897,bmse001011,1
8,covalent,SING,O17,H47,,,,,19897,bmse001011,1
9,covalent,SING,O23,C14,,,,,19897,bmse001011,1
10,covalent,SING,O23,H50,,,,,19897,bmse001011,1
11,covalent,SING,O19,C12,,,,,19897,bmse001011,1
12,covalent,SING,O19,H48,,,,,19897,bmse001011,1
13,covalent,DOUB,O22,C13,,,,,19897,bmse001011,1
14,covalent,DOUB,O18,C11,,,,,19897,bmse001011,1
15,covalent,DOUB,O24,C14,,,,,19897,bmse001011,1
16,covalent,DOUB,O20,C12,,,,,19897,bmse001011,1
17,covalent,SING,N16,C2,,,,,19897,bmse001011,1
18,covalent,SING,N16,C9,,,,,19897,bmse001011,1
19,covalent,SING,N16,C10,,,,,19897,bmse001011,1
20,covalent,SING,N15,C1,,,,,19897,bmse001011,1
21,covalent,SING,N15,C7,,,,,19897,bmse001011,1
22,covalent,SING,N15,C8,,,,,19897,bmse001011,1
23,covalent,SING,C1,C3,,,,,19897,bmse001011,1
24,covalent,SING,C1,H27,,,,,19897,bmse001011,1
25,covalent,SING,C1,H28,,,,,19897,bmse001011,1
26,covalent,SING,C2,C4,,,,,19897,bmse001011,1
27,covalent,SING,C2,H29,,,,,19897,bmse001011,1
28,covalent,SING,C2,H30,,,,,19897,bmse001011,1
29,covalent,SING,C4,H33,,,,,19897,bmse001011,1
30,covalent,SING,C4,H34,,,,,19897,bmse001011,1
31,covalent,SING,C3,H31,,,,,19897,bmse001011,1
32,covalent,SING,C3,H32,,,,,19897,bmse001011,1
33,covalent,SING,C9,C13,,,,,19897,bmse001011,1
34,covalent,SING,C9,H43,,,,,19897,bmse001011,1
35,covalent,SING,C9,H44,,,,,19897,bmse001011,1
36,covalent,SING,C7,C11,,,,,19897,bmse001011,1
37,covalent,SING,C7,H39,,,,,19897,bmse001011,1
38,covalent,SING,C7,H40,,,,,19897,bmse001011,1
39,covalent,SING,C10,C14,,,,,19897,bmse001011,1
40,covalent,SING,C10,H45,,,,,19897,bmse001011,1
41,covalent,SING,C10,H46,,,,,19897,bmse001011,1
42,covalent,SING,C8,C12,,,,,19897,bmse001011,1
43,covalent,SING,C8,H41,,,,,19897,bmse001011,1
44,covalent,SING,C8,H42,,,,,19897,bmse001011,1
45,covalent,SING,C5,C6,,,,,19897,bmse001011,1
46,covalent,SING,C5,H35,,,,,19897,bmse001011,1
47,covalent,SING,C5,H36,,,,,19897,bmse001011,1
48,covalent,SING,C6,H37,,,,,19897,bmse001011,1
49,covalent,SING,C6,H38,,,,,19897,bmse001011,1
1,covalent,SING,C6,C5,,,,,19910,bmse001012,1
2,covalent,SING,C6,O12,,,,,19910,bmse001012,1
3,covalent,SING,C6,C2,,,,,19910,bmse001012,1
4,covalent,SING,C6,O11,,,,,19910,bmse001012,1
5,covalent,SING,C5,C4,,,,,19910,bmse001012,1
6,covalent,SING,C5,O10,,,,,19910,bmse001012,1
7,covalent,SING,C5,H19,,,,,19910,bmse001012,1
8,covalent,SING,O12,C3,,,,,19910,bmse001012,1
9,covalent,SING,C2,O8,,,,,19910,bmse001012,1
10,covalent,SING,C2,H15,,,,,19910,bmse001012,1
11,covalent,SING,C2,H16,,,,,19910,bmse001012,1
12,covalent,SING,O11,H24,,,,,19910,bmse001012,1
13,covalent,SING,C4,C3,,,,,19910,bmse001012,1
14,covalent,SING,C4,O9,,,,,19910,bmse001012,1
15,covalent,SING,C4,H18,,,,,19910,bmse001012,1
16,covalent,SING,O10,H23,,,,,19910,bmse001012,1
17,covalent,SING,C3,C1,,,,,19910,bmse001012,1
18,covalent,SING,C3,H17,,,,,19910,bmse001012,1
19,covalent,SING,O8,H21,,,,,19910,bmse001012,1
20,covalent,SING,O9,H22,,,,,19910,bmse001012,1
21,covalent,SING,C1,O7,,,,,19910,bmse001012,1
22,covalent,SING,C1,H13,,,,,19910,bmse001012,1
23,covalent,SING,C1,H14,,,,,19910,bmse001012,1
24,covalent,SING,O7,H20,,,,,19910,bmse001012,1
1,covalent,DOUB,C5,O9,,,,,19924,bmse001013,1
2,covalent,SING,C5,C3,,,,,19924,bmse001013,1
3,covalent,SING,C5,O10,,,,,19924,bmse001013,1
4,covalent,DOUB,C4,O7,,,,,19924,bmse001013,1
5,covalent,SING,C4,C2,,,,,19924,bmse001013,1
6,covalent,SING,C4,O8,,,,,19924,bmse001013,1
7,covalent,SING,C3,C1,,,,,19924,bmse001013,1
8,covalent,SING,C3,N6,,,,,19924,bmse001013,1
9,covalent,SING,C3,H15,,,,,19924,bmse001013,1
10,covalent,SING,C1,C2,,,,,19924,bmse001013,1
11,covalent,SING,C1,H11,,,,,19924,bmse001013,1
12,covalent,SING,C1,H12,,,,,19924,bmse001013,1
13,covalent,SING,C2,H13,,,,,19924,bmse001013,1
14,covalent,SING,C2,H14,,,,,19924,bmse001013,1
15,covalent,SING,O10,H19,,,,,19924,bmse001013,1
16,covalent,SING,N6,H16,,,,,19924,bmse001013,1
17,covalent,SING,N6,H17,,,,,19924,bmse001013,1
18,covalent,SING,O8,H18,,,,,19924,bmse001013,1
1,covalent,SING,C3,N6,,,,,19938,bmse001014,1
2,covalent,SING,N6,H16,,,,,19938,bmse001014,1
3,covalent,SING,N6,H17,,,,,19938,bmse001014,1
4,covalent,SING,C3,C5,,,,,19938,bmse001014,1
5,covalent,SING,C3,C1,,,,,19938,bmse001014,1
6,covalent,SING,C3,H15,,,,,19938,bmse001014,1
7,covalent,DOUB,C5,O9,,,,,19938,bmse001014,1
8,covalent,SING,C5,O10,,,,,19938,bmse001014,1
9,covalent,SING,C1,C2,,,,,19938,bmse001014,1
10,covalent,SING,C1,H11,,,,,19938,bmse001014,1
11,covalent,SING,C1,H12,,,,,19938,bmse001014,1
12,covalent,SING,C2,C4,,,,,19938,bmse001014,1
13,covalent,SING,C2,H13,,,,,19938,bmse001014,1
14,covalent,SING,C2,H14,,,,,19938,bmse001014,1
15,covalent,DOUB,C4,O8,,,,,19938,bmse001014,1
16,covalent,SING,C4,N7,,,,,19938,bmse001014,1
17,covalent,SING,N7,H18,,,,,19938,bmse001014,1
18,covalent,SING,N7,H19,,,,,19938,bmse001014,1
19,covalent,SING,O10,H20,,,,,19938,bmse001014,1
1,covalent,DOUB,C2,C4,,,,,19952,bmse001015,1
2,covalent,SING,C2,N8,,,,,19952,bmse001015,1
3,covalent,SING,C2,H14,,,,,19952,bmse001015,1
4,covalent,SING,C3,N9,,,,,19952,bmse001015,1
5,covalent,DOUB,C3,N8,,,,,19952,bmse001015,1
6,covalent,SING,C3,H15,,,,,19952,bmse001015,1
7,covalent,SING,C1,C4,,,,,19952,bmse001015,1
8,covalent,SING,C1,C5,,,,,19952,bmse001015,1
9,covalent,SING,C1,H12,,,,,19952,bmse001015,1
10,covalent,SING,C1,H13,,,,,19952,bmse001015,1
11,covalent,SING,C4,N9,,,,,19952,bmse001015,1
12,covalent,SING,C5,C6,,,,,19952,bmse001015,1
13,covalent,SING,C5,N7,,,,,19952,bmse001015,1
14,covalent,SING,C5,H16,,,,,19952,bmse001015,1
15,covalent,SING,C6,O10,,,,,19952,bmse001015,1
16,covalent,DOUB,C6,O11,,,,,19952,bmse001015,1
17,covalent,SING,N7,H17,,,,,19952,bmse001015,1
18,covalent,SING,N7,H18,,,,,19952,bmse001015,1
19,covalent,SING,N9,H19,,,,,19952,bmse001015,1
20,covalent,SING,O10,H20,,,,,19952,bmse001015,1
1,covalent,DOUB,C1,C2,,,,,19966,bmse001016,1
2,covalent,SING,C1,C3,,,,,19966,bmse001016,1
3,covalent,SING,C1,H13,,,,,19966,bmse001016,1
4,covalent,SING,C2,C4,,,,,19966,bmse001016,1
5,covalent,SING,C2,H14,,,,,19966,bmse001016,1
6,covalent,DOUB,C3,C5,,,,,19966,bmse001016,1
7,covalent,SING,C3,H15,,,,,19966,bmse001016,1
8,covalent,DOUB,C4,C7,,,,,19966,bmse001016,1
9,covalent,SING,C4,H16,,,,,19966,bmse001016,1
10,covalent,SING,C5,C7,,,,,19966,bmse001016,1
11,covalent,SING,C5,H17,,,,,19966,bmse001016,1
12,covalent,SING,C6,C7,,,,,19966,bmse001016,1
13,covalent,SING,C6,C8,,,,,19966,bmse001016,1
14,covalent,SING,C6,H18,,,,,19966,bmse001016,1
15,covalent,SING,C6,H19,,,,,19966,bmse001016,1
16,covalent,SING,C8,C9,,,,,19966,bmse001016,1
17,covalent,SING,C8,N10,,,,,19966,bmse001016,1
18,covalent,SING,C8,H20,,,,,19966,bmse001016,1
19,covalent,SING,C9,O11,,,,,19966,bmse001016,1
20,covalent,DOUB,C9,O12,,,,,19966,bmse001016,1
21,covalent,SING,N10,H21,,,,,19966,bmse001016,1
22,covalent,SING,N10,H22,,,,,19966,bmse001016,1
23,covalent,SING,O11,H23,,,,,19966,bmse001016,1
1,covalent,DOUB,C1,C2,,,,,19980,bmse001017,1
2,covalent,SING,C1,C3,,,,,19980,bmse001017,1
3,covalent,SING,C1,H16,,,,,19980,bmse001017,1
4,covalent,SING,C2,C4,,,,,19980,bmse001017,1
5,covalent,SING,C2,H17,,,,,19980,bmse001017,1
6,covalent,DOUB,C3,C8,,,,,19980,bmse001017,1
7,covalent,SING,C3,H18,,,,,19980,bmse001017,1
8,covalent,DOUB,C4,C10,,,,,19980,bmse001017,1
9,covalent,SING,C4,H19,,,,,19980,bmse001017,1
10,covalent,DOUB,C6,C7,,,,,19980,bmse001017,1
11,covalent,SING,C6,N13,,,,,19980,bmse001017,1
12,covalent,SING,C6,H22,,,,,19980,bmse001017,1
13,covalent,SING,C5,C7,,,,,19980,bmse001017,1
14,covalent,SING,C5,C9,,,,,19980,bmse001017,1
15,covalent,SING,C5,H20,,,,,19980,bmse001017,1
16,covalent,SING,C5,H21,,,,,19980,bmse001017,1
17,covalent,SING,C8,C10,,,,,19980,bmse001017,1
18,covalent,SING,C8,C7,,,,,19980,bmse001017,1
19,covalent,SING,C10,N13,,,,,19980,bmse001017,1
20,covalent,SING,C9,C11,,,,,19980,bmse001017,1
21,covalent,SING,C9,N12,,,,,19980,bmse001017,1
22,covalent,SING,C9,H23,,,,,19980,bmse001017,1
23,covalent,SING,C11,O14,,,,,19980,bmse001017,1
24,covalent,DOUB,C11,O15,,,,,19980,bmse001017,1
25,covalent,SING,N12,H24,,,,,19980,bmse001017,1
26,covalent,SING,N12,H25,,,,,19980,bmse001017,1
27,covalent,SING,N13,H26,,,,,19980,bmse001017,1
28,covalent,SING,O14,H27,,,,,19980,bmse001017,1
1,covalent,SING,O20,C9,,,,,19994,bmse001018,1
2,covalent,SING,O20,C3,,,,,19994,bmse001018,1
3,covalent,SING,C6,O18,,,,,19994,bmse001018,1
4,covalent,SING,O18,H33,,,,,19994,bmse001018,1
5,covalent,SING,C5,O17,,,,,19994,bmse001018,1
6,covalent,SING,O17,H32,,,,,19994,bmse001018,1
7,covalent,SING,O16,C1,,,,,19994,bmse001018,1
8,covalent,SING,O16,H31,,,,,19994,bmse001018,1
9,covalent,DOUB,O19,C8,,,,,19994,bmse001018,1
10,covalent,SING,C9,N15,,,,,19994,bmse001018,1
11,covalent,SING,N15,C7,,,,,19994,bmse001018,1
12,covalent,SING,N15,C2,,,,,19994,bmse001018,1
13,covalent,SING,N13,C7,,,,,19994,bmse001018,1
14,covalent,SING,N13,C10,,,,,19994,bmse001018,1
15,covalent,SING,N13,H30,,,,,19994,bmse001018,1
16,covalent,DOUB,N12,C2,,,,,19994,bmse001018,1
17,covalent,SING,N12,C4,,,,,19994,bmse001018,1
18,covalent,SING,N14,C8,,,,,19994,bmse001018,1
19,covalent,DOUB,N14,C10,,,,,19994,bmse001018,1
20,covalent,SING,N11,C10,,,,,19994,bmse001018,1
21,covalent,SING,N11,H28,,,,,19994,bmse001018,1
22,covalent,SING,N11,H29,,,,,19994,bmse001018,1
23,covalent,SING,C9,C6,,,,,19994,bmse001018,1
24,covalent,SING,C9,H27,,,,,19994,bmse001018,1
25,covalent,SING,C6,C5,,,,,19994,bmse001018,1
26,covalent,SING,C6,H26,,,,,19994,bmse001018,1
27,covalent,SING,C5,C3,,,,,19994,bmse001018,1
28,covalent,SING,C5,H25,,,,,19994,bmse001018,1
29,covalent,SING,C3,C1,,,,,19994,bmse001018,1
30,covalent,SING,C3,H24,,,,,19994,bmse001018,1
31,covalent,SING,C1,H21,,,,,19994,bmse001018,1
32,covalent,SING,C1,H22,,,,,19994,bmse001018,1
33,covalent,DOUB,C7,C4,,,,,19994,bmse001018,1
34,covalent,SING,C2,H23,,,,,19994,bmse001018,1
35,covalent,SING,C4,C8,,,,,19994,bmse001018,1
1,covalent,SING,C3,C1,,,,,20008,bmse001019,1
2,covalent,DOUB,C3,O5,,,,,20008,bmse001019,1
3,covalent,SING,C3,O6,,,,,20008,bmse001019,1
4,covalent,SING,C1,C2,,,,,20008,bmse001019,1
5,covalent,SING,C1,H7,,,,,20008,bmse001019,1
6,covalent,SING,C1,H8,,,,,20008,bmse001019,1
7,covalent,SING,O6,H13,,,,,20008,bmse001019,1
8,covalent,SING,N4,C2,,,,,20008,bmse001019,1
9,covalent,SING,N4,H11,,,,,20008,bmse001019,1
10,covalent,SING,N4,H12,,,,,20008,bmse001019,1
11,covalent,SING,C2,H9,,,,,20008,bmse001019,1
12,covalent,SING,C2,H10,,,,,20008,bmse001019,1
1,covalent,DOUB,C1,C2,,,,,20022,bmse001020,1
2,covalent,SING,C1,C5,,,,,20022,bmse001020,1
3,covalent,SING,C1,H18,,,,,20022,bmse001020,1
4,covalent,SING,C2,N12,,,,,20022,bmse001020,1
5,covalent,SING,C2,H19,,,,,20022,bmse001020,1
6,covalent,SING,C4,C3,,,,,20022,bmse001020,1
7,covalent,SING,C3,O13,,,,,20022,bmse001020,1
8,covalent,SING,C3,H20,,,,,20022,bmse001020,1
9,covalent,SING,C3,H21,,,,,20022,bmse001020,1
10,covalent,SING,C5,N10,,,,,20022,bmse001020,1
11,covalent,DOUB,C5,N11,,,,,20022,bmse001020,1
12,covalent,SING,C9,N11,,,,,20022,bmse001020,1
13,covalent,SING,C9,N12,,,,,20022,bmse001020,1
14,covalent,DOUB,C9,O16,,,,,20022,bmse001020,1
15,covalent,SING,C4,C6,,,,,20022,bmse001020,1
16,covalent,SING,C4,O17,,,,,20022,bmse001020,1
17,covalent,SING,C4,H22,,,,,20022,bmse001020,1
18,covalent,SING,C6,C7,,,,,20022,bmse001020,1
19,covalent,SING,C6,O14,,,,,20022,bmse001020,1
20,covalent,SING,C6,H23,,,,,20022,bmse001020,1
21,covalent,SING,C7,C8,,,,,20022,bmse001020,1
22,covalent,SING,C7,O15,,,,,20022,bmse001020,1
23,covalent,SING,C7,H24,,,,,20022,bmse001020,1
24,covalent,SING,C8,N12,,,,,20022,bmse001020,1
25,covalent,SING,C8,O17,,,,,20022,bmse001020,1
26,covalent,SING,C8,H25,,,,,20022,bmse001020,1
27,covalent,SING,N10,H26,,,,,20022,bmse001020,1
28,covalent,SING,N10,H27,,,,,20022,bmse001020,1
29,covalent,SING,O13,H28,,,,,20022,bmse001020,1
30,covalent,SING,O14,H29,,,,,20022,bmse001020,1
31,covalent,SING,O15,H30,,,,,20022,bmse001020,1
1,covalent,DOUB,O21,C15,,,,,20036,bmse001021,1
2,covalent,SING,C12,O20,,,,,20036,bmse001021,1
3,covalent,SING,O20,H50,,,,,20036,bmse001021,1
4,covalent,DOUB,O22,C16,,,,,20036,bmse001021,1
5,covalent,SING,C18,C17,,,,,20036,bmse001021,1
6,covalent,SING,C18,C11,,,,,20036,bmse001021,1
7,covalent,SING,C18,C8,,,,,20036,bmse001021,1
8,covalent,SING,C18,C1,,,,,20036,bmse001021,1
9,covalent,SING,C13,C17,,,,,20036,bmse001021,1
10,covalent,SING,C13,C14,,,,,20036,bmse001021,1
11,covalent,SING,C13,C4,,,,,20036,bmse001021,1
12,covalent,SING,C13,H47,,,,,20036,bmse001021,1
13,covalent,SING,C17,C15,,,,,20036,bmse001021,1
14,covalent,SING,C17,H49,,,,,20036,bmse001021,1
15,covalent,SING,C14,C19,,,,,20036,bmse001021,1
16,covalent,SING,C14,C5,,,,,20036,bmse001021,1
17,covalent,SING,C14,H48,,,,,20036,bmse001021,1
18,covalent,SING,C11,C3,,,,,20036,bmse001021,1
19,covalent,SING,C11,C9,,,,,20036,bmse001021,1
20,covalent,SING,C11,H45,,,,,20036,bmse001021,1
21,covalent,SING,C19,C10,,,,,20036,bmse001021,1
22,covalent,SING,C19,C16,,,,,20036,bmse001021,1
23,covalent,SING,C19,C2,,,,,20036,bmse001021,1
24,covalent,SING,C4,C3,,,,,20036,bmse001021,1
25,covalent,SING,C4,H31,,,,,20036,bmse001021,1
26,covalent,SING,C4,H32,,,,,20036,bmse001021,1
27,covalent,SING,C3,H29,,,,,20036,bmse001021,1
28,covalent,SING,C3,H30,,,,,20036,bmse001021,1
29,covalent,SING,C8,C7,,,,,20036,bmse001021,1
30,covalent,SING,C8,H39,,,,,20036,bmse001021,1
31,covalent,SING,C8,H40,,,,,20036,bmse001021,1
32,covalent,SING,C10,C15,,,,,20036,bmse001021,1
33,covalent,SING,C10,H43,,,,,20036,bmse001021,1
34,covalent,SING,C10,H44,,,,,20036,bmse001021,1
35,covalent,SING,C5,C6,,,,,20036,bmse001021,1
36,covalent,SING,C5,H33,,,,,20036,bmse001021,1
37,covalent,SING,C5,H34,,,,,20036,bmse001021,1
38,covalent,SING,C9,C12,,,,,20036,bmse001021,1
39,covalent,SING,C9,H41,,,,,20036,bmse001021,1
40,covalent,SING,C9,H42,,,,,20036,bmse001021,1
41,covalent,SING,C1,H25,,,,,20036,bmse001021,1
42,covalent,SING,C1,H23,,,,,20036,bmse001021,1
43,covalent,SING,C1,H24,,,,,20036,bmse001021,1
44,covalent,SING,C7,C12,,,,,20036,bmse001021,1
45,covalent,SING,C7,H37,,,,,20036,bmse001021,1
46,covalent,SING,C7,H38,,,,,20036,bmse001021,1
47,covalent,SING,C16,C6,,,,,20036,bmse001021,1
48,covalent,SING,C12,H46,,,,,20036,bmse001021,1
49,covalent,SING,C6,H35,,,,,20036,bmse001021,1
50,covalent,SING,C6,H36,,,,,20036,bmse001021,1
51,covalent,SING,C2,H26,,,,,20036,bmse001021,1
52,covalent,SING,C2,H27,,,,,20036,bmse001021,1
53,covalent,SING,C2,H28,,,,,20036,bmse001021,1
1,covalent,SING,O17,C10,,,,,20051,bmse001022,1
2,covalent,SING,O17,C6,,,,,20051,bmse001022,1
3,covalent,SING,C9,O16,,,,,20051,bmse001022,1
4,covalent,SING,O16,H30,,,,,20051,bmse001022,1
5,covalent,SING,C8,O15,,,,,20051,bmse001022,1
6,covalent,SING,O15,H29,,,,,20051,bmse001022,1
7,covalent,SING,O12,C4,,,,,20051,bmse001022,1
8,covalent,SING,O12,H27,,,,,20051,bmse001022,1
9,covalent,DOUB,O14,C7,,,,,20051,bmse001022,1
10,covalent,SING,O13,C5,,,,,20051,bmse001022,1
11,covalent,SING,O13,H28,,,,,20051,bmse001022,1
12,covalent,SING,C10,N11,,,,,20051,bmse001022,1
13,covalent,SING,N11,C7,,,,,20051,bmse001022,1
14,covalent,SING,N11,C2,,,,,20051,bmse001022,1
15,covalent,SING,C9,C8,,,,,20051,bmse001022,1
16,covalent,SING,C9,C10,,,,,20051,bmse001022,1
17,covalent,SING,C9,H25,,,,,20051,bmse001022,1
18,covalent,SING,C8,C6,,,,,20051,bmse001022,1
19,covalent,SING,C8,H24,,,,,20051,bmse001022,1
20,covalent,SING,C10,H26,,,,,20051,bmse001022,1
21,covalent,SING,C6,C4,,,,,20051,bmse001022,1
22,covalent,SING,C6,H23,,,,,20051,bmse001022,1
23,covalent,SING,C4,H21,,,,,20051,bmse001022,1
24,covalent,SING,C4,H22,,,,,20051,bmse001022,1
25,covalent,SING,C7,C3,,,,,20051,bmse001022,1
26,covalent,DOUB,C2,C1,,,,,20051,bmse001022,1
27,covalent,SING,C2,H19,,,,,20051,bmse001022,1
28,covalent,DOUB,C3,C5,,,,,20051,bmse001022,1
29,covalent,SING,C3,H20,,,,,20051,bmse001022,1
30,covalent,SING,C1,C5,,,,,20051,bmse001022,1
31,covalent,SING,C1,H18,,,,,20051,bmse001022,1
1,covalent,SING,O12,C4,,,,,20066,bmse001023,1
2,covalent,SING,O12,C5,,,,,20066,bmse001023,1
3,covalent,SING,O11,C3,,,,,20066,bmse001023,1
4,covalent,SING,O11,C6,,,,,20066,bmse001023,1
5,covalent,SING,C1,O7,,,,,20066,bmse001023,1
6,covalent,SING,O7,H18,,,,,20066,bmse001023,1
7,covalent,SING,C2,O8,,,,,20066,bmse001023,1
8,covalent,SING,O8,H19,,,,,20066,bmse001023,1
9,covalent,SING,O9,C5,,,,,20066,bmse001023,1
10,covalent,SING,O9,H20,,,,,20066,bmse001023,1
11,covalent,DOUB,O10,C6,,,,,20066,bmse001023,1
12,covalent,SING,C3,C4,,,,,20066,bmse001023,1
13,covalent,SING,C3,C1,,,,,20066,bmse001023,1
14,covalent,SING,C3,H15,,,,,20066,bmse001023,1
15,covalent,SING,C4,C2,,,,,20066,bmse001023,1
16,covalent,SING,C4,H16,,,,,20066,bmse001023,1
17,covalent,SING,C1,C5,,,,,20066,bmse001023,1
18,covalent,SING,C1,H13,,,,,20066,bmse001023,1
19,covalent,SING,C2,C6,,,,,20066,bmse001023,1
20,covalent,SING,C2,H14,,,,,20066,bmse001023,1
21,covalent,SING,C5,H17,,,,,20066,bmse001023,1
1,covalent,SING,P1,O9,,,,,20081,bmse001024,1
2,covalent,SING,P1,O15,,,,,20081,bmse001024,1
3,covalent,SING,P1,O17,,,,,20081,bmse001024,1
4,covalent,DOUB,P1,O18,,,,,20081,bmse001024,1
5,covalent,SING,P2,O12,,,,,20081,bmse001024,1
6,covalent,SING,P2,O15,,,,,20081,bmse001024,1
7,covalent,SING,P2,O19,,,,,20081,bmse001024,1
8,covalent,DOUB,P2,O20,,,,,20081,bmse001024,1
9,covalent,SING,O5,C26,,,,,20081,bmse001024,1
10,covalent,SING,O5,C27,,,,,20081,bmse001024,1
11,covalent,SING,O6,C31,,,,,20081,bmse001024,1
12,covalent,SING,O6,C32,,,,,20081,bmse001024,1
13,covalent,SING,C24,O7,,,,,20081,bmse001024,1
14,covalent,SING,O7,H52,,,,,20081,bmse001024,1
15,covalent,SING,C25,O8,,,,,20081,bmse001024,1
16,covalent,SING,O8,H53,,,,,20081,bmse001024,1
17,covalent,SING,O9,C32,,,,,20081,bmse001024,1
18,covalent,SING,C28,O10,,,,,20081,bmse001024,1
19,covalent,SING,O10,H55,,,,,20081,bmse001024,1
20,covalent,SING,C29,O11,,,,,20081,bmse001024,1
21,covalent,SING,O11,H56,,,,,20081,bmse001024,1
22,covalent,SING,O12,C33,,,,,20081,bmse001024,1
23,covalent,SING,C30,O13,,,,,20081,bmse001024,1
24,covalent,SING,O13,H57,,,,,20081,bmse001024,1
25,covalent,SING,O14,C34,,,,,20081,bmse001024,1
26,covalent,SING,O14,H60,,,,,20081,bmse001024,1
27,covalent,DOUB,O16,C35,,,,,20081,bmse001024,1
28,covalent,DOUB,O21,C38,,,,,20081,bmse001024,1
29,covalent,SING,N22,C27,,,,,20081,bmse001024,1
30,covalent,SING,N22,C35,,,,,20081,bmse001024,1
31,covalent,SING,N22,C36,,,,,20081,bmse001024,1
32,covalent,SING,N23,C35,,,,,20081,bmse001024,1
33,covalent,SING,N23,C38,,,,,20081,bmse001024,1
34,covalent,SING,N23,H58,,,,,20081,bmse001024,1
35,covalent,SING,C24,C25,,,,,20081,bmse001024,1
36,covalent,SING,C24,C26,,,,,20081,bmse001024,1
37,covalent,SING,C24,H39,,,,,20081,bmse001024,1
38,covalent,SING,C25,C27,,,,,20081,bmse001024,1
39,covalent,SING,C25,H40,,,,,20081,bmse001024,1
40,covalent,SING,C26,C33,,,,,20081,bmse001024,1
41,covalent,SING,C26,H41,,,,,20081,bmse001024,1
42,covalent,SING,C27,H42,,,,,20081,bmse001024,1
43,covalent,SING,C28,C29,,,,,20081,bmse001024,1
44,covalent,SING,C28,C30,,,,,20081,bmse001024,1
45,covalent,SING,C28,H43,,,,,20081,bmse001024,1
46,covalent,SING,C29,C31,,,,,20081,bmse001024,1
47,covalent,SING,C29,H44,,,,,20081,bmse001024,1
48,covalent,SING,C30,C32,,,,,20081,bmse001024,1
49,covalent,SING,C30,H45,,,,,20081,bmse001024,1
50,covalent,SING,C31,C34,,,,,20081,bmse001024,1
51,covalent,SING,C31,H46,,,,,20081,bmse001024,1
52,covalent,SING,C32,H47,,,,,20081,bmse001024,1
53,covalent,SING,C33,H48,,,,,20081,bmse001024,1
54,covalent,SING,C33,H49,,,,,20081,bmse001024,1
55,covalent,SING,C34,H50,,,,,20081,bmse001024,1
56,covalent,SING,C34,H51,,,,,20081,bmse001024,1
57,covalent,DOUB,C36,C37,,,,,20081,bmse001024,1
58,covalent,SING,C36,H54,,,,,20081,bmse001024,1
59,covalent,SING,C37,C38,,,,,20081,bmse001024,1
60,covalent,SING,C37,H59,,,,,20081,bmse001024,1
1,covalent,SING,O12,C7,,,,,20096,bmse001025,1
2,covalent,SING,O12,H24,,,,,20096,bmse001025,1
3,covalent,SING,O10,C6,,,,,20096,bmse001025,1
4,covalent,SING,O10,H23,,,,,20096,bmse001025,1
5,covalent,DOUB,O11,C6,,,,,20096,bmse001025,1
6,covalent,SING,O8,C5,,,,,20096,bmse001025,1
7,covalent,SING,O8,H22,,,,,20096,bmse001025,1
8,covalent,DOUB,O9,C5,,,,,20096,bmse001025,1
9,covalent,SING,C7,C4,,,,,20096,bmse001025,1
10,covalent,SING,C7,C3,,,,,20096,bmse001025,1
11,covalent,SING,C7,C6,,,,,20096,bmse001025,1
12,covalent,SING,C4,C1,,,,,20096,bmse001025,1
13,covalent,SING,C4,C2,,,,,20096,bmse001025,1
14,covalent,SING,C4,H21,,,,,20096,bmse001025,1
15,covalent,SING,C3,C5,,,,,20096,bmse001025,1
16,covalent,SING,C3,H19,,,,,20096,bmse001025,1
17,covalent,SING,C3,H20,,,,,20096,bmse001025,1
18,covalent,SING,C1,H15,,,,,20096,bmse001025,1
19,covalent,SING,C1,H14,,,,,20096,bmse001025,1
20,covalent,SING,C1,H13,,,,,20096,bmse001025,1
21,covalent,SING,C2,H18,,,,,20096,bmse001025,1
22,covalent,SING,C2,H17,,,,,20096,bmse001025,1
23,covalent,SING,C2,H16,,,,,20096,bmse001025,1
1,covalent,SING,P18,O16,,,,,20110,bmse001026,1
2,covalent,SING,P18,O17,,,,,20110,bmse001026,1
3,covalent,SING,P18,O13,,,,,20110,bmse001026,1
4,covalent,DOUB,P18,O14,,,,,20110,bmse001026,1
5,covalent,SING,O16,C5,,,,,20110,bmse001026,1
6,covalent,SING,O17,C7,,,,,20110,bmse001026,1
7,covalent,SING,C9,O15,,,,,20110,bmse001026,1
8,covalent,SING,O15,C8,,,,,20110,bmse001026,1
9,covalent,SING,O13,H39,,,,,20110,bmse001026,1
10,covalent,SING,O11,C6,,,,,20110,bmse001026,1
11,covalent,SING,O11,H38,,,,,20110,bmse001026,1
12,covalent,DOUB,O12,C8,,,,,20110,bmse001026,1
13,covalent,SING,N10,C4,,,,,20110,bmse001026,1
14,covalent,SING,N10,C1,,,,,20110,bmse001026,1
15,covalent,SING,N10,C2,,,,,20110,bmse001026,1
16,covalent,SING,N10,C3,,,,,20110,bmse001026,1
17,covalent,SING,C4,C5,,,,,20110,bmse001026,1
18,covalent,SING,C4,H28,,,,,20110,bmse001026,1
19,covalent,SING,C4,H29,,,,,20110,bmse001026,1
20,covalent,SING,C1,H19,,,,,20110,bmse001026,1
21,covalent,SING,C1,H20,,,,,20110,bmse001026,1
22,covalent,SING,C1,H21,,,,,20110,bmse001026,1
23,covalent,SING,C2,H24,,,,,20110,bmse001026,1
24,covalent,SING,C2,H23,,,,,20110,bmse001026,1
25,covalent,SING,C2,H22,,,,,20110,bmse001026,1
26,covalent,SING,C3,H26,,,,,20110,bmse001026,1
27,covalent,SING,C3,H27,,,,,20110,bmse001026,1
28,covalent,SING,C3,H25,,,,,20110,bmse001026,1
29,covalent,SING,C5,H30,,,,,20110,bmse001026,1
30,covalent,SING,C5,H31,,,,,20110,bmse001026,1
31,covalent,SING,C9,C7,,,,,20110,bmse001026,1
32,covalent,SING,C9,C6,,,,,20110,bmse001026,1
33,covalent,SING,C9,H37,,,,,20110,bmse001026,1
34,covalent,SING,C7,H34,,,,,20110,bmse001026,1
35,covalent,SING,C7,H35,,,,,20110,bmse001026,1
36,covalent,SING,C6,H32,,,,,20110,bmse001026,1
37,covalent,SING,C6,H33,,,,,20110,bmse001026,1
38,covalent,SING,C8,H36,,,,,20110,bmse001026,1
1,covalent,SING,P52,O49,,,,,20123,bmse001027,1
2,covalent,SING,P52,O50,,,,,20123,bmse001027,1
3,covalent,SING,P52,O46,,,,,20123,bmse001027,1
4,covalent,DOUB,P52,O47,,,,,20123,bmse001027,1
5,covalent,SING,O49,C37,,,,,20123,bmse001027,1
6,covalent,SING,O48,C41,,,,,20123,bmse001027,1
7,covalent,SING,O48,C38,,,,,20123,bmse001027,1
8,covalent,SING,O50,C39,,,,,20123,bmse001027,1
9,covalent,SING,C40,O51,,,,,20123,bmse001027,1
10,covalent,SING,O51,C42,,,,,20123,bmse001027,1
11,covalent,DOUB,O44,C41,,,,,20123,bmse001027,1
12,covalent,DOUB,O45,C42,,,,,20123,bmse001027,1
13,covalent,SING,N43,C36,,,,,20123,bmse001027,1
14,covalent,SING,N43,C3,,,,,20123,bmse001027,1
15,covalent,SING,N43,C4,,,,,20123,bmse001027,1
16,covalent,SING,N43,C5,,,,,20123,bmse001027,1
17,covalent,SING,C22,C19,,,,,20123,bmse001027,1
18,covalent,SING,C22,C24,,,,,20123,bmse001027,1
19,covalent,SING,C22,H96,,,,,20123,bmse001027,1
20,covalent,SING,C22,H97,,,,,20123,bmse001027,1
21,covalent,SING,C19,C17,,,,,20123,bmse001027,1
22,covalent,SING,C19,H92,,,,,20123,bmse001027,1
23,covalent,SING,C19,H93,,,,,20123,bmse001027,1
24,covalent,SING,C24,C26,,,,,20123,bmse001027,1
25,covalent,SING,C24,H100,,,,,20123,bmse001027,1
26,covalent,SING,C24,H101,,,,,20123,bmse001027,1
27,covalent,SING,C17,C15,,,,,20123,bmse001027,1
28,covalent,SING,C17,H88,,,,,20123,bmse001027,1
29,covalent,SING,C17,H89,,,,,20123,bmse001027,1
30,covalent,SING,C26,C28,,,,,20123,bmse001027,1
31,covalent,SING,C26,H104,,,,,20123,bmse001027,1
32,covalent,SING,C26,H105,,,,,20123,bmse001027,1
33,covalent,SING,C15,C13,,,,,20123,bmse001027,1
34,covalent,SING,C15,H85,,,,,20123,bmse001027,1
35,covalent,SING,C15,H86,,,,,20123,bmse001027,1
36,covalent,SING,C28,C30,,,,,20123,bmse001027,1
37,covalent,SING,C28,H108,,,,,20123,bmse001027,1
38,covalent,SING,C28,H109,,,,,20123,bmse001027,1
39,covalent,SING,C13,C11,,,,,20123,bmse001027,1
40,covalent,SING,C13,H82,,,,,20123,bmse001027,1
41,covalent,SING,C13,H83,,,,,20123,bmse001027,1
42,covalent,SING,C30,C32,,,,,20123,bmse001027,1
43,covalent,SING,C30,H112,,,,,20123,bmse001027,1
44,covalent,SING,C30,H113,,,,,20123,bmse001027,1
45,covalent,SING,C11,C9,,,,,20123,bmse001027,1
46,covalent,SING,C11,H78,,,,,20123,bmse001027,1
47,covalent,SING,C11,H79,,,,,20123,bmse001027,1
48,covalent,SING,C36,C37,,,,,20123,bmse001027,1
49,covalent,SING,C36,H124,,,,,20123,bmse001027,1
50,covalent,SING,C36,H125,,,,,20123,bmse001027,1
51,covalent,SING,C9,C7,,,,,20123,bmse001027,1
52,covalent,SING,C9,H74,,,,,20123,bmse001027,1
53,covalent,SING,C9,H75,,,,,20123,bmse001027,1
54,covalent,SING,C32,C34,,,,,20123,bmse001027,1
55,covalent,SING,C32,H116,,,,,20123,bmse001027,1
56,covalent,SING,C32,H117,,,,,20123,bmse001027,1
57,covalent,SING,C3,H60,,,,,20123,bmse001027,1
58,covalent,SING,C3,H59,,,,,20123,bmse001027,1
59,covalent,SING,C3,H61,,,,,20123,bmse001027,1
60,covalent,SING,C4,H62,,,,,20123,bmse001027,1
61,covalent,SING,C4,H63,,,,,20123,bmse001027,1
62,covalent,SING,C4,H64,,,,,20123,bmse001027,1
63,covalent,SING,C5,H66,,,,,20123,bmse001027,1
64,covalent,SING,C5,H65,,,,,20123,bmse001027,1
65,covalent,SING,C5,H67,,,,,20123,bmse001027,1
66,covalent,SING,C37,H126,,,,,20123,bmse001027,1
67,covalent,SING,C37,H127,,,,,20123,bmse001027,1
68,covalent,SING,C7,C2,,,,,20123,bmse001027,1
69,covalent,SING,C7,H70,,,,,20123,bmse001027,1
70,covalent,SING,C7,H71,,,,,20123,bmse001027,1
71,covalent,SING,C34,C41,,,,,20123,bmse001027,1
72,covalent,SING,C34,H120,,,,,20123,bmse001027,1
73,covalent,SING,C34,H121,,,,,20123,bmse001027,1
74,covalent,SING,C29,C31,,,,,20123,bmse001027,1
75,covalent,SING,C29,C27,,,,,20123,bmse001027,1
76,covalent,SING,C29,H110,,,,,20123,bmse001027,1
77,covalent,SING,C29,H111,,,,,20123,bmse001027,1
78,covalent,SING,C31,C33,,,,,20123,bmse001027,1
79,covalent,SING,C31,H114,,,,,20123,bmse001027,1
80,covalent,SING,C31,H115,,,,,20123,bmse001027,1
81,covalent,SING,C2,H58,,,,,20123,bmse001027,1
82,covalent,SING,C2,H56,,,,,20123,bmse001027,1
83,covalent,SING,C2,H57,,,,,20123,bmse001027,1
84,covalent,SING,C27,C25,,,,,20123,bmse001027,1
85,covalent,SING,C27,H106,,,,,20123,bmse001027,1
86,covalent,SING,C27,H107,,,,,20123,bmse001027,1
87,covalent,SING,C33,C35,,,,,20123,bmse001027,1
88,covalent,SING,C33,H118,,,,,20123,bmse001027,1
89,covalent,SING,C33,H119,,,,,20123,bmse001027,1
90,covalent,SING,C40,C38,,,,,20123,bmse001027,1
91,covalent,SING,C40,C39,,,,,20123,bmse001027,1
92,covalent,SING,C40,H132,,,,,20123,bmse001027,1
93,covalent,SING,C25,C23,,,,,20123,bmse001027,1
94,covalent,SING,C25,H102,,,,,20123,bmse001027,1
95,covalent,SING,C25,H103,,,,,20123,bmse001027,1
96,covalent,SING,C38,H128,,,,,20123,bmse001027,1
97,covalent,SING,C38,H129,,,,,20123,bmse001027,1
98,covalent,SING,C35,C42,,,,,20123,bmse001027,1
99,covalent,SING,C35,H122,,,,,20123,bmse001027,1
100,covalent,SING,C35,H123,,,,,20123,bmse001027,1
101,covalent,SING,C39,H130,,,,,20123,bmse001027,1
102,covalent,SING,C39,H131,,,,,20123,bmse001027,1
103,covalent,SING,C23,C21,,,,,20123,bmse001027,1
104,covalent,SING,C23,H98,,,,,20123,bmse001027,1
105,covalent,SING,C23,H99,,,,,20123,bmse001027,1
106,covalent,DOUB,C21,C20,,,,,20123,bmse001027,1
107,covalent,SING,C21,H95,,,,,20123,bmse001027,1
108,covalent,SING,C20,C18,,,,,20123,bmse001027,1
109,covalent,SING,C20,H94,,,,,20123,bmse001027,1
110,covalent,SING,C18,C16,,,,,20123,bmse001027,1
111,covalent,SING,C18,H90,,,,,20123,bmse001027,1
112,covalent,SING,C18,H91,,,,,20123,bmse001027,1
113,covalent,SING,C10,C12,,,,,20123,bmse001027,1
114,covalent,SING,C10,C8,,,,,20123,bmse001027,1
115,covalent,SING,C10,H76,,,,,20123,bmse001027,1
116,covalent,SING,C10,H77,,,,,20123,bmse001027,1
117,covalent,SING,C12,C14,,,,,20123,bmse001027,1
118,covalent,SING,C12,H80,,,,,20123,bmse001027,1
119,covalent,SING,C12,H81,,,,,20123,bmse001027,1
120,covalent,SING,C8,C6,,,,,20123,bmse001027,1
121,covalent,SING,C8,H72,,,,,20123,bmse001027,1
122,covalent,SING,C8,H73,,,,,20123,bmse001027,1
123,covalent,DOUB,C16,C14,,,,,20123,bmse001027,1
124,covalent,SING,C16,H87,,,,,20123,bmse001027,1
125,covalent,SING,C14,H84,,,,,20123,bmse001027,1
126,covalent,SING,C6,C1,,,,,20123,bmse001027,1
127,covalent,SING,C6,H68,,,,,20123,bmse001027,1
128,covalent,SING,C6,H69,,,,,20123,bmse001027,1
129,covalent,SING,C1,H54,,,,,20123,bmse001027,1
130,covalent,SING,C1,H55,,,,,20123,bmse001027,1
131,covalent,SING,C1,H53,,,,,20123,bmse001027,1
1,covalent,SING,P91,O83,,,,,20136,bmse001028,1
2,covalent,SING,P91,O88,,,,,20136,bmse001028,1
3,covalent,SING,P91,O87,,,,,20136,bmse001028,1
4,covalent,DOUB,P91,O84,,,,,20136,bmse001028,1
5,covalent,SING,O87,C71,,,,,20136,bmse001028,1
6,covalent,SING,O88,C72,,,,,20136,bmse001028,1
7,covalent,SING,C71,C73,,,,,20136,bmse001028,1
8,covalent,SING,C72,C74,,,,,20136,bmse001028,1
9,covalent,SING,C74,C70,,,,,20136,bmse001028,1
10,covalent,SING,C74,O90,,,,,20136,bmse001028,1
11,covalent,SING,C73,O89,,,,,20136,bmse001028,1
12,covalent,SING,C73,C69,,,,,20136,bmse001028,1
13,covalent,SING,C69,O85,,,,,20136,bmse001028,1
14,covalent,SING,C70,O86,,,,,20136,bmse001028,1
15,covalent,SING,O86,C76,,,,,20136,bmse001028,1
16,covalent,SING,C76,C66,,,,,20136,bmse001028,1
17,covalent,SING,O85,C75,,,,,20136,bmse001028,1
18,covalent,SING,C75,C65,,,,,20136,bmse001028,1
19,covalent,SING,O89,C77,,,,,20136,bmse001028,1
20,covalent,SING,C77,C67,,,,,20136,bmse001028,1
21,covalent,SING,O90,C78,,,,,20136,bmse001028,1
22,covalent,SING,C78,C68,,,,,20136,bmse001028,1
23,covalent,DOUB,C75,O79,,,,,20136,bmse001028,1
24,covalent,DOUB,C77,O81,,,,,20136,bmse001028,1
25,covalent,DOUB,C78,O82,,,,,20136,bmse001028,1
26,covalent,DOUB,C76,O80,,,,,20136,bmse001028,1
27,covalent,SING,C51,C47,,,,,20136,bmse001028,1
28,covalent,SING,C51,C55,,,,,20136,bmse001028,1
29,covalent,SING,C51,H188,,,,,20136,bmse001028,1
30,covalent,SING,C51,H189,,,,,20136,bmse001028,1
31,covalent,SING,C47,C43,,,,,20136,bmse001028,1
32,covalent,SING,C47,H180,,,,,20136,bmse001028,1
33,covalent,SING,C47,H181,,,,,20136,bmse001028,1
34,covalent,SING,C55,C59,,,,,20136,bmse001028,1
35,covalent,SING,C55,H196,,,,,20136,bmse001028,1
36,covalent,SING,C55,H197,,,,,20136,bmse001028,1
37,covalent,SING,C43,C39,,,,,20136,bmse001028,1
38,covalent,SING,C43,H172,,,,,20136,bmse001028,1
39,covalent,SING,C43,H173,,,,,20136,bmse001028,1
40,covalent,SING,C59,C63,,,,,20136,bmse001028,1
41,covalent,SING,C59,H204,,,,,20136,bmse001028,1
42,covalent,SING,C59,H205,,,,,20136,bmse001028,1
43,covalent,SING,C39,C37,,,,,20136,bmse001028,1
44,covalent,SING,C39,H164,,,,,20136,bmse001028,1
45,covalent,SING,C39,H165,,,,,20136,bmse001028,1
46,covalent,SING,C63,H212,,,,,20136,bmse001028,1
47,covalent,SING,C63,H213,,,,,20136,bmse001028,1
48,covalent,SING,C13,C9,,,,,20136,bmse001028,1
49,covalent,SING,C13,C17,,,,,20136,bmse001028,1
50,covalent,SING,C13,H120,,,,,20136,bmse001028,1
51,covalent,SING,C13,H121,,,,,20136,bmse001028,1
52,covalent,SING,C9,C5,,,,,20136,bmse001028,1
53,covalent,SING,C9,H112,,,,,20136,bmse001028,1
54,covalent,SING,C9,H113,,,,,20136,bmse001028,1
55,covalent,DOUB,C37,C33,,,,,20136,bmse001028,1
56,covalent,SING,C37,H162,,,,,20136,bmse001028,1
57,covalent,SING,C17,C21,,,,,20136,bmse001028,1
58,covalent,SING,C17,H128,,,,,20136,bmse001028,1
59,covalent,SING,C17,H129,,,,,20136,bmse001028,1
60,covalent,SING,C5,C1,,,,,20136,bmse001028,1
61,covalent,SING,C5,H104,,,,,20136,bmse001028,1
62,covalent,SING,C5,H105,,,,,20136,bmse001028,1
63,covalent,SING,C33,C29,,,,,20136,bmse001028,1
64,covalent,SING,C33,H156,,,,,20136,bmse001028,1
65,covalent,SING,C29,C25,,,,,20136,bmse001028,1
66,covalent,SING,C29,H148,,,,,20136,bmse001028,1
67,covalent,SING,C29,H149,,,,,20136,bmse001028,1
68,covalent,DOUB,C21,C25,,,,,20136,bmse001028,1
69,covalent,SING,C21,H136,,,,,20136,bmse001028,1
70,covalent,SING,C25,H142,,,,,20136,bmse001028,1
71,covalent,SING,C1,H94,,,,,20136,bmse001028,1
72,covalent,SING,C1,H92,,,,,20136,bmse001028,1
73,covalent,SING,C1,H93,,,,,20136,bmse001028,1
74,covalent,SING,C63,C67,,,,,20136,bmse001028,1
75,covalent,SING,C3,H100,,,,,20136,bmse001028,1
76,covalent,SING,C3,H98,,,,,20136,bmse001028,1
77,covalent,SING,C3,H99,,,,,20136,bmse001028,1
78,covalent,SING,C7,H108,,,,,20136,bmse001028,1
79,covalent,SING,C7,H109,,,,,20136,bmse001028,1
80,covalent,SING,C7,C3,,,,,20136,bmse001028,1
81,covalent,SING,C11,H116,,,,,20136,bmse001028,1
82,covalent,SING,C11,H117,,,,,20136,bmse001028,1
83,covalent,SING,C11,C7,,,,,20136,bmse001028,1
84,covalent,SING,C15,H124,,,,,20136,bmse001028,1
85,covalent,SING,C15,H125,,,,,20136,bmse001028,1
86,covalent,SING,C15,C11,,,,,20136,bmse001028,1
87,covalent,SING,C19,H132,,,,,20136,bmse001028,1
88,covalent,SING,C19,H133,,,,,20136,bmse001028,1
89,covalent,SING,C19,C15,,,,,20136,bmse001028,1
90,covalent,SING,C23,H138,,,,,20136,bmse001028,1
91,covalent,SING,C23,H139,,,,,20136,bmse001028,1
92,covalent,SING,C23,C19,,,,,20136,bmse001028,1
93,covalent,SING,C31,C35,,,,,20136,bmse001028,1
94,covalent,SING,C31,C27,,,,,20136,bmse001028,1
95,covalent,SING,C31,H152,,,,,20136,bmse001028,1
96,covalent,SING,C31,H153,,,,,20136,bmse001028,1
97,covalent,SING,C35,C41,,,,,20136,bmse001028,1
98,covalent,SING,C35,H158,,,,,20136,bmse001028,1
99,covalent,SING,C35,H159,,,,,20136,bmse001028,1
100,covalent,SING,C27,C23,,,,,20136,bmse001028,1
101,covalent,SING,C27,H144,,,,,20136,bmse001028,1
102,covalent,SING,C27,H145,,,,,20136,bmse001028,1
103,covalent,SING,C41,C45,,,,,20136,bmse001028,1
104,covalent,SING,C41,H168,,,,,20136,bmse001028,1
105,covalent,SING,C41,H169,,,,,20136,bmse001028,1
106,covalent,SING,C45,C49,,,,,20136,bmse001028,1
107,covalent,SING,C45,H176,,,,,20136,bmse001028,1
108,covalent,SING,C45,H177,,,,,20136,bmse001028,1
109,covalent,SING,C49,C53,,,,,20136,bmse001028,1
110,covalent,SING,C49,H184,,,,,20136,bmse001028,1
111,covalent,SING,C49,H185,,,,,20136,bmse001028,1
112,covalent,SING,C53,C57,,,,,20136,bmse001028,1
113,covalent,SING,C53,H192,,,,,20136,bmse001028,1
114,covalent,SING,C53,H193,,,,,20136,bmse001028,1
115,covalent,SING,C57,C61,,,,,20136,bmse001028,1
116,covalent,SING,C57,H200,,,,,20136,bmse001028,1
117,covalent,SING,C57,H201,,,,,20136,bmse001028,1
118,covalent,SING,C61,H208,,,,,20136,bmse001028,1
119,covalent,SING,C61,H209,,,,,20136,bmse001028,1
120,covalent,SING,C61,C65,,,,,20136,bmse001028,1
121,covalent,SING,C4,H101,,,,,20136,bmse001028,1
122,covalent,SING,C4,H102,,,,,20136,bmse001028,1
123,covalent,SING,C4,H103,,,,,20136,bmse001028,1
124,covalent,SING,C8,H110,,,,,20136,bmse001028,1
125,covalent,SING,C8,H111,,,,,20136,bmse001028,1
126,covalent,SING,C8,C4,,,,,20136,bmse001028,1
127,covalent,SING,C12,H118,,,,,20136,bmse001028,1
128,covalent,SING,C12,H119,,,,,20136,bmse001028,1
129,covalent,SING,C12,C8,,,,,20136,bmse001028,1
130,covalent,SING,C16,H126,,,,,20136,bmse001028,1
131,covalent,SING,C16,H127,,,,,20136,bmse001028,1
132,covalent,SING,C16,C12,,,,,20136,bmse001028,1
133,covalent,SING,C20,H134,,,,,20136,bmse001028,1
134,covalent,SING,C20,H135,,,,,20136,bmse001028,1
135,covalent,SING,C20,C16,,,,,20136,bmse001028,1
136,covalent,SING,C24,H140,,,,,20136,bmse001028,1
137,covalent,SING,C24,H141,,,,,20136,bmse001028,1
138,covalent,SING,C24,C20,,,,,20136,bmse001028,1
139,covalent,SING,C32,C36,,,,,20136,bmse001028,1
140,covalent,SING,C32,C28,,,,,20136,bmse001028,1
141,covalent,SING,C32,H154,,,,,20136,bmse001028,1
142,covalent,SING,C32,H155,,,,,20136,bmse001028,1
143,covalent,SING,C36,C42,,,,,20136,bmse001028,1
144,covalent,SING,C36,H160,,,,,20136,bmse001028,1
145,covalent,SING,C36,H161,,,,,20136,bmse001028,1
146,covalent,SING,C28,C24,,,,,20136,bmse001028,1
147,covalent,SING,C28,H146,,,,,20136,bmse001028,1
148,covalent,SING,C28,H147,,,,,20136,bmse001028,1
149,covalent,SING,C42,C46,,,,,20136,bmse001028,1
150,covalent,SING,C42,H170,,,,,20136,bmse001028,1
151,covalent,SING,C42,H171,,,,,20136,bmse001028,1
152,covalent,SING,C46,C50,,,,,20136,bmse001028,1
153,covalent,SING,C46,H178,,,,,20136,bmse001028,1
154,covalent,SING,C46,H179,,,,,20136,bmse001028,1
155,covalent,SING,C50,C54,,,,,20136,bmse001028,1
156,covalent,SING,C50,H186,,,,,20136,bmse001028,1
157,covalent,SING,C50,H187,,,,,20136,bmse001028,1
158,covalent,SING,C54,C58,,,,,20136,bmse001028,1
159,covalent,SING,C54,H194,,,,,20136,bmse001028,1
160,covalent,SING,C54,H195,,,,,20136,bmse001028,1
161,covalent,SING,C58,C62,,,,,20136,bmse001028,1
162,covalent,SING,C58,H202,,,,,20136,bmse001028,1
163,covalent,SING,C58,H203,,,,,20136,bmse001028,1
164,covalent,SING,C62,H210,,,,,20136,bmse001028,1
165,covalent,SING,C62,H211,,,,,20136,bmse001028,1
166,covalent,SING,C62,C66,,,,,20136,bmse001028,1
167,covalent,SING,C52,C48,,,,,20136,bmse001028,1
168,covalent,SING,C52,C56,,,,,20136,bmse001028,1
169,covalent,SING,C52,H190,,,,,20136,bmse001028,1
170,covalent,SING,C52,H191,,,,,20136,bmse001028,1
171,covalent,SING,C48,C44,,,,,20136,bmse001028,1
172,covalent,SING,C48,H182,,,,,20136,bmse001028,1
173,covalent,SING,C48,H183,,,,,20136,bmse001028,1
174,covalent,SING,C56,C60,,,,,20136,bmse001028,1
175,covalent,SING,C56,H198,,,,,20136,bmse001028,1
176,covalent,SING,C56,H199,,,,,20136,bmse001028,1
177,covalent,SING,C44,C40,,,,,20136,bmse001028,1
178,covalent,SING,C44,H174,,,,,20136,bmse001028,1
179,covalent,SING,C44,H175,,,,,20136,bmse001028,1
180,covalent,SING,C60,C64,,,,,20136,bmse001028,1
181,covalent,SING,C60,H206,,,,,20136,bmse001028,1
182,covalent,SING,C60,H207,,,,,20136,bmse001028,1
183,covalent,SING,C40,C38,,,,,20136,bmse001028,1
184,covalent,SING,C40,H166,,,,,20136,bmse001028,1
185,covalent,SING,C40,H167,,,,,20136,bmse001028,1
186,covalent,SING,C64,H214,,,,,20136,bmse001028,1
187,covalent,SING,C64,H215,,,,,20136,bmse001028,1
188,covalent,SING,C14,C10,,,,,20136,bmse001028,1
189,covalent,SING,C14,C18,,,,,20136,bmse001028,1
190,covalent,SING,C14,H122,,,,,20136,bmse001028,1
191,covalent,SING,C14,H123,,,,,20136,bmse001028,1
192,covalent,SING,C10,C6,,,,,20136,bmse001028,1
193,covalent,SING,C10,H114,,,,,20136,bmse001028,1
194,covalent,SING,C10,H115,,,,,20136,bmse001028,1
195,covalent,DOUB,C38,C34,,,,,20136,bmse001028,1
196,covalent,SING,C38,H163,,,,,20136,bmse001028,1
197,covalent,SING,C18,C22,,,,,20136,bmse001028,1
198,covalent,SING,C18,H130,,,,,20136,bmse001028,1
199,covalent,SING,C18,H131,,,,,20136,bmse001028,1
200,covalent,SING,C6,C2,,,,,20136,bmse001028,1
201,covalent,SING,C6,H106,,,,,20136,bmse001028,1
202,covalent,SING,C6,H107,,,,,20136,bmse001028,1
203,covalent,SING,C34,C30,,,,,20136,bmse001028,1
204,covalent,SING,C34,H157,,,,,20136,bmse001028,1
205,covalent,SING,C30,C26,,,,,20136,bmse001028,1
206,covalent,SING,C30,H150,,,,,20136,bmse001028,1
207,covalent,SING,C30,H151,,,,,20136,bmse001028,1
208,covalent,DOUB,C22,C26,,,,,20136,bmse001028,1
209,covalent,SING,C22,H137,,,,,20136,bmse001028,1
210,covalent,SING,C26,H143,,,,,20136,bmse001028,1
211,covalent,SING,C2,H97,,,,,20136,bmse001028,1
212,covalent,SING,C2,H95,,,,,20136,bmse001028,1
213,covalent,SING,C2,H96,,,,,20136,bmse001028,1
214,covalent,SING,C68,C64,,,,,20136,bmse001028,1
215,covalent,SING,H224,C69,,,,,20136,bmse001028,1
216,covalent,SING,C69,H225,,,,,20136,bmse001028,1
217,covalent,SING,C71,H228,,,,,20136,bmse001028,1
218,covalent,SING,C71,H229,,,,,20136,bmse001028,1
219,covalent,SING,C72,H230,,,,,20136,bmse001028,1
220,covalent,SING,C72,H231,,,,,20136,bmse001028,1
221,covalent,SING,C70,H226,,,,,20136,bmse001028,1
222,covalent,SING,C70,H227,,,,,20136,bmse001028,1
223,covalent,SING,C67,H220,,,,,20136,bmse001028,1
224,covalent,SING,C67,H221,,,,,20136,bmse001028,1
225,covalent,SING,C68,H222,,,,,20136,bmse001028,1
226,covalent,SING,C68,H223,,,,,20136,bmse001028,1
227,covalent,SING,C65,H216,,,,,20136,bmse001028,1
228,covalent,SING,C65,H217,,,,,20136,bmse001028,1
229,covalent,SING,C66,H218,,,,,20136,bmse001028,1
230,covalent,SING,C66,H219,,,,,20136,bmse001028,1
1,covalent,SING,Cl8,C7,,,,,20151,bmse001029,1
2,covalent,DOUB,O9,C5,,,,,20151,bmse001029,1
3,covalent,DOUB,C6,C1,,,,,20151,bmse001029,1
4,covalent,SING,C6,C2,,,,,20151,bmse001029,1
5,covalent,SING,C6,C5,,,,,20151,bmse001029,1
6,covalent,SING,C1,C3,,,,,20151,bmse001029,1
7,covalent,SING,C1,H10,,,,,20151,bmse001029,1
8,covalent,DOUB,C2,C4,,,,,20151,bmse001029,1
9,covalent,SING,C2,H11,,,,,20151,bmse001029,1
10,covalent,DOUB,C3,C7,,,,,20151,bmse001029,1
11,covalent,SING,C3,H12,,,,,20151,bmse001029,1
12,covalent,SING,C4,C7,,,,,20151,bmse001029,1
13,covalent,SING,C4,H13,,,,,20151,bmse001029,1
14,covalent,SING,C5,H14,,,,,20151,bmse001029,1
1,covalent,SING,Cl7,C6,,,,,20164,bmse001030,1
2,covalent,DOUB,C6,C4,,,,,20164,bmse001030,1
3,covalent,SING,C6,C5,,,,,20164,bmse001030,1
4,covalent,SING,C4,C2,,,,,20164,bmse001030,1
5,covalent,SING,C4,H11,,,,,20164,bmse001030,1
6,covalent,DOUB,C5,C3,,,,,20164,bmse001030,1
7,covalent,SING,C5,H12,,,,,20164,bmse001030,1
8,covalent,DOUB,C2,C1,,,,,20164,bmse001030,1
9,covalent,SING,C2,H9,,,,,20164,bmse001030,1
10,covalent,SING,C3,C1,,,,,20164,bmse001030,1
11,covalent,SING,C3,H10,,,,,20164,bmse001030,1
12,covalent,SING,C1,H8,,,,,20164,bmse001030,1
1,covalent,SING,O10,C4,,,,,20177,bmse001031,1
2,covalent,SING,O10,C6,,,,,20177,bmse001031,1
3,covalent,DOUB,O9,C6,,,,,20177,bmse001031,1
4,covalent,SING,O7,C5,,,,,20177,bmse001031,1
5,covalent,DOUB,O8,C5,,,,,20177,bmse001031,1
6,covalent,DOUB,C4,C1,,,,,20177,bmse001031,1
7,covalent,SING,C4,C3,,,,,20177,bmse001031,1
8,covalent,SING,C2,C1,,,,,20177,bmse001031,1
9,covalent,SING,C2,C6,,,,,20177,bmse001031,1
10,covalent,SING,C2,H12,,,,,20177,bmse001031,1
11,covalent,SING,C2,H13,,,,,20177,bmse001031,1
12,covalent,SING,C1,H11,,,,,20177,bmse001031,1
13,covalent,SING,C3,C5,,,,,20177,bmse001031,1
14,covalent,SING,C3,H14,,,,,20177,bmse001031,1
15,covalent,SING,C3,H15,,,,,20177,bmse001031,1
1,covalent,DOUB,O21,C15,,,,,20191,bmse001032,1
2,covalent,SING,C12,O20,,,,,20191,bmse001032,1
3,covalent,SING,O20,H50,,,,,20191,bmse001032,1
4,covalent,DOUB,O22,C16,,,,,20191,bmse001032,1
5,covalent,SING,C18,C17,,,,,20191,bmse001032,1
6,covalent,SING,C18,C11,,,,,20191,bmse001032,1
7,covalent,SING,C18,C8,,,,,20191,bmse001032,1
8,covalent,SING,C18,C1,,,,,20191,bmse001032,1
9,covalent,SING,C13,C17,,,,,20191,bmse001032,1
10,covalent,SING,C13,C14,,,,,20191,bmse001032,1
11,covalent,SING,C13,C4,,,,,20191,bmse001032,1
12,covalent,SING,C13,H47,,,,,20191,bmse001032,1
13,covalent,SING,C17,C15,,,,,20191,bmse001032,1
14,covalent,SING,C17,H49,,,,,20191,bmse001032,1
15,covalent,SING,C14,C19,,,,,20191,bmse001032,1
16,covalent,SING,C14,C5,,,,,20191,bmse001032,1
17,covalent,SING,C14,H48,,,,,20191,bmse001032,1
18,covalent,SING,C11,C3,,,,,20191,bmse001032,1
19,covalent,SING,C11,C9,,,,,20191,bmse001032,1
20,covalent,SING,C11,H45,,,,,20191,bmse001032,1
21,covalent,SING,C19,C10,,,,,20191,bmse001032,1
22,covalent,SING,C19,C16,,,,,20191,bmse001032,1
23,covalent,SING,C19,C2,,,,,20191,bmse001032,1
24,covalent,SING,C4,C3,,,,,20191,bmse001032,1
25,covalent,SING,C4,H31,,,,,20191,bmse001032,1
26,covalent,SING,C4,H32,,,,,20191,bmse001032,1
27,covalent,SING,C3,H29,,,,,20191,bmse001032,1
28,covalent,SING,C3,H30,,,,,20191,bmse001032,1
29,covalent,SING,C8,C7,,,,,20191,bmse001032,1
30,covalent,SING,C8,H39,,,,,20191,bmse001032,1
31,covalent,SING,C8,H40,,,,,20191,bmse001032,1
32,covalent,SING,C10,C15,,,,,20191,bmse001032,1
33,covalent,SING,C10,H43,,,,,20191,bmse001032,1
34,covalent,SING,C10,H44,,,,,20191,bmse001032,1
35,covalent,SING,C5,C6,,,,,20191,bmse001032,1
36,covalent,SING,C5,H33,,,,,20191,bmse001032,1
37,covalent,SING,C5,H34,,,,,20191,bmse001032,1
38,covalent,SING,C9,C12,,,,,20191,bmse001032,1
39,covalent,SING,C9,H41,,,,,20191,bmse001032,1
40,covalent,SING,C9,H42,,,,,20191,bmse001032,1
41,covalent,SING,C1,H25,,,,,20191,bmse001032,1
42,covalent,SING,C1,H23,,,,,20191,bmse001032,1
43,covalent,SING,C1,H24,,,,,20191,bmse001032,1
44,covalent,SING,C7,C12,,,,,20191,bmse001032,1
45,covalent,SING,C7,H37,,,,,20191,bmse001032,1
46,covalent,SING,C7,H38,,,,,20191,bmse001032,1
47,covalent,SING,C16,C6,,,,,20191,bmse001032,1
48,covalent,SING,C12,H46,,,,,20191,bmse001032,1
49,covalent,SING,C6,H35,,,,,20191,bmse001032,1
50,covalent,SING,C6,H36,,,,,20191,bmse001032,1
51,covalent,SING,C2,H26,,,,,20191,bmse001032,1
52,covalent,SING,C2,H27,,,,,20191,bmse001032,1
53,covalent,SING,C2,H28,,,,,20191,bmse001032,1
1,ester,SING,O9,C6,no,N,1,,20206,bmse001100,BMET001100
2,covalent,SING,O9,H11,no,N,2,,20206,bmse001100,BMET001100
3,carbonyl,DOUB,O10,C6,no,N,3,,20206,bmse001100,BMET001100
4,covalent,SING,N8,C5,no,N,4,,20206,bmse001100,BMET001100
5,covalent,SING,N8,C4,no,N,5,,20206,bmse001100,BMET001100
6,covalent,SING,N8,H16,no,N,6,,20206,bmse001100,BMET001100
7,covalent,SING,N7,C3,no,N,7,,20206,bmse001100,BMET001100
8,covalent,DOUB,N7,C4,no,N,8,,20206,bmse001100,BMET001100
9,covalent,SING,C5,C2,no,N,9,,20206,bmse001100,BMET001100
10,covalent,SING,C5,C6,no,N,10,,20206,bmse001100,BMET001100
11,covalent,SING,C5,H20,no,N,11,,20206,bmse001100,BMET001100
12,covalent,SING,C2,C3,no,N,12,,20206,bmse001100,BMET001100
13,covalent,SING,C2,H19,no,N,13,,20206,bmse001100,BMET001100
14,covalent,SING,C2,H18,no,N,14,,20206,bmse001100,BMET001100
15,covalent,SING,C3,H14,no,N,15,,20206,bmse001100,BMET001100
16,covalent,SING,C3,H15,no,N,16,,20206,bmse001100,BMET001100
17,covalent,SING,C4,C1,no,N,17,,20206,bmse001100,BMET001100
18,covalent,SING,C1,H17,no,N,18,,20206,bmse001100,BMET001100
19,covalent,SING,C1,H13,no,N,19,,20206,bmse001100,BMET001100
20,covalent,SING,C1,H12,no,N,20,,20206,bmse001100,BMET001100
1,carbonyl,DOUB,O17,C9,no,N,1,,20227,bmse001101,BMET001101
2,carbonyl,DOUB,O16,C7,no,N,2,,20227,bmse001101,BMET001101
3,covalent,SING,C14,C15,no,N,3,,20227,bmse001101,BMET001101
4,covalent,SING,C14,C12,no,N,4,,20227,bmse001101,BMET001101
5,covalent,SING,C14,C8,no,N,5,,20227,bmse001101,BMET001101
6,covalent,SING,C14,C3,no,N,6,,20227,bmse001101,BMET001101
7,covalent,SING,C15,C8,no,N,7,,20227,bmse001101,BMET001101
8,covalent,SING,C15,C11,no,N,8,,20227,bmse001101,BMET001101
9,covalent,SING,C15,C9,no,N,9,,20227,bmse001101,BMET001101
10,covalent,SING,C12,C10,no,N,10,,20227,bmse001101,BMET001101
11,covalent,SING,C12,C6,no,N,11,,20227,bmse001101,BMET001101
12,covalent,SING,C12,H37,no,N,12,,20227,bmse001101,BMET001101
13,covalent,SING,C8,H33,no,N,13,,20227,bmse001101,BMET001101
14,covalent,SING,C8,H34,no,N,14,,20227,bmse001101,BMET001101
15,covalent,SING,C10,C5,no,N,15,,20227,bmse001101,BMET001101
16,covalent,SING,C10,C4,no,N,16,,20227,bmse001101,BMET001101
17,covalent,SING,C10,H36,no,N,17,,20227,bmse001101,BMET001101
18,covalent,SING,C6,C13,no,N,18,,20227,bmse001101,BMET001101
19,covalent,SING,C6,H30,no,N,19,,20227,bmse001101,BMET001101
20,covalent,SING,C6,H31,no,N,20,,20227,bmse001101,BMET001101
21,covalent,SING,C13,C5,no,N,21,,20227,bmse001101,BMET001101
22,covalent,SING,C13,C1,no,N,22,,20227,bmse001101,BMET001101
23,covalent,SING,C13,C2,no,N,23,,20227,bmse001101,BMET001101
24,covalent,SING,C5,H28,no,N,24,,20227,bmse001101,BMET001101
25,covalent,SING,C5,H29,no,N,25,,20227,bmse001101,BMET001101
26,covalent,DOUB,C11,C4,no,N,26,,20227,bmse001101,BMET001101
27,covalent,SING,C11,C7,no,N,27,,20227,bmse001101,BMET001101
28,covalent,SING,C3,H25,no,N,28,,20227,bmse001101,BMET001101
29,covalent,SING,C3,H24,no,N,29,,20227,bmse001101,BMET001101
30,covalent,SING,C3,H26,no,N,30,,20227,bmse001101,BMET001101
31,covalent,SING,C4,H27,no,N,31,,20227,bmse001101,BMET001101
32,covalent,SING,C9,H35,no,N,32,,20227,bmse001101,BMET001101
33,covalent,SING,C1,H18,no,N,33,,20227,bmse001101,BMET001101
34,covalent,SING,C1,H20,no,N,34,,20227,bmse001101,BMET001101
35,covalent,SING,C1,H19,no,N,35,,20227,bmse001101,BMET001101
36,covalent,SING,C2,H21,no,N,36,,20227,bmse001101,BMET001101
37,covalent,SING,C2,H23,no,N,37,,20227,bmse001101,BMET001101
38,covalent,SING,C2,H22,no,N,38,,20227,bmse001101,BMET001101
39,covalent,SING,C7,H32,no,N,39,,20227,bmse001101,BMET001101
1,ester,SING,O19,C18,no,N,1,,20248,bmse001102,BMET001102
2,covalent,SING,O19,H22,no,N,2,,20248,bmse001102,BMET001102
3,carbonyl,DOUB,O20,C18,no,N,3,,20248,bmse001102,BMET001102
4,covalent,SING,C13,C12,no,N,4,,20248,bmse001102,BMET001102
5,covalent,SING,C13,C14,no,N,5,,20248,bmse001102,BMET001102
6,covalent,SING,C13,H54,no,N,6,,20248,bmse001102,BMET001102
7,covalent,SING,C13,H44,no,N,7,,20248,bmse001102,BMET001102
8,covalent,SING,C12,C11,no,N,8,,20248,bmse001102,BMET001102
9,covalent,SING,C12,H45,no,N,9,,20248,bmse001102,BMET001102
10,covalent,SING,C12,H42,no,N,10,,20248,bmse001102,BMET001102
11,covalent,SING,C14,C15,no,N,11,,20248,bmse001102,BMET001102
12,covalent,SING,C14,H43,no,N,12,,20248,bmse001102,BMET001102
13,covalent,SING,C14,H46,no,N,13,,20248,bmse001102,BMET001102
14,covalent,SING,C11,C10,no,N,14,,20248,bmse001102,BMET001102
15,covalent,SING,C11,H47,no,N,15,,20248,bmse001102,BMET001102
16,covalent,SING,C11,H40,no,N,16,,20248,bmse001102,BMET001102
17,covalent,SING,C15,C16,no,N,17,,20248,bmse001102,BMET001102
18,covalent,SING,C15,H41,no,N,18,,20248,bmse001102,BMET001102
19,covalent,SING,C15,H48,no,N,19,,20248,bmse001102,BMET001102
20,covalent,SING,C10,C9,no,N,20,,20248,bmse001102,BMET001102
21,covalent,SING,C10,H49,no,N,21,,20248,bmse001102,BMET001102
22,covalent,SING,C10,H38,no,N,22,,20248,bmse001102,BMET001102
23,covalent,SING,C16,C17,no,N,23,,20248,bmse001102,BMET001102
24,covalent,SING,C16,H39,no,N,24,,20248,bmse001102,BMET001102
25,covalent,SING,C16,H50,no,N,25,,20248,bmse001102,BMET001102
26,covalent,SING,C9,C8,no,N,26,,20248,bmse001102,BMET001102
27,covalent,SING,C9,H51,no,N,27,,20248,bmse001102,BMET001102
28,covalent,SING,C9,H36,no,N,28,,20248,bmse001102,BMET001102
29,covalent,SING,C5,C4,no,N,29,,20248,bmse001102,BMET001102
30,covalent,SING,C5,C6,no,N,30,,20248,bmse001102,BMET001102
31,covalent,SING,C5,H37,no,N,31,,20248,bmse001102,BMET001102
32,covalent,SING,C5,H30,no,N,32,,20248,bmse001102,BMET001102
33,covalent,SING,C4,C3,no,N,33,,20248,bmse001102,BMET001102
34,covalent,SING,C4,H31,no,N,34,,20248,bmse001102,BMET001102
35,covalent,SING,C4,H28,no,N,35,,20248,bmse001102,BMET001102
36,covalent,SING,C6,C7,no,N,36,,20248,bmse001102,BMET001102
37,covalent,SING,C6,H29,no,N,37,,20248,bmse001102,BMET001102
38,covalent,SING,C6,H32,no,N,38,,20248,bmse001102,BMET001102
39,covalent,SING,C3,C2,no,N,39,,20248,bmse001102,BMET001102
40,covalent,SING,C3,H33,no,N,40,,20248,bmse001102,BMET001102
41,covalent,SING,C3,H26,no,N,41,,20248,bmse001102,BMET001102
42,covalent,DOUB,C8,C7,no,Z,42,,20248,bmse001102,BMET001102
43,covalent,SING,C8,H27,no,N,43,,20248,bmse001102,BMET001102
44,covalent,SING,C17,C18,no,N,44,,20248,bmse001102,BMET001102
45,covalent,SING,C17,H35,no,N,45,,20248,bmse001102,BMET001102
46,covalent,SING,C17,H52,no,N,46,,20248,bmse001102,BMET001102
47,covalent,SING,C7,H53,no,N,47,,20248,bmse001102,BMET001102
48,covalent,SING,C2,C1,no,N,48,,20248,bmse001102,BMET001102
49,covalent,SING,C2,H34,no,N,49,,20248,bmse001102,BMET001102
50,covalent,SING,C2,H24,no,N,50,,20248,bmse001102,BMET001102
51,covalent,SING,C1,H25,no,N,51,,20248,bmse001102,BMET001102
52,covalent,SING,C1,H21,no,N,52,,20248,bmse001102,BMET001102
53,covalent,SING,C1,H23,no,N,53,,20248,bmse001102,BMET001102
1,covalent,AROM,O19,C14,yes,N,1,,20269,bmse001103,BMET001103
2,covalent,AROM,O19,C13,yes,N,2,,20269,bmse001103,BMET001103
3,covalent,SING,O17,C11,no,N,3,,20269,bmse001103,BMET001103
4,covalent,SING,O17,H22,no,N,4,,20269,bmse001103,BMET001103
5,carbonyl,DOUB,O18,C12,no,N,5,,20269,bmse001103,BMET001103
6,covalent,SING,O16,C10,no,N,6,,20269,bmse001103,BMET001103
7,covalent,SING,O16,H20,no,N,7,,20269,bmse001103,BMET001103
8,covalent,AROM,C15,C14,yes,N,8,,20269,bmse001103,BMET001103
9,covalent,AROM,C15,C12,yes,N,9,,20269,bmse001103,BMET001103
10,covalent,AROM,C15,C11,yes,N,10,,20269,bmse001103,BMET001103
11,covalent,AROM,C14,C7,yes,N,11,,20269,bmse001103,BMET001103
12,covalent,SING,C13,C9,no,N,12,,20269,bmse001103,BMET001103
13,covalent,AROM,C13,C8,yes,N,13,,20269,bmse001103,BMET001103
14,covalent,AROM,C12,C8,yes,N,14,,20269,bmse001103,BMET001103
15,covalent,AROM,C9,C4,yes,N,15,,20269,bmse001103,BMET001103
16,covalent,AROM,C9,C5,yes,N,16,,20269,bmse001103,BMET001103
17,covalent,AROM,C11,C6,yes,N,17,,20269,bmse001103,BMET001103
18,covalent,SING,C8,H29,no,N,18,,20269,bmse001103,BMET001103
19,covalent,AROM,C7,C10,yes,N,19,,20269,bmse001103,BMET001103
20,covalent,SING,C7,H28,no,N,20,,20269,bmse001103,BMET001103
21,covalent,AROM,C10,C6,yes,N,21,,20269,bmse001103,BMET001103
22,covalent,SING,C6,H27,no,N,22,,20269,bmse001103,BMET001103
23,covalent,AROM,C4,C2,yes,N,23,,20269,bmse001103,BMET001103
24,covalent,SING,C4,H26,no,N,24,,20269,bmse001103,BMET001103
25,covalent,AROM,C5,C3,yes,N,25,,20269,bmse001103,BMET001103
26,covalent,SING,C5,H25,no,N,26,,20269,bmse001103,BMET001103
27,covalent,AROM,C2,C1,yes,N,27,,20269,bmse001103,BMET001103
28,covalent,SING,C2,H23,no,N,28,,20269,bmse001103,BMET001103
29,covalent,AROM,C3,C1,yes,N,29,,20269,bmse001103,BMET001103
30,covalent,SING,C3,H24,no,N,30,,20269,bmse001103,BMET001103
31,covalent,SING,C1,H21,no,N,31,,20269,bmse001103,BMET001103
1,covalent,SING,O14,C10,no,N,1,,20290,bmse001104,BMET001104
2,ester,SING,O14,C12,no,N,2,,20290,bmse001104,BMET001104
3,carbonyl,DOUB,O13,C12,no,N,3,,20290,bmse001104,BMET001104
4,covalent,SING,C3,C7,no,N,4,,20290,bmse001104,BMET001104
5,covalent,SING,C3,C2,no,N,5,,20290,bmse001104,BMET001104
6,covalent,SING,C3,H20,no,N,6,,20290,bmse001104,BMET001104
7,covalent,SING,C3,H21,no,N,7,,20290,bmse001104,BMET001104
8,covalent,SING,C7,C10,no,N,8,,20290,bmse001104,BMET001104
9,covalent,SING,C7,H25,no,N,9,,20290,bmse001104,BMET001104
10,covalent,SING,C7,H26,no,N,10,,20290,bmse001104,BMET001104
11,covalent,SING,C2,C1,no,N,11,,20290,bmse001104,BMET001104
12,covalent,SING,C2,H18,no,N,12,,20290,bmse001104,BMET001104
13,covalent,SING,C2,H19,no,N,13,,20290,bmse001104,BMET001104
14,covalent,SING,C10,H29,no,N,14,,20290,bmse001104,BMET001104
15,covalent,SING,C10,H30,no,N,15,,20290,bmse001104,BMET001104
16,covalent,SING,C1,H16,no,N,16,,20290,bmse001104,BMET001104
17,covalent,SING,C1,H15,no,N,17,,20290,bmse001104,BMET001104
18,covalent,SING,C1,H17,no,N,18,,20290,bmse001104,BMET001104
19,covalent,SING,C12,C11,no,N,19,,20290,bmse001104,BMET001104
20,covalent,AROM,C11,C8,yes,N,20,,20290,bmse001104,BMET001104
21,covalent,AROM,C11,C9,yes,N,21,,20290,bmse001104,BMET001104
22,covalent,AROM,C8,C5,yes,N,22,,20290,bmse001104,BMET001104
23,covalent,SING,C8,H27,no,N,23,,20290,bmse001104,BMET001104
24,covalent,AROM,C9,C6,yes,N,24,,20290,bmse001104,BMET001104
25,covalent,SING,C9,H28,no,N,25,,20290,bmse001104,BMET001104
26,covalent,AROM,C5,C4,yes,N,26,,20290,bmse001104,BMET001104
27,covalent,SING,C5,H23,no,N,27,,20290,bmse001104,BMET001104
28,covalent,AROM,C6,C4,yes,N,28,,20290,bmse001104,BMET001104
29,covalent,SING,C6,H24,no,N,29,,20290,bmse001104,BMET001104
30,covalent,SING,C4,H22,no,N,30,,20290,bmse001104,BMET001104
1,covalent,SING,P99,O95,no,N,1,,20311,bmse001105,BMET001105
2,covalent,SING,P99,O93,no,N,2,,20311,bmse001105,BMET001105
3,covalent,SING,P99,O87,no,N,3,,20311,bmse001105,BMET001105
4,covalent,DOUB,P99,O88,no,N,4,,20311,bmse001105,BMET001105
5,covalent,SING,P100,O96,no,N,5,,20311,bmse001105,BMET001105
6,covalent,SING,P100,O94,no,N,6,,20311,bmse001105,BMET001105
7,covalent,SING,P100,O89,no,N,7,,20311,bmse001105,BMET001105
8,covalent,DOUB,P100,O90,no,N,8,,20311,bmse001105,BMET001105
9,covalent,SING,C76,O97,no,N,9,,20311,bmse001105,BMET001105
10,ester,SING,O97,C80,no,N,10,,20311,bmse001105,BMET001105
11,covalent,SING,C77,O98,no,N,11,,20311,bmse001105,BMET001105
12,ester,SING,O98,C81,no,N,12,,20311,bmse001105,BMET001105
13,ester,SING,O91,C78,no,N,13,,20311,bmse001105,BMET001105
14,covalent,SING,O91,C71,no,N,14,,20311,bmse001105,BMET001105
15,ester,SING,O92,C79,no,N,15,,20311,bmse001105,BMET001105
16,covalent,SING,O92,C72,no,N,16,,20311,bmse001105,BMET001105
17,covalent,SING,O95,C73,no,N,17,,20311,bmse001105,BMET001105
18,covalent,SING,O96,C74,no,N,18,,20311,bmse001105,BMET001105
19,carbonyl,DOUB,O85,C80,no,N,19,,20311,bmse001105,BMET001105
20,carbonyl,DOUB,O86,C81,no,N,20,,20311,bmse001105,BMET001105
21,carbonyl,DOUB,O83,C78,no,N,21,,20311,bmse001105,BMET001105
22,carbonyl,DOUB,O84,C79,no,N,22,,20311,bmse001105,BMET001105
23,covalent,SING,O93,C69,no,N,23,,20311,bmse001105,BMET001105
24,covalent,SING,O94,C70,no,N,24,,20311,bmse001105,BMET001105
25,covalent,SING,O87,H234,no,N,25,,20311,bmse001105,BMET001105
26,covalent,SING,O89,H235,no,N,26,,20311,bmse001105,BMET001105
27,covalent,SING,O82,C75,no,N,27,,20311,bmse001105,BMET001105
28,covalent,SING,O82,H236,no,N,28,,20311,bmse001105,BMET001105
29,covalent,SING,C55,C51,no,N,29,,20311,bmse001105,BMET001105
30,covalent,SING,C55,C59,no,N,30,,20311,bmse001105,BMET001105
31,covalent,SING,C55,H249,no,N,31,,20311,bmse001105,BMET001105
32,covalent,SING,C55,H250,no,N,32,,20311,bmse001105,BMET001105
33,covalent,SING,C56,C52,no,N,33,,20311,bmse001105,BMET001105
34,covalent,SING,C56,C60,no,N,34,,20311,bmse001105,BMET001105
35,covalent,SING,C56,H248,no,N,35,,20311,bmse001105,BMET001105
36,covalent,SING,C56,H205,no,N,36,,20311,bmse001105,BMET001105
37,covalent,SING,C51,C47,no,N,37,,20311,bmse001105,BMET001105
38,covalent,SING,C51,H206,no,N,38,,20311,bmse001105,BMET001105
39,covalent,SING,C51,H207,no,N,39,,20311,bmse001105,BMET001105
40,covalent,SING,C52,C48,no,N,40,,20311,bmse001105,BMET001105
41,covalent,SING,C52,H208,no,N,41,,20311,bmse001105,BMET001105
42,covalent,SING,C52,H197,no,N,42,,20311,bmse001105,BMET001105
43,covalent,SING,C19,C23,no,N,43,,20311,bmse001105,BMET001105
44,covalent,SING,C19,C15,no,N,44,,20311,bmse001105,BMET001105
45,covalent,SING,C19,H198,no,N,45,,20311,bmse001105,BMET001105
46,covalent,SING,C19,H199,no,N,46,,20311,bmse001105,BMET001105
47,covalent,SING,C20,C24,no,N,47,,20311,bmse001105,BMET001105
48,covalent,SING,C20,C16,no,N,48,,20311,bmse001105,BMET001105
49,covalent,SING,C20,H200,no,N,49,,20311,bmse001105,BMET001105
50,covalent,SING,C20,H141,no,N,50,,20311,bmse001105,BMET001105
51,covalent,SING,C23,C27,no,N,51,,20311,bmse001105,BMET001105
52,covalent,SING,C23,H142,no,N,52,,20311,bmse001105,BMET001105
53,covalent,SING,C23,H143,no,N,53,,20311,bmse001105,BMET001105
54,covalent,SING,C24,C28,no,N,54,,20311,bmse001105,BMET001105
55,covalent,SING,C24,H144,no,N,55,,20311,bmse001105,BMET001105
56,covalent,SING,C24,H149,no,N,56,,20311,bmse001105,BMET001105
57,covalent,SING,C53,C49,no,N,57,,20311,bmse001105,BMET001105
58,covalent,SING,C53,C57,no,N,58,,20311,bmse001105,BMET001105
59,covalent,SING,C53,H150,no,N,59,,20311,bmse001105,BMET001105
60,covalent,SING,C53,H151,no,N,60,,20311,bmse001105,BMET001105
61,covalent,SING,C54,C50,no,N,61,,20311,bmse001105,BMET001105
62,covalent,SING,C54,C58,no,N,62,,20311,bmse001105,BMET001105
63,covalent,SING,C54,H152,no,N,63,,20311,bmse001105,BMET001105
64,covalent,SING,C54,H201,no,N,64,,20311,bmse001105,BMET001105
65,covalent,SING,C49,C45,no,N,65,,20311,bmse001105,BMET001105
66,covalent,SING,C49,H202,no,N,66,,20311,bmse001105,BMET001105
67,covalent,SING,C49,H203,no,N,67,,20311,bmse001105,BMET001105
68,covalent,SING,C50,C46,no,N,68,,20311,bmse001105,BMET001105
69,covalent,SING,C50,H204,no,N,69,,20311,bmse001105,BMET001105
70,covalent,SING,C50,H193,no,N,70,,20311,bmse001105,BMET001105
71,covalent,SING,C17,C21,no,N,71,,20311,bmse001105,BMET001105
72,covalent,SING,C17,C13,no,N,72,,20311,bmse001105,BMET001105
73,covalent,SING,C17,H194,no,N,73,,20311,bmse001105,BMET001105
74,covalent,SING,C17,H195,no,N,74,,20311,bmse001105,BMET001105
75,covalent,SING,C18,C22,no,N,75,,20311,bmse001105,BMET001105
76,covalent,SING,C18,C14,no,N,76,,20311,bmse001105,BMET001105
77,covalent,SING,C18,H196,no,N,77,,20311,bmse001105,BMET001105
78,covalent,SING,C18,H137,no,N,78,,20311,bmse001105,BMET001105
79,covalent,SING,C59,C63,no,N,79,,20311,bmse001105,BMET001105
80,covalent,SING,C59,H138,no,N,80,,20311,bmse001105,BMET001105
81,covalent,SING,C59,H139,no,N,81,,20311,bmse001105,BMET001105
82,covalent,SING,C60,C64,no,N,82,,20311,bmse001105,BMET001105
83,covalent,SING,C60,H140,no,N,83,,20311,bmse001105,BMET001105
84,covalent,SING,C60,H213,no,N,84,,20311,bmse001105,BMET001105
85,covalent,SING,C21,C25,no,N,85,,20311,bmse001105,BMET001105
86,covalent,SING,C21,H214,no,N,86,,20311,bmse001105,BMET001105
87,covalent,SING,C21,H215,no,N,87,,20311,bmse001105,BMET001105
88,covalent,SING,C22,C26,no,N,88,,20311,bmse001105,BMET001105
89,covalent,SING,C22,H216,no,N,89,,20311,bmse001105,BMET001105
90,covalent,SING,C22,H145,no,N,90,,20311,bmse001105,BMET001105
91,covalent,SING,C47,C43,no,N,91,,20311,bmse001105,BMET001105
92,covalent,SING,C47,H146,no,N,92,,20311,bmse001105,BMET001105
93,covalent,SING,C47,H147,no,N,93,,20311,bmse001105,BMET001105
94,covalent,SING,C48,C44,no,N,94,,20311,bmse001105,BMET001105
95,covalent,SING,C48,H148,no,N,95,,20311,bmse001105,BMET001105
96,covalent,SING,C48,H189,no,N,96,,20311,bmse001105,BMET001105
97,covalent,SING,C15,C11,no,N,97,,20311,bmse001105,BMET001105
98,covalent,SING,C15,H190,no,N,98,,20311,bmse001105,BMET001105
99,covalent,SING,C15,H191,no,N,99,,20311,bmse001105,BMET001105
100,covalent,SING,C16,C12,no,N,100,,20311,bmse001105,BMET001105
101,covalent,SING,C16,H192,no,N,101,,20311,bmse001105,BMET001105
102,covalent,SING,C16,H133,no,N,102,,20311,bmse001105,BMET001105
103,covalent,SING,C27,C31,no,N,103,,20311,bmse001105,BMET001105
104,covalent,SING,C27,H134,no,N,104,,20311,bmse001105,BMET001105
105,covalent,SING,C27,H135,no,N,105,,20311,bmse001105,BMET001105
106,covalent,SING,C28,C32,no,N,106,,20311,bmse001105,BMET001105
107,covalent,SING,C28,H136,no,N,107,,20311,bmse001105,BMET001105
108,covalent,SING,C28,H157,no,N,108,,20311,bmse001105,BMET001105
109,covalent,SING,C57,C61,no,N,109,,20311,bmse001105,BMET001105
110,covalent,SING,C57,H158,no,N,110,,20311,bmse001105,BMET001105
111,covalent,SING,C57,H159,no,N,111,,20311,bmse001105,BMET001105
112,covalent,SING,C58,C62,no,N,112,,20311,bmse001105,BMET001105
113,covalent,SING,C58,H160,no,N,113,,20311,bmse001105,BMET001105
114,covalent,SING,C58,H209,no,N,114,,20311,bmse001105,BMET001105
115,covalent,SING,C45,C41,no,N,115,,20311,bmse001105,BMET001105
116,covalent,SING,C45,H210,no,N,116,,20311,bmse001105,BMET001105
117,covalent,SING,C45,H211,no,N,117,,20311,bmse001105,BMET001105
118,covalent,SING,C46,C42,no,N,118,,20311,bmse001105,BMET001105
119,covalent,SING,C46,H212,no,N,119,,20311,bmse001105,BMET001105
120,covalent,SING,C46,H185,no,N,120,,20311,bmse001105,BMET001105
121,covalent,SING,C13,C9,no,N,121,,20311,bmse001105,BMET001105
122,covalent,SING,C13,H186,no,N,122,,20311,bmse001105,BMET001105
123,covalent,SING,C13,H187,no,N,123,,20311,bmse001105,BMET001105
124,covalent,SING,C14,C10,no,N,124,,20311,bmse001105,BMET001105
125,covalent,SING,C14,H188,no,N,125,,20311,bmse001105,BMET001105
126,covalent,SING,C14,H129,no,N,126,,20311,bmse001105,BMET001105
127,covalent,SING,C25,C29,no,N,127,,20311,bmse001105,BMET001105
128,covalent,SING,C25,H130,no,N,128,,20311,bmse001105,BMET001105
129,covalent,SING,C25,H131,no,N,129,,20311,bmse001105,BMET001105
130,covalent,SING,C26,C30,no,N,130,,20311,bmse001105,BMET001105
131,covalent,SING,C26,H132,no,N,131,,20311,bmse001105,BMET001105
132,covalent,SING,C26,H153,no,N,132,,20311,bmse001105,BMET001105
133,covalent,SING,C63,C67,no,N,133,,20311,bmse001105,BMET001105
134,covalent,SING,C63,H154,no,N,134,,20311,bmse001105,BMET001105
135,covalent,SING,C63,H155,no,N,135,,20311,bmse001105,BMET001105
136,covalent,SING,C64,C68,no,N,136,,20311,bmse001105,BMET001105
137,covalent,SING,C64,H156,no,N,137,,20311,bmse001105,BMET001105
138,covalent,SING,C64,H221,no,N,138,,20311,bmse001105,BMET001105
139,covalent,SING,C43,C39,no,N,139,,20311,bmse001105,BMET001105
140,covalent,SING,C43,H222,no,N,140,,20311,bmse001105,BMET001105
141,covalent,SING,C43,H223,no,N,141,,20311,bmse001105,BMET001105
142,covalent,SING,C44,C40,no,N,142,,20311,bmse001105,BMET001105
143,covalent,SING,C44,H224,no,N,143,,20311,bmse001105,BMET001105
144,covalent,SING,C44,H181,no,N,144,,20311,bmse001105,BMET001105
145,covalent,SING,C11,C7,no,N,145,,20311,bmse001105,BMET001105
146,covalent,SING,C11,H182,no,N,146,,20311,bmse001105,BMET001105
147,covalent,SING,C11,H183,no,N,147,,20311,bmse001105,BMET001105
148,covalent,SING,C12,C8,no,N,148,,20311,bmse001105,BMET001105
149,covalent,SING,C12,H184,no,N,149,,20311,bmse001105,BMET001105
150,covalent,SING,C12,H125,no,N,150,,20311,bmse001105,BMET001105
151,covalent,SING,C31,C35,no,N,151,,20311,bmse001105,BMET001105
152,covalent,SING,C31,H128,no,N,152,,20311,bmse001105,BMET001105
153,covalent,SING,C31,H165,no,N,153,,20311,bmse001105,BMET001105
154,covalent,SING,C32,C36,no,N,154,,20311,bmse001105,BMET001105
155,covalent,SING,C32,H168,no,N,155,,20311,bmse001105,BMET001105
156,covalent,SING,C32,H217,no,N,156,,20311,bmse001105,BMET001105
157,covalent,SING,C61,C65,no,N,157,,20311,bmse001105,BMET001105
158,covalent,SING,C61,H126,no,N,158,,20311,bmse001105,BMET001105
159,covalent,SING,C61,H127,no,N,159,,20311,bmse001105,BMET001105
160,covalent,SING,C62,C66,no,N,160,,20311,bmse001105,BMET001105
161,covalent,SING,C62,H166,no,N,161,,20311,bmse001105,BMET001105
162,covalent,SING,C62,H167,no,N,162,,20311,bmse001105,BMET001105
163,covalent,SING,C9,C5,no,N,163,,20311,bmse001105,BMET001105
164,covalent,SING,C9,H218,no,N,164,,20311,bmse001105,BMET001105
165,covalent,SING,C9,H219,no,N,165,,20311,bmse001105,BMET001105
166,covalent,SING,C10,C6,no,N,166,,20311,bmse001105,BMET001105
167,covalent,SING,C10,H220,no,N,167,,20311,bmse001105,BMET001105
168,covalent,SING,C10,H121,no,N,168,,20311,bmse001105,BMET001105
169,covalent,SING,C41,C37,no,N,169,,20311,bmse001105,BMET001105
170,covalent,SING,C41,H122,no,N,170,,20311,bmse001105,BMET001105
171,covalent,SING,C41,H123,no,N,171,,20311,bmse001105,BMET001105
172,covalent,SING,C42,C38,no,N,172,,20311,bmse001105,BMET001105
173,covalent,SING,C42,H124,no,N,173,,20311,bmse001105,BMET001105
174,covalent,SING,C42,H177,no,N,174,,20311,bmse001105,BMET001105
175,covalent,SING,C29,C33,no,N,175,,20311,bmse001105,BMET001105
176,covalent,SING,C29,H178,no,N,176,,20311,bmse001105,BMET001105
177,covalent,SING,C29,H179,no,N,177,,20311,bmse001105,BMET001105
178,covalent,SING,C30,C34,no,N,178,,20311,bmse001105,BMET001105
179,covalent,SING,C30,H180,no,N,179,,20311,bmse001105,BMET001105
180,covalent,SING,C30,H161,no,N,180,,20311,bmse001105,BMET001105
181,covalent,SING,C67,C80,no,N,181,,20311,bmse001105,BMET001105
182,covalent,SING,C67,H162,no,N,182,,20311,bmse001105,BMET001105
183,covalent,SING,C67,H163,no,N,183,,20311,bmse001105,BMET001105
184,covalent,SING,C68,C81,no,N,184,,20311,bmse001105,BMET001105
185,covalent,SING,C68,H164,no,N,185,,20311,bmse001105,BMET001105
186,covalent,SING,C68,H229,no,N,186,,20311,bmse001105,BMET001105
187,covalent,DOUB,C39,C35,no,Z,187,,20311,bmse001105,BMET001105
188,covalent,SING,C39,H230,no,N,188,,20311,bmse001105,BMET001105
189,covalent,DOUB,C40,C36,no,Z,189,,20311,bmse001105,BMET001105
190,covalent,SING,C40,H231,no,N,190,,20311,bmse001105,BMET001105
191,covalent,SING,C7,C3,no,N,191,,20311,bmse001105,BMET001105
192,covalent,SING,C7,H232,no,N,192,,20311,bmse001105,BMET001105
193,covalent,SING,C7,H175,no,N,193,,20311,bmse001105,BMET001105
194,covalent,SING,C8,C4,no,N,194,,20311,bmse001105,BMET001105
195,covalent,SING,C8,H176,no,N,195,,20311,bmse001105,BMET001105
196,covalent,SING,C8,H117,no,N,196,,20311,bmse001105,BMET001105
197,covalent,SING,C65,C78,no,N,197,,20311,bmse001105,BMET001105
198,covalent,SING,C65,H118,no,N,198,,20311,bmse001105,BMET001105
199,covalent,SING,C65,H119,no,N,199,,20311,bmse001105,BMET001105
200,covalent,SING,C66,C79,no,N,200,,20311,bmse001105,BMET001105
201,covalent,SING,C66,H120,no,N,201,,20311,bmse001105,BMET001105
202,covalent,SING,C66,H225,no,N,202,,20311,bmse001105,BMET001105
203,covalent,SING,C35,H226,no,N,203,,20311,bmse001105,BMET001105
204,covalent,SING,C36,H227,no,N,204,,20311,bmse001105,BMET001105
205,covalent,SING,C5,C1,no,N,205,,20311,bmse001105,BMET001105
206,covalent,SING,C5,H228,no,N,206,,20311,bmse001105,BMET001105
207,covalent,SING,C5,H171,no,N,207,,20311,bmse001105,BMET001105
208,covalent,SING,C6,C2,no,N,208,,20311,bmse001105,BMET001105
209,covalent,SING,C6,H172,no,N,209,,20311,bmse001105,BMET001105
210,covalent,SING,C6,H113,no,N,210,,20311,bmse001105,BMET001105
211,covalent,DOUB,C37,C33,no,Z,211,,20311,bmse001105,BMET001105
212,covalent,SING,C37,H114,no,N,212,,20311,bmse001105,BMET001105
213,covalent,DOUB,C38,C34,no,Z,213,,20311,bmse001105,BMET001105
214,covalent,SING,C38,H115,no,N,214,,20311,bmse001105,BMET001105
215,covalent,SING,C33,H116,no,N,215,,20311,bmse001105,BMET001105
216,covalent,SING,C34,H173,no,N,216,,20311,bmse001105,BMET001105
217,covalent,SING,C76,C71,no,N,217,,20311,bmse001105,BMET001105
218,covalent,SING,C76,C73,no,N,218,,20311,bmse001105,BMET001105
219,covalent,SING,C76,H174,no,N,219,,20311,bmse001105,BMET001105
220,covalent,SING,C77,C72,no,N,220,,20311,bmse001105,BMET001105
221,covalent,SING,C77,C74,no,N,221,,20311,bmse001105,BMET001105
222,covalent,SING,C77,H169,no,N,222,,20311,bmse001105,BMET001105
223,covalent,SING,C3,H170,no,N,223,,20311,bmse001105,BMET001105
224,covalent,SING,C3,H246,no,N,224,,20311,bmse001105,BMET001105
225,covalent,SING,C3,H247,no,N,225,,20311,bmse001105,BMET001105
226,covalent,SING,C4,H108,no,N,226,,20311,bmse001105,BMET001105
227,covalent,SING,C4,H107,no,N,227,,20311,bmse001105,BMET001105
228,covalent,SING,C4,H109,no,N,228,,20311,bmse001105,BMET001105
229,covalent,SING,C1,H111,no,N,229,,20311,bmse001105,BMET001105
230,covalent,SING,C1,H112,no,N,230,,20311,bmse001105,BMET001105
231,covalent,SING,C1,H110,no,N,231,,20311,bmse001105,BMET001105
232,covalent,SING,C2,H101,no,N,232,,20311,bmse001105,BMET001105
233,covalent,SING,C2,H102,no,N,233,,20311,bmse001105,BMET001105
234,covalent,SING,C2,H103,no,N,234,,20311,bmse001105,BMET001105
235,covalent,SING,C71,H106,no,N,235,,20311,bmse001105,BMET001105
236,covalent,SING,C71,H105,no,N,236,,20311,bmse001105,BMET001105
237,covalent,SING,C72,H104,no,N,237,,20311,bmse001105,BMET001105
238,covalent,SING,C72,H237,no,N,238,,20311,bmse001105,BMET001105
239,covalent,SING,C73,H238,no,N,239,,20311,bmse001105,BMET001105
240,covalent,SING,C73,H239,no,N,240,,20311,bmse001105,BMET001105
241,covalent,SING,C74,H240,no,N,241,,20311,bmse001105,BMET001105
242,covalent,SING,C74,H241,no,N,242,,20311,bmse001105,BMET001105
243,covalent,SING,C75,C69,no,N,243,,20311,bmse001105,BMET001105
244,covalent,SING,C75,C70,no,N,244,,20311,bmse001105,BMET001105
245,covalent,SING,C75,H242,no,N,245,,20311,bmse001105,BMET001105
246,covalent,SING,C69,H243,no,N,246,,20311,bmse001105,BMET001105
247,covalent,SING,C69,H244,no,N,247,,20311,bmse001105,BMET001105
248,covalent,SING,C70,H245,no,N,248,,20311,bmse001105,BMET001105
249,covalent,SING,C70,H233,no,N,249,,20311,bmse001105,BMET001105
1,covalent,AROM,N45,C33,yes,N,1,,20332,bmse001106,BMET001106
2,covalent,AROM,N45,C35,yes,N,2,,20332,bmse001106,BMET001106
3,covalent,AROM,N48,C38,yes,N,3,,20332,bmse001106,BMET001106
4,covalent,AROM,N48,C40,yes,N,4,,20332,bmse001106,BMET001106
5,covalent,DOUB,N46,C34,no,N,5,,20332,bmse001106,BMET001106
6,covalent,SING,N46,C36,no,N,6,,20332,bmse001106,BMET001106
7,covalent,DOUB,N47,C37,no,N,7,,20332,bmse001106,BMET001106
8,covalent,SING,N47,C39,no,N,8,,20332,bmse001106,BMET001106
9,covalent,DOUB,C33,C41,no,N,9,,20332,bmse001106,BMET001106
10,covalent,AROM,C33,C21,yes,N,10,,20332,bmse001106,BMET001106
11,covalent,DOUB,C35,C42,no,N,11,,20332,bmse001106,BMET001106
12,covalent,AROM,C35,C23,yes,N,12,,20332,bmse001106,BMET001106
13,covalent,SING,C38,C43,no,N,13,,20332,bmse001106,BMET001106
14,covalent,AROM,C38,C26,yes,N,14,,20332,bmse001106,BMET001106
15,covalent,SING,C40,C44,no,N,15,,20332,bmse001106,BMET001106
16,covalent,AROM,C40,C28,yes,N,16,,20332,bmse001106,BMET001106
17,covalent,SING,C42,C37,no,N,17,,20332,bmse001106,BMET001106
18,covalent,SING,C42,C30,no,N,18,,20332,bmse001106,BMET001106
19,covalent,SING,C41,C34,no,N,19,,20332,bmse001106,BMET001106
20,covalent,SING,C41,C29,no,N,20,,20332,bmse001106,BMET001106
21,covalent,DOUB,C44,C39,no,N,21,,20332,bmse001106,BMET001106
22,covalent,SING,C44,C32,no,N,22,,20332,bmse001106,BMET001106
23,covalent,DOUB,C43,C36,no,N,23,,20332,bmse001106,BMET001106
24,covalent,SING,C43,C31,no,N,24,,20332,bmse001106,BMET001106
25,covalent,AROM,C23,C21,yes,N,25,,20332,bmse001106,BMET001106
26,covalent,SING,C23,H69,no,N,26,,20332,bmse001106,BMET001106
27,covalent,SING,C21,H71,no,N,27,,20332,bmse001106,BMET001106
28,covalent,AROM,C28,C26,yes,N,28,,20332,bmse001106,BMET001106
29,covalent,SING,C28,H74,no,N,29,,20332,bmse001106,BMET001106
30,covalent,SING,C26,H76,no,N,30,,20332,bmse001106,BMET001106
31,covalent,SING,C37,C25,no,N,31,,20332,bmse001106,BMET001106
32,covalent,SING,C34,C22,no,N,32,,20332,bmse001106,BMET001106
33,covalent,SING,C39,C27,no,N,33,,20332,bmse001106,BMET001106
34,covalent,SING,C36,C24,no,N,34,,20332,bmse001106,BMET001106
35,covalent,AROM,C29,C13,yes,N,35,,20332,bmse001106,BMET001106
36,covalent,AROM,C29,C14,yes,N,36,,20332,bmse001106,BMET001106
37,covalent,AROM,C30,C15,yes,N,37,,20332,bmse001106,BMET001106
38,covalent,AROM,C30,C16,yes,N,38,,20332,bmse001106,BMET001106
39,covalent,AROM,C31,C17,yes,N,39,,20332,bmse001106,BMET001106
40,covalent,AROM,C31,C18,yes,N,40,,20332,bmse001106,BMET001106
41,covalent,AROM,C32,C19,yes,N,41,,20332,bmse001106,BMET001106
42,covalent,AROM,C32,C20,yes,N,42,,20332,bmse001106,BMET001106
43,covalent,DOUB,C22,C24,no,N,43,,20332,bmse001106,BMET001106
44,covalent,SING,C22,H73,no,N,44,,20332,bmse001106,BMET001106
45,covalent,DOUB,C25,C27,no,N,45,,20332,bmse001106,BMET001106
46,covalent,SING,C25,H70,no,N,46,,20332,bmse001106,BMET001106
47,covalent,SING,C24,H75,no,N,47,,20332,bmse001106,BMET001106
48,covalent,SING,C27,H72,no,N,48,,20332,bmse001106,BMET001106
49,covalent,AROM,C13,C5,yes,N,49,,20332,bmse001106,BMET001106
50,covalent,SING,C13,H63,no,N,50,,20332,bmse001106,BMET001106
51,covalent,AROM,C15,C7,yes,N,51,,20332,bmse001106,BMET001106
52,covalent,SING,C15,H61,no,N,52,,20332,bmse001106,BMET001106
53,covalent,AROM,C14,C6,yes,N,53,,20332,bmse001106,BMET001106
54,covalent,SING,C14,H64,no,N,54,,20332,bmse001106,BMET001106
55,covalent,AROM,C16,C8,yes,N,55,,20332,bmse001106,BMET001106
56,covalent,SING,C16,H62,no,N,56,,20332,bmse001106,BMET001106
57,covalent,AROM,C17,C9,yes,N,57,,20332,bmse001106,BMET001106
58,covalent,SING,C17,H67,no,N,58,,20332,bmse001106,BMET001106
59,covalent,AROM,C19,C11,yes,N,59,,20332,bmse001106,BMET001106
60,covalent,SING,C19,H65,no,N,60,,20332,bmse001106,BMET001106
61,covalent,AROM,C18,C10,yes,N,61,,20332,bmse001106,BMET001106
62,covalent,SING,C18,H68,no,N,62,,20332,bmse001106,BMET001106
63,covalent,AROM,C20,C12,yes,N,63,,20332,bmse001106,BMET001106
64,covalent,SING,C20,H66,no,N,64,,20332,bmse001106,BMET001106
65,covalent,AROM,C5,C1,yes,N,65,,20332,bmse001106,BMET001106
66,covalent,SING,C5,H53,no,N,66,,20332,bmse001106,BMET001106
67,covalent,AROM,C7,C2,yes,N,67,,20332,bmse001106,BMET001106
68,covalent,SING,C7,H55,no,N,68,,20332,bmse001106,BMET001106
69,covalent,AROM,C6,C1,yes,N,69,,20332,bmse001106,BMET001106
70,covalent,SING,C6,H54,no,N,70,,20332,bmse001106,BMET001106
71,covalent,AROM,C8,C2,yes,N,71,,20332,bmse001106,BMET001106
72,covalent,SING,C8,H56,no,N,72,,20332,bmse001106,BMET001106
73,covalent,AROM,C9,C3,yes,N,73,,20332,bmse001106,BMET001106
74,covalent,SING,C9,H57,no,N,74,,20332,bmse001106,BMET001106
75,covalent,AROM,C11,C4,yes,N,75,,20332,bmse001106,BMET001106
76,covalent,SING,C11,H59,no,N,76,,20332,bmse001106,BMET001106
77,covalent,AROM,C10,C3,yes,N,77,,20332,bmse001106,BMET001106
78,covalent,SING,C10,H58,no,N,78,,20332,bmse001106,BMET001106
79,covalent,AROM,C12,C4,yes,N,79,,20332,bmse001106,BMET001106
80,covalent,SING,C12,H60,no,N,80,,20332,bmse001106,BMET001106
81,covalent,SING,C1,H49,no,N,81,,20332,bmse001106,BMET001106
82,covalent,SING,C2,H50,no,N,82,,20332,bmse001106,BMET001106
83,covalent,SING,C3,H51,no,N,83,,20332,bmse001106,BMET001106
84,covalent,SING,C4,H52,no,N,84,,20332,bmse001106,BMET001106
1,covalent,SING,P57,O56,no,N,1,,20353,bmse001107,BMET001107
2,covalent,SING,P57,O54,no,N,2,,20353,bmse001107,BMET001107
3,covalent,SING,P57,O51,no,N,3,,20353,bmse001107,BMET001107
4,covalent,DOUB,P57,O52,no,N,4,,20353,bmse001107,BMET001107
5,covalent,SING,O56,C43,no,N,5,,20353,bmse001107,BMET001107
6,covalent,SING,O49,C41,no,N,6,,20353,bmse001107,BMET001107
7,covalent,SING,O49,H128,no,N,7,,20353,bmse001107,BMET001107
8,covalent,SING,O50,C42,no,N,8,,20353,bmse001107,BMET001107
9,covalent,SING,O50,H129,no,N,9,,20353,bmse001107,BMET001107
10,covalent,SING,O47,C39,no,N,10,,20353,bmse001107,BMET001107
11,covalent,SING,O47,H126,no,N,11,,20353,bmse001107,BMET001107
12,covalent,SING,C40,O48,no,N,12,,20353,bmse001107,BMET001107
13,covalent,SING,O48,H127,no,N,13,,20353,bmse001107,BMET001107
14,covalent,SING,O46,C38,no,N,14,,20353,bmse001107,BMET001107
15,covalent,SING,O46,H125,no,N,15,,20353,bmse001107,BMET001107
16,covalent,SING,O54,C34,no,N,16,,20353,bmse001107,BMET001107
17,covalent,SING,O55,C35,no,N,17,,20353,bmse001107,BMET001107
18,ester,SING,O55,C37,no,N,18,,20353,bmse001107,BMET001107
19,covalent,SING,O53,C33,no,N,19,,20353,bmse001107,BMET001107
20,ester,SING,O53,C36,no,N,20,,20353,bmse001107,BMET001107
21,carbonyl,DOUB,O45,C37,no,N,21,,20353,bmse001107,BMET001107
22,carbonyl,DOUB,O44,C36,no,N,22,,20353,bmse001107,BMET001107
23,covalent,SING,C43,C41,no,N,23,,20353,bmse001107,BMET001107
24,covalent,SING,C43,C42,no,N,24,,20353,bmse001107,BMET001107
25,covalent,SING,C43,H134,no,N,25,,20353,bmse001107,BMET001107
26,covalent,SING,C41,C39,no,N,26,,20353,bmse001107,BMET001107
27,covalent,SING,C41,H135,no,N,27,,20353,bmse001107,BMET001107
28,covalent,SING,C42,C40,no,N,28,,20353,bmse001107,BMET001107
29,covalent,SING,C42,H132,no,N,29,,20353,bmse001107,BMET001107
30,covalent,SING,C39,C38,no,N,30,,20353,bmse001107,BMET001107
31,covalent,SING,C39,H133,no,N,31,,20353,bmse001107,BMET001107
32,covalent,SING,C40,C38,no,N,32,,20353,bmse001107,BMET001107
33,covalent,SING,C40,H131,no,N,33,,20353,bmse001107,BMET001107
34,covalent,SING,C38,H130,no,N,34,,20353,bmse001107,BMET001107
35,covalent,SING,C34,C35,no,N,35,,20353,bmse001107,BMET001107
36,covalent,SING,C34,H122,no,N,36,,20353,bmse001107,BMET001107
37,covalent,SING,C34,H123,no,N,37,,20353,bmse001107,BMET001107
38,covalent,SING,C35,C33,no,N,38,,20353,bmse001107,BMET001107
39,covalent,SING,C35,H124,no,N,39,,20353,bmse001107,BMET001107
40,covalent,SING,C19,C16,no,N,40,,20353,bmse001107,BMET001107
41,covalent,SING,C19,C21,no,N,41,,20353,bmse001107,BMET001107
42,covalent,SING,C19,H92,no,N,42,,20353,bmse001107,BMET001107
43,covalent,SING,C19,H93,no,N,43,,20353,bmse001107,BMET001107
44,covalent,SING,C16,C14,no,N,44,,20353,bmse001107,BMET001107
45,covalent,SING,C16,H88,no,N,45,,20353,bmse001107,BMET001107
46,covalent,SING,C16,H89,no,N,46,,20353,bmse001107,BMET001107
47,covalent,SING,C21,C23,no,N,47,,20353,bmse001107,BMET001107
48,covalent,SING,C21,H96,no,N,48,,20353,bmse001107,BMET001107
49,covalent,SING,C21,H97,no,N,49,,20353,bmse001107,BMET001107
50,covalent,SING,C14,C12,no,N,50,,20353,bmse001107,BMET001107
51,covalent,SING,C14,H84,no,N,51,,20353,bmse001107,BMET001107
52,covalent,SING,C14,H85,no,N,52,,20353,bmse001107,BMET001107
53,covalent,SING,C23,C25,no,N,53,,20353,bmse001107,BMET001107
54,covalent,SING,C23,H100,no,N,54,,20353,bmse001107,BMET001107
55,covalent,SING,C23,H101,no,N,55,,20353,bmse001107,BMET001107
56,covalent,SING,C33,H120,no,N,56,,20353,bmse001107,BMET001107
57,covalent,SING,C33,H121,no,N,57,,20353,bmse001107,BMET001107
58,covalent,SING,C12,C10,no,N,58,,20353,bmse001107,BMET001107
59,covalent,SING,C12,H81,no,N,59,,20353,bmse001107,BMET001107
60,covalent,SING,C12,H82,no,N,60,,20353,bmse001107,BMET001107
61,covalent,SING,C25,C27,no,N,61,,20353,bmse001107,BMET001107
62,covalent,SING,C25,H104,no,N,62,,20353,bmse001107,BMET001107
63,covalent,SING,C25,H105,no,N,63,,20353,bmse001107,BMET001107
64,covalent,SING,C10,C8,no,N,64,,20353,bmse001107,BMET001107
65,covalent,SING,C10,H78,no,N,65,,20353,bmse001107,BMET001107
66,covalent,SING,C10,H79,no,N,66,,20353,bmse001107,BMET001107
67,covalent,SING,C27,C29,no,N,67,,20353,bmse001107,BMET001107
68,covalent,SING,C27,H108,no,N,68,,20353,bmse001107,BMET001107
69,covalent,SING,C27,H109,no,N,69,,20353,bmse001107,BMET001107
70,covalent,SING,C8,C6,no,N,70,,20353,bmse001107,BMET001107
71,covalent,SING,C8,H74,no,N,71,,20353,bmse001107,BMET001107
72,covalent,SING,C8,H75,no,N,72,,20353,bmse001107,BMET001107
73,covalent,SING,C29,C31,no,N,73,,20353,bmse001107,BMET001107
74,covalent,SING,C29,H112,no,N,74,,20353,bmse001107,BMET001107
75,covalent,SING,C29,H113,no,N,75,,20353,bmse001107,BMET001107
76,covalent,SING,C6,C4,no,N,76,,20353,bmse001107,BMET001107
77,covalent,SING,C6,H70,no,N,77,,20353,bmse001107,BMET001107
78,covalent,SING,C6,H71,no,N,78,,20353,bmse001107,BMET001107
79,covalent,SING,C31,C36,no,N,79,,20353,bmse001107,BMET001107
80,covalent,SING,C31,H116,no,N,80,,20353,bmse001107,BMET001107
81,covalent,SING,C31,H117,no,N,81,,20353,bmse001107,BMET001107
82,covalent,SING,C37,C32,no,N,82,,20353,bmse001107,BMET001107
83,covalent,SING,C32,C30,no,N,83,,20353,bmse001107,BMET001107
84,covalent,SING,C32,H118,no,N,84,,20353,bmse001107,BMET001107
85,covalent,SING,C32,H119,no,N,85,,20353,bmse001107,BMET001107
86,covalent,SING,C4,C2,no,N,86,,20353,bmse001107,BMET001107
87,covalent,SING,C4,H66,no,N,87,,20353,bmse001107,BMET001107
88,covalent,SING,C4,H67,no,N,88,,20353,bmse001107,BMET001107
89,covalent,SING,C30,C28,no,N,89,,20353,bmse001107,BMET001107
90,covalent,SING,C30,H114,no,N,90,,20353,bmse001107,BMET001107
91,covalent,SING,C30,H115,no,N,91,,20353,bmse001107,BMET001107
92,covalent,SING,C28,C26,no,N,92,,20353,bmse001107,BMET001107
93,covalent,SING,C28,H110,no,N,93,,20353,bmse001107,BMET001107
94,covalent,SING,C28,H111,no,N,94,,20353,bmse001107,BMET001107
95,covalent,SING,C26,C24,no,N,95,,20353,bmse001107,BMET001107
96,covalent,SING,C26,H106,no,N,96,,20353,bmse001107,BMET001107
97,covalent,SING,C26,H107,no,N,97,,20353,bmse001107,BMET001107
98,covalent,SING,C24,C22,no,N,98,,20353,bmse001107,BMET001107
99,covalent,SING,C24,H102,no,N,99,,20353,bmse001107,BMET001107
100,covalent,SING,C24,H103,no,N,100,,20353,bmse001107,BMET001107
101,covalent,SING,C22,C20,no,N,101,,20353,bmse001107,BMET001107
102,covalent,SING,C22,H98,no,N,102,,20353,bmse001107,BMET001107
103,covalent,SING,C22,H99,no,N,103,,20353,bmse001107,BMET001107
104,covalent,SING,C2,H62,no,N,104,,20353,bmse001107,BMET001107
105,covalent,SING,C2,H61,no,N,105,,20353,bmse001107,BMET001107
106,covalent,SING,C2,H63,no,N,106,,20353,bmse001107,BMET001107
107,covalent,SING,C20,C18,no,N,107,,20353,bmse001107,BMET001107
108,covalent,SING,C20,H94,no,N,108,,20353,bmse001107,BMET001107
109,covalent,SING,C20,H95,no,N,109,,20353,bmse001107,BMET001107
110,covalent,DOUB,C18,C17,no,Z,110,,20353,bmse001107,BMET001107
111,covalent,SING,C18,H91,no,N,111,,20353,bmse001107,BMET001107
112,covalent,SING,C17,C15,no,N,112,,20353,bmse001107,BMET001107
113,covalent,SING,C17,H90,no,N,113,,20353,bmse001107,BMET001107
114,covalent,SING,C15,C13,no,N,114,,20353,bmse001107,BMET001107
115,covalent,SING,C15,H86,no,N,115,,20353,bmse001107,BMET001107
116,covalent,SING,C15,H87,no,N,116,,20353,bmse001107,BMET001107
117,covalent,SING,C7,C9,no,N,117,,20353,bmse001107,BMET001107
118,covalent,SING,C7,C5,no,N,118,,20353,bmse001107,BMET001107
119,covalent,SING,C7,H72,no,N,119,,20353,bmse001107,BMET001107
120,covalent,SING,C7,H73,no,N,120,,20353,bmse001107,BMET001107
121,covalent,SING,C9,C11,no,N,121,,20353,bmse001107,BMET001107
122,covalent,SING,C9,H76,no,N,122,,20353,bmse001107,BMET001107
123,covalent,SING,C9,H77,no,N,123,,20353,bmse001107,BMET001107
124,covalent,SING,C5,C3,no,N,124,,20353,bmse001107,BMET001107
125,covalent,SING,C5,H68,no,N,125,,20353,bmse001107,BMET001107
126,covalent,SING,C5,H69,no,N,126,,20353,bmse001107,BMET001107
127,covalent,DOUB,C13,C11,no,Z,127,,20353,bmse001107,BMET001107
128,covalent,SING,C13,H83,no,N,128,,20353,bmse001107,BMET001107
129,covalent,SING,C11,H80,no,N,129,,20353,bmse001107,BMET001107
130,covalent,SING,C3,C1,no,N,130,,20353,bmse001107,BMET001107
131,covalent,SING,C3,H64,no,N,131,,20353,bmse001107,BMET001107
132,covalent,SING,C3,H65,no,N,132,,20353,bmse001107,BMET001107
133,covalent,SING,C1,H59,no,N,133,,20353,bmse001107,BMET001107
134,covalent,SING,C1,H58,no,N,134,,20353,bmse001107,BMET001107
135,covalent,SING,C1,H60,no,N,135,,20353,bmse001107,BMET001107
1,carbonyl,DOUB,O10,C9,no,N,1,,20374,bmse001108,BMET001108
2,covalent,SING,C5,C4,no,N,2,,20374,bmse001108,BMET001108
3,covalent,SING,C5,C6,no,N,3,,20374,bmse001108,BMET001108
4,covalent,SING,C5,H20,no,N,4,,20374,bmse001108,BMET001108
5,covalent,SING,C5,H21,no,N,5,,20374,bmse001108,BMET001108
6,covalent,SING,C4,C3,no,N,6,,20374,bmse001108,BMET001108
7,covalent,SING,C4,H18,no,N,7,,20374,bmse001108,BMET001108
8,covalent,SING,C4,H19,no,N,8,,20374,bmse001108,BMET001108
9,covalent,SING,C6,C7,no,N,9,,20374,bmse001108,BMET001108
10,covalent,SING,C6,H22,no,N,10,,20374,bmse001108,BMET001108
11,covalent,SING,C6,H23,no,N,11,,20374,bmse001108,BMET001108
12,covalent,SING,C3,C2,no,N,12,,20374,bmse001108,BMET001108
13,covalent,SING,C3,H16,no,N,13,,20374,bmse001108,BMET001108
14,covalent,SING,C3,H17,no,N,14,,20374,bmse001108,BMET001108
15,covalent,SING,C7,C8,no,N,15,,20374,bmse001108,BMET001108
16,covalent,SING,C7,H24,no,N,16,,20374,bmse001108,BMET001108
17,covalent,SING,C7,H25,no,N,17,,20374,bmse001108,BMET001108
18,covalent,SING,C2,C1,no,N,18,,20374,bmse001108,BMET001108
19,covalent,SING,C2,H14,no,N,19,,20374,bmse001108,BMET001108
20,covalent,SING,C2,H15,no,N,20,,20374,bmse001108,BMET001108
21,covalent,SING,C8,C9,no,N,21,,20374,bmse001108,BMET001108
22,covalent,SING,C8,H26,no,N,22,,20374,bmse001108,BMET001108
23,covalent,SING,C8,H27,no,N,23,,20374,bmse001108,BMET001108
24,covalent,SING,C1,H12,no,N,24,,20374,bmse001108,BMET001108
25,covalent,SING,C1,H11,no,N,25,,20374,bmse001108,BMET001108
26,covalent,SING,C1,H13,no,N,26,,20374,bmse001108,BMET001108
27,covalent,SING,C9,H28,no,N,27,,20374,bmse001108,BMET001108
1,covalent,SING,P48,O46,no,N,1,,20395,bmse001109,BMET001109
2,covalent,SING,P48,O47,no,N,2,,20395,bmse001109,BMET001109
3,covalent,SING,P48,O44,no,N,3,,20395,bmse001109,BMET001109
4,covalent,DOUB,P48,O45,no,N,4,,20395,bmse001109,BMET001109
5,covalent,SING,O46,C35,no,N,5,,20395,bmse001109,BMET001109
6,covalent,SING,O47,C36,no,N,6,,20395,bmse001109,BMET001109
7,covalent,SING,O42,C38,no,N,7,,20395,bmse001109,BMET001109
8,covalent,SING,O42,H51,no,N,8,,20395,bmse001109,BMET001109
9,carbonyl,DOUB,O43,C39,no,N,9,,20395,bmse001109,BMET001109
10,covalent,SING,N41,C34,no,N,10,,20395,bmse001109,BMET001109
11,covalent,SING,N41,C3,no,N,11,,20395,bmse001109,BMET001109
12,covalent,SING,N41,C4,no,N,12,,20395,bmse001109,BMET001109
13,covalent,SING,N41,C5,no,N,13,,20395,bmse001109,BMET001109
14,covalent,SING,N40,C37,no,N,14,,20395,bmse001109,BMET001109
15,amide,SING,N40,C39,no,N,15,,20395,bmse001109,BMET001109
16,covalent,SING,N40,H120,no,N,16,,20395,bmse001109,BMET001109
17,covalent,SING,C21,C23,no,N,17,,20395,bmse001109,BMET001109
18,covalent,SING,C21,C19,no,N,18,,20395,bmse001109,BMET001109
19,covalent,SING,C21,H127,no,N,19,,20395,bmse001109,BMET001109
20,covalent,SING,C21,H126,no,N,20,,20395,bmse001109,BMET001109
21,covalent,SING,C23,C25,no,N,21,,20395,bmse001109,BMET001109
22,covalent,SING,C23,H94,no,N,22,,20395,bmse001109,BMET001109
23,covalent,SING,C23,H95,no,N,23,,20395,bmse001109,BMET001109
24,covalent,SING,C19,C17,no,N,24,,20395,bmse001109,BMET001109
25,covalent,SING,C19,H98,no,N,25,,20395,bmse001109,BMET001109
26,covalent,SING,C19,H99,no,N,26,,20395,bmse001109,BMET001109
27,covalent,SING,C25,C27,no,N,27,,20395,bmse001109,BMET001109
28,covalent,SING,C25,H90,no,N,28,,20395,bmse001109,BMET001109
29,covalent,SING,C25,H91,no,N,29,,20395,bmse001109,BMET001109
30,covalent,SING,C17,C15,no,N,30,,20395,bmse001109,BMET001109
31,covalent,SING,C17,H102,no,N,31,,20395,bmse001109,BMET001109
32,covalent,SING,C17,H103,no,N,32,,20395,bmse001109,BMET001109
33,covalent,SING,C27,C29,no,N,33,,20395,bmse001109,BMET001109
34,covalent,SING,C27,H86,no,N,34,,20395,bmse001109,BMET001109
35,covalent,SING,C27,H87,no,N,35,,20395,bmse001109,BMET001109
36,covalent,SING,C15,C13,no,N,36,,20395,bmse001109,BMET001109
37,covalent,SING,C15,H106,no,N,37,,20395,bmse001109,BMET001109
38,covalent,SING,C15,H107,no,N,38,,20395,bmse001109,BMET001109
39,covalent,SING,C18,C20,no,N,39,,20395,bmse001109,BMET001109
40,covalent,SING,C18,C16,no,N,40,,20395,bmse001109,BMET001109
41,covalent,SING,C18,H82,no,N,41,,20395,bmse001109,BMET001109
42,covalent,SING,C18,H83,no,N,42,,20395,bmse001109,BMET001109
43,covalent,SING,C29,C31,no,N,43,,20395,bmse001109,BMET001109
44,covalent,SING,C29,H88,no,N,44,,20395,bmse001109,BMET001109
45,covalent,SING,C29,H89,no,N,45,,20395,bmse001109,BMET001109
46,covalent,SING,C20,C22,no,N,46,,20395,bmse001109,BMET001109
47,covalent,SING,C20,H110,no,N,47,,20395,bmse001109,BMET001109
48,covalent,SING,C20,H111,no,N,48,,20395,bmse001109,BMET001109
49,covalent,SING,C16,C14,no,N,49,,20395,bmse001109,BMET001109
50,covalent,SING,C16,H92,no,N,50,,20395,bmse001109,BMET001109
51,covalent,SING,C16,H93,no,N,51,,20395,bmse001109,BMET001109
52,covalent,SING,C13,C11,no,N,52,,20395,bmse001109,BMET001109
53,covalent,SING,C13,H84,no,N,53,,20395,bmse001109,BMET001109
54,covalent,SING,C13,H85,no,N,54,,20395,bmse001109,BMET001109
55,covalent,SING,C22,C24,no,N,55,,20395,bmse001109,BMET001109
56,covalent,SING,C22,H78,no,N,56,,20395,bmse001109,BMET001109
57,covalent,SING,C22,H79,no,N,57,,20395,bmse001109,BMET001109
58,covalent,SING,C14,C12,no,N,58,,20395,bmse001109,BMET001109
59,covalent,SING,C14,H96,no,N,59,,20395,bmse001109,BMET001109
60,covalent,SING,C14,H97,no,N,60,,20395,bmse001109,BMET001109
61,covalent,SING,C31,C33,no,N,61,,20395,bmse001109,BMET001109
62,covalent,SING,C31,H80,no,N,62,,20395,bmse001109,BMET001109
63,covalent,SING,C31,H81,no,N,63,,20395,bmse001109,BMET001109
64,covalent,SING,C24,C26,no,N,64,,20395,bmse001109,BMET001109
65,covalent,SING,C24,H113,no,N,65,,20395,bmse001109,BMET001109
66,covalent,SING,C24,H114,no,N,66,,20395,bmse001109,BMET001109
67,covalent,SING,C12,C10,no,N,67,,20395,bmse001109,BMET001109
68,covalent,SING,C12,H100,no,N,68,,20395,bmse001109,BMET001109
69,covalent,SING,C12,H101,no,N,69,,20395,bmse001109,BMET001109
70,covalent,SING,C11,C9,no,N,70,,20395,bmse001109,BMET001109
71,covalent,SING,C11,H76,no,N,71,,20395,bmse001109,BMET001109
72,covalent,SING,C11,H77,no,N,72,,20395,bmse001109,BMET001109
73,covalent,SING,C34,C35,no,N,73,,20395,bmse001109,BMET001109
74,covalent,SING,C34,H74,no,N,74,,20395,bmse001109,BMET001109
75,covalent,SING,C34,H75,no,N,75,,20395,bmse001109,BMET001109
76,covalent,SING,C26,C28,no,N,76,,20395,bmse001109,BMET001109
77,covalent,SING,C26,H118,no,N,77,,20395,bmse001109,BMET001109
78,covalent,SING,C26,H119,no,N,78,,20395,bmse001109,BMET001109
79,covalent,SING,C10,C8,no,N,79,,20395,bmse001109,BMET001109
80,covalent,SING,C10,H104,no,N,80,,20395,bmse001109,BMET001109
81,covalent,SING,C10,H105,no,N,81,,20395,bmse001109,BMET001109
82,covalent,SING,C37,C38,no,N,82,,20395,bmse001109,BMET001109
83,covalent,SING,C37,C36,no,N,83,,20395,bmse001109,BMET001109
84,covalent,SING,C37,H72,no,N,84,,20395,bmse001109,BMET001109
85,covalent,SING,C33,C39,no,N,85,,20395,bmse001109,BMET001109
86,covalent,SING,C33,H73,no,N,86,,20395,bmse001109,BMET001109
87,covalent,SING,C33,H124,no,N,87,,20395,bmse001109,BMET001109
88,covalent,SING,C9,C7,no,N,88,,20395,bmse001109,BMET001109
89,covalent,SING,C9,H116,no,N,89,,20395,bmse001109,BMET001109
90,covalent,SING,C9,H117,no,N,90,,20395,bmse001109,BMET001109
91,covalent,SING,C38,C32,no,N,91,,20395,bmse001109,BMET001109
92,covalent,SING,C38,H70,no,N,92,,20395,bmse001109,BMET001109
93,covalent,SING,C3,H59,no,N,93,,20395,bmse001109,BMET001109
94,covalent,SING,C3,H58,no,N,94,,20395,bmse001109,BMET001109
95,covalent,SING,C3,H62,no,N,95,,20395,bmse001109,BMET001109
96,covalent,SING,C4,H57,no,N,96,,20395,bmse001109,BMET001109
97,covalent,SING,C4,H56,no,N,97,,20395,bmse001109,BMET001109
98,covalent,SING,C4,H60,no,N,98,,20395,bmse001109,BMET001109
99,covalent,SING,C5,H71,no,N,99,,20395,bmse001109,BMET001109
100,covalent,SING,C5,H125,no,N,100,,20395,bmse001109,BMET001109
101,covalent,SING,C5,H55,no,N,101,,20395,bmse001109,BMET001109
102,covalent,SING,C28,C30,no,N,102,,20395,bmse001109,BMET001109
103,covalent,SING,C28,H63,no,N,103,,20395,bmse001109,BMET001109
104,covalent,SING,C28,H61,no,N,104,,20395,bmse001109,BMET001109
105,covalent,SING,C8,C6,no,N,105,,20395,bmse001109,BMET001109
106,covalent,SING,C8,H108,no,N,106,,20395,bmse001109,BMET001109
107,covalent,SING,C8,H109,no,N,107,,20395,bmse001109,BMET001109
108,covalent,SING,C35,H68,no,N,108,,20395,bmse001109,BMET001109
109,covalent,SING,C35,H69,no,N,109,,20395,bmse001109,BMET001109
110,covalent,SING,C36,H121,no,N,110,,20395,bmse001109,BMET001109
111,covalent,SING,C36,H122,no,N,111,,20395,bmse001109,BMET001109
112,covalent,SING,C7,C2,no,N,112,,20395,bmse001109,BMET001109
113,covalent,SING,C7,H123,no,N,113,,20395,bmse001109,BMET001109
114,covalent,SING,C7,H66,no,N,114,,20395,bmse001109,BMET001109
115,covalent,DOUB,C32,C30,no,E,115,,20395,bmse001109,BMET001109
116,covalent,SING,C32,H67,no,N,116,,20395,bmse001109,BMET001109
117,covalent,SING,C30,H115,no,N,117,,20395,bmse001109,BMET001109
118,covalent,SING,C6,C1,no,N,118,,20395,bmse001109,BMET001109
119,covalent,SING,C6,H112,no,N,119,,20395,bmse001109,BMET001109
120,covalent,SING,C6,H64,no,N,120,,20395,bmse001109,BMET001109
121,covalent,SING,C2,H65,no,N,121,,20395,bmse001109,BMET001109
122,covalent,SING,C2,H54,no,N,122,,20395,bmse001109,BMET001109
123,covalent,SING,C2,H53,no,N,123,,20395,bmse001109,BMET001109
124,covalent,SING,C1,H52,no,N,124,,20395,bmse001109,BMET001109
125,covalent,SING,C1,H50,no,N,125,,20395,bmse001109,BMET001109
126,covalent,SING,C1,H49,no,N,126,,20395,bmse001109,BMET001109
1,covalent,SING,C21,O29,no,N,1,,20416,bmse001110,BMET001110
2,covalent,SING,O29,H66,no,N,2,,20416,bmse001110,BMET001110
3,covalent,SING,C17,O28,no,N,3,,20416,bmse001110,BMET001110
4,covalent,SING,O28,H33,no,N,4,,20416,bmse001110,BMET001110
5,carbonyl,DOUB,O30,C22,no,N,5,,20416,bmse001110,BMET001110
6,ester,SING,O31,C23,no,N,6,,20416,bmse001110,BMET001110
7,carbonyl,DOUB,O32,C23,no,N,7,,20416,bmse001110,BMET001110
8,amide,SING,N27,C22,no,N,8,,20416,bmse001110,BMET001110
9,covalent,SING,N27,C14,no,N,9,,20416,bmse001110,BMET001110
10,covalent,SING,N27,H49,no,N,10,,20416,bmse001110,BMET001110
11,covalent,SING,C19,C26,no,N,11,,20416,bmse001110,BMET001110
12,covalent,SING,C19,C24,no,N,12,,20416,bmse001110,BMET001110
13,covalent,SING,C19,C6,no,N,13,,20416,bmse001110,BMET001110
14,covalent,SING,C19,H74,no,N,14,,20416,bmse001110,BMET001110
15,covalent,SING,C26,C18,no,N,15,,20416,bmse001110,BMET001110
16,covalent,SING,C26,C11,no,N,16,,20416,bmse001110,BMET001110
17,covalent,SING,C26,C3,no,N,17,,20416,bmse001110,BMET001110
18,covalent,SING,C24,C20,no,N,18,,20416,bmse001110,BMET001110
19,covalent,SING,C24,C21,no,N,19,,20416,bmse001110,BMET001110
20,covalent,SING,C24,H73,no,N,20,,20416,bmse001110,BMET001110
21,covalent,SING,C20,C25,no,N,21,,20416,bmse001110,BMET001110
22,covalent,SING,C20,C9,no,N,22,,20416,bmse001110,BMET001110
23,covalent,SING,C20,H72,no,N,23,,20416,bmse001110,BMET001110
24,covalent,SING,C25,C16,no,N,24,,20416,bmse001110,BMET001110
25,covalent,SING,C25,C10,no,N,25,,20416,bmse001110,BMET001110
26,covalent,SING,C25,C2,no,N,26,,20416,bmse001110,BMET001110
27,covalent,SING,C18,C5,no,N,27,,20416,bmse001110,BMET001110
28,covalent,SING,C18,C15,no,N,28,,20416,bmse001110,BMET001110
29,covalent,SING,C18,H68,no,N,29,,20416,bmse001110,BMET001110
30,covalent,SING,C16,C13,no,N,30,,20416,bmse001110,BMET001110
31,covalent,SING,C16,C12,no,N,31,,20416,bmse001110,BMET001110
32,covalent,SING,C16,H71,no,N,32,,20416,bmse001110,BMET001110
33,covalent,SING,C11,C9,no,N,33,,20416,bmse001110,BMET001110
34,covalent,SING,C11,H69,no,N,34,,20416,bmse001110,BMET001110
35,covalent,SING,C11,H67,no,N,35,,20416,bmse001110,BMET001110
36,covalent,SING,C9,H65,no,N,36,,20416,bmse001110,BMET001110
37,covalent,SING,C9,H56,no,N,37,,20416,bmse001110,BMET001110
38,covalent,SING,C21,C13,no,N,38,,20416,bmse001110,BMET001110
39,covalent,SING,C21,H57,no,N,39,,20416,bmse001110,BMET001110
40,covalent,SING,C6,C5,no,N,40,,20416,bmse001110,BMET001110
41,covalent,SING,C6,H52,no,N,41,,20416,bmse001110,BMET001110
42,covalent,SING,C6,H53,no,N,42,,20416,bmse001110,BMET001110
43,covalent,SING,C5,H70,no,N,43,,20416,bmse001110,BMET001110
44,covalent,SING,C5,H46,no,N,44,,20416,bmse001110,BMET001110
45,covalent,SING,C13,H47,no,N,45,,20416,bmse001110,BMET001110
46,covalent,SING,C13,H44,no,N,46,,20416,bmse001110,BMET001110
47,covalent,SING,C10,C8,no,N,47,,20416,bmse001110,BMET001110
48,covalent,SING,C10,H45,no,N,48,,20416,bmse001110,BMET001110
49,covalent,SING,C10,H60,no,N,49,,20416,bmse001110,BMET001110
50,covalent,SING,C3,H61,no,N,50,,20416,bmse001110,BMET001110
51,covalent,SING,C3,H54,no,N,51,,20416,bmse001110,BMET001110
52,covalent,SING,C3,H55,no,N,52,,20416,bmse001110,BMET001110
53,covalent,SING,C15,C4,no,N,53,,20416,bmse001110,BMET001110
54,covalent,SING,C15,C1,no,N,54,,20416,bmse001110,BMET001110
55,covalent,SING,C15,H40,no,N,55,,20416,bmse001110,BMET001110
56,covalent,SING,C12,C17,no,N,56,,20416,bmse001110,BMET001110
57,covalent,SING,C12,H41,no,N,57,,20416,bmse001110,BMET001110
58,covalent,SING,C12,H39,no,N,58,,20416,bmse001110,BMET001110
59,covalent,SING,C2,H64,no,N,59,,20416,bmse001110,BMET001110
60,covalent,SING,C2,H58,no,N,60,,20416,bmse001110,BMET001110
61,covalent,SING,C2,H59,no,N,61,,20416,bmse001110,BMET001110
62,covalent,SING,C8,C17,no,N,62,,20416,bmse001110,BMET001110
63,covalent,SING,C8,H38,no,N,63,,20416,bmse001110,BMET001110
64,covalent,SING,C8,H37,no,N,64,,20416,bmse001110,BMET001110
65,covalent,SING,C17,H36,no,N,65,,20416,bmse001110,BMET001110
66,covalent,SING,C4,C7,no,N,66,,20416,bmse001110,BMET001110
67,covalent,SING,C4,H50,no,N,67,,20416,bmse001110,BMET001110
68,covalent,SING,C4,H51,no,N,68,,20416,bmse001110,BMET001110
69,covalent,SING,C1,H42,no,N,69,,20416,bmse001110,BMET001110
70,covalent,SING,C1,H43,no,N,70,,20416,bmse001110,BMET001110
71,covalent,SING,C1,H34,no,N,71,,20416,bmse001110,BMET001110
72,covalent,SING,C7,C22,no,N,72,,20416,bmse001110,BMET001110
73,covalent,SING,C7,H35,no,N,73,,20416,bmse001110,BMET001110
74,covalent,SING,C7,H48,no,N,74,,20416,bmse001110,BMET001110
75,covalent,SING,C14,C23,no,N,75,,20416,bmse001110,BMET001110
76,covalent,SING,C14,H62,no,N,76,,20416,bmse001110,BMET001110
77,covalent,SING,C14,H63,no,N,77,,20416,bmse001110,BMET001110
1,covalent,SING,C15,C12,no,N,1,,20437,bmse001111,BMET001111
2,covalent,SING,C15,C10,no,N,2,,20437,bmse001111,BMET001111
3,covalent,SING,C15,C14,no,N,3,,20437,bmse001111,BMET001111
4,covalent,SING,C15,C4,no,N,4,,20437,bmse001111,BMET001111
5,covalent,SING,C12,C6,no,N,5,,20437,bmse001111,BMET001111
6,covalent,SING,C12,C3,no,N,6,,20437,bmse001111,BMET001111
7,covalent,SING,C12,H38,no,N,7,,20437,bmse001111,BMET001111
8,covalent,SING,C10,C13,no,N,8,,20437,bmse001111,BMET001111
9,covalent,SING,C10,H36,no,N,9,,20437,bmse001111,BMET001111
10,covalent,SING,C10,H37,no,N,10,,20437,bmse001111,BMET001111
11,covalent,SING,C14,C9,no,N,11,,20437,bmse001111,BMET001111
12,covalent,DOUB,C14,C7,no,N,12,,20437,bmse001111,BMET001111
13,covalent,SING,C13,C8,no,N,13,,20437,bmse001111,BMET001111
14,covalent,SING,C13,C11,no,N,14,,20437,bmse001111,BMET001111
15,covalent,SING,C13,H39,no,N,15,,20437,bmse001111,BMET001111
16,covalent,SING,C9,C8,no,N,16,,20437,bmse001111,BMET001111
17,covalent,SING,C9,H34,no,N,17,,20437,bmse001111,BMET001111
18,covalent,SING,C9,H35,no,N,18,,20437,bmse001111,BMET001111
19,covalent,SING,C6,C5,no,N,19,,20437,bmse001111,BMET001111
20,covalent,SING,C6,H29,no,N,20,,20437,bmse001111,BMET001111
21,covalent,SING,C6,H30,no,N,21,,20437,bmse001111,BMET001111
22,covalent,SING,C8,H32,no,N,22,,20437,bmse001111,BMET001111
23,covalent,SING,C8,H33,no,N,23,,20437,bmse001111,BMET001111
24,covalent,SING,C4,H24,no,N,24,,20437,bmse001111,BMET001111
25,covalent,SING,C4,H26,no,N,25,,20437,bmse001111,BMET001111
26,covalent,SING,C4,H25,no,N,26,,20437,bmse001111,BMET001111
27,covalent,SING,C5,C7,no,N,27,,20437,bmse001111,BMET001111
28,covalent,SING,C5,H27,no,N,28,,20437,bmse001111,BMET001111
29,covalent,SING,C5,H28,no,N,29,,20437,bmse001111,BMET001111
30,covalent,SING,C7,H31,no,N,30,,20437,bmse001111,BMET001111
31,covalent,SING,C3,H21,no,N,31,,20437,bmse001111,BMET001111
32,covalent,SING,C3,H23,no,N,32,,20437,bmse001111,BMET001111
33,covalent,SING,C3,H22,no,N,33,,20437,bmse001111,BMET001111
34,covalent,SING,C11,C2,no,N,34,,20437,bmse001111,BMET001111
35,covalent,DOUB,C11,C1,no,N,35,,20437,bmse001111,BMET001111
36,covalent,SING,C2,H19,no,N,36,,20437,bmse001111,BMET001111
37,covalent,SING,C2,H20,no,N,37,,20437,bmse001111,BMET001111
38,covalent,SING,C2,H18,no,N,38,,20437,bmse001111,BMET001111
39,covalent,SING,C1,H16,no,N,39,,20437,bmse001111,BMET001111
40,covalent,SING,C1,H17,no,N,40,,20437,bmse001111,BMET001111
1,covalent,SING,O33,C18,no,N,1,,20458,bmse001112,BMET001112
2,covalent,SING,O33,C8,no,N,2,,20458,bmse001112,BMET001112
3,covalent,SING,C18,O34,no,N,3,,20458,bmse001112,BMET001112
4,covalent,SING,C16,O34,no,N,4,,20458,bmse001112,BMET001112
5,covalent,SING,C17,O30,no,N,5,,20458,bmse001112,BMET001112
6,covalent,SING,O30,C5,no,N,6,,20458,bmse001112,BMET001112
7,covalent,SING,O32,C17,no,N,7,,20458,bmse001112,BMET001112
8,covalent,SING,O32,C7,no,N,8,,20458,bmse001112,BMET001112
9,covalent,SING,O31,C16,no,N,9,,20458,bmse001112,BMET001112
10,covalent,SING,O31,C6,no,N,10,,20458,bmse001112,BMET001112
11,covalent,SING,C15,O29,no,N,11,,20458,bmse001112,BMET001112
12,covalent,SING,O29,H49,no,N,12,,20458,bmse001112,BMET001112
13,covalent,SING,C11,O25,no,N,13,,20458,bmse001112,BMET001112
14,covalent,SING,O25,H52,no,N,14,,20458,bmse001112,BMET001112
15,covalent,SING,C14,O28,no,N,15,,20458,bmse001112,BMET001112
16,covalent,SING,O28,H45,no,N,16,,20458,bmse001112,BMET001112
17,covalent,SING,C10,O24,no,N,17,,20458,bmse001112,BMET001112
18,covalent,SING,O24,H41,no,N,18,,20458,bmse001112,BMET001112
19,covalent,SING,C13,O27,no,N,19,,20458,bmse001112,BMET001112
20,covalent,SING,O27,H42,no,N,20,,20458,bmse001112,BMET001112
21,covalent,SING,C12,O26,no,N,21,,20458,bmse001112,BMET001112
22,covalent,SING,O26,H39,no,N,22,,20458,bmse001112,BMET001112
23,covalent,SING,C9,O23,no,N,23,,20458,bmse001112,BMET001112
24,covalent,SING,O23,H40,no,N,24,,20458,bmse001112,BMET001112
25,covalent,SING,O22,C4,no,N,25,,20458,bmse001112,BMET001112
26,covalent,SING,O22,H37,no,N,26,,20458,bmse001112,BMET001112
27,covalent,SING,O21,C3,no,N,27,,20458,bmse001112,BMET001112
28,covalent,SING,O21,H38,no,N,28,,20458,bmse001112,BMET001112
29,covalent,SING,O20,C2,no,N,29,,20458,bmse001112,BMET001112
30,covalent,SING,O20,H35,no,N,30,,20458,bmse001112,BMET001112
31,covalent,SING,O19,C1,no,N,31,,20458,bmse001112,BMET001112
32,covalent,SING,O19,H36,no,N,32,,20458,bmse001112,BMET001112
33,covalent,SING,C18,C15,no,N,33,,20458,bmse001112,BMET001112
34,covalent,SING,C18,C5,no,N,34,,20458,bmse001112,BMET001112
35,covalent,SING,C15,C11,no,N,35,,20458,bmse001112,BMET001112
36,covalent,SING,C15,H66,no,N,36,,20458,bmse001112,BMET001112
37,covalent,SING,C11,C8,no,N,37,,20458,bmse001112,BMET001112
38,covalent,SING,C11,H62,no,N,38,,20458,bmse001112,BMET001112
39,covalent,SING,C17,C14,no,N,39,,20458,bmse001112,BMET001112
40,covalent,SING,C17,C4,no,N,40,,20458,bmse001112,BMET001112
41,covalent,SING,C8,C3,no,N,41,,20458,bmse001112,BMET001112
42,covalent,SING,C8,H65,no,N,42,,20458,bmse001112,BMET001112
43,covalent,SING,C5,H61,no,N,43,,20458,bmse001112,BMET001112
44,covalent,SING,C5,H64,no,N,44,,20458,bmse001112,BMET001112
45,covalent,SING,C14,C10,no,N,45,,20458,bmse001112,BMET001112
46,covalent,SING,C14,H63,no,N,46,,20458,bmse001112,BMET001112
47,covalent,SING,C10,C7,no,N,47,,20458,bmse001112,BMET001112
48,covalent,SING,C10,H60,no,N,48,,20458,bmse001112,BMET001112
49,covalent,SING,C16,C13,no,N,49,,20458,bmse001112,BMET001112
50,covalent,SING,C16,H59,no,N,50,,20458,bmse001112,BMET001112
51,covalent,SING,C7,C2,no,N,51,,20458,bmse001112,BMET001112
52,covalent,SING,C7,H58,no,N,52,,20458,bmse001112,BMET001112
53,covalent,SING,C13,C12,no,N,53,,20458,bmse001112,BMET001112
54,covalent,SING,C13,H57,no,N,54,,20458,bmse001112,BMET001112
55,covalent,SING,C12,C9,no,N,55,,20458,bmse001112,BMET001112
56,covalent,SING,C12,H56,no,N,56,,20458,bmse001112,BMET001112
57,covalent,SING,C9,C6,no,N,57,,20458,bmse001112,BMET001112
58,covalent,SING,C9,H54,no,N,58,,20458,bmse001112,BMET001112
59,covalent,SING,C6,C1,no,N,59,,20458,bmse001112,BMET001112
60,covalent,SING,C6,H50,no,N,60,,20458,bmse001112,BMET001112
61,covalent,SING,C4,H47,no,N,61,,20458,bmse001112,BMET001112
62,covalent,SING,C4,H43,no,N,62,,20458,bmse001112,BMET001112
63,covalent,SING,C3,H44,no,N,63,,20458,bmse001112,BMET001112
64,covalent,SING,C3,H53,no,N,64,,20458,bmse001112,BMET001112
65,covalent,SING,C2,H55,no,N,65,,20458,bmse001112,BMET001112
66,covalent,SING,C2,H46,no,N,66,,20458,bmse001112,BMET001112
67,covalent,SING,C1,H51,no,N,67,,20458,bmse001112,BMET001112
68,covalent,SING,C1,H48,no,N,68,,20458,bmse001112,BMET001112
1,covalent,SING,C24,O32,no,N,1,,20479,bmse001113,BMET001113
2,covalent,SING,O32,H34,no,N,2,,20479,bmse001113,BMET001113
3,covalent,SING,O31,C18,no,N,3,,20479,bmse001113,BMET001113
4,covalent,SING,O31,H35,no,N,4,,20479,bmse001113,BMET001113
5,covalent,SING,C29,C23,no,N,5,,20479,bmse001113,BMET001113
6,covalent,SING,C29,C28,no,N,6,,20479,bmse001113,BMET001113
7,covalent,SING,C29,C14,no,N,7,,20479,bmse001113,BMET001113
8,covalent,SING,C29,C7,no,N,8,,20479,bmse001113,BMET001113
9,covalent,SING,C23,C27,no,N,9,,20479,bmse001113,BMET001113
10,covalent,SING,C23,C9,no,N,10,,20479,bmse001113,BMET001113
11,covalent,SING,C23,H82,no,N,11,,20479,bmse001113,BMET001113
12,covalent,SING,C27,C22,no,N,12,,20479,bmse001113,BMET001113
13,covalent,SING,C27,C13,no,N,13,,20479,bmse001113,BMET001113
14,covalent,SING,C27,C5,no,N,14,,20479,bmse001113,BMET001113
15,covalent,SING,C28,C21,no,N,15,,20479,bmse001113,BMET001113
16,covalent,SING,C28,C16,no,N,16,,20479,bmse001113,BMET001113
17,covalent,SING,C28,C6,no,N,17,,20479,bmse001113,BMET001113
18,covalent,SING,C22,C11,no,N,18,,20479,bmse001113,BMET001113
19,covalent,SING,C22,C26,no,N,19,,20479,bmse001113,BMET001113
20,covalent,SING,C22,H81,no,N,20,,20479,bmse001113,BMET001113
21,covalent,SING,C14,C11,no,N,21,,20479,bmse001113,BMET001113
22,covalent,SING,C14,H78,no,N,22,,20479,bmse001113,BMET001113
23,covalent,SING,C14,H77,no,N,23,,20479,bmse001113,BMET001113
24,covalent,SING,C21,C25,no,N,24,,20479,bmse001113,BMET001113
25,covalent,DOUB,C21,C8,no,N,25,,20479,bmse001113,BMET001113
26,covalent,SING,C25,C30,no,N,26,,20479,bmse001113,BMET001113
27,covalent,SING,C25,C20,no,N,27,,20479,bmse001113,BMET001113
28,covalent,SING,C25,H65,no,N,28,,20479,bmse001113,BMET001113
29,covalent,SING,C11,H66,no,N,29,,20479,bmse001113,BMET001113
30,covalent,SING,C11,H80,no,N,30,,20479,bmse001113,BMET001113
31,covalent,SING,C30,C17,no,N,31,,20479,bmse001113,BMET001113
32,covalent,SING,C30,C15,no,N,32,,20479,bmse001113,BMET001113
33,covalent,SING,C30,C18,no,N,33,,20479,bmse001113,BMET001113
34,covalent,SING,C26,C24,no,N,34,,20479,bmse001113,BMET001113
35,covalent,SING,C26,C3,no,N,35,,20479,bmse001113,BMET001113
36,covalent,SING,C26,C4,no,N,36,,20479,bmse001113,BMET001113
37,covalent,SING,C16,C17,no,N,37,,20479,bmse001113,BMET001113
38,covalent,SING,C16,H59,no,N,38,,20479,bmse001113,BMET001113
39,covalent,SING,C16,H60,no,N,39,,20479,bmse001113,BMET001113
40,covalent,SING,C9,C8,no,N,40,,20479,bmse001113,BMET001113
41,covalent,SING,C9,H69,no,N,41,,20479,bmse001113,BMET001113
42,covalent,SING,C9,H70,no,N,42,,20479,bmse001113,BMET001113
43,covalent,SING,C13,C12,no,N,43,,20479,bmse001113,BMET001113
44,covalent,SING,C13,H55,no,N,44,,20479,bmse001113,BMET001113
45,covalent,SING,C13,H56,no,N,45,,20479,bmse001113,BMET001113
46,covalent,SING,C17,H63,no,N,46,,20479,bmse001113,BMET001113
47,covalent,SING,C17,H64,no,N,47,,20479,bmse001113,BMET001113
48,covalent,SING,C7,H71,no,N,48,,20479,bmse001113,BMET001113
49,covalent,SING,C7,H72,no,N,49,,20479,bmse001113,BMET001113
50,covalent,SING,C7,H52,no,N,50,,20479,bmse001113,BMET001113
51,covalent,SING,C8,H53,no,N,51,,20479,bmse001113,BMET001113
52,covalent,SING,C20,C19,no,N,52,,20479,bmse001113,BMET001113
53,covalent,SING,C20,C2,no,N,53,,20479,bmse001113,BMET001113
54,covalent,SING,C20,H51,no,N,54,,20479,bmse001113,BMET001113
55,covalent,SING,C24,C12,no,N,55,,20479,bmse001113,BMET001113
56,covalent,SING,C24,H54,no,N,56,,20479,bmse001113,BMET001113
57,covalent,SING,C5,H76,no,N,57,,20479,bmse001113,BMET001113
58,covalent,SING,C5,H79,no,N,58,,20479,bmse001113,BMET001113
59,covalent,SING,C5,H47,no,N,59,,20479,bmse001113,BMET001113
60,covalent,SING,C6,H46,no,N,60,,20479,bmse001113,BMET001113
61,covalent,SING,C6,H45,no,N,61,,20479,bmse001113,BMET001113
62,covalent,SING,C6,H49,no,N,62,,20479,bmse001113,BMET001113
63,covalent,SING,C12,H48,no,N,63,,20479,bmse001113,BMET001113
64,covalent,SING,C12,H50,no,N,64,,20479,bmse001113,BMET001113
65,covalent,SING,C15,C10,no,N,65,,20479,bmse001113,BMET001113
66,covalent,SING,C15,H61,no,N,66,,20479,bmse001113,BMET001113
67,covalent,SING,C15,H62,no,N,67,,20479,bmse001113,BMET001113
68,covalent,SING,C19,C10,no,N,68,,20479,bmse001113,BMET001113
69,covalent,SING,C19,C1,no,N,69,,20479,bmse001113,BMET001113
70,covalent,SING,C19,H67,no,N,70,,20479,bmse001113,BMET001113
71,covalent,SING,C10,H68,no,N,71,,20479,bmse001113,BMET001113
72,covalent,SING,C10,H75,no,N,72,,20479,bmse001113,BMET001113
73,covalent,SING,C18,H57,no,N,73,,20479,bmse001113,BMET001113
74,covalent,SING,C18,H58,no,N,74,,20479,bmse001113,BMET001113
75,covalent,SING,C3,H73,no,N,75,,20479,bmse001113,BMET001113
76,covalent,SING,C3,H74,no,N,76,,20479,bmse001113,BMET001113
77,covalent,SING,C3,H39,no,N,77,,20479,bmse001113,BMET001113
78,covalent,SING,C4,H41,no,N,78,,20479,bmse001113,BMET001113
79,covalent,SING,C4,H40,no,N,79,,20479,bmse001113,BMET001113
80,covalent,SING,C4,H44,no,N,80,,20479,bmse001113,BMET001113
81,covalent,SING,C2,H43,no,N,81,,20479,bmse001113,BMET001113
82,covalent,SING,C2,H42,no,N,82,,20479,bmse001113,BMET001113
83,covalent,SING,C2,H36,no,N,83,,20479,bmse001113,BMET001113
84,covalent,SING,C1,H38,no,N,84,,20479,bmse001113,BMET001113
85,covalent,SING,C1,H37,no,N,85,,20479,bmse001113,BMET001113
86,covalent,SING,C1,H33,no,N,86,,20479,bmse001113,BMET001113
1,ester,SING,O13,C11,no,N,1,,20500,bmse001114,BMET001114
2,covalent,SING,O13,H20,no,N,2,,20500,bmse001114,BMET001114
3,carbonyl,DOUB,O14,C11,no,N,3,,20500,bmse001114,BMET001114
4,covalent,AROM,N12,C10,yes,N,4,,20500,bmse001114,BMET001114
5,covalent,AROM,N12,C7,yes,N,5,,20500,bmse001114,BMET001114
6,covalent,SING,N12,H23,no,N,6,,20500,bmse001114,BMET001114
7,covalent,AROM,C9,C10,yes,N,7,,20500,bmse001114,BMET001114
8,covalent,AROM,C9,C8,yes,N,8,,20500,bmse001114,BMET001114
9,covalent,AROM,C9,C3,yes,N,9,,20500,bmse001114,BMET001114
10,covalent,AROM,C10,C4,yes,N,10,,20500,bmse001114,BMET001114
11,covalent,AROM,C8,C7,yes,N,11,,20500,bmse001114,BMET001114
12,covalent,SING,C8,C5,no,N,12,,20500,bmse001114,BMET001114
13,covalent,SING,C7,H22,no,N,13,,20500,bmse001114,BMET001114
14,covalent,AROM,C3,C1,yes,N,14,,20500,bmse001114,BMET001114
15,covalent,SING,C3,H21,no,N,15,,20500,bmse001114,BMET001114
16,covalent,AROM,C4,C2,yes,N,16,,20500,bmse001114,BMET001114
17,covalent,SING,C4,H17,no,N,17,,20500,bmse001114,BMET001114
18,covalent,DOUB,C5,C6,no,E,18,,20500,bmse001114,BMET001114
19,covalent,SING,C5,H18,no,N,19,,20500,bmse001114,BMET001114
20,covalent,AROM,C1,C2,yes,N,20,,20500,bmse001114,BMET001114
21,covalent,SING,C1,H19,no,N,21,,20500,bmse001114,BMET001114
22,covalent,SING,C2,H15,no,N,22,,20500,bmse001114,BMET001114
23,covalent,SING,C6,C11,no,N,23,,20500,bmse001114,BMET001114
24,covalent,SING,C6,H16,no,N,24,,20500,bmse001114,BMET001114
1,covalent,SING,P30,O27,no,N,1,,20520,bmse001115,BMET001115
2,covalent,SING,P30,O28,no,N,2,,20520,bmse001115,BMET001115
3,covalent,SING,P30,O24,no,N,3,,20520,bmse001115,BMET001115
4,covalent,DOUB,P30,O25,no,N,4,,20520,bmse001115,BMET001115
5,covalent,SING,O27,C15,no,N,5,,20520,bmse001115,BMET001115
6,covalent,SING,O28,C17,no,N,6,,20520,bmse001115,BMET001115
7,covalent,SING,O29,C18,no,N,7,,20520,bmse001115,BMET001115
8,ester,SING,O29,C20,no,N,8,,20520,bmse001115,BMET001115
9,covalent,SING,O26,C16,no,N,9,,20520,bmse001115,BMET001115
10,ester,SING,O26,C19,no,N,10,,20520,bmse001115,BMET001115
11,covalent,SING,O24,H47,no,N,11,,20520,bmse001115,BMET001115
12,carbonyl,DOUB,O23,C20,no,N,12,,20520,bmse001115,BMET001115
13,carbonyl,DOUB,O22,C19,no,N,13,,20520,bmse001115,BMET001115
14,covalent,SING,N21,C14,no,N,14,,20520,bmse001115,BMET001115
15,covalent,SING,N21,C3,no,N,15,,20520,bmse001115,BMET001115
16,covalent,SING,N21,C4,no,N,16,,20520,bmse001115,BMET001115
17,covalent,SING,N21,C5,no,N,17,,20520,bmse001115,BMET001115
18,covalent,SING,C14,C15,no,N,18,,20520,bmse001115,BMET001115
19,covalent,SING,C14,H71,no,N,19,,20520,bmse001115,BMET001115
20,covalent,SING,C14,H62,no,N,20,,20520,bmse001115,BMET001115
21,covalent,SING,C3,H63,no,N,21,,20520,bmse001115,BMET001115
22,covalent,SING,C3,H39,no,N,22,,20520,bmse001115,BMET001115
23,covalent,SING,C3,H38,no,N,23,,20520,bmse001115,BMET001115
24,covalent,SING,C4,H37,no,N,24,,20520,bmse001115,BMET001115
25,covalent,SING,C4,H42,no,N,25,,20520,bmse001115,BMET001115
26,covalent,SING,C4,H40,no,N,26,,20520,bmse001115,BMET001115
27,covalent,SING,C5,H41,no,N,27,,20520,bmse001115,BMET001115
28,covalent,SING,C5,H44,no,N,28,,20520,bmse001115,BMET001115
29,covalent,SING,C5,H45,no,N,29,,20520,bmse001115,BMET001115
30,covalent,SING,C15,H43,no,N,30,,20520,bmse001115,BMET001115
31,covalent,SING,C15,H64,no,N,31,,20520,bmse001115,BMET001115
32,covalent,SING,C18,C17,no,N,32,,20520,bmse001115,BMET001115
33,covalent,SING,C18,C16,no,N,33,,20520,bmse001115,BMET001115
34,covalent,SING,C18,H65,no,N,34,,20520,bmse001115,BMET001115
35,covalent,SING,C17,H70,no,N,35,,20520,bmse001115,BMET001115
36,covalent,SING,C17,H68,no,N,36,,20520,bmse001115,BMET001115
37,covalent,SING,C16,H69,no,N,37,,20520,bmse001115,BMET001115
38,covalent,SING,C16,H66,no,N,38,,20520,bmse001115,BMET001115
39,covalent,SING,C11,C9,no,N,39,,20520,bmse001115,BMET001115
40,covalent,SING,C11,C13,no,N,40,,20520,bmse001115,BMET001115
41,covalent,SING,C11,H67,no,N,41,,20520,bmse001115,BMET001115
42,covalent,SING,C11,H56,no,N,42,,20520,bmse001115,BMET001115
43,covalent,SING,C9,C7,no,N,43,,20520,bmse001115,BMET001115
44,covalent,SING,C9,H57,no,N,44,,20520,bmse001115,BMET001115
45,covalent,SING,C9,H52,no,N,45,,20520,bmse001115,BMET001115
46,covalent,SING,C13,C20,no,N,46,,20520,bmse001115,BMET001115
47,covalent,SING,C13,H53,no,N,47,,20520,bmse001115,BMET001115
48,covalent,SING,C13,H60,no,N,48,,20520,bmse001115,BMET001115
49,covalent,SING,C10,C8,no,N,49,,20520,bmse001115,BMET001115
50,covalent,SING,C10,C12,no,N,50,,20520,bmse001115,BMET001115
51,covalent,SING,C10,H61,no,N,51,,20520,bmse001115,BMET001115
52,covalent,SING,C10,H54,no,N,52,,20520,bmse001115,BMET001115
53,covalent,SING,C8,C6,no,N,53,,20520,bmse001115,BMET001115
54,covalent,SING,C8,H55,no,N,54,,20520,bmse001115,BMET001115
55,covalent,SING,C8,H50,no,N,55,,20520,bmse001115,BMET001115
56,covalent,SING,C12,C19,no,N,56,,20520,bmse001115,BMET001115
57,covalent,SING,C12,H51,no,N,57,,20520,bmse001115,BMET001115
58,covalent,SING,C12,H58,no,N,58,,20520,bmse001115,BMET001115
59,covalent,SING,C7,C2,no,N,59,,20520,bmse001115,BMET001115
60,covalent,SING,C7,H59,no,N,60,,20520,bmse001115,BMET001115
61,covalent,SING,C7,H48,no,N,61,,20520,bmse001115,BMET001115
62,covalent,SING,C6,C1,no,N,62,,20520,bmse001115,BMET001115
63,covalent,SING,C6,H49,no,N,63,,20520,bmse001115,BMET001115
64,covalent,SING,C6,H46,no,N,64,,20520,bmse001115,BMET001115
65,covalent,SING,C2,H34,no,N,65,,20520,bmse001115,BMET001115
66,covalent,SING,C2,H36,no,N,66,,20520,bmse001115,BMET001115
67,covalent,SING,C2,H35,no,N,67,,20520,bmse001115,BMET001115
68,covalent,SING,C1,H33,no,N,68,,20520,bmse001115,BMET001115
69,covalent,SING,C1,H31,no,N,69,,20520,bmse001115,BMET001115
70,covalent,SING,C1,H32,no,N,70,,20520,bmse001115,BMET001115
1,covalent,SING,C1,C3,no,N,1,,20541,bmse001116,BMET001116
2,covalent,SING,C3,C5,no,N,2,,20541,bmse001116,BMET001116
3,covalent,SING,C5,C7,no,N,3,,20541,bmse001116,BMET001116
4,covalent,SING,C7,C9,no,N,4,,20541,bmse001116,BMET001116
5,covalent,SING,C9,C11,no,N,5,,20541,bmse001116,BMET001116
6,covalent,SING,C11,C13,no,N,6,,20541,bmse001116,BMET001116
7,covalent,SING,C13,C15,no,N,7,,20541,bmse001116,BMET001116
8,covalent,SING,C15,C17,no,N,8,,20541,bmse001116,BMET001116
9,covalent,SING,C17,C19,no,N,9,,20541,bmse001116,BMET001116
10,covalent,SING,C19,C21,no,N,10,,20541,bmse001116,BMET001116
11,covalent,SING,C21,C23,no,N,11,,20541,bmse001116,BMET001116
12,covalent,SING,C23,C25,no,N,12,,20541,bmse001116,BMET001116
13,covalent,SING,C25,C27,no,N,13,,20541,bmse001116,BMET001116
14,covalent,SING,C27,C33,no,N,14,,20541,bmse001116,BMET001116
15,covalent,SING,C33,C44,no,N,15,,20541,bmse001116,BMET001116
16,carbonyl,DOUB,C44,O52,no,N,16,,20541,bmse001116,BMET001116
17,ester,SING,C44,O57,no,N,17,,20541,bmse001116,BMET001116
18,covalent,SING,O57,C37,no,N,18,,20541,bmse001116,BMET001116
19,covalent,SING,C37,C40,no,N,19,,20541,bmse001116,BMET001116
20,covalent,SING,C40,C38,no,N,20,,20541,bmse001116,BMET001116
21,covalent,SING,C38,O59,no,N,21,,20541,bmse001116,BMET001116
22,covalent,SING,O59,P61,no,N,22,,20541,bmse001116,BMET001116
23,covalent,DOUB,P61,O55,no,N,23,,20541,bmse001116,BMET001116
24,covalent,SING,P61,O56,no,N,24,,20541,bmse001116,BMET001116
25,covalent,SING,P61,O58,no,N,25,,20541,bmse001116,BMET001116
26,covalent,SING,O58,C36,no,N,26,,20541,bmse001116,BMET001116
27,covalent,SING,C36,C35,no,N,27,,20541,bmse001116,BMET001116
28,covalent,SING,C35,N48,no,N,28,,20541,bmse001116,BMET001116
29,amide,SING,N48,C43,no,N,29,,20541,bmse001116,BMET001116
30,carbonyl,DOUB,C43,O51,no,N,30,,20541,bmse001116,BMET001116
31,covalent,SING,C43,C32,no,N,31,,20541,bmse001116,BMET001116
32,covalent,SING,C32,C30,no,N,32,,20541,bmse001116,BMET001116
33,covalent,SING,C30,C29,no,N,33,,20541,bmse001116,BMET001116
34,covalent,SING,C29,C31,no,N,34,,20541,bmse001116,BMET001116
35,covalent,SING,C31,C42,no,N,35,,20541,bmse001116,BMET001116
36,covalent,SING,C42,C46,no,N,36,,20541,bmse001116,BMET001116
37,covalent,SING,C46,C41,no,N,37,,20541,bmse001116,BMET001116
38,covalent,SING,C41,C39,no,N,38,,20541,bmse001116,BMET001116
39,covalent,SING,C39,S62,no,N,39,,20541,bmse001116,BMET001116
40,covalent,SING,S62,C42,no,N,40,,20541,bmse001116,BMET001116
41,covalent,SING,C41,N49,no,N,41,,20541,bmse001116,BMET001116
42,amide,SING,N49,C47,no,N,42,,20541,bmse001116,BMET001116
43,carbonyl,DOUB,C47,O54,no,N,43,,20541,bmse001116,BMET001116
44,amide,SING,C47,N50,no,N,44,,20541,bmse001116,BMET001116
45,covalent,SING,N50,C46,no,N,45,,20541,bmse001116,BMET001116
46,covalent,SING,C40,O60,no,N,46,,20541,bmse001116,BMET001116
47,ester,SING,O60,C45,no,N,47,,20541,bmse001116,BMET001116
48,carbonyl,DOUB,C45,O53,no,N,48,,20541,bmse001116,BMET001116
49,covalent,SING,C45,C34,no,N,49,,20541,bmse001116,BMET001116
50,covalent,SING,C34,C28,no,N,50,,20541,bmse001116,BMET001116
51,covalent,SING,C28,C26,no,N,51,,20541,bmse001116,BMET001116
52,covalent,SING,C26,C24,no,N,52,,20541,bmse001116,BMET001116
53,covalent,SING,C24,C22,no,N,53,,20541,bmse001116,BMET001116
54,covalent,SING,C22,C20,no,N,54,,20541,bmse001116,BMET001116
55,covalent,SING,C20,C18,no,N,55,,20541,bmse001116,BMET001116
56,covalent,SING,C18,C16,no,N,56,,20541,bmse001116,BMET001116
57,covalent,SING,C16,C14,no,N,57,,20541,bmse001116,BMET001116
58,covalent,SING,C14,C12,no,N,58,,20541,bmse001116,BMET001116
59,covalent,SING,C12,C10,no,N,59,,20541,bmse001116,BMET001116
60,covalent,SING,C10,C8,no,N,60,,20541,bmse001116,BMET001116
61,covalent,SING,C8,C6,no,N,61,,20541,bmse001116,BMET001116
62,covalent,SING,C6,C4,no,N,62,,20541,bmse001116,BMET001116
63,covalent,SING,C4,C2,no,N,63,,20541,bmse001116,BMET001116
64,covalent,SING,C1,H64,no,N,64,,20541,bmse001116,BMET001116
65,covalent,SING,C1,H63,no,N,65,,20541,bmse001116,BMET001116
66,covalent,SING,C1,H65,no,N,66,,20541,bmse001116,BMET001116
67,covalent,SING,C3,H69,no,N,67,,20541,bmse001116,BMET001116
68,covalent,SING,C3,H70,no,N,68,,20541,bmse001116,BMET001116
69,covalent,SING,C5,H73,no,N,69,,20541,bmse001116,BMET001116
70,covalent,SING,C5,H74,no,N,70,,20541,bmse001116,BMET001116
71,covalent,SING,C7,H77,no,N,71,,20541,bmse001116,BMET001116
72,covalent,SING,C7,H78,no,N,72,,20541,bmse001116,BMET001116
73,covalent,SING,C9,H81,no,N,73,,20541,bmse001116,BMET001116
74,covalent,SING,C9,H82,no,N,74,,20541,bmse001116,BMET001116
75,covalent,SING,C11,H85,no,N,75,,20541,bmse001116,BMET001116
76,covalent,SING,C11,H86,no,N,76,,20541,bmse001116,BMET001116
77,covalent,SING,C13,H89,no,N,77,,20541,bmse001116,BMET001116
78,covalent,SING,C13,H90,no,N,78,,20541,bmse001116,BMET001116
79,covalent,SING,C15,H93,no,N,79,,20541,bmse001116,BMET001116
80,covalent,SING,C15,H94,no,N,80,,20541,bmse001116,BMET001116
81,covalent,SING,C17,H97,no,N,81,,20541,bmse001116,BMET001116
82,covalent,SING,C17,H98,no,N,82,,20541,bmse001116,BMET001116
83,covalent,SING,C19,H101,no,N,83,,20541,bmse001116,BMET001116
84,covalent,SING,C19,H102,no,N,84,,20541,bmse001116,BMET001116
85,covalent,SING,C21,H105,no,N,85,,20541,bmse001116,BMET001116
86,covalent,SING,C21,H106,no,N,86,,20541,bmse001116,BMET001116
87,covalent,SING,C23,H109,no,N,87,,20541,bmse001116,BMET001116
88,covalent,SING,C23,H110,no,N,88,,20541,bmse001116,BMET001116
89,covalent,SING,C25,H113,no,N,89,,20541,bmse001116,BMET001116
90,covalent,SING,C25,H114,no,N,90,,20541,bmse001116,BMET001116
91,covalent,SING,C27,H117,no,N,91,,20541,bmse001116,BMET001116
92,covalent,SING,C27,H118,no,N,92,,20541,bmse001116,BMET001116
93,covalent,SING,C33,H129,no,N,93,,20541,bmse001116,BMET001116
94,covalent,SING,C33,H130,no,N,94,,20541,bmse001116,BMET001116
95,covalent,SING,C37,H137,no,N,95,,20541,bmse001116,BMET001116
96,covalent,SING,C37,H138,no,N,96,,20541,bmse001116,BMET001116
97,covalent,SING,C40,H143,no,N,97,,20541,bmse001116,BMET001116
98,covalent,SING,C38,H139,no,N,98,,20541,bmse001116,BMET001116
99,covalent,SING,C38,H140,no,N,99,,20541,bmse001116,BMET001116
100,covalent,SING,C36,H135,no,N,100,,20541,bmse001116,BMET001116
101,covalent,SING,C36,H136,no,N,101,,20541,bmse001116,BMET001116
102,covalent,SING,C35,H133,no,N,102,,20541,bmse001116,BMET001116
103,covalent,SING,C35,H134,no,N,103,,20541,bmse001116,BMET001116
104,covalent,SING,N48,H147,no,N,104,,20541,bmse001116,BMET001116
105,covalent,SING,C32,H127,no,N,105,,20541,bmse001116,BMET001116
106,covalent,SING,C32,H128,no,N,106,,20541,bmse001116,BMET001116
107,covalent,SING,C30,H123,no,N,107,,20541,bmse001116,BMET001116
108,covalent,SING,C30,H124,no,N,108,,20541,bmse001116,BMET001116
109,covalent,SING,C29,H121,no,N,109,,20541,bmse001116,BMET001116
110,covalent,SING,C29,H122,no,N,110,,20541,bmse001116,BMET001116
111,covalent,SING,C31,H125,no,N,111,,20541,bmse001116,BMET001116
112,covalent,SING,C31,H126,no,N,112,,20541,bmse001116,BMET001116
113,covalent,SING,C42,H145,no,N,113,,20541,bmse001116,BMET001116
114,covalent,SING,C46,H146,no,N,114,,20541,bmse001116,BMET001116
115,covalent,SING,C41,H144,no,N,115,,20541,bmse001116,BMET001116
116,covalent,SING,C39,H141,no,N,116,,20541,bmse001116,BMET001116
117,covalent,SING,C39,H142,no,N,117,,20541,bmse001116,BMET001116
118,covalent,SING,N49,H148,no,N,118,,20541,bmse001116,BMET001116
119,covalent,SING,N50,H149,no,N,119,,20541,bmse001116,BMET001116
120,covalent,SING,C34,H131,no,N,120,,20541,bmse001116,BMET001116
121,covalent,SING,C34,H132,no,N,121,,20541,bmse001116,BMET001116
122,covalent,SING,C28,H119,no,N,122,,20541,bmse001116,BMET001116
123,covalent,SING,C28,H120,no,N,123,,20541,bmse001116,BMET001116
124,covalent,SING,C26,H115,no,N,124,,20541,bmse001116,BMET001116
125,covalent,SING,C26,H116,no,N,125,,20541,bmse001116,BMET001116
126,covalent,SING,C24,H111,no,N,126,,20541,bmse001116,BMET001116
127,covalent,SING,C24,H112,no,N,127,,20541,bmse001116,BMET001116
128,covalent,SING,C22,H107,no,N,128,,20541,bmse001116,BMET001116
129,covalent,SING,C22,H108,no,N,129,,20541,bmse001116,BMET001116
130,covalent,SING,C20,H103,no,N,130,,20541,bmse001116,BMET001116
131,covalent,SING,C20,H104,no,N,131,,20541,bmse001116,BMET001116
132,covalent,SING,C18,H99,no,N,132,,20541,bmse001116,BMET001116
133,covalent,SING,C18,H100,no,N,133,,20541,bmse001116,BMET001116
134,covalent,SING,C16,H95,no,N,134,,20541,bmse001116,BMET001116
135,covalent,SING,C16,H96,no,N,135,,20541,bmse001116,BMET001116
136,covalent,SING,C14,H91,no,N,136,,20541,bmse001116,BMET001116
137,covalent,SING,C14,H92,no,N,137,,20541,bmse001116,BMET001116
138,covalent,SING,C12,H87,no,N,138,,20541,bmse001116,BMET001116
139,covalent,SING,C12,H88,no,N,139,,20541,bmse001116,BMET001116
140,covalent,SING,C10,H83,no,N,140,,20541,bmse001116,BMET001116
141,covalent,SING,C10,H84,no,N,141,,20541,bmse001116,BMET001116
142,covalent,SING,C8,H79,no,N,142,,20541,bmse001116,BMET001116
143,covalent,SING,C8,H80,no,N,143,,20541,bmse001116,BMET001116
144,covalent,SING,C6,H75,no,N,144,,20541,bmse001116,BMET001116
145,covalent,SING,C6,H76,no,N,145,,20541,bmse001116,BMET001116
146,covalent,SING,C4,H71,no,N,146,,20541,bmse001116,BMET001116
147,covalent,SING,C4,H72,no,N,147,,20541,bmse001116,BMET001116
148,covalent,SING,C2,H66,no,N,148,,20541,bmse001116,BMET001116
149,covalent,SING,C2,H68,no,N,149,,20541,bmse001116,BMET001116
150,covalent,SING,C2,H67,no,N,150,,20541,bmse001116,BMET001116
1,covalent,SING,C1,C2,no,N,1,,20562,bmse001117,BMET001117
2,covalent,SING,C2,C3,no,N,2,,20562,bmse001117,BMET001117
3,covalent,SING,C3,C4,no,N,3,,20562,bmse001117,BMET001117
4,covalent,SING,C4,C5,no,N,4,,20562,bmse001117,BMET001117
5,covalent,SING,C5,C6,no,N,5,,20562,bmse001117,BMET001117
6,covalent,SING,C6,C7,no,N,6,,20562,bmse001117,BMET001117
7,covalent,SING,C7,C8,no,N,7,,20562,bmse001117,BMET001117
8,covalent,SING,C8,C9,no,N,8,,20562,bmse001117,BMET001117
9,covalent,SING,C9,C10,no,N,9,,20562,bmse001117,BMET001117
10,covalent,SING,C10,C11,no,N,10,,20562,bmse001117,BMET001117
11,covalent,SING,C11,C12,no,N,11,,20562,bmse001117,BMET001117
12,covalent,SING,C12,C13,no,N,12,,20562,bmse001117,BMET001117
13,covalent,SING,C13,C14,no,N,13,,20562,bmse001117,BMET001117
14,covalent,SING,C14,C15,no,N,14,,20562,bmse001117,BMET001117
15,covalent,SING,C15,C16,no,N,15,,20562,bmse001117,BMET001117
16,carbonyl,DOUB,C16,O17,no,N,16,,20562,bmse001117,BMET001117
17,ester,SING,C16,O18,no,N,17,,20562,bmse001117,BMET001117
18,covalent,SING,O18,C19,no,N,18,,20562,bmse001117,BMET001117
19,covalent,SING,C19,C20,no,N,19,,20562,bmse001117,BMET001117
20,covalent,SING,C20,H21,no,N,20,,20562,bmse001117,BMET001117
21,covalent,SING,C20,C22,no,N,21,,20562,bmse001117,BMET001117
22,covalent,SING,C22,O23,no,N,22,,20562,bmse001117,BMET001117
23,covalent,SING,O23,P24,no,N,23,,20562,bmse001117,BMET001117
24,covalent,DOUB,P24,O25,no,N,24,,20562,bmse001117,BMET001117
25,covalent,SING,P24,O26,no,N,25,,20562,bmse001117,BMET001117
26,covalent,SING,P24,O27,no,N,26,,20562,bmse001117,BMET001117
27,covalent,SING,O27,C28,no,N,27,,20562,bmse001117,BMET001117
28,covalent,SING,C28,C29,no,N,28,,20562,bmse001117,BMET001117
29,covalent,SING,C29,N30,no,N,29,,20562,bmse001117,BMET001117
30,amide,SING,N30,C31,no,N,30,,20562,bmse001117,BMET001117
31,carbonyl,DOUB,C31,O32,no,N,31,,20562,bmse001117,BMET001117
32,covalent,SING,C31,C33,no,N,32,,20562,bmse001117,BMET001117
33,covalent,SING,C33,C34,no,N,33,,20562,bmse001117,BMET001117
34,covalent,SING,C34,C35,no,N,34,,20562,bmse001117,BMET001117
35,carbonyl,DOUB,C35,O36,no,N,35,,20562,bmse001117,BMET001117
36,ester,SING,C35,O37,no,N,36,,20562,bmse001117,BMET001117
37,covalent,SING,C20,O38,no,N,37,,20562,bmse001117,BMET001117
38,ester,SING,O38,C39,no,N,38,,20562,bmse001117,BMET001117
39,carbonyl,DOUB,C39,O40,no,N,39,,20562,bmse001117,BMET001117
40,covalent,SING,C39,C41,no,N,40,,20562,bmse001117,BMET001117
41,covalent,SING,C41,C42,no,N,41,,20562,bmse001117,BMET001117
42,covalent,SING,C42,C43,no,N,42,,20562,bmse001117,BMET001117
43,covalent,SING,C43,C44,no,N,43,,20562,bmse001117,BMET001117
44,covalent,SING,C44,C45,no,N,44,,20562,bmse001117,BMET001117
45,covalent,SING,C45,C46,no,N,45,,20562,bmse001117,BMET001117
46,covalent,SING,C46,C47,no,N,46,,20562,bmse001117,BMET001117
47,covalent,SING,C47,C48,no,N,47,,20562,bmse001117,BMET001117
48,covalent,SING,C48,C49,no,N,48,,20562,bmse001117,BMET001117
49,covalent,SING,C49,C50,no,N,49,,20562,bmse001117,BMET001117
50,covalent,SING,C50,C51,no,N,50,,20562,bmse001117,BMET001117
51,covalent,SING,C51,C52,no,N,51,,20562,bmse001117,BMET001117
52,covalent,SING,C52,C53,no,N,52,,20562,bmse001117,BMET001117
53,covalent,SING,C53,C54,no,N,53,,20562,bmse001117,BMET001117
54,covalent,SING,C54,C55,no,N,54,,20562,bmse001117,BMET001117
55,covalent,SING,C1,H57,no,N,55,,20562,bmse001117,BMET001117
56,covalent,SING,C1,H58,no,N,56,,20562,bmse001117,BMET001117
57,covalent,SING,C1,H59,no,N,57,,20562,bmse001117,BMET001117
58,covalent,SING,C2,H60,no,N,58,,20562,bmse001117,BMET001117
59,covalent,SING,C2,H61,no,N,59,,20562,bmse001117,BMET001117
60,covalent,SING,C3,H62,no,N,60,,20562,bmse001117,BMET001117
61,covalent,SING,C3,H63,no,N,61,,20562,bmse001117,BMET001117
62,covalent,SING,C4,H64,no,N,62,,20562,bmse001117,BMET001117
63,covalent,SING,C4,H65,no,N,63,,20562,bmse001117,BMET001117
64,covalent,SING,C5,H66,no,N,64,,20562,bmse001117,BMET001117
65,covalent,SING,C5,H67,no,N,65,,20562,bmse001117,BMET001117
66,covalent,SING,C6,H68,no,N,66,,20562,bmse001117,BMET001117
67,covalent,SING,C6,H69,no,N,67,,20562,bmse001117,BMET001117
68,covalent,SING,C7,H70,no,N,68,,20562,bmse001117,BMET001117
69,covalent,SING,C7,H71,no,N,69,,20562,bmse001117,BMET001117
70,covalent,SING,C8,H72,no,N,70,,20562,bmse001117,BMET001117
71,covalent,SING,C8,H73,no,N,71,,20562,bmse001117,BMET001117
72,covalent,SING,C9,H74,no,N,72,,20562,bmse001117,BMET001117
73,covalent,SING,C9,H75,no,N,73,,20562,bmse001117,BMET001117
74,covalent,SING,C10,H76,no,N,74,,20562,bmse001117,BMET001117
75,covalent,SING,C10,H77,no,N,75,,20562,bmse001117,BMET001117
76,covalent,SING,C11,H78,no,N,76,,20562,bmse001117,BMET001117
77,covalent,SING,C11,H79,no,N,77,,20562,bmse001117,BMET001117
78,covalent,SING,C12,H80,no,N,78,,20562,bmse001117,BMET001117
79,covalent,SING,C12,H81,no,N,79,,20562,bmse001117,BMET001117
80,covalent,SING,C13,H82,no,N,80,,20562,bmse001117,BMET001117
81,covalent,SING,C13,H83,no,N,81,,20562,bmse001117,BMET001117
82,covalent,SING,C14,H84,no,N,82,,20562,bmse001117,BMET001117
83,covalent,SING,C14,H85,no,N,83,,20562,bmse001117,BMET001117
84,covalent,SING,C15,H86,no,N,84,,20562,bmse001117,BMET001117
85,covalent,SING,C15,H87,no,N,85,,20562,bmse001117,BMET001117
86,covalent,SING,C19,H88,no,N,86,,20562,bmse001117,BMET001117
87,covalent,SING,C19,H89,no,N,87,,20562,bmse001117,BMET001117
88,covalent,SING,C22,H90,no,N,88,,20562,bmse001117,BMET001117
89,covalent,SING,C22,H91,no,N,89,,20562,bmse001117,BMET001117
90,covalent,SING,C28,H92,no,N,90,,20562,bmse001117,BMET001117
91,covalent,SING,C28,H93,no,N,91,,20562,bmse001117,BMET001117
92,covalent,SING,C29,H94,no,N,92,,20562,bmse001117,BMET001117
93,covalent,SING,C29,H95,no,N,93,,20562,bmse001117,BMET001117
94,covalent,SING,N30,H96,no,N,94,,20562,bmse001117,BMET001117
95,covalent,SING,C33,H97,no,N,95,,20562,bmse001117,BMET001117
96,covalent,SING,C33,H98,no,N,96,,20562,bmse001117,BMET001117
97,covalent,SING,C34,H99,no,N,97,,20562,bmse001117,BMET001117
98,covalent,SING,C34,H100,no,N,98,,20562,bmse001117,BMET001117
99,covalent,SING,O37,H101,no,N,99,,20562,bmse001117,BMET001117
100,covalent,SING,C41,H102,no,N,100,,20562,bmse001117,BMET001117
101,covalent,SING,C41,H103,no,N,101,,20562,bmse001117,BMET001117
102,covalent,SING,C42,H104,no,N,102,,20562,bmse001117,BMET001117
103,covalent,SING,C42,H105,no,N,103,,20562,bmse001117,BMET001117
104,covalent,SING,C43,H106,no,N,104,,20562,bmse001117,BMET001117
105,covalent,SING,C43,H107,no,N,105,,20562,bmse001117,BMET001117
106,covalent,SING,C44,H108,no,N,106,,20562,bmse001117,BMET001117
107,covalent,SING,C44,H109,no,N,107,,20562,bmse001117,BMET001117
108,covalent,SING,C45,H110,no,N,108,,20562,bmse001117,BMET001117
109,covalent,SING,C45,H111,no,N,109,,20562,bmse001117,BMET001117
110,covalent,SING,C46,H112,no,N,110,,20562,bmse001117,BMET001117
111,covalent,SING,C46,H113,no,N,111,,20562,bmse001117,BMET001117
112,covalent,SING,C47,H114,no,N,112,,20562,bmse001117,BMET001117
113,covalent,SING,C47,H115,no,N,113,,20562,bmse001117,BMET001117
114,covalent,SING,C48,H116,no,N,114,,20562,bmse001117,BMET001117
115,covalent,SING,C48,H117,no,N,115,,20562,bmse001117,BMET001117
116,covalent,SING,C49,H118,no,N,116,,20562,bmse001117,BMET001117
117,covalent,SING,C49,H119,no,N,117,,20562,bmse001117,BMET001117
118,covalent,SING,C50,H120,no,N,118,,20562,bmse001117,BMET001117
119,covalent,SING,C50,H121,no,N,119,,20562,bmse001117,BMET001117
120,covalent,SING,C51,H122,no,N,120,,20562,bmse001117,BMET001117
121,covalent,SING,C51,H123,no,N,121,,20562,bmse001117,BMET001117
122,covalent,SING,C52,H124,no,N,122,,20562,bmse001117,BMET001117
123,covalent,SING,C52,H125,no,N,123,,20562,bmse001117,BMET001117
124,covalent,SING,C53,H126,no,N,124,,20562,bmse001117,BMET001117
125,covalent,SING,C53,H127,no,N,125,,20562,bmse001117,BMET001117
126,covalent,SING,C54,H128,no,N,126,,20562,bmse001117,BMET001117
127,covalent,SING,C54,H129,no,N,127,,20562,bmse001117,BMET001117
128,covalent,SING,C55,H130,no,N,128,,20562,bmse001117,BMET001117
129,covalent,SING,C55,H131,no,N,129,,20562,bmse001117,BMET001117
130,covalent,SING,C55,H132,no,N,130,,20562,bmse001117,BMET001117
1,covalent,SING,C2,H1,no,N,1,,20583,bmse001118,BMET001118
2,covalent,SING,C2,C3,no,N,2,,20583,bmse001118,BMET001118
3,covalent,SING,C3,C4,no,N,3,,20583,bmse001118,BMET001118
4,covalent,SING,C4,C5,no,N,4,,20583,bmse001118,BMET001118
5,covalent,SING,C5,H6,no,N,5,,20583,bmse001118,BMET001118
6,covalent,SING,C5,C7,no,N,6,,20583,bmse001118,BMET001118
7,covalent,SING,C7,H8,no,N,7,,20583,bmse001118,BMET001118
8,covalent,SING,C7,C9,no,N,8,,20583,bmse001118,BMET001118
9,covalent,SING,C9,C10,no,N,9,,20583,bmse001118,BMET001118
10,covalent,SING,C10,C11,no,N,10,,20583,bmse001118,BMET001118
11,carbonyl,DOUB,C11,O12,no,N,11,,20583,bmse001118,BMET001118
12,covalent,SING,C11,C13,no,N,12,,20583,bmse001118,BMET001118
13,covalent,SING,C7,C13,no,N,13,,20583,bmse001118,BMET001118
14,covalent,SING,C13,C14,no,N,14,,20583,bmse001118,BMET001118
15,covalent,SING,C13,C15,no,N,15,,20583,bmse001118,BMET001118
16,covalent,SING,C15,C16,no,N,16,,20583,bmse001118,BMET001118
17,covalent,SING,C16,C17,no,N,17,,20583,bmse001118,BMET001118
18,covalent,SING,C5,C17,no,N,18,,20583,bmse001118,BMET001118
19,covalent,SING,C17,H18,no,N,19,,20583,bmse001118,BMET001118
20,covalent,SING,C17,C19,no,N,20,,20583,bmse001118,BMET001118
21,covalent,SING,C2,C19,no,N,21,,20583,bmse001118,BMET001118
22,covalent,SING,C19,C20,no,N,22,,20583,bmse001118,BMET001118
23,covalent,SING,C19,C21,no,N,23,,20583,bmse001118,BMET001118
24,covalent,SING,C21,C22,no,N,24,,20583,bmse001118,BMET001118
25,covalent,SING,C22,C23,no,N,25,,20583,bmse001118,BMET001118
26,covalent,SING,C23,H24,no,N,26,,20583,bmse001118,BMET001118
27,covalent,SING,C23,O25,no,N,27,,20583,bmse001118,BMET001118
28,covalent,SING,O25,S26,no,N,28,,20583,bmse001118,BMET001118
29,covalent,DOUB,S26,O27,no,N,29,,20583,bmse001118,BMET001118
30,covalent,DOUB,S26,O28,no,N,30,,20583,bmse001118,BMET001118
31,covalent,SING,S26,O29,no,N,31,,20583,bmse001118,BMET001118
32,covalent,SING,C23,C30,no,N,32,,20583,bmse001118,BMET001118
33,covalent,SING,C2,C30,no,N,33,,20583,bmse001118,BMET001118
34,covalent,SING,C3,H32,no,N,34,,20583,bmse001118,BMET001118
35,covalent,SING,C3,H33,no,N,35,,20583,bmse001118,BMET001118
36,covalent,SING,C4,H34,no,N,36,,20583,bmse001118,BMET001118
37,covalent,SING,C4,H35,no,N,37,,20583,bmse001118,BMET001118
38,covalent,SING,C9,H36,no,N,38,,20583,bmse001118,BMET001118
39,covalent,SING,C9,H37,no,N,39,,20583,bmse001118,BMET001118
40,covalent,SING,C10,H38,no,N,40,,20583,bmse001118,BMET001118
41,covalent,SING,C10,H39,no,N,41,,20583,bmse001118,BMET001118
42,covalent,SING,C14,H40,no,N,42,,20583,bmse001118,BMET001118
43,covalent,SING,C14,H41,no,N,43,,20583,bmse001118,BMET001118
44,covalent,SING,C14,H42,no,N,44,,20583,bmse001118,BMET001118
45,covalent,SING,C15,H43,no,N,45,,20583,bmse001118,BMET001118
46,covalent,SING,C15,H44,no,N,46,,20583,bmse001118,BMET001118
47,covalent,SING,C16,H45,no,N,47,,20583,bmse001118,BMET001118
48,covalent,SING,C16,H46,no,N,48,,20583,bmse001118,BMET001118
49,covalent,SING,C20,H47,no,N,49,,20583,bmse001118,BMET001118
50,covalent,SING,C20,H48,no,N,50,,20583,bmse001118,BMET001118
51,covalent,SING,C20,H49,no,N,51,,20583,bmse001118,BMET001118
52,covalent,SING,C21,H50,no,N,52,,20583,bmse001118,BMET001118
53,covalent,SING,C21,H51,no,N,53,,20583,bmse001118,BMET001118
54,covalent,SING,C22,H52,no,N,54,,20583,bmse001118,BMET001118
55,covalent,SING,C22,H53,no,N,55,,20583,bmse001118,BMET001118
56,covalent,SING,C30,H54,no,N,56,,20583,bmse001118,BMET001118
57,covalent,SING,C30,H55,no,N,57,,20583,bmse001118,BMET001118
1,covalent,SING,P52,O49,no,N,1,,20604,bmse001119,BMET001119
2,covalent,SING,P52,O50,no,N,2,,20604,bmse001119,BMET001119
3,covalent,SING,P52,O46,no,N,3,,20604,bmse001119,BMET001119
4,covalent,DOUB,P52,O47,no,N,4,,20604,bmse001119,BMET001119
5,covalent,SING,O49,C37,no,N,5,,20604,bmse001119,BMET001119
6,ester,SING,O48,C41,no,N,6,,20604,bmse001119,BMET001119
7,covalent,SING,O48,C38,no,N,7,,20604,bmse001119,BMET001119
8,covalent,SING,C40,O51,no,N,8,,20604,bmse001119,BMET001119
9,ester,SING,O51,C42,no,N,9,,20604,bmse001119,BMET001119
10,covalent,SING,O50,C39,no,N,10,,20604,bmse001119,BMET001119
11,carbonyl,DOUB,O44,C41,no,N,11,,20604,bmse001119,BMET001119
12,carbonyl,DOUB,O45,C42,no,N,12,,20604,bmse001119,BMET001119
13,covalent,SING,N43,C36,no,N,13,,20604,bmse001119,BMET001119
14,covalent,SING,N43,C3,no,N,14,,20604,bmse001119,BMET001119
15,covalent,SING,N43,C4,no,N,15,,20604,bmse001119,BMET001119
16,covalent,SING,N43,C5,no,N,16,,20604,bmse001119,BMET001119
17,covalent,SING,C22,C19,no,N,17,,20604,bmse001119,BMET001119
18,covalent,SING,C22,C24,no,N,18,,20604,bmse001119,BMET001119
19,covalent,SING,C22,H98,no,N,19,,20604,bmse001119,BMET001119
20,covalent,SING,C22,H99,no,N,20,,20604,bmse001119,BMET001119
21,covalent,SING,C19,C17,no,N,21,,20604,bmse001119,BMET001119
22,covalent,SING,C19,H94,no,N,22,,20604,bmse001119,BMET001119
23,covalent,SING,C19,H95,no,N,23,,20604,bmse001119,BMET001119
24,covalent,SING,C24,C26,no,N,24,,20604,bmse001119,BMET001119
25,covalent,SING,C24,H102,no,N,25,,20604,bmse001119,BMET001119
26,covalent,SING,C24,H103,no,N,26,,20604,bmse001119,BMET001119
27,covalent,SING,C17,C15,no,N,27,,20604,bmse001119,BMET001119
28,covalent,SING,C17,H90,no,N,28,,20604,bmse001119,BMET001119
29,covalent,SING,C17,H91,no,N,29,,20604,bmse001119,BMET001119
30,covalent,SING,C26,C28,no,N,30,,20604,bmse001119,BMET001119
31,covalent,SING,C26,H106,no,N,31,,20604,bmse001119,BMET001119
32,covalent,SING,C26,H107,no,N,32,,20604,bmse001119,BMET001119
33,covalent,SING,C15,C13,no,N,33,,20604,bmse001119,BMET001119
34,covalent,SING,C15,H86,no,N,34,,20604,bmse001119,BMET001119
35,covalent,SING,C15,H87,no,N,35,,20604,bmse001119,BMET001119
36,covalent,SING,C28,C30,no,N,36,,20604,bmse001119,BMET001119
37,covalent,SING,C28,H110,no,N,37,,20604,bmse001119,BMET001119
38,covalent,SING,C28,H111,no,N,38,,20604,bmse001119,BMET001119
39,covalent,SING,C13,C11,no,N,39,,20604,bmse001119,BMET001119
40,covalent,SING,C13,H82,no,N,40,,20604,bmse001119,BMET001119
41,covalent,SING,C13,H83,no,N,41,,20604,bmse001119,BMET001119
42,covalent,SING,C30,C32,no,N,42,,20604,bmse001119,BMET001119
43,covalent,SING,C30,H114,no,N,43,,20604,bmse001119,BMET001119
44,covalent,SING,C30,H115,no,N,44,,20604,bmse001119,BMET001119
45,covalent,SING,C11,C9,no,N,45,,20604,bmse001119,BMET001119
46,covalent,SING,C11,H78,no,N,46,,20604,bmse001119,BMET001119
47,covalent,SING,C11,H79,no,N,47,,20604,bmse001119,BMET001119
48,covalent,SING,C36,C37,no,N,48,,20604,bmse001119,BMET001119
49,covalent,SING,C36,H126,no,N,49,,20604,bmse001119,BMET001119
50,covalent,SING,C36,H127,no,N,50,,20604,bmse001119,BMET001119
51,covalent,SING,C9,C7,no,N,51,,20604,bmse001119,BMET001119
52,covalent,SING,C9,H74,no,N,52,,20604,bmse001119,BMET001119
53,covalent,SING,C9,H75,no,N,53,,20604,bmse001119,BMET001119
54,covalent,SING,C32,C34,no,N,54,,20604,bmse001119,BMET001119
55,covalent,SING,C32,H118,no,N,55,,20604,bmse001119,BMET001119
56,covalent,SING,C32,H119,no,N,56,,20604,bmse001119,BMET001119
57,covalent,SING,C3,H61,no,N,57,,20604,bmse001119,BMET001119
58,covalent,SING,C3,H59,no,N,58,,20604,bmse001119,BMET001119
59,covalent,SING,C3,H67,no,N,59,,20604,bmse001119,BMET001119
60,covalent,SING,C4,H60,no,N,60,,20604,bmse001119,BMET001119
61,covalent,SING,C4,H62,no,N,61,,20604,bmse001119,BMET001119
62,covalent,SING,C4,H64,no,N,62,,20604,bmse001119,BMET001119
63,covalent,SING,C5,H63,no,N,63,,20604,bmse001119,BMET001119
64,covalent,SING,C5,H65,no,N,64,,20604,bmse001119,BMET001119
65,covalent,SING,C5,H66,no,N,65,,20604,bmse001119,BMET001119
66,covalent,SING,C37,H128,no,N,66,,20604,bmse001119,BMET001119
67,covalent,SING,C37,H129,no,N,67,,20604,bmse001119,BMET001119
68,covalent,SING,C7,C2,no,N,68,,20604,bmse001119,BMET001119
69,covalent,SING,C7,H70,no,N,69,,20604,bmse001119,BMET001119
70,covalent,SING,C7,H71,no,N,70,,20604,bmse001119,BMET001119
71,covalent,SING,C34,C41,no,N,71,,20604,bmse001119,BMET001119
72,covalent,SING,C34,H122,no,N,72,,20604,bmse001119,BMET001119
73,covalent,SING,C34,H123,no,N,73,,20604,bmse001119,BMET001119
74,covalent,SING,C29,C27,no,N,74,,20604,bmse001119,BMET001119
75,covalent,SING,C29,C31,no,N,75,,20604,bmse001119,BMET001119
76,covalent,SING,C29,H112,no,N,76,,20604,bmse001119,BMET001119
77,covalent,SING,C29,H113,no,N,77,,20604,bmse001119,BMET001119
78,covalent,SING,C27,C25,no,N,78,,20604,bmse001119,BMET001119
79,covalent,SING,C27,H108,no,N,79,,20604,bmse001119,BMET001119
80,covalent,SING,C27,H109,no,N,80,,20604,bmse001119,BMET001119
81,covalent,SING,C31,C33,no,N,81,,20604,bmse001119,BMET001119
82,covalent,SING,C31,H116,no,N,82,,20604,bmse001119,BMET001119
83,covalent,SING,C31,H117,no,N,83,,20604,bmse001119,BMET001119
84,covalent,SING,C25,C23,no,N,84,,20604,bmse001119,BMET001119
85,covalent,SING,C25,H104,no,N,85,,20604,bmse001119,BMET001119
86,covalent,SING,C25,H105,no,N,86,,20604,bmse001119,BMET001119
87,covalent,SING,C14,C12,no,N,87,,20604,bmse001119,BMET001119
88,covalent,SING,C14,C16,no,N,88,,20604,bmse001119,BMET001119
89,covalent,SING,C14,H84,no,N,89,,20604,bmse001119,BMET001119
90,covalent,SING,C14,H85,no,N,90,,20604,bmse001119,BMET001119
91,covalent,SING,C12,C10,no,N,91,,20604,bmse001119,BMET001119
92,covalent,SING,C12,H80,no,N,92,,20604,bmse001119,BMET001119
93,covalent,SING,C12,H81,no,N,93,,20604,bmse001119,BMET001119
94,covalent,SING,C33,C35,no,N,94,,20604,bmse001119,BMET001119
95,covalent,SING,C33,H120,no,N,95,,20604,bmse001119,BMET001119
96,covalent,SING,C33,H121,no,N,96,,20604,bmse001119,BMET001119
97,covalent,SING,C16,C18,no,N,97,,20604,bmse001119,BMET001119
98,covalent,SING,C16,H88,no,N,98,,20604,bmse001119,BMET001119
99,covalent,SING,C16,H89,no,N,99,,20604,bmse001119,BMET001119
100,covalent,SING,C10,C8,no,N,100,,20604,bmse001119,BMET001119
101,covalent,SING,C10,H76,no,N,101,,20604,bmse001119,BMET001119
102,covalent,SING,C10,H77,no,N,102,,20604,bmse001119,BMET001119
103,covalent,SING,C2,H57,no,N,103,,20604,bmse001119,BMET001119
104,covalent,SING,C2,H56,no,N,104,,20604,bmse001119,BMET001119
105,covalent,SING,C2,H58,no,N,105,,20604,bmse001119,BMET001119
106,covalent,SING,C23,C21,no,N,106,,20604,bmse001119,BMET001119
107,covalent,SING,C23,H100,no,N,107,,20604,bmse001119,BMET001119
108,covalent,SING,C23,H101,no,N,108,,20604,bmse001119,BMET001119
109,covalent,SING,C18,C20,no,N,109,,20604,bmse001119,BMET001119
110,covalent,SING,C18,H92,no,N,110,,20604,bmse001119,BMET001119
111,covalent,SING,C18,H93,no,N,111,,20604,bmse001119,BMET001119
112,covalent,SING,C8,C6,no,N,112,,20604,bmse001119,BMET001119
113,covalent,SING,C8,H72,no,N,113,,20604,bmse001119,BMET001119
114,covalent,SING,C8,H73,no,N,114,,20604,bmse001119,BMET001119
115,covalent,SING,C40,C38,no,N,115,,20604,bmse001119,BMET001119
116,covalent,SING,C40,C39,no,N,116,,20604,bmse001119,BMET001119
117,covalent,SING,C40,H134,no,N,117,,20604,bmse001119,BMET001119
118,covalent,SING,C35,C42,no,N,118,,20604,bmse001119,BMET001119
119,covalent,SING,C35,H124,no,N,119,,20604,bmse001119,BMET001119
120,covalent,SING,C35,H125,no,N,120,,20604,bmse001119,BMET001119
121,covalent,SING,C38,H130,no,N,121,,20604,bmse001119,BMET001119
122,covalent,SING,C38,H131,no,N,122,,20604,bmse001119,BMET001119
123,covalent,SING,C39,H132,no,N,123,,20604,bmse001119,BMET001119
124,covalent,SING,C39,H133,no,N,124,,20604,bmse001119,BMET001119
125,covalent,DOUB,C21,C20,no,Z,125,,20604,bmse001119,BMET001119
126,covalent,SING,C21,H97,no,N,126,,20604,bmse001119,BMET001119
127,covalent,SING,C20,H96,no,N,127,,20604,bmse001119,BMET001119
128,covalent,SING,C6,C1,no,N,128,,20604,bmse001119,BMET001119
129,covalent,SING,C6,H68,no,N,129,,20604,bmse001119,BMET001119
130,covalent,SING,C6,H69,no,N,130,,20604,bmse001119,BMET001119
131,covalent,SING,C1,H54,no,N,131,,20604,bmse001119,BMET001119
132,covalent,SING,C1,H55,no,N,132,,20604,bmse001119,BMET001119
133,covalent,SING,C1,H53,no,N,133,,20604,bmse001119,BMET001119
1,covalent,SING,C1,C3,no,N,1,,20625,bmse001120,BMET001120
2,covalent,SING,C1,H23,no,N,2,,20625,bmse001120,BMET001120
3,covalent,SING,C1,H24,no,N,3,,20625,bmse001120,BMET001120
4,covalent,SING,C1,H22,no,N,4,,20625,bmse001120,BMET001120
5,covalent,SING,C3,C4,no,N,5,,20625,bmse001120,BMET001120
6,covalent,SING,C3,H28,no,N,6,,20625,bmse001120,BMET001120
7,covalent,SING,C3,H29,no,N,7,,20625,bmse001120,BMET001120
8,covalent,SING,C4,C5,no,N,8,,20625,bmse001120,BMET001120
9,covalent,SING,C4,H30,no,N,9,,20625,bmse001120,BMET001120
10,covalent,SING,C4,H31,no,N,10,,20625,bmse001120,BMET001120
11,covalent,SING,C5,C6,no,N,11,,20625,bmse001120,BMET001120
12,covalent,SING,C5,H32,no,N,12,,20625,bmse001120,BMET001120
13,covalent,SING,C5,H33,no,N,13,,20625,bmse001120,BMET001120
14,covalent,SING,C6,C7,no,N,14,,20625,bmse001120,BMET001120
15,covalent,SING,C6,H34,no,N,15,,20625,bmse001120,BMET001120
16,covalent,SING,C6,H35,no,N,16,,20625,bmse001120,BMET001120
17,covalent,DOUB,C7,C8,no,Z,17,,20625,bmse001120,BMET001120
18,covalent,SING,C7,H36,no,N,18,,20625,bmse001120,BMET001120
19,covalent,SING,C8,C9,no,N,19,,20625,bmse001120,BMET001120
20,covalent,SING,C8,H37,no,N,20,,20625,bmse001120,BMET001120
21,covalent,DOUB,C9,C10,no,E,21,,20625,bmse001120,BMET001120
22,covalent,SING,C9,H38,no,N,22,,20625,bmse001120,BMET001120
23,covalent,SING,C10,C11,no,N,23,,20625,bmse001120,BMET001120
24,covalent,SING,C10,H39,no,N,24,,20625,bmse001120,BMET001120
25,covalent,SING,C11,C12,no,N,25,,20625,bmse001120,BMET001120
26,covalent,SING,C11,H40,no,N,26,,20625,bmse001120,BMET001120
27,covalent,SING,C11,H41,no,N,27,,20625,bmse001120,BMET001120
28,covalent,SING,C12,C13,no,N,28,,20625,bmse001120,BMET001120
29,covalent,SING,C12,H42,no,N,29,,20625,bmse001120,BMET001120
30,covalent,SING,C12,H43,no,N,30,,20625,bmse001120,BMET001120
31,covalent,SING,C13,C14,no,N,31,,20625,bmse001120,BMET001120
32,covalent,SING,C13,H44,no,N,32,,20625,bmse001120,BMET001120
33,covalent,SING,C13,H45,no,N,33,,20625,bmse001120,BMET001120
34,covalent,SING,C14,C15,no,N,34,,20625,bmse001120,BMET001120
35,covalent,SING,C14,H46,no,N,35,,20625,bmse001120,BMET001120
36,covalent,SING,C14,H47,no,N,36,,20625,bmse001120,BMET001120
37,covalent,SING,C15,C16,no,N,37,,20625,bmse001120,BMET001120
38,covalent,SING,C15,H48,no,N,38,,20625,bmse001120,BMET001120
39,covalent,SING,C15,H49,no,N,39,,20625,bmse001120,BMET001120
40,covalent,SING,C16,C17,no,N,40,,20625,bmse001120,BMET001120
41,covalent,SING,C16,H50,no,N,41,,20625,bmse001120,BMET001120
42,covalent,SING,C16,H51,no,N,42,,20625,bmse001120,BMET001120
43,covalent,SING,C17,C18,no,N,43,,20625,bmse001120,BMET001120
44,covalent,SING,C17,H52,no,N,44,,20625,bmse001120,BMET001120
45,covalent,SING,C17,H53,no,N,45,,20625,bmse001120,BMET001120
46,covalent,SING,C18,C19,no,N,46,,20625,bmse001120,BMET001120
47,covalent,SING,C18,H54,no,N,47,,20625,bmse001120,BMET001120
48,covalent,SING,C18,H55,no,N,48,,20625,bmse001120,BMET001120
49,carbonyl,DOUB,C19,O20,no,N,49,,20625,bmse001120,BMET001120
50,ester,SING,C19,O21,no,N,50,,20625,bmse001120,BMET001120
51,covalent,SING,O21,C2,no,N,51,,20625,bmse001120,BMET001120
52,covalent,SING,C2,H27,no,N,52,,20625,bmse001120,BMET001120
53,covalent,SING,C2,H25,no,N,53,,20625,bmse001120,BMET001120
54,covalent,SING,C2,H26,no,N,54,,20625,bmse001120,BMET001120
1,covalent,SING,O20,C13,no,N,1,,20646,bmse001121,BMET001121
2,covalent,SING,O20,C14,no,N,2,,20646,bmse001121,BMET001121
3,carbonyl,DOUB,O19,C12,no,N,3,,20646,bmse001121,BMET001121
4,covalent,SING,O18,C11,no,N,4,,20646,bmse001121,BMET001121
5,covalent,SING,O18,H25,no,N,5,,20646,bmse001121,BMET001121
6,covalent,SING,O17,C10,no,N,6,,20646,bmse001121,BMET001121
7,covalent,SING,O17,H23,no,N,7,,20646,bmse001121,BMET001121
8,covalent,SING,O16,C9,no,N,8,,20646,bmse001121,BMET001121
9,covalent,SING,O16,H24,no,N,9,,20646,bmse001121,BMET001121
10,covalent,SING,C13,C7,no,N,10,,20646,bmse001121,BMET001121
11,covalent,SING,C13,C8,no,N,11,,20646,bmse001121,BMET001121
12,covalent,SING,C13,H32,no,N,12,,20646,bmse001121,BMET001121
13,covalent,SING,C7,C12,no,N,13,,20646,bmse001121,BMET001121
14,covalent,SING,C7,H31,no,N,14,,20646,bmse001121,BMET001121
15,covalent,SING,C7,H30,no,N,15,,20646,bmse001121,BMET001121
16,covalent,AROM,C8,C1,yes,N,16,,20646,bmse001121,BMET001121
17,covalent,AROM,C8,C2,yes,N,17,,20646,bmse001121,BMET001121
18,covalent,SING,C15,C12,no,N,18,,20646,bmse001121,BMET001121
19,covalent,AROM,C15,C14,yes,N,19,,20646,bmse001121,BMET001121
20,covalent,AROM,C15,C11,yes,N,20,,20646,bmse001121,BMET001121
21,covalent,AROM,C14,C6,yes,N,21,,20646,bmse001121,BMET001121
22,covalent,AROM,C11,C5,yes,N,22,,20646,bmse001121,BMET001121
23,covalent,AROM,C6,C10,yes,N,23,,20646,bmse001121,BMET001121
24,covalent,SING,C6,H29,no,N,24,,20646,bmse001121,BMET001121
25,covalent,AROM,C1,C3,yes,N,25,,20646,bmse001121,BMET001121
26,covalent,SING,C1,H27,no,N,26,,20646,bmse001121,BMET001121
27,covalent,AROM,C2,C4,yes,N,27,,20646,bmse001121,BMET001121
28,covalent,SING,C2,H28,no,N,28,,20646,bmse001121,BMET001121
29,covalent,AROM,C5,C10,yes,N,29,,20646,bmse001121,BMET001121
30,covalent,SING,C5,H26,no,N,30,,20646,bmse001121,BMET001121
31,covalent,AROM,C3,C9,yes,N,31,,20646,bmse001121,BMET001121
32,covalent,SING,C3,H21,no,N,32,,20646,bmse001121,BMET001121
33,covalent,AROM,C4,C9,yes,N,33,,20646,bmse001121,BMET001121
34,covalent,SING,C4,H22,no,N,34,,20646,bmse001121,BMET001121
1,carbonyl,DOUB,O18,C12,no,N,1,,20667,bmse001122,BMET001122
2,covalent,SING,O19,C13,no,N,2,,20667,bmse001122,BMET001122
3,covalent,SING,O19,H29,no,N,3,,20667,bmse001122,BMET001122
4,covalent,SING,O20,C14,no,N,4,,20667,bmse001122,BMET001122
5,covalent,SING,O20,H30,no,N,5,,20667,bmse001122,BMET001122
6,covalent,SING,O17,C11,no,N,6,,20667,bmse001122,BMET001122
7,covalent,SING,O17,H25,no,N,7,,20667,bmse001122,BMET001122
8,covalent,SING,O16,C10,no,N,8,,20667,bmse001122,BMET001122
9,covalent,SING,O16,H26,no,N,9,,20667,bmse001122,BMET001122
10,covalent,SING,C3,C6,no,N,10,,20667,bmse001122,BMET001122
11,covalent,SING,C3,C9,no,N,11,,20667,bmse001122,BMET001122
12,covalent,SING,C3,H33,no,N,12,,20667,bmse001122,BMET001122
13,covalent,SING,C3,H34,no,N,13,,20667,bmse001122,BMET001122
14,covalent,SING,C6,C12,no,N,14,,20667,bmse001122,BMET001122
15,covalent,SING,C6,H32,no,N,15,,20667,bmse001122,BMET001122
16,covalent,SING,C6,H31,no,N,16,,20667,bmse001122,BMET001122
17,covalent,AROM,C9,C1,yes,N,17,,20667,bmse001122,BMET001122
18,covalent,AROM,C9,C2,yes,N,18,,20667,bmse001122,BMET001122
19,covalent,SING,C12,C15,no,N,19,,20667,bmse001122,BMET001122
20,covalent,AROM,C15,C13,yes,N,20,,20667,bmse001122,BMET001122
21,covalent,AROM,C15,C14,yes,N,21,,20667,bmse001122,BMET001122
22,covalent,AROM,C1,C4,yes,N,22,,20667,bmse001122,BMET001122
23,covalent,SING,C1,H23,no,N,23,,20667,bmse001122,BMET001122
24,covalent,AROM,C2,C5,yes,N,24,,20667,bmse001122,BMET001122
25,covalent,SING,C2,H24,no,N,25,,20667,bmse001122,BMET001122
26,covalent,AROM,C13,C7,yes,N,26,,20667,bmse001122,BMET001122
27,covalent,AROM,C14,C8,yes,N,27,,20667,bmse001122,BMET001122
28,covalent,AROM,C7,C11,yes,N,28,,20667,bmse001122,BMET001122
29,covalent,SING,C7,H27,no,N,29,,20667,bmse001122,BMET001122
30,covalent,AROM,C8,C11,yes,N,30,,20667,bmse001122,BMET001122
31,covalent,SING,C8,H28,no,N,31,,20667,bmse001122,BMET001122
32,covalent,AROM,C4,C10,yes,N,32,,20667,bmse001122,BMET001122
33,covalent,SING,C4,H21,no,N,33,,20667,bmse001122,BMET001122
34,covalent,AROM,C5,C10,yes,N,34,,20667,bmse001122,BMET001122
35,covalent,SING,C5,H22,no,N,35,,20667,bmse001122,BMET001122
1,covalent,SING,O1,C21,no,N,1,,20688,bmse001123,BMET001123
2,covalent,SING,O1,H61,no,N,2,,20688,bmse001123,BMET001123
3,covalent,SING,C2,C3,no,N,3,,20688,bmse001123,BMET001123
4,covalent,SING,C2,C7,no,N,4,,20688,bmse001123,BMET001123
5,covalent,SING,C2,C11,no,N,5,,20688,bmse001123,BMET001123
6,covalent,SING,C2,H22,no,N,6,,20688,bmse001123,BMET001123
7,covalent,SING,C3,C5,no,N,7,,20688,bmse001123,BMET001123
8,covalent,SING,C3,H23,no,N,8,,20688,bmse001123,BMET001123
9,covalent,SING,C3,H24,no,N,9,,20688,bmse001123,BMET001123
10,covalent,SING,C4,C6,no,N,10,,20688,bmse001123,BMET001123
11,covalent,SING,C4,C8,no,N,11,,20688,bmse001123,BMET001123
12,covalent,SING,C4,C13,no,N,12,,20688,bmse001123,BMET001123
13,covalent,SING,C4,H25,no,N,13,,20688,bmse001123,BMET001123
14,covalent,SING,C5,C6,no,N,14,,20688,bmse001123,BMET001123
15,covalent,SING,C5,H26,no,N,15,,20688,bmse001123,BMET001123
16,covalent,SING,C5,H27,no,N,16,,20688,bmse001123,BMET001123
17,covalent,SING,C6,H28,no,N,17,,20688,bmse001123,BMET001123
18,covalent,SING,C6,H29,no,N,18,,20688,bmse001123,BMET001123
19,covalent,SING,C7,C9,no,N,19,,20688,bmse001123,BMET001123
20,covalent,SING,C7,H30,no,N,20,,20688,bmse001123,BMET001123
21,covalent,SING,C7,H31,no,N,21,,20688,bmse001123,BMET001123
22,covalent,SING,C8,C12,no,N,22,,20688,bmse001123,BMET001123
23,covalent,SING,C8,H32,no,N,23,,20688,bmse001123,BMET001123
24,covalent,SING,C8,H33,no,N,24,,20688,bmse001123,BMET001123
25,covalent,SING,C9,C10,no,N,25,,20688,bmse001123,BMET001123
26,covalent,SING,C9,H34,no,N,26,,20688,bmse001123,BMET001123
27,covalent,SING,C9,H35,no,N,27,,20688,bmse001123,BMET001123
28,covalent,SING,C10,C14,no,N,28,,20688,bmse001123,BMET001123
29,covalent,SING,C10,H36,no,N,29,,20688,bmse001123,BMET001123
30,covalent,SING,C10,H37,no,N,30,,20688,bmse001123,BMET001123
31,covalent,SING,C11,H38,no,N,31,,20688,bmse001123,BMET001123
32,covalent,SING,C11,H39,no,N,32,,20688,bmse001123,BMET001123
33,covalent,SING,C11,H40,no,N,33,,20688,bmse001123,BMET001123
34,covalent,SING,C12,C15,no,N,34,,20688,bmse001123,BMET001123
35,covalent,SING,C12,H41,no,N,35,,20688,bmse001123,BMET001123
36,covalent,SING,C12,H42,no,N,36,,20688,bmse001123,BMET001123
37,covalent,SING,C13,H43,no,N,37,,20688,bmse001123,BMET001123
38,covalent,SING,C13,H44,no,N,38,,20688,bmse001123,BMET001123
39,covalent,SING,C13,H45,no,N,39,,20688,bmse001123,BMET001123
40,covalent,SING,C14,C16,no,N,40,,20688,bmse001123,BMET001123
41,covalent,SING,C14,C17,no,N,41,,20688,bmse001123,BMET001123
42,covalent,SING,C14,H46,no,N,42,,20688,bmse001123,BMET001123
43,covalent,SING,C15,C18,no,N,43,,20688,bmse001123,BMET001123
44,covalent,SING,C15,H47,no,N,44,,20688,bmse001123,BMET001123
45,covalent,SING,C15,H48,no,N,45,,20688,bmse001123,BMET001123
46,covalent,SING,C16,H49,no,N,46,,20688,bmse001123,BMET001123
47,covalent,SING,C16,H50,no,N,47,,20688,bmse001123,BMET001123
48,covalent,SING,C16,H51,no,N,48,,20688,bmse001123,BMET001123
49,covalent,SING,C17,H52,no,N,49,,20688,bmse001123,BMET001123
50,covalent,SING,C17,H53,no,N,50,,20688,bmse001123,BMET001123
51,covalent,SING,C17,H54,no,N,51,,20688,bmse001123,BMET001123
52,covalent,SING,C18,C19,no,N,52,,20688,bmse001123,BMET001123
53,covalent,DOUB,C18,C20,no,UNK,53,,20688,bmse001123,BMET001123
54,covalent,SING,C19,H55,no,N,54,,20688,bmse001123,BMET001123
55,covalent,SING,C19,H56,no,N,55,,20688,bmse001123,BMET001123
56,covalent,SING,C19,H57,no,N,56,,20688,bmse001123,BMET001123
57,covalent,SING,C20,C21,no,N,57,,20688,bmse001123,BMET001123
58,covalent,SING,C20,H58,no,N,58,,20688,bmse001123,BMET001123
59,covalent,SING,C21,H59,no,N,59,,20688,bmse001123,BMET001123
60,covalent,SING,C21,H60,no,N,60,,20688,bmse001123,BMET001123
1,covalent,AROM,O20,C14,yes,N,1,,20708,bmse001124,BMET001124
2,covalent,AROM,O20,C13,yes,N,2,,20708,bmse001124,BMET001124
3,carbonyl,DOUB,O19,C12,no,N,3,,20708,bmse001124,BMET001124
4,covalent,SING,O18,C11,no,N,4,,20708,bmse001124,BMET001124
5,covalent,SING,O17,C10,no,N,5,,20708,bmse001124,BMET001124
6,covalent,SING,O16,C9,no,N,6,,20708,bmse001124,BMET001124
7,covalent,AROM,C15,C14,yes,N,7,,20708,bmse001124,BMET001124
8,covalent,AROM,C15,C12,yes,N,8,,20708,bmse001124,BMET001124
9,covalent,AROM,C15,C11,yes,N,9,,20708,bmse001124,BMET001124
10,covalent,AROM,C14,C6,yes,N,10,,20708,bmse001124,BMET001124
11,covalent,AROM,C12,C7,yes,N,11,,20708,bmse001124,BMET001124
12,covalent,AROM,C13,C7,yes,N,12,,20708,bmse001124,BMET001124
13,covalent,SING,C13,C8,no,N,13,,20708,bmse001124,BMET001124
14,covalent,AROM,C11,C5,yes,N,14,,20708,bmse001124,BMET001124
15,covalent,AROM,C6,C10,yes,N,15,,20708,bmse001124,BMET001124
16,covalent,AROM,C8,C1,yes,N,16,,20708,bmse001124,BMET001124
17,covalent,AROM,C8,C2,yes,N,17,,20708,bmse001124,BMET001124
18,covalent,AROM,C10,C5,yes,N,18,,20708,bmse001124,BMET001124
19,covalent,AROM,C1,C3,yes,N,19,,20708,bmse001124,BMET001124
20,covalent,AROM,C2,C4,yes,N,20,,20708,bmse001124,BMET001124
21,covalent,AROM,C3,C9,yes,N,21,,20708,bmse001124,BMET001124
22,covalent,AROM,C4,C9,yes,N,22,,20708,bmse001124,BMET001124
23,covalent,SING,O18,H30,no,N,23,,20708,bmse001124,BMET001124
24,covalent,SING,O17,H29,no,N,24,,20708,bmse001124,BMET001124
25,covalent,SING,O16,H28,no,N,25,,20708,bmse001124,BMET001124
26,covalent,SING,C7,H27,no,N,26,,20708,bmse001124,BMET001124
27,covalent,SING,C6,H26,no,N,27,,20708,bmse001124,BMET001124
28,covalent,SING,C5,H25,no,N,28,,20708,bmse001124,BMET001124
29,covalent,SING,C1,H21,no,N,29,,20708,bmse001124,BMET001124
30,covalent,SING,C2,H22,no,N,30,,20708,bmse001124,BMET001124
31,covalent,SING,C3,H23,no,N,31,,20708,bmse001124,BMET001124
32,covalent,SING,C4,H24,no,N,32,,20708,bmse001124,BMET001124
1,covalent,SING,O11,C8,no,N,1,,20729,bmse001125,BMET001125
2,covalent,SING,O11,H28,no,N,2,,20729,bmse001125,BMET001125
3,covalent,SING,C6,C4,no,N,3,,20729,bmse001125,BMET001125
4,covalent,SING,C6,C10,no,N,4,,20729,bmse001125,BMET001125
5,covalent,SING,C6,H29,no,N,5,,20729,bmse001125,BMET001125
6,covalent,SING,C6,H24,no,N,6,,20729,bmse001125,BMET001125
7,covalent,SING,C4,C5,no,N,7,,20729,bmse001125,BMET001125
8,covalent,SING,C4,H25,no,N,8,,20729,bmse001125,BMET001125
9,covalent,SING,C4,H21,no,N,9,,20729,bmse001125,BMET001125
10,covalent,SING,C10,C3,no,N,10,,20729,bmse001125,BMET001125
11,covalent,DOUB,C10,C7,no,E,11,,20729,bmse001125,BMET001125
12,covalent,DOUB,C5,C9,no,N,12,,20729,bmse001125,BMET001125
13,covalent,SING,C5,H22,no,N,13,,20729,bmse001125,BMET001125
14,covalent,SING,C9,C1,no,N,14,,20729,bmse001125,BMET001125
15,covalent,SING,C9,C2,no,N,15,,20729,bmse001125,BMET001125
16,covalent,SING,C3,H23,no,N,16,,20729,bmse001125,BMET001125
17,covalent,SING,C3,H19,no,N,17,,20729,bmse001125,BMET001125
18,covalent,SING,C3,H18,no,N,18,,20729,bmse001125,BMET001125
19,covalent,SING,C7,C8,no,N,19,,20729,bmse001125,BMET001125
20,covalent,SING,C7,H20,no,N,20,,20729,bmse001125,BMET001125
21,covalent,SING,C1,H26,no,N,21,,20729,bmse001125,BMET001125
22,covalent,SING,C1,H13,no,N,22,,20729,bmse001125,BMET001125
23,covalent,SING,C1,H12,no,N,23,,20729,bmse001125,BMET001125
24,covalent,SING,C2,H14,no,N,24,,20729,bmse001125,BMET001125
25,covalent,SING,C2,H17,no,N,25,,20729,bmse001125,BMET001125
26,covalent,SING,C2,H15,no,N,26,,20729,bmse001125,BMET001125
27,covalent,SING,C8,H16,no,N,27,,20729,bmse001125,BMET001125
28,covalent,SING,C8,H27,no,N,28,,20729,bmse001125,BMET001125
1,covalent,SING,Cl64,H42,no,N,1,,20750,bmse001126,BMET001126
2,covalent,SING,Cl66,H43,no,N,2,,20750,bmse001126,BMET001126
3,covalent,SING,O34,C15,no,N,3,,20750,bmse001126,BMET001126
4,covalent,SING,O34,C22,no,N,4,,20750,bmse001126,BMET001126
5,covalent,SING,C18,O31,no,N,5,,20750,bmse001126,BMET001126
6,covalent,SING,O31,H56,no,N,6,,20750,bmse001126,BMET001126
7,covalent,SING,O30,C9,no,N,7,,20750,bmse001126,BMET001126
8,covalent,SING,O30,H58,no,N,8,,20750,bmse001126,BMET001126
9,carbonyl,DOUB,O32,C21,no,N,9,,20750,bmse001126,BMET001126
10,covalent,SING,O33,C13,no,N,10,,20750,bmse001126,BMET001126
11,covalent,SING,O33,C3,no,N,11,,20750,bmse001126,BMET001126
12,covalent,SING,C22,N29,no,N,12,,20750,bmse001126,BMET001126
13,covalent,AROM,N29,C20,yes,N,13,,20750,bmse001126,BMET001126
14,covalent,AROM,N29,C11,yes,N,14,,20750,bmse001126,BMET001126
15,covalent,SING,C16,N27,no,N,15,,20750,bmse001126,BMET001126
16,amide,SING,N27,C21,no,N,16,,20750,bmse001126,BMET001126
17,covalent,SING,N27,H61,no,N,17,,20750,bmse001126,BMET001126
18,covalent,AROM,N26,C11,yes,N,18,,20750,bmse001126,BMET001126
19,covalent,AROM,N26,C17,yes,N,19,,20750,bmse001126,BMET001126
20,covalent,AROM,N25,C20,yes,N,20,,20750,bmse001126,BMET001126
21,covalent,AROM,N25,C10,yes,N,21,,20750,bmse001126,BMET001126
22,covalent,SING,C14,N23,no,N,22,,20750,bmse001126,BMET001126
23,covalent,SING,N23,H53,no,N,23,,20750,bmse001126,BMET001126
24,covalent,SING,N23,H54,no,N,24,,20750,bmse001126,BMET001126
25,covalent,SING,N28,C19,no,N,25,,20750,bmse001126,BMET001126
26,covalent,SING,N28,C1,no,N,26,,20750,bmse001126,BMET001126
27,covalent,SING,N28,C2,no,N,27,,20750,bmse001126,BMET001126
28,covalent,AROM,N24,C19,yes,N,28,,20750,bmse001126,BMET001126
29,covalent,AROM,N24,C10,yes,N,29,,20750,bmse001126,BMET001126
30,covalent,SING,C16,C18,no,N,30,,20750,bmse001126,BMET001126
31,covalent,SING,C16,C15,no,N,31,,20750,bmse001126,BMET001126
32,covalent,SING,C16,H65,no,N,32,,20750,bmse001126,BMET001126
33,covalent,SING,C18,C22,no,N,33,,20750,bmse001126,BMET001126
34,covalent,SING,C18,H67,no,N,34,,20750,bmse001126,BMET001126
35,covalent,SING,C15,C9,no,N,35,,20750,bmse001126,BMET001126
36,covalent,SING,C15,H63,no,N,36,,20750,bmse001126,BMET001126
37,covalent,SING,C22,H62,no,N,37,,20750,bmse001126,BMET001126
38,covalent,SING,C9,H59,no,N,38,,20750,bmse001126,BMET001126
39,covalent,SING,C9,H60,no,N,39,,20750,bmse001126,BMET001126
40,covalent,AROM,C20,C17,yes,N,40,,20750,bmse001126,BMET001126
41,covalent,SING,C21,C14,no,N,41,,20750,bmse001126,BMET001126
42,covalent,SING,C11,H57,no,N,42,,20750,bmse001126,BMET001126
43,covalent,SING,C14,C8,no,N,43,,20750,bmse001126,BMET001126
44,covalent,SING,C14,H55,no,N,44,,20750,bmse001126,BMET001126
45,covalent,AROM,C17,C19,yes,N,45,,20750,bmse001126,BMET001126
46,covalent,SING,C8,C12,no,N,46,,20750,bmse001126,BMET001126
47,covalent,SING,C8,H50,no,N,47,,20750,bmse001126,BMET001126
48,covalent,SING,C8,H51,no,N,48,,20750,bmse001126,BMET001126
49,covalent,AROM,C12,C4,yes,N,49,,20750,bmse001126,BMET001126
50,covalent,AROM,C12,C5,yes,N,50,,20750,bmse001126,BMET001126
51,covalent,SING,C10,H48,no,N,51,,20750,bmse001126,BMET001126
52,covalent,AROM,C4,C6,yes,N,52,,20750,bmse001126,BMET001126
53,covalent,SING,C4,H49,no,N,53,,20750,bmse001126,BMET001126
54,covalent,AROM,C5,C7,yes,N,54,,20750,bmse001126,BMET001126
55,covalent,SING,C5,H52,no,N,55,,20750,bmse001126,BMET001126
56,covalent,SING,C1,H44,no,N,56,,20750,bmse001126,BMET001126
57,covalent,SING,C1,H45,no,N,57,,20750,bmse001126,BMET001126
58,covalent,SING,C1,H39,no,N,58,,20750,bmse001126,BMET001126
59,covalent,SING,C2,H35,no,N,59,,20750,bmse001126,BMET001126
60,covalent,SING,C2,H37,no,N,60,,20750,bmse001126,BMET001126
61,covalent,SING,C2,H36,no,N,61,,20750,bmse001126,BMET001126
62,covalent,AROM,C6,C13,yes,N,62,,20750,bmse001126,BMET001126
63,covalent,SING,C6,H38,no,N,63,,20750,bmse001126,BMET001126
64,covalent,AROM,C7,C13,yes,N,64,,20750,bmse001126,BMET001126
65,covalent,SING,C7,H40,no,N,65,,20750,bmse001126,BMET001126
66,covalent,SING,C3,H46,no,N,66,,20750,bmse001126,BMET001126
67,covalent,SING,C3,H47,no,N,67,,20750,bmse001126,BMET001126
68,covalent,SING,C3,H41,no,N,68,,20750,bmse001126,BMET001126
1,covalent,SING,O22,C14,no,N,1,,20771,bmse001127,BMET001127
2,covalent,SING,O22,C15,no,N,2,,20771,bmse001127,BMET001127
3,carbonyl,DOUB,O20,C12,no,N,3,,20771,bmse001127,BMET001127
4,covalent,SING,O19,C11,no,N,4,,20771,bmse001127,BMET001127
5,covalent,SING,O19,H30,no,N,5,,20771,bmse001127,BMET001127
6,covalent,SING,O21,C13,no,N,6,,20771,bmse001127,BMET001127
7,covalent,SING,O21,C1,no,N,7,,20771,bmse001127,BMET001127
8,covalent,SING,O18,C10,no,N,8,,20771,bmse001127,BMET001127
9,covalent,SING,O18,H29,no,N,9,,20771,bmse001127,BMET001127
10,covalent,SING,O17,C9,no,N,10,,20771,bmse001127,BMET001127
11,covalent,SING,O17,H27,no,N,11,,20771,bmse001127,BMET001127
12,covalent,SING,C14,C7,no,N,12,,20771,bmse001127,BMET001127
13,covalent,SING,C14,C8,no,N,13,,20771,bmse001127,BMET001127
14,covalent,SING,C14,H36,no,N,14,,20771,bmse001127,BMET001127
15,covalent,SING,C7,C12,no,N,15,,20771,bmse001127,BMET001127
16,covalent,SING,C7,H35,no,N,16,,20771,bmse001127,BMET001127
17,covalent,SING,C7,H34,no,N,17,,20771,bmse001127,BMET001127
18,covalent,AROM,C8,C4,yes,N,18,,20771,bmse001127,BMET001127
19,covalent,AROM,C8,C2,yes,N,19,,20771,bmse001127,BMET001127
20,covalent,SING,C16,C12,no,N,20,,20771,bmse001127,BMET001127
21,covalent,AROM,C16,C15,yes,N,21,,20771,bmse001127,BMET001127
22,covalent,AROM,C16,C11,yes,N,22,,20771,bmse001127,BMET001127
23,covalent,AROM,C15,C6,yes,N,23,,20771,bmse001127,BMET001127
24,covalent,AROM,C4,C10,yes,N,24,,20771,bmse001127,BMET001127
25,covalent,SING,C4,H33,no,N,25,,20771,bmse001127,BMET001127
26,covalent,AROM,C2,C3,yes,N,26,,20771,bmse001127,BMET001127
27,covalent,SING,C2,H31,no,N,27,,20771,bmse001127,BMET001127
28,covalent,AROM,C11,C5,yes,N,28,,20771,bmse001127,BMET001127
29,covalent,AROM,C6,C9,yes,N,29,,20771,bmse001127,BMET001127
30,covalent,SING,C6,H32,no,N,30,,20771,bmse001127,BMET001127
31,covalent,AROM,C10,C13,yes,N,31,,20771,bmse001127,BMET001127
32,covalent,AROM,C5,C9,yes,N,32,,20771,bmse001127,BMET001127
33,covalent,SING,C5,H28,no,N,33,,20771,bmse001127,BMET001127
34,covalent,AROM,C3,C13,yes,N,34,,20771,bmse001127,BMET001127
35,covalent,SING,C3,H26,no,N,35,,20771,bmse001127,BMET001127
36,covalent,SING,C1,H24,no,N,36,,20771,bmse001127,BMET001127
37,covalent,SING,C1,H25,no,N,37,,20771,bmse001127,BMET001127
38,covalent,SING,C1,H23,no,N,38,,20771,bmse001127,BMET001127
1,covalent,SING,C26,O31,no,N,1,,20792,bmse001128,BMET001128
2,covalent,SING,O31,H39,no,N,2,,20792,bmse001128,BMET001128
3,covalent,SING,C29,C30,no,N,3,,20792,bmse001128,BMET001128
4,covalent,SING,C29,C22,no,N,4,,20792,bmse001128,BMET001128
5,covalent,SING,C29,C19,no,N,5,,20792,bmse001128,BMET001128
6,covalent,SING,C29,C7,no,N,6,,20792,bmse001128,BMET001128
7,covalent,SING,C30,C24,no,N,7,,20792,bmse001128,BMET001128
8,covalent,SING,C30,C18,no,N,8,,20792,bmse001128,BMET001128
9,covalent,SING,C30,C8,no,N,9,,20792,bmse001128,BMET001128
10,covalent,SING,C22,C14,no,N,10,,20792,bmse001128,BMET001128
11,covalent,SING,C22,C21,no,N,11,,20792,bmse001128,BMET001128
12,covalent,SING,C22,H81,no,N,12,,20792,bmse001128,BMET001128
13,covalent,SING,C28,C25,no,N,13,,20792,bmse001128,BMET001128
14,covalent,SING,C28,C23,no,N,14,,20792,bmse001128,BMET001128
15,covalent,SING,C28,C17,no,N,15,,20792,bmse001128,BMET001128
16,covalent,SING,C28,C6,no,N,16,,20792,bmse001128,BMET001128
17,covalent,DOUB,C24,C23,no,N,17,,20792,bmse001128,BMET001128
18,covalent,SING,C24,C12,no,N,18,,20792,bmse001128,BMET001128
19,covalent,SING,C25,C27,no,N,19,,20792,bmse001128,BMET001128
20,covalent,SING,C25,C13,no,N,20,,20792,bmse001128,BMET001128
21,covalent,SING,C25,H78,no,N,21,,20792,bmse001128,BMET001128
22,covalent,SING,C23,C15,no,N,22,,20792,bmse001128,BMET001128
23,covalent,SING,C18,C14,no,N,23,,20792,bmse001128,BMET001128
24,covalent,SING,C18,H79,no,N,24,,20792,bmse001128,BMET001128
25,covalent,SING,C18,H73,no,N,25,,20792,bmse001128,BMET001128
26,covalent,SING,C19,C15,no,N,26,,20792,bmse001128,BMET001128
27,covalent,SING,C19,H74,no,N,27,,20792,bmse001128,BMET001128
28,covalent,SING,C19,H75,no,N,28,,20792,bmse001128,BMET001128
29,covalent,SING,C14,H76,no,N,29,,20792,bmse001128,BMET001128
30,covalent,SING,C14,H65,no,N,30,,20792,bmse001128,BMET001128
31,covalent,SING,C15,H66,no,N,31,,20792,bmse001128,BMET001128
32,covalent,SING,C15,H67,no,N,32,,20792,bmse001128,BMET001128
33,covalent,SING,C27,C26,no,N,33,,20792,bmse001128,BMET001128
34,covalent,SING,C27,C4,no,N,34,,20792,bmse001128,BMET001128
35,covalent,SING,C27,C5,no,N,35,,20792,bmse001128,BMET001128
36,covalent,SING,C12,C13,no,N,36,,20792,bmse001128,BMET001128
37,covalent,SING,C12,H68,no,N,37,,20792,bmse001128,BMET001128
38,covalent,SING,C12,H61,no,N,38,,20792,bmse001128,BMET001128
39,covalent,SING,C13,H62,no,N,39,,20792,bmse001128,BMET001128
40,covalent,SING,C13,H63,no,N,40,,20792,bmse001128,BMET001128
41,covalent,SING,C17,C16,no,N,41,,20792,bmse001128,BMET001128
42,covalent,SING,C17,H64,no,N,42,,20792,bmse001128,BMET001128
43,covalent,SING,C17,H71,no,N,43,,20792,bmse001128,BMET001128
44,covalent,SING,C21,C11,no,N,44,,20792,bmse001128,BMET001128
45,covalent,SING,C21,C3,no,N,45,,20792,bmse001128,BMET001128
46,covalent,SING,C21,H72,no,N,46,,20792,bmse001128,BMET001128
47,covalent,SING,C7,H77,no,N,47,,20792,bmse001128,BMET001128
48,covalent,SING,C7,H51,no,N,48,,20792,bmse001128,BMET001128
49,covalent,SING,C7,H52,no,N,49,,20792,bmse001128,BMET001128
50,covalent,SING,C8,H50,no,N,50,,20792,bmse001128,BMET001128
51,covalent,SING,C8,H53,no,N,51,,20792,bmse001128,BMET001128
52,covalent,SING,C8,H54,no,N,52,,20792,bmse001128,BMET001128
53,covalent,SING,C26,C16,no,N,53,,20792,bmse001128,BMET001128
54,covalent,SING,C26,H55,no,N,54,,20792,bmse001128,BMET001128
55,covalent,SING,C16,H80,no,N,55,,20792,bmse001128,BMET001128
56,covalent,SING,C16,H69,no,N,56,,20792,bmse001128,BMET001128
57,covalent,SING,C6,H70,no,N,57,,20792,bmse001128,BMET001128
58,covalent,SING,C6,H48,no,N,58,,20792,bmse001128,BMET001128
59,covalent,SING,C6,H47,no,N,59,,20792,bmse001128,BMET001128
60,covalent,SING,C4,H41,no,N,60,,20792,bmse001128,BMET001128
61,covalent,SING,C4,H43,no,N,61,,20792,bmse001128,BMET001128
62,covalent,SING,C4,H44,no,N,62,,20792,bmse001128,BMET001128
63,covalent,SING,C5,H49,no,N,63,,20792,bmse001128,BMET001128
64,covalent,SING,C5,H42,no,N,64,,20792,bmse001128,BMET001128
65,covalent,SING,C5,H46,no,N,65,,20792,bmse001128,BMET001128
66,covalent,SING,C11,C9,no,N,66,,20792,bmse001128,BMET001128
67,covalent,SING,C11,H45,no,N,67,,20792,bmse001128,BMET001128
68,covalent,SING,C11,H59,no,N,68,,20792,bmse001128,BMET001128
69,covalent,SING,C3,H60,no,N,69,,20792,bmse001128,BMET001128
70,covalent,SING,C3,H38,no,N,70,,20792,bmse001128,BMET001128
71,covalent,SING,C3,H40,no,N,71,,20792,bmse001128,BMET001128
72,covalent,SING,C9,C10,no,N,72,,20792,bmse001128,BMET001128
73,covalent,SING,C9,H56,no,N,73,,20792,bmse001128,BMET001128
74,covalent,SING,C9,H57,no,N,74,,20792,bmse001128,BMET001128
75,covalent,DOUB,C10,C20,no,N,75,,20792,bmse001128,BMET001128
76,covalent,SING,C10,H58,no,N,76,,20792,bmse001128,BMET001128
77,covalent,SING,C20,C1,no,N,77,,20792,bmse001128,BMET001128
78,covalent,SING,C20,C2,no,N,78,,20792,bmse001128,BMET001128
79,covalent,SING,C1,H35,no,N,79,,20792,bmse001128,BMET001128
80,covalent,SING,C1,H36,no,N,80,,20792,bmse001128,BMET001128
81,covalent,SING,C1,H37,no,N,81,,20792,bmse001128,BMET001128
82,covalent,SING,C2,H32,no,N,82,,20792,bmse001128,BMET001128
83,covalent,SING,C2,H34,no,N,83,,20792,bmse001128,BMET001128
84,covalent,SING,C2,H33,no,N,84,,20792,bmse001128,BMET001128
1,covalent,AROM,O14,C8,yes,N,1,,20810,bmse001129,BMET001129
2,covalent,AROM,O14,C10,yes,N,2,,20810,bmse001129,BMET001129
3,covalent,SING,O13,C9,no,N,3,,20810,bmse001129,BMET001129
4,covalent,SING,O13,C1,no,N,4,,20810,bmse001129,BMET001129
5,carbonyl,DOUB,O11,C7,no,N,5,,20810,bmse001129,BMET001129
6,covalent,SING,O12,C10,no,N,6,,20810,bmse001129,BMET001129
7,covalent,SING,O12,H16,no,N,7,,20810,bmse001129,BMET001129
8,covalent,SING,C6,C8,no,N,8,,20810,bmse001129,BMET001129
9,covalent,AROM,C6,C4,yes,N,9,,20810,bmse001129,BMET001129
10,covalent,AROM,C6,C2,yes,N,10,,20810,bmse001129,BMET001129
11,covalent,AROM,C8,C5,yes,N,11,,20810,bmse001129,BMET001129
12,covalent,AROM,C4,C9,yes,N,12,,20810,bmse001129,BMET001129
13,covalent,SING,C4,H22,no,N,13,,20810,bmse001129,BMET001129
14,covalent,AROM,C9,C7,yes,N,14,,20810,bmse001129,BMET001129
15,covalent,AROM,C5,C7,yes,N,15,,20810,bmse001129,BMET001129
16,covalent,SING,C5,H20,no,N,16,,20810,bmse001129,BMET001129
17,covalent,AROM,C2,C3,yes,N,17,,20810,bmse001129,BMET001129
18,covalent,SING,C2,H21,no,N,18,,20810,bmse001129,BMET001129
19,covalent,AROM,C3,C10,yes,N,19,,20810,bmse001129,BMET001129
20,covalent,SING,C3,H18,no,N,20,,20810,bmse001129,BMET001129
21,covalent,SING,C1,H19,no,N,21,,20810,bmse001129,BMET001129
22,covalent,SING,C1,H17,no,N,22,,20810,bmse001129,BMET001129
23,covalent,SING,C1,H15,no,N,23,,20810,bmse001129,BMET001129
1,covalent,SING,O23,C11,no,N,1,,20831,bmse001130,BMET001130
2,covalent,SING,O23,C14,no,N,2,,20831,bmse001130,BMET001130
3,covalent,SING,O22,C12,no,N,3,,20831,bmse001130,BMET001130
4,covalent,SING,O22,C13,no,N,4,,20831,bmse001130,BMET001130
5,covalent,SING,O21,C13,no,N,5,,20831,bmse001130,BMET001130
6,covalent,SING,O21,C5,no,N,6,,20831,bmse001130,BMET001130
7,covalent,SING,C10,O19,no,N,7,,20831,bmse001130,BMET001130
8,covalent,SING,O19,H35,no,N,8,,20831,bmse001130,BMET001130
9,covalent,SING,C9,O18,no,N,9,,20831,bmse001130,BMET001130
10,covalent,SING,O18,H33,no,N,10,,20831,bmse001130,BMET001130
11,covalent,SING,C14,O20,no,N,11,,20831,bmse001130,BMET001130
12,covalent,SING,O20,H34,no,N,12,,20831,bmse001130,BMET001130
13,carbonyl,DOUB,O17,C6,no,N,13,,20831,bmse001130,BMET001130
14,covalent,SING,C8,N16,no,N,14,,20831,bmse001130,BMET001130
15,covalent,SING,N16,C3,no,N,15,,20831,bmse001130,BMET001130
16,covalent,SING,N16,H37,no,N,16,,20831,bmse001130,BMET001130
17,covalent,SING,C7,N15,no,N,17,,20831,bmse001130,BMET001130
18,covalent,SING,N15,C2,no,N,18,,20831,bmse001130,BMET001130
19,covalent,SING,N15,H39,no,N,19,,20831,bmse001130,BMET001130
20,covalent,SING,C11,C12,no,N,20,,20831,bmse001130,BMET001130
21,covalent,SING,C11,C8,no,N,21,,20831,bmse001130,BMET001130
22,covalent,SING,C11,H46,no,N,22,,20831,bmse001130,BMET001130
23,covalent,SING,C12,C10,no,N,23,,20831,bmse001130,BMET001130
24,covalent,SING,C12,H45,no,N,24,,20831,bmse001130,BMET001130
25,covalent,SING,C8,C9,no,N,25,,20831,bmse001130,BMET001130
26,covalent,SING,C8,H47,no,N,26,,20831,bmse001130,BMET001130
27,covalent,SING,C10,C7,no,N,27,,20831,bmse001130,BMET001130
28,covalent,SING,C10,H44,no,N,28,,20831,bmse001130,BMET001130
29,covalent,SING,C7,C9,no,N,29,,20831,bmse001130,BMET001130
30,covalent,SING,C7,H43,no,N,30,,20831,bmse001130,BMET001130
31,covalent,SING,C9,H40,no,N,31,,20831,bmse001130,BMET001130
32,covalent,SING,C14,C13,no,N,32,,20831,bmse001130,BMET001130
33,covalent,SING,C14,C6,no,N,33,,20831,bmse001130,BMET001130
34,covalent,SING,C13,H41,no,N,34,,20831,bmse001130,BMET001130
35,covalent,SING,C6,C4,no,N,35,,20831,bmse001130,BMET001130
36,covalent,SING,C5,C4,no,N,36,,20831,bmse001130,BMET001130
37,covalent,SING,C5,C1,no,N,37,,20831,bmse001130,BMET001130
38,covalent,SING,C5,H36,no,N,38,,20831,bmse001130,BMET001130
39,covalent,SING,C4,H38,no,N,39,,20831,bmse001130,BMET001130
40,covalent,SING,C4,H42,no,N,40,,20831,bmse001130,BMET001130
41,covalent,SING,C3,H30,no,N,41,,20831,bmse001130,BMET001130
42,covalent,SING,C3,H31,no,N,42,,20831,bmse001130,BMET001130
43,covalent,SING,C3,H32,no,N,43,,20831,bmse001130,BMET001130
44,covalent,SING,C2,H29,no,N,44,,20831,bmse001130,BMET001130
45,covalent,SING,C2,H28,no,N,45,,20831,bmse001130,BMET001130
46,covalent,SING,C2,H27,no,N,46,,20831,bmse001130,BMET001130
47,covalent,SING,C1,H26,no,N,47,,20831,bmse001130,BMET001130
48,covalent,SING,C1,H24,no,N,48,,20831,bmse001130,BMET001130
49,covalent,SING,C1,H25,no,N,49,,20831,bmse001130,BMET001130
1,covalent,SING,C39,C29,no,N,1,,20852,bmse001131,BMET001131
2,covalent,SING,C39,C37,no,N,2,,20852,bmse001131,BMET001131
3,covalent,SING,C39,C7,no,N,3,,20852,bmse001131,BMET001131
4,covalent,SING,C39,C8,no,N,4,,20852,bmse001131,BMET001131
5,covalent,SING,C40,C30,no,N,5,,20852,bmse001131,BMET001131
6,covalent,SING,C40,C38,no,N,6,,20852,bmse001131,BMET001131
7,covalent,SING,C40,C9,no,N,7,,20852,bmse001131,BMET001131
8,covalent,SING,C40,C10,no,N,8,,20852,bmse001131,BMET001131
9,covalent,SING,C30,C16,no,N,9,,20852,bmse001131,BMET001131
10,covalent,SING,C30,H93,no,N,10,,20852,bmse001131,BMET001131
11,covalent,SING,C30,H94,no,N,11,,20852,bmse001131,BMET001131
12,covalent,SING,C29,C15,no,N,12,,20852,bmse001131,BMET001131
13,covalent,SING,C29,H95,no,N,13,,20852,bmse001131,BMET001131
14,covalent,SING,C29,H96,no,N,14,,20852,bmse001131,BMET001131
15,covalent,SING,C15,C23,no,N,15,,20852,bmse001131,BMET001131
16,covalent,SING,C15,H77,no,N,16,,20852,bmse001131,BMET001131
17,covalent,SING,C15,H78,no,N,17,,20852,bmse001131,BMET001131
18,covalent,SING,C16,C24,no,N,18,,20852,bmse001131,BMET001131
19,covalent,SING,C16,H75,no,N,19,,20852,bmse001131,BMET001131
20,covalent,SING,C16,H76,no,N,20,,20852,bmse001131,BMET001131
21,covalent,DOUB,C37,C35,no,N,21,,20852,bmse001131,BMET001131
22,covalent,SING,C37,C27,no,N,22,,20852,bmse001131,BMET001131
23,covalent,DOUB,C38,C36,no,N,23,,20852,bmse001131,BMET001131
24,covalent,SING,C38,C28,no,N,24,,20852,bmse001131,BMET001131
25,covalent,SING,C23,C35,no,N,25,,20852,bmse001131,BMET001131
26,covalent,SING,C23,H85,no,N,26,,20852,bmse001131,BMET001131
27,covalent,SING,C23,H86,no,N,27,,20852,bmse001131,BMET001131
28,covalent,SING,C24,C36,no,N,28,,20852,bmse001131,BMET001131
29,covalent,SING,C24,H87,no,N,29,,20852,bmse001131,BMET001131
30,covalent,SING,C24,H88,no,N,30,,20852,bmse001131,BMET001131
31,covalent,SING,C36,C6,no,N,31,,20852,bmse001131,BMET001131
32,covalent,SING,C35,C5,no,N,32,,20852,bmse001131,BMET001131
33,covalent,SING,C9,H63,no,N,33,,20852,bmse001131,BMET001131
34,covalent,SING,C9,H62,no,N,34,,20852,bmse001131,BMET001131
35,covalent,SING,C9,H64,no,N,35,,20852,bmse001131,BMET001131
36,covalent,SING,C10,H59,no,N,36,,20852,bmse001131,BMET001131
37,covalent,SING,C10,H61,no,N,37,,20852,bmse001131,BMET001131
38,covalent,SING,C10,H60,no,N,38,,20852,bmse001131,BMET001131
39,covalent,SING,C7,H66,no,N,39,,20852,bmse001131,BMET001131
40,covalent,SING,C7,H70,no,N,40,,20852,bmse001131,BMET001131
41,covalent,SING,C7,H69,no,N,41,,20852,bmse001131,BMET001131
42,covalent,SING,C8,H67,no,N,42,,20852,bmse001131,BMET001131
43,covalent,SING,C8,H65,no,N,43,,20852,bmse001131,BMET001131
44,covalent,SING,C8,H68,no,N,44,,20852,bmse001131,BMET001131
45,covalent,DOUB,C28,C26,no,E,45,,20852,bmse001131,BMET001131
46,covalent,SING,C28,H92,no,N,46,,20852,bmse001131,BMET001131
47,covalent,DOUB,C27,C25,no,E,47,,20852,bmse001131,BMET001131
48,covalent,SING,C27,H91,no,N,48,,20852,bmse001131,BMET001131
49,covalent,SING,C6,H54,no,N,49,,20852,bmse001131,BMET001131
50,covalent,SING,C6,H53,no,N,50,,20852,bmse001131,BMET001131
51,covalent,SING,C6,H55,no,N,51,,20852,bmse001131,BMET001131
52,covalent,SING,C5,H58,no,N,52,,20852,bmse001131,BMET001131
53,covalent,SING,C5,H56,no,N,53,,20852,bmse001131,BMET001131
54,covalent,SING,C5,H57,no,N,54,,20852,bmse001131,BMET001131
55,covalent,SING,C26,C34,no,N,55,,20852,bmse001131,BMET001131
56,covalent,SING,C26,H89,no,N,56,,20852,bmse001131,BMET001131
57,covalent,SING,C25,C33,no,N,57,,20852,bmse001131,BMET001131
58,covalent,SING,C25,H90,no,N,58,,20852,bmse001131,BMET001131
59,covalent,SING,C33,C3,no,N,59,,20852,bmse001131,BMET001131
60,covalent,DOUB,C33,C21,no,E,60,,20852,bmse001131,BMET001131
61,covalent,SING,C34,C4,no,N,61,,20852,bmse001131,BMET001131
62,covalent,DOUB,C34,C22,no,E,62,,20852,bmse001131,BMET001131
63,covalent,SING,C4,H52,no,N,63,,20852,bmse001131,BMET001131
64,covalent,SING,C4,H50,no,N,64,,20852,bmse001131,BMET001131
65,covalent,SING,C4,H51,no,N,65,,20852,bmse001131,BMET001131
66,covalent,SING,C3,H49,no,N,66,,20852,bmse001131,BMET001131
67,covalent,SING,C3,H48,no,N,67,,20852,bmse001131,BMET001131
68,covalent,SING,C3,H47,no,N,68,,20852,bmse001131,BMET001131
69,covalent,SING,C21,C13,no,N,69,,20852,bmse001131,BMET001131
70,covalent,SING,C21,H84,no,N,70,,20852,bmse001131,BMET001131
71,covalent,SING,C22,C14,no,N,71,,20852,bmse001131,BMET001131
72,covalent,SING,C22,H83,no,N,72,,20852,bmse001131,BMET001131
73,covalent,DOUB,C14,C20,no,E,73,,20852,bmse001131,BMET001131
74,covalent,SING,C14,H73,no,N,74,,20852,bmse001131,BMET001131
75,covalent,DOUB,C13,C19,no,E,75,,20852,bmse001131,BMET001131
76,covalent,SING,C13,H74,no,N,76,,20852,bmse001131,BMET001131
77,covalent,SING,C19,C31,no,N,77,,20852,bmse001131,BMET001131
78,covalent,SING,C19,H81,no,N,78,,20852,bmse001131,BMET001131
79,covalent,SING,C20,C32,no,N,79,,20852,bmse001131,BMET001131
80,covalent,SING,C20,H82,no,N,80,,20852,bmse001131,BMET001131
81,covalent,SING,C32,C2,no,N,81,,20852,bmse001131,BMET001131
82,covalent,DOUB,C32,C18,no,E,82,,20852,bmse001131,BMET001131
83,covalent,SING,C31,C1,no,N,83,,20852,bmse001131,BMET001131
84,covalent,DOUB,C31,C17,no,E,84,,20852,bmse001131,BMET001131
85,covalent,SING,C1,H46,no,N,85,,20852,bmse001131,BMET001131
86,covalent,SING,C1,H45,no,N,86,,20852,bmse001131,BMET001131
87,covalent,SING,C1,H44,no,N,87,,20852,bmse001131,BMET001131
88,covalent,SING,C2,H43,no,N,88,,20852,bmse001131,BMET001131
89,covalent,SING,C2,H41,no,N,89,,20852,bmse001131,BMET001131
90,covalent,SING,C2,H42,no,N,90,,20852,bmse001131,BMET001131
91,covalent,SING,C18,C12,no,N,91,,20852,bmse001131,BMET001131
92,covalent,SING,C18,H80,no,N,92,,20852,bmse001131,BMET001131
93,covalent,SING,C17,C11,no,N,93,,20852,bmse001131,BMET001131
94,covalent,SING,C17,H79,no,N,94,,20852,bmse001131,BMET001131
95,covalent,DOUB,C12,C11,no,Z,95,,20852,bmse001131,BMET001131
96,covalent,SING,C12,H72,no,N,96,,20852,bmse001131,BMET001131
97,covalent,SING,C11,H71,no,N,97,,20852,bmse001131,BMET001131
1,covalent,SING,C20,O26,no,N,1,,20873,bmse001132,BMET001132
2,covalent,SING,O26,H60,no,N,2,,20873,bmse001132,BMET001132
3,covalent,SING,C16,O25,no,N,3,,20873,bmse001132,BMET001132
4,covalent,SING,O25,H30,no,N,4,,20873,bmse001132,BMET001132
5,ester,SING,O27,C21,no,N,5,,20873,bmse001132,BMET001132
6,covalent,SING,O27,H45,no,N,6,,20873,bmse001132,BMET001132
7,carbonyl,DOUB,O28,C21,no,N,7,,20873,bmse001132,BMET001132
8,covalent,SING,C18,C24,no,N,8,,20873,bmse001132,BMET001132
9,covalent,SING,C18,C22,no,N,9,,20873,bmse001132,BMET001132
10,covalent,SING,C18,C6,no,N,10,,20873,bmse001132,BMET001132
11,covalent,SING,C18,H67,no,N,11,,20873,bmse001132,BMET001132
12,covalent,SING,C24,C17,no,N,12,,20873,bmse001132,BMET001132
13,covalent,SING,C24,C11,no,N,13,,20873,bmse001132,BMET001132
14,covalent,SING,C24,C3,no,N,14,,20873,bmse001132,BMET001132
15,covalent,SING,C22,C19,no,N,15,,20873,bmse001132,BMET001132
16,covalent,SING,C22,C20,no,N,16,,20873,bmse001132,BMET001132
17,covalent,SING,C22,H66,no,N,17,,20873,bmse001132,BMET001132
18,covalent,SING,C19,C23,no,N,18,,20873,bmse001132,BMET001132
19,covalent,SING,C19,C9,no,N,19,,20873,bmse001132,BMET001132
20,covalent,SING,C19,H68,no,N,20,,20873,bmse001132,BMET001132
21,covalent,SING,C23,C15,no,N,21,,20873,bmse001132,BMET001132
22,covalent,SING,C23,C10,no,N,22,,20873,bmse001132,BMET001132
23,covalent,SING,C23,C2,no,N,23,,20873,bmse001132,BMET001132
24,covalent,SING,C17,C5,no,N,24,,20873,bmse001132,BMET001132
25,covalent,SING,C17,C14,no,N,25,,20873,bmse001132,BMET001132
26,covalent,SING,C17,H62,no,N,26,,20873,bmse001132,BMET001132
27,covalent,SING,C15,C13,no,N,27,,20873,bmse001132,BMET001132
28,covalent,SING,C15,C12,no,N,28,,20873,bmse001132,BMET001132
29,covalent,SING,C15,H65,no,N,29,,20873,bmse001132,BMET001132
30,covalent,SING,C11,C9,no,N,30,,20873,bmse001132,BMET001132
31,covalent,SING,C11,H63,no,N,31,,20873,bmse001132,BMET001132
32,covalent,SING,C11,H61,no,N,32,,20873,bmse001132,BMET001132
33,covalent,SING,C9,H59,no,N,33,,20873,bmse001132,BMET001132
34,covalent,SING,C9,H52,no,N,34,,20873,bmse001132,BMET001132
35,covalent,SING,C20,C13,no,N,35,,20873,bmse001132,BMET001132
36,covalent,SING,C20,H53,no,N,36,,20873,bmse001132,BMET001132
37,covalent,SING,C6,C5,no,N,37,,20873,bmse001132,BMET001132
38,covalent,SING,C6,H48,no,N,38,,20873,bmse001132,BMET001132
39,covalent,SING,C6,H49,no,N,39,,20873,bmse001132,BMET001132
40,covalent,SING,C5,H64,no,N,40,,20873,bmse001132,BMET001132
41,covalent,SING,C5,H42,no,N,41,,20873,bmse001132,BMET001132
42,covalent,SING,C13,H43,no,N,42,,20873,bmse001132,BMET001132
43,covalent,SING,C13,H40,no,N,43,,20873,bmse001132,BMET001132
44,covalent,SING,C10,C8,no,N,44,,20873,bmse001132,BMET001132
45,covalent,SING,C10,H41,no,N,45,,20873,bmse001132,BMET001132
46,covalent,SING,C10,H56,no,N,46,,20873,bmse001132,BMET001132
47,covalent,SING,C3,H57,no,N,47,,20873,bmse001132,BMET001132
48,covalent,SING,C3,H50,no,N,48,,20873,bmse001132,BMET001132
49,covalent,SING,C3,H51,no,N,49,,20873,bmse001132,BMET001132
50,covalent,SING,C14,C4,no,N,50,,20873,bmse001132,BMET001132
51,covalent,SING,C14,C1,no,N,51,,20873,bmse001132,BMET001132
52,covalent,SING,C14,H37,no,N,52,,20873,bmse001132,BMET001132
53,covalent,SING,C12,C16,no,N,53,,20873,bmse001132,BMET001132
54,covalent,SING,C12,H35,no,N,54,,20873,bmse001132,BMET001132
55,covalent,SING,C12,H36,no,N,55,,20873,bmse001132,BMET001132
56,covalent,SING,C2,H58,no,N,56,,20873,bmse001132,BMET001132
57,covalent,SING,C2,H54,no,N,57,,20873,bmse001132,BMET001132
58,covalent,SING,C2,H55,no,N,58,,20873,bmse001132,BMET001132
59,covalent,SING,C8,C16,no,N,59,,20873,bmse001132,BMET001132
60,covalent,SING,C8,H32,no,N,60,,20873,bmse001132,BMET001132
61,covalent,SING,C8,H34,no,N,61,,20873,bmse001132,BMET001132
62,covalent,SING,C16,H33,no,N,62,,20873,bmse001132,BMET001132
63,covalent,SING,C4,C7,no,N,63,,20873,bmse001132,BMET001132
64,covalent,SING,C4,H46,no,N,64,,20873,bmse001132,BMET001132
65,covalent,SING,C4,H47,no,N,65,,20873,bmse001132,BMET001132
66,covalent,SING,C1,H38,no,N,66,,20873,bmse001132,BMET001132
67,covalent,SING,C1,H39,no,N,67,,20873,bmse001132,BMET001132
68,covalent,SING,C1,H29,no,N,68,,20873,bmse001132,BMET001132
69,covalent,SING,C7,C21,no,N,69,,20873,bmse001132,BMET001132
70,covalent,SING,C7,H31,no,N,70,,20873,bmse001132,BMET001132
71,covalent,SING,C7,H44,no,N,71,,20873,bmse001132,BMET001132
1,carbonyl,DOUB,O9,C6,no,N,1,,20893,bmse001133,BMET001133
2,covalent,SING,N8,C5,no,N,2,,20893,bmse001133,BMET001133
3,amide,SING,N8,C6,no,N,3,,20893,bmse001133,BMET001133
4,covalent,SING,N8,H20,no,N,4,,20893,bmse001133,BMET001133
5,covalent,SING,N7,C4,no,N,5,,20893,bmse001133,BMET001133
6,covalent,SING,N7,H17,no,N,6,,20893,bmse001133,BMET001133
7,covalent,SING,N7,H18,no,N,7,,20893,bmse001133,BMET001133
8,covalent,SING,C3,C2,no,N,8,,20893,bmse001133,BMET001133
9,covalent,SING,C3,C5,no,N,9,,20893,bmse001133,BMET001133
10,covalent,SING,C3,H23,no,N,10,,20893,bmse001133,BMET001133
11,covalent,SING,C3,H21,no,N,11,,20893,bmse001133,BMET001133
12,covalent,SING,C2,C4,no,N,12,,20893,bmse001133,BMET001133
13,covalent,SING,C2,H22,no,N,13,,20893,bmse001133,BMET001133
14,covalent,SING,C2,H15,no,N,14,,20893,bmse001133,BMET001133
15,covalent,SING,C5,H16,no,N,15,,20893,bmse001133,BMET001133
16,covalent,SING,C5,H13,no,N,16,,20893,bmse001133,BMET001133
17,covalent,SING,C4,H14,no,N,17,,20893,bmse001133,BMET001133
18,covalent,SING,C4,H19,no,N,18,,20893,bmse001133,BMET001133
19,covalent,SING,C6,C1,no,N,19,,20893,bmse001133,BMET001133
20,covalent,SING,C1,H10,no,N,20,,20893,bmse001133,BMET001133
21,covalent,SING,C1,H11,no,N,21,,20893,bmse001133,BMET001133
22,covalent,SING,C1,H12,no,N,22,,20893,bmse001133,BMET001133
1,ester,SING,O6,C3,no,N,1,,20913,bmse001134,BMET001134
2,carbonyl,DOUB,O7,C3,no,N,2,,20913,bmse001134,BMET001134
3,covalent,SING,N5,C1,no,N,3,,20913,bmse001134,BMET001134
4,covalent,DOUB,N5,C2,no,E,4,,20913,bmse001134,BMET001134
5,covalent,SING,N5,H12,no,N,5,,20913,bmse001134,BMET001134
6,covalent,SING,N4,C2,no,N,6,,20913,bmse001134,BMET001134
7,covalent,SING,N4,H9,no,N,7,,20913,bmse001134,BMET001134
8,covalent,SING,N4,H10,no,N,8,,20913,bmse001134,BMET001134
9,covalent,SING,C1,C3,no,N,9,,20913,bmse001134,BMET001134
10,covalent,SING,C1,H13,no,N,10,,20913,bmse001134,BMET001134
11,covalent,SING,C1,H11,no,N,11,,20913,bmse001134,BMET001134
12,covalent,SING,C2,H8,no,N,12,,20913,bmse001134,BMET001134
1,carbonyl,DOUB,O22,C13,no,N,1,,20934,bmse001135,BMET001135
2,carbonyl,DOUB,O23,C15,no,N,2,,20934,bmse001135,BMET001135
3,covalent,SING,C16,C19,no,N,3,,20934,bmse001135,BMET001135
4,covalent,SING,C16,C18,no,N,4,,20934,bmse001135,BMET001135
5,covalent,SING,C16,C5,no,N,5,,20934,bmse001135,BMET001135
6,covalent,SING,C16,H49,no,N,6,,20934,bmse001135,BMET001135
7,covalent,SING,C19,C20,no,N,7,,20934,bmse001135,BMET001135
8,covalent,SING,C19,C9,no,N,8,,20934,bmse001135,BMET001135
9,covalent,SING,C19,H51,no,N,9,,20934,bmse001135,BMET001135
10,covalent,SING,C18,C21,no,N,10,,20934,bmse001135,BMET001135
11,covalent,SING,C18,C7,no,N,11,,20934,bmse001135,BMET001135
12,covalent,SING,C18,H50,no,N,12,,20934,bmse001135,BMET001135
13,covalent,SING,C21,C11,no,N,13,,20934,bmse001135,BMET001135
14,covalent,SING,C21,C17,no,N,14,,20934,bmse001135,BMET001135
15,covalent,SING,C21,C3,no,N,15,,20934,bmse001135,BMET001135
16,covalent,SING,C20,C14,no,N,16,,20934,bmse001135,BMET001135
17,covalent,SING,C20,C10,no,N,17,,20934,bmse001135,BMET001135
18,covalent,SING,C20,C2,no,N,18,,20934,bmse001135,BMET001135
19,covalent,SING,C9,C11,no,N,19,,20934,bmse001135,BMET001135
20,covalent,SING,C9,H42,no,N,20,,20934,bmse001135,BMET001135
21,covalent,SING,C9,H43,no,N,21,,20934,bmse001135,BMET001135
22,covalent,SING,C11,H46,no,N,22,,20934,bmse001135,BMET001135
23,covalent,SING,C11,H47,no,N,23,,20934,bmse001135,BMET001135
24,covalent,SING,C5,C4,no,N,24,,20934,bmse001135,BMET001135
25,covalent,SING,C5,H35,no,N,25,,20934,bmse001135,BMET001135
26,covalent,SING,C5,H36,no,N,26,,20934,bmse001135,BMET001135
27,covalent,SING,C7,C6,no,N,27,,20934,bmse001135,BMET001135
28,covalent,SING,C7,H38,no,N,28,,20934,bmse001135,BMET001135
29,covalent,SING,C7,H39,no,N,29,,20934,bmse001135,BMET001135
30,covalent,SING,C14,C4,no,N,30,,20934,bmse001135,BMET001135
31,covalent,DOUB,C14,C12,no,N,31,,20934,bmse001135,BMET001135
32,covalent,SING,C4,H33,no,N,32,,20934,bmse001135,BMET001135
33,covalent,SING,C4,H34,no,N,33,,20934,bmse001135,BMET001135
34,covalent,DOUB,C17,C6,no,N,34,,20934,bmse001135,BMET001135
35,covalent,SING,C17,C13,no,N,35,,20934,bmse001135,BMET001135
36,covalent,SING,C10,C8,no,N,36,,20934,bmse001135,BMET001135
37,covalent,SING,C10,H44,no,N,37,,20934,bmse001135,BMET001135
38,covalent,SING,C10,H45,no,N,38,,20934,bmse001135,BMET001135
39,covalent,SING,C3,H30,no,N,39,,20934,bmse001135,BMET001135
40,covalent,SING,C3,H32,no,N,40,,20934,bmse001135,BMET001135
41,covalent,SING,C3,H31,no,N,41,,20934,bmse001135,BMET001135
42,covalent,SING,C2,H27,no,N,42,,20934,bmse001135,BMET001135
43,covalent,SING,C2,H29,no,N,43,,20934,bmse001135,BMET001135
44,covalent,SING,C2,H28,no,N,44,,20934,bmse001135,BMET001135
45,covalent,SING,C6,H37,no,N,45,,20934,bmse001135,BMET001135
46,covalent,SING,C8,C15,no,N,46,,20934,bmse001135,BMET001135
47,covalent,SING,C8,H40,no,N,47,,20934,bmse001135,BMET001135
48,covalent,SING,C8,H41,no,N,48,,20934,bmse001135,BMET001135
49,covalent,SING,C12,C15,no,N,49,,20934,bmse001135,BMET001135
50,covalent,SING,C12,H48,no,N,50,,20934,bmse001135,BMET001135
51,covalent,SING,C13,C1,no,N,51,,20934,bmse001135,BMET001135
52,covalent,SING,C1,H26,no,N,52,,20934,bmse001135,BMET001135
53,covalent,SING,C1,H25,no,N,53,,20934,bmse001135,BMET001135
54,covalent,SING,C1,H24,no,N,54,,20934,bmse001135,BMET001135
1,covalent,SING,O17,C14,no,N,1,,20955,bmse001136,BMET001136
2,covalent,SING,O17,H26,no,N,2,,20955,bmse001136,BMET001136
3,covalent,SING,O16,C13,no,N,3,,20955,bmse001136,BMET001136
4,covalent,SING,O16,H22,no,N,4,,20955,bmse001136,BMET001136
5,covalent,SING,O15,C12,no,N,5,,20955,bmse001136,BMET001136
6,covalent,SING,O15,H23,no,N,6,,20955,bmse001136,BMET001136
7,covalent,SING,C11,C2,no,N,7,,20955,bmse001136,BMET001136
8,covalent,AROM,C11,C7,yes,N,8,,20955,bmse001136,BMET001136
9,covalent,AROM,C11,C8,yes,N,9,,20955,bmse001136,BMET001136
10,covalent,SING,C10,C1,no,N,10,,20955,bmse001136,BMET001136
11,covalent,AROM,C10,C3,yes,N,11,,20955,bmse001136,BMET001136
12,covalent,AROM,C10,C4,yes,N,12,,20955,bmse001136,BMET001136
13,covalent,DOUB,C2,C1,no,E,13,,20955,bmse001136,BMET001136
14,covalent,SING,C2,H29,no,N,14,,20955,bmse001136,BMET001136
15,covalent,SING,C1,H28,no,N,15,,20955,bmse001136,BMET001136
16,covalent,AROM,C7,C13,yes,N,16,,20955,bmse001136,BMET001136
17,covalent,SING,C7,H27,no,N,17,,20955,bmse001136,BMET001136
18,covalent,AROM,C8,C14,yes,N,18,,20955,bmse001136,BMET001136
19,covalent,SING,C8,H19,no,N,19,,20955,bmse001136,BMET001136
20,covalent,AROM,C14,C9,yes,N,20,,20955,bmse001136,BMET001136
21,covalent,AROM,C13,C9,yes,N,21,,20955,bmse001136,BMET001136
22,covalent,AROM,C3,C5,yes,N,22,,20955,bmse001136,BMET001136
23,covalent,SING,C3,H18,no,N,23,,20955,bmse001136,BMET001136
24,covalent,AROM,C4,C6,yes,N,24,,20955,bmse001136,BMET001136
25,covalent,SING,C4,H24,no,N,25,,20955,bmse001136,BMET001136
26,covalent,SING,C9,H25,no,N,26,,20955,bmse001136,BMET001136
27,covalent,AROM,C5,C12,yes,N,27,,20955,bmse001136,BMET001136
28,covalent,SING,C5,H20,no,N,28,,20955,bmse001136,BMET001136
29,covalent,AROM,C6,C12,yes,N,29,,20955,bmse001136,BMET001136
30,covalent,SING,C6,H21,no,N,30,,20955,bmse001136,BMET001136
1,covalent,SING,P35,O33,no,N,1,,20976,bmse001137,BMET001137
2,covalent,SING,P35,O34,no,N,2,,20976,bmse001137,BMET001137
3,covalent,SING,P35,O30,no,N,3,,20976,bmse001137,BMET001137
4,covalent,DOUB,P35,O31,no,N,4,,20976,bmse001137,BMET001137
5,covalent,SING,O33,C22,no,N,5,,20976,bmse001137,BMET001137
6,covalent,SING,O34,C24,no,N,6,,20976,bmse001137,BMET001137
7,ester,SING,O32,C26,no,N,7,,20976,bmse001137,BMET001137
8,covalent,SING,O32,C23,no,N,8,,20976,bmse001137,BMET001137
9,covalent,SING,O30,H82,no,N,9,,20976,bmse001137,BMET001137
10,covalent,SING,O28,C25,no,N,10,,20976,bmse001137,BMET001137
11,covalent,SING,O28,H83,no,N,11,,20976,bmse001137,BMET001137
12,carbonyl,DOUB,O29,C26,no,N,12,,20976,bmse001137,BMET001137
13,covalent,SING,N27,C21,no,N,13,,20976,bmse001137,BMET001137
14,covalent,SING,N27,C2,no,N,14,,20976,bmse001137,BMET001137
15,covalent,SING,N27,C3,no,N,15,,20976,bmse001137,BMET001137
16,covalent,SING,N27,C4,no,N,16,,20976,bmse001137,BMET001137
17,covalent,SING,C21,C22,no,N,17,,20976,bmse001137,BMET001137
18,covalent,SING,C21,H88,no,N,18,,20976,bmse001137,BMET001137
19,covalent,SING,C21,H87,no,N,19,,20976,bmse001137,BMET001137
20,covalent,SING,C2,H39,no,N,20,,20976,bmse001137,BMET001137
21,covalent,SING,C2,H40,no,N,21,,20976,bmse001137,BMET001137
22,covalent,SING,C2,H41,no,N,22,,20976,bmse001137,BMET001137
23,covalent,SING,C3,H78,no,N,23,,20976,bmse001137,BMET001137
24,covalent,SING,C3,H79,no,N,24,,20976,bmse001137,BMET001137
25,covalent,SING,C3,H47,no,N,25,,20976,bmse001137,BMET001137
26,covalent,SING,C4,H43,no,N,26,,20976,bmse001137,BMET001137
27,covalent,SING,C4,H42,no,N,27,,20976,bmse001137,BMET001137
28,covalent,SING,C4,H44,no,N,28,,20976,bmse001137,BMET001137
29,covalent,SING,C22,H46,no,N,29,,20976,bmse001137,BMET001137
30,covalent,SING,C22,H45,no,N,30,,20976,bmse001137,BMET001137
31,covalent,SING,C17,C16,no,N,31,,20976,bmse001137,BMET001137
32,covalent,SING,C17,C18,no,N,32,,20976,bmse001137,BMET001137
33,covalent,SING,C17,H80,no,N,33,,20976,bmse001137,BMET001137
34,covalent,SING,C17,H81,no,N,34,,20976,bmse001137,BMET001137
35,covalent,SING,C16,C15,no,N,35,,20976,bmse001137,BMET001137
36,covalent,SING,C16,H70,no,N,36,,20976,bmse001137,BMET001137
37,covalent,SING,C16,H71,no,N,37,,20976,bmse001137,BMET001137
38,covalent,SING,C8,C9,no,N,38,,20976,bmse001137,BMET001137
39,covalent,SING,C8,C7,no,N,39,,20976,bmse001137,BMET001137
40,covalent,SING,C8,H68,no,N,40,,20976,bmse001137,BMET001137
41,covalent,SING,C8,H69,no,N,41,,20976,bmse001137,BMET001137
42,covalent,SING,C9,C10,no,N,42,,20976,bmse001137,BMET001137
43,covalent,SING,C9,H54,no,N,43,,20976,bmse001137,BMET001137
44,covalent,SING,C9,H55,no,N,44,,20976,bmse001137,BMET001137
45,covalent,SING,C18,C19,no,N,45,,20976,bmse001137,BMET001137
46,covalent,SING,C18,H56,no,N,46,,20976,bmse001137,BMET001137
47,covalent,SING,C18,H57,no,N,47,,20976,bmse001137,BMET001137
48,covalent,SING,C15,C14,no,N,48,,20976,bmse001137,BMET001137
49,covalent,SING,C15,H72,no,N,49,,20976,bmse001137,BMET001137
50,covalent,SING,C15,H73,no,N,50,,20976,bmse001137,BMET001137
51,covalent,SING,C7,C6,no,N,51,,20976,bmse001137,BMET001137
52,covalent,SING,C7,H66,no,N,52,,20976,bmse001137,BMET001137
53,covalent,SING,C7,H67,no,N,53,,20976,bmse001137,BMET001137
54,covalent,SING,C10,C11,no,N,54,,20976,bmse001137,BMET001137
55,covalent,SING,C10,H52,no,N,55,,20976,bmse001137,BMET001137
56,covalent,SING,C10,H53,no,N,56,,20976,bmse001137,BMET001137
57,covalent,SING,C19,C20,no,N,57,,20976,bmse001137,BMET001137
58,covalent,SING,C19,H58,no,N,58,,20976,bmse001137,BMET001137
59,covalent,SING,C19,H59,no,N,59,,20976,bmse001137,BMET001137
60,covalent,SING,C6,C5,no,N,60,,20976,bmse001137,BMET001137
61,covalent,SING,C6,H74,no,N,61,,20976,bmse001137,BMET001137
62,covalent,SING,C6,H75,no,N,62,,20976,bmse001137,BMET001137
63,covalent,SING,C14,C13,no,N,63,,20976,bmse001137,BMET001137
64,covalent,SING,C14,H50,no,N,64,,20976,bmse001137,BMET001137
65,covalent,SING,C14,H51,no,N,65,,20976,bmse001137,BMET001137
66,covalent,SING,C11,C12,no,N,66,,20976,bmse001137,BMET001137
67,covalent,SING,C11,H64,no,N,67,,20976,bmse001137,BMET001137
68,covalent,SING,C11,H65,no,N,68,,20976,bmse001137,BMET001137
69,covalent,SING,C5,C1,no,N,69,,20976,bmse001137,BMET001137
70,covalent,SING,C5,H60,no,N,70,,20976,bmse001137,BMET001137
71,covalent,SING,C5,H61,no,N,71,,20976,bmse001137,BMET001137
72,covalent,SING,C20,C26,no,N,72,,20976,bmse001137,BMET001137
73,covalent,SING,C20,H48,no,N,73,,20976,bmse001137,BMET001137
74,covalent,SING,C20,H49,no,N,74,,20976,bmse001137,BMET001137
75,covalent,DOUB,C13,C12,no,Z,75,,20976,bmse001137,BMET001137
76,covalent,SING,C13,H76,no,N,76,,20976,bmse001137,BMET001137
77,covalent,SING,C12,H77,no,N,77,,20976,bmse001137,BMET001137
78,covalent,SING,C1,H63,no,N,78,,20976,bmse001137,BMET001137
79,covalent,SING,C1,H62,no,N,79,,20976,bmse001137,BMET001137
80,covalent,SING,C1,H38,no,N,80,,20976,bmse001137,BMET001137
81,covalent,SING,C25,C24,no,N,81,,20976,bmse001137,BMET001137
82,covalent,SING,C25,C23,no,N,82,,20976,bmse001137,BMET001137
83,covalent,SING,C25,H36,no,N,83,,20976,bmse001137,BMET001137
84,covalent,SING,C24,H37,no,N,84,,20976,bmse001137,BMET001137
85,covalent,SING,C24,H86,no,N,85,,20976,bmse001137,BMET001137
86,covalent,SING,C23,H84,no,N,86,,20976,bmse001137,BMET001137
87,covalent,SING,C23,H85,no,N,87,,20976,bmse001137,BMET001137
1,covalent,SING,O11,C10,no,N,1,,20997,bmse001138,BMET001138
2,covalent,SING,O11,H26,no,N,2,,20997,bmse001138,BMET001138
3,covalent,SING,C10,C8,no,N,3,,20997,bmse001138,BMET001138
4,covalent,SING,C10,C4,no,N,4,,20997,bmse001138,BMET001138
5,covalent,SING,C10,C5,no,N,5,,20997,bmse001138,BMET001138
6,covalent,SING,C8,C6,no,N,6,,20997,bmse001138,BMET001138
7,covalent,SING,C8,H29,no,N,7,,20997,bmse001138,BMET001138
8,covalent,SING,C8,H27,no,N,8,,20997,bmse001138,BMET001138
9,covalent,SING,C6,C7,no,N,9,,20997,bmse001138,BMET001138
10,covalent,SING,C6,H28,no,N,10,,20997,bmse001138,BMET001138
11,covalent,SING,C6,H24,no,N,11,,20997,bmse001138,BMET001138
12,covalent,SING,C4,H25,no,N,12,,20997,bmse001138,BMET001138
13,covalent,SING,C4,H21,no,N,13,,20997,bmse001138,BMET001138
14,covalent,SING,C4,H22,no,N,14,,20997,bmse001138,BMET001138
15,covalent,DOUB,C5,C1,no,N,15,,20997,bmse001138,BMET001138
16,covalent,SING,C5,H20,no,N,16,,20997,bmse001138,BMET001138
17,covalent,DOUB,C7,C9,no,N,17,,20997,bmse001138,BMET001138
18,covalent,SING,C7,H23,no,N,18,,20997,bmse001138,BMET001138
19,covalent,SING,C9,C2,no,N,19,,20997,bmse001138,BMET001138
20,covalent,SING,C9,C3,no,N,20,,20997,bmse001138,BMET001138
21,covalent,SING,C2,H17,no,N,21,,20997,bmse001138,BMET001138
22,covalent,SING,C2,H18,no,N,22,,20997,bmse001138,BMET001138
23,covalent,SING,C2,H19,no,N,23,,20997,bmse001138,BMET001138
24,covalent,SING,C3,H14,no,N,24,,20997,bmse001138,BMET001138
25,covalent,SING,C3,H15,no,N,25,,20997,bmse001138,BMET001138
26,covalent,SING,C3,H16,no,N,26,,20997,bmse001138,BMET001138
27,covalent,SING,C1,H12,no,N,27,,20997,bmse001138,BMET001138
28,covalent,SING,C1,H13,no,N,28,,20997,bmse001138,BMET001138
1,covalent,SING,C17,O21,no,N,1,,21018,bmse001139,BMET001139
2,covalent,SING,O21,H23,no,N,2,,21018,bmse001139,BMET001139
3,covalent,SING,C16,O20,no,N,3,,21018,bmse001139,BMET001139
4,covalent,SING,O20,H25,no,N,4,,21018,bmse001139,BMET001139
5,covalent,SING,O19,C11,no,N,5,,21018,bmse001139,BMET001139
6,covalent,SING,O19,H27,no,N,6,,21018,bmse001139,BMET001139
7,covalent,SING,C18,C15,no,N,7,,21018,bmse001139,BMET001139
8,covalent,SING,C18,C17,no,N,8,,21018,bmse001139,BMET001139
9,covalent,SING,C18,C7,no,N,9,,21018,bmse001139,BMET001139
10,covalent,SING,C18,C1,no,N,10,,21018,bmse001139,BMET001139
11,covalent,SING,C15,C14,no,N,11,,21018,bmse001139,BMET001139
12,covalent,SING,C15,C9,no,N,12,,21018,bmse001139,BMET001139
13,covalent,SING,C15,H45,no,N,13,,21018,bmse001139,BMET001139
14,covalent,SING,C14,C13,no,N,14,,21018,bmse001139,BMET001139
15,covalent,SING,C14,C4,no,N,15,,21018,bmse001139,BMET001139
16,covalent,SING,C14,H44,no,N,16,,21018,bmse001139,BMET001139
17,covalent,SING,C13,C6,no,N,17,,21018,bmse001139,BMET001139
18,covalent,SING,C13,C12,no,N,18,,21018,bmse001139,BMET001139
19,covalent,SING,C13,H43,no,N,19,,21018,bmse001139,BMET001139
20,covalent,SING,C17,C16,no,N,20,,21018,bmse001139,BMET001139
21,covalent,SING,C17,H40,no,N,21,,21018,bmse001139,BMET001139
22,covalent,SING,C7,C6,no,N,22,,21018,bmse001139,BMET001139
23,covalent,SING,C7,H39,no,N,23,,21018,bmse001139,BMET001139
24,covalent,SING,C7,H38,no,N,24,,21018,bmse001139,BMET001139
25,covalent,SING,C9,C16,no,N,25,,21018,bmse001139,BMET001139
26,covalent,SING,C9,H42,no,N,26,,21018,bmse001139,BMET001139
27,covalent,SING,C9,H33,no,N,27,,21018,bmse001139,BMET001139
28,covalent,SING,C16,H34,no,N,28,,21018,bmse001139,BMET001139
29,covalent,SING,C6,H36,no,N,29,,21018,bmse001139,BMET001139
30,covalent,SING,C6,H37,no,N,30,,21018,bmse001139,BMET001139
31,covalent,SING,C4,C2,no,N,31,,21018,bmse001139,BMET001139
32,covalent,SING,C4,H41,no,N,32,,21018,bmse001139,BMET001139
33,covalent,SING,C4,H31,no,N,33,,21018,bmse001139,BMET001139
34,covalent,SING,C1,H32,no,N,34,,21018,bmse001139,BMET001139
35,covalent,SING,C1,H28,no,N,35,,21018,bmse001139,BMET001139
36,covalent,SING,C1,H29,no,N,36,,21018,bmse001139,BMET001139
37,covalent,AROM,C12,C10,yes,N,37,,21018,bmse001139,BMET001139
38,covalent,AROM,C12,C5,yes,N,38,,21018,bmse001139,BMET001139
39,covalent,SING,C2,C10,no,N,39,,21018,bmse001139,BMET001139
40,covalent,SING,C2,H22,no,N,40,,21018,bmse001139,BMET001139
41,covalent,SING,C2,H24,no,N,41,,21018,bmse001139,BMET001139
42,covalent,AROM,C10,C8,yes,N,42,,21018,bmse001139,BMET001139
43,covalent,AROM,C5,C3,yes,N,43,,21018,bmse001139,BMET001139
44,covalent,SING,C5,H26,no,N,44,,21018,bmse001139,BMET001139
45,covalent,AROM,C8,C11,yes,N,45,,21018,bmse001139,BMET001139
46,covalent,SING,C8,H30,no,N,46,,21018,bmse001139,BMET001139
47,covalent,AROM,C3,C11,yes,N,47,,21018,bmse001139,BMET001139
48,covalent,SING,C3,H35,no,N,48,,21018,bmse001139,BMET001139
1,carbonyl,DOUB,O21,C17,no,N,1,,21038,bmse001140,BMET001140
2,covalent,SING,O20,C16,no,N,2,,21038,bmse001140,BMET001140
3,covalent,SING,O20,H38,no,N,3,,21038,bmse001140,BMET001140
4,covalent,SING,O19,C15,no,N,4,,21038,bmse001140,BMET001140
5,covalent,SING,O19,H37,no,N,5,,21038,bmse001140,BMET001140
6,covalent,SING,C14,C18,no,N,6,,21038,bmse001140,BMET001140
7,covalent,SING,C14,C12,no,N,7,,21038,bmse001140,BMET001140
8,covalent,SING,C14,C4,no,N,8,,21038,bmse001140,BMET001140
9,covalent,SING,C14,H43,no,N,9,,21038,bmse001140,BMET001140
10,covalent,SING,C18,C7,no,N,10,,21038,bmse001140,BMET001140
11,covalent,SING,C18,C17,no,N,11,,21038,bmse001140,BMET001140
12,covalent,SING,C18,C1,no,N,12,,21038,bmse001140,BMET001140
13,covalent,SING,C12,C11,no,N,13,,21038,bmse001140,BMET001140
14,covalent,SING,C12,C3,no,N,14,,21038,bmse001140,BMET001140
15,covalent,SING,C12,H42,no,N,15,,21038,bmse001140,BMET001140
16,covalent,SING,C11,C6,no,N,16,,21038,bmse001140,BMET001140
17,covalent,SING,C11,C13,no,N,17,,21038,bmse001140,BMET001140
18,covalent,SING,C11,H41,no,N,18,,21038,bmse001140,BMET001140
19,covalent,SING,C7,C6,no,N,19,,21038,bmse001140,BMET001140
20,covalent,SING,C7,H40,no,N,20,,21038,bmse001140,BMET001140
21,covalent,SING,C7,H39,no,N,21,,21038,bmse001140,BMET001140
22,covalent,SING,C4,C5,no,N,22,,21038,bmse001140,BMET001140
23,covalent,SING,C4,H35,no,N,23,,21038,bmse001140,BMET001140
24,covalent,SING,C4,H36,no,N,24,,21038,bmse001140,BMET001140
25,covalent,SING,C6,H29,no,N,25,,21038,bmse001140,BMET001140
26,covalent,SING,C6,H30,no,N,26,,21038,bmse001140,BMET001140
27,covalent,SING,C3,C2,no,N,27,,21038,bmse001140,BMET001140
28,covalent,SING,C3,H33,no,N,28,,21038,bmse001140,BMET001140
29,covalent,SING,C3,H34,no,N,29,,21038,bmse001140,BMET001140
30,covalent,SING,C17,C5,no,N,30,,21038,bmse001140,BMET001140
31,covalent,SING,C5,H27,no,N,31,,21038,bmse001140,BMET001140
32,covalent,SING,C5,H28,no,N,32,,21038,bmse001140,BMET001140
33,covalent,SING,C1,H31,no,N,33,,21038,bmse001140,BMET001140
34,covalent,SING,C1,H32,no,N,34,,21038,bmse001140,BMET001140
35,covalent,SING,C1,H23,no,N,35,,21038,bmse001140,BMET001140
36,covalent,AROM,C13,C10,yes,N,36,,21038,bmse001140,BMET001140
37,covalent,AROM,C13,C9,yes,N,37,,21038,bmse001140,BMET001140
38,covalent,SING,C2,C10,no,N,38,,21038,bmse001140,BMET001140
39,covalent,SING,C2,H24,no,N,39,,21038,bmse001140,BMET001140
40,covalent,SING,C2,H22,no,N,40,,21038,bmse001140,BMET001140
41,covalent,AROM,C10,C8,yes,N,41,,21038,bmse001140,BMET001140
42,covalent,AROM,C9,C16,yes,N,42,,21038,bmse001140,BMET001140
43,covalent,SING,C9,H25,no,N,43,,21038,bmse001140,BMET001140
44,covalent,AROM,C8,C15,yes,N,44,,21038,bmse001140,BMET001140
45,covalent,SING,C8,H26,no,N,45,,21038,bmse001140,BMET001140
46,covalent,AROM,C16,C15,yes,N,46,,21038,bmse001140,BMET001140
1,carbonyl,DOUB,O13,C11,no,N,1,,21059,bmse001141,BMET001141
2,carbonyl,DOUB,O12,C10,no,N,2,,21059,bmse001141,BMET001141
3,covalent,AROM,C9,C8,yes,N,3,,21059,bmse001141,BMET001141
4,covalent,SING,C9,C11,no,N,4,,21059,bmse001141,BMET001141
5,covalent,AROM,C9,C5,yes,N,5,,21059,bmse001141,BMET001141
6,covalent,SING,C8,C10,no,N,6,,21059,bmse001141,BMET001141
7,covalent,AROM,C8,C4,yes,N,7,,21059,bmse001141,BMET001141
8,covalent,SING,C7,C11,no,N,8,,21059,bmse001141,BMET001141
9,covalent,DOUB,C7,C6,no,N,9,,21059,bmse001141,BMET001141
10,covalent,SING,C7,C1,no,N,10,,21059,bmse001141,BMET001141
11,covalent,SING,C10,C6,no,N,11,,21059,bmse001141,BMET001141
12,covalent,SING,C6,H21,no,N,12,,21059,bmse001141,BMET001141
13,covalent,AROM,C5,C3,yes,N,13,,21059,bmse001141,BMET001141
14,covalent,SING,C5,H20,no,N,14,,21059,bmse001141,BMET001141
15,covalent,AROM,C4,C2,yes,N,15,,21059,bmse001141,BMET001141
16,covalent,SING,C4,H19,no,N,16,,21059,bmse001141,BMET001141
17,covalent,SING,C1,H15,no,N,17,,21059,bmse001141,BMET001141
18,covalent,SING,C1,H14,no,N,18,,21059,bmse001141,BMET001141
19,covalent,SING,C1,H16,no,N,19,,21059,bmse001141,BMET001141
20,covalent,AROM,C3,C2,yes,N,20,,21059,bmse001141,BMET001141
21,covalent,SING,C3,H18,no,N,21,,21059,bmse001141,BMET001141
22,covalent,SING,C2,H17,no,N,22,,21059,bmse001141,BMET001141
1,covalent,SING,C2,O6,no,N,1,,21080,bmse001142,BMET001142
2,covalent,SING,O6,H9,no,N,2,,21080,bmse001142,BMET001142
3,ester,SING,O7,C4,no,N,3,,21080,bmse001142,BMET001142
4,covalent,SING,O7,H10,no,N,4,,21080,bmse001142,BMET001142
5,carbonyl,DOUB,O8,C4,no,N,5,,21080,bmse001142,BMET001142
6,covalent,SING,C3,N5,no,N,6,,21080,bmse001142,BMET001142
7,covalent,SING,N5,H13,no,N,7,,21080,bmse001142,BMET001142
8,covalent,SING,N5,H11,no,N,8,,21080,bmse001142,BMET001142
9,covalent,SING,C2,C3,no,N,9,,21080,bmse001142,BMET001142
10,covalent,SING,C2,C1,no,N,10,,21080,bmse001142,BMET001142
11,covalent,SING,C2,H17,no,N,11,,21080,bmse001142,BMET001142
12,covalent,SING,C3,C4,no,N,12,,21080,bmse001142,BMET001142
13,covalent,SING,C3,H16,no,N,13,,21080,bmse001142,BMET001142
14,covalent,SING,C1,H14,no,N,14,,21080,bmse001142,BMET001142
15,covalent,SING,C1,H15,no,N,15,,21080,bmse001142,BMET001142
16,covalent,SING,C1,H12,no,N,16,,21080,bmse001142,BMET001142
1,covalent,SING,O42,C15,no,N,1,,21101,bmse001143,BMET001143
2,covalent,SING,O42,C27,no,N,2,,21101,bmse001143,BMET001143
3,covalent,SING,C26,O39,no,N,3,,21101,bmse001143,BMET001143
4,covalent,SING,O39,C7,no,N,4,,21101,bmse001143,BMET001143
5,covalent,SING,O40,C26,no,N,5,,21101,bmse001143,BMET001143
6,covalent,SING,O40,C8,no,N,6,,21101,bmse001143,BMET001143
7,covalent,SING,C18,O33,no,N,7,,21101,bmse001143,BMET001143
8,covalent,SING,O33,H82,no,N,8,,21101,bmse001143,BMET001143
9,covalent,SING,C21,O36,no,N,9,,21101,bmse001143,BMET001143
10,covalent,SING,O36,H55,no,N,10,,21101,bmse001143,BMET001143
11,covalent,SING,C27,O43,no,N,11,,21101,bmse001143,BMET001143
12,covalent,SING,O43,C25,no,N,12,,21101,bmse001143,BMET001143
13,covalent,SING,C23,O38,no,N,13,,21101,bmse001143,BMET001143
14,covalent,SING,O38,H57,no,N,14,,21101,bmse001143,BMET001143
15,covalent,SING,C22,O37,no,N,15,,21101,bmse001143,BMET001143
16,covalent,SING,O37,H59,no,N,16,,21101,bmse001143,BMET001143
17,covalent,SING,C20,O35,no,N,17,,21101,bmse001143,BMET001143
18,covalent,SING,O35,H61,no,N,18,,21101,bmse001143,BMET001143
19,covalent,SING,C17,O32,no,N,19,,21101,bmse001143,BMET001143
20,covalent,SING,O32,H60,no,N,20,,21101,bmse001143,BMET001143
21,covalent,AROM,O41,C24,yes,N,21,,21101,bmse001143,BMET001143
22,covalent,AROM,O41,C14,yes,N,22,,21101,bmse001143,BMET001143
23,carbonyl,DOUB,O34,C19,no,N,23,,21101,bmse001143,BMET001143
24,covalent,SING,O31,C13,no,N,24,,21101,bmse001143,BMET001143
25,covalent,SING,O31,H53,no,N,25,,21101,bmse001143,BMET001143
26,covalent,SING,O28,C10,no,N,26,,21101,bmse001143,BMET001143
27,covalent,SING,O28,H54,no,N,27,,21101,bmse001143,BMET001143
28,covalent,SING,O30,C12,no,N,28,,21101,bmse001143,BMET001143
29,covalent,SING,O30,H45,no,N,29,,21101,bmse001143,BMET001143
30,covalent,SING,O29,C11,no,N,30,,21101,bmse001143,BMET001143
31,covalent,SING,O29,H44,no,N,31,,21101,bmse001143,BMET001143
32,covalent,SING,O74,H50,no,N,32,,21101,bmse001143,BMET001143
33,covalent,SING,O74,H48,no,N,33,,21101,bmse001143,BMET001143
34,covalent,SING,O77,H49,no,N,34,,21101,bmse001143,BMET001143
35,covalent,SING,O77,H47,no,N,35,,21101,bmse001143,BMET001143
36,covalent,SING,O80,H46,no,N,36,,21101,bmse001143,BMET001143
37,covalent,SING,O80,H51,no,N,37,,21101,bmse001143,BMET001143
38,covalent,SING,C15,C18,no,N,38,,21101,bmse001143,BMET001143
39,covalent,SING,C15,C7,no,N,39,,21101,bmse001143,BMET001143
40,covalent,SING,C15,H69,no,N,40,,21101,bmse001143,BMET001143
41,covalent,SING,C18,C21,no,N,41,,21101,bmse001143,BMET001143
42,covalent,SING,C18,H71,no,N,42,,21101,bmse001143,BMET001143
43,covalent,SING,C21,C23,no,N,43,,21101,bmse001143,BMET001143
44,covalent,SING,C21,H73,no,N,44,,21101,bmse001143,BMET001143
45,covalent,SING,C23,C27,no,N,45,,21101,bmse001143,BMET001143
46,covalent,SING,C23,H72,no,N,46,,21101,bmse001143,BMET001143
47,covalent,SING,C22,C26,no,N,47,,21101,bmse001143,BMET001143
48,covalent,SING,C22,C20,no,N,48,,21101,bmse001143,BMET001143
49,covalent,SING,C22,H70,no,N,49,,21101,bmse001143,BMET001143
50,covalent,SING,C26,H68,no,N,50,,21101,bmse001143,BMET001143
51,covalent,SING,C20,C17,no,N,51,,21101,bmse001143,BMET001143
52,covalent,SING,C20,H67,no,N,52,,21101,bmse001143,BMET001143
53,covalent,SING,C17,C8,no,N,53,,21101,bmse001143,BMET001143
54,covalent,SING,C17,H64,no,N,54,,21101,bmse001143,BMET001143
55,covalent,SING,C27,H66,no,N,55,,21101,bmse001143,BMET001143
56,covalent,SING,C7,H65,no,N,56,,21101,bmse001143,BMET001143
57,covalent,SING,C7,H75,no,N,57,,21101,bmse001143,BMET001143
58,covalent,SING,C8,C1,no,N,58,,21101,bmse001143,BMET001143
59,covalent,SING,C8,H76,no,N,59,,21101,bmse001143,BMET001143
60,covalent,SING,C1,H78,no,N,60,,21101,bmse001143,BMET001143
61,covalent,SING,C1,H79,no,N,61,,21101,bmse001143,BMET001143
62,covalent,SING,C1,H81,no,N,62,,21101,bmse001143,BMET001143
63,covalent,AROM,C25,C24,yes,N,63,,21101,bmse001143,BMET001143
64,covalent,AROM,C25,C19,yes,N,64,,21101,bmse001143,BMET001143
65,covalent,SING,C24,C9,no,N,65,,21101,bmse001143,BMET001143
66,covalent,AROM,C19,C16,yes,N,66,,21101,bmse001143,BMET001143
67,covalent,AROM,C16,C14,yes,N,67,,21101,bmse001143,BMET001143
68,covalent,AROM,C16,C13,yes,N,68,,21101,bmse001143,BMET001143
69,covalent,AROM,C9,C4,yes,N,69,,21101,bmse001143,BMET001143
70,covalent,AROM,C9,C2,yes,N,70,,21101,bmse001143,BMET001143
71,covalent,AROM,C14,C6,yes,N,71,,21101,bmse001143,BMET001143
72,covalent,AROM,C13,C5,yes,N,72,,21101,bmse001143,BMET001143
73,covalent,AROM,C6,C10,yes,N,73,,21101,bmse001143,BMET001143
74,covalent,SING,C6,H62,no,N,74,,21101,bmse001143,BMET001143
75,covalent,AROM,C4,C12,yes,N,75,,21101,bmse001143,BMET001143
76,covalent,SING,C4,H58,no,N,76,,21101,bmse001143,BMET001143
77,covalent,AROM,C2,C3,yes,N,77,,21101,bmse001143,BMET001143
78,covalent,SING,C2,H56,no,N,78,,21101,bmse001143,BMET001143
79,covalent,AROM,C5,C10,yes,N,79,,21101,bmse001143,BMET001143
80,covalent,SING,C5,H63,no,N,80,,21101,bmse001143,BMET001143
81,covalent,AROM,C12,C11,yes,N,81,,21101,bmse001143,BMET001143
82,covalent,AROM,C3,C11,yes,N,82,,21101,bmse001143,BMET001143
83,covalent,SING,C3,H52,no,N,83,,21101,bmse001143,BMET001143
1,ester,SING,O10,C6,no,N,1,,21122,bmse001144,BMET001144
2,covalent,SING,O10,H15,no,N,2,,21122,bmse001144,BMET001144
3,carbonyl,DOUB,O11,C6,no,N,3,,21122,bmse001144,BMET001144
4,covalent,AROM,N9,C4,yes,N,4,,21122,bmse001144,BMET001144
5,covalent,AROM,N9,C3,yes,N,5,,21122,bmse001144,BMET001144
6,covalent,SING,N9,H18,no,N,6,,21122,bmse001144,BMET001144
7,covalent,SING,C5,N7,no,N,7,,21122,bmse001144,BMET001144
8,covalent,SING,N7,H13,no,N,8,,21122,bmse001144,BMET001144
9,covalent,SING,N7,H16,no,N,9,,21122,bmse001144,BMET001144
10,covalent,AROM,N8,C2,yes,N,10,,21122,bmse001144,BMET001144
11,covalent,AROM,N8,C3,yes,N,11,,21122,bmse001144,BMET001144
12,covalent,SING,C1,C5,no,N,12,,21122,bmse001144,BMET001144
13,covalent,SING,C1,C4,no,N,13,,21122,bmse001144,BMET001144
14,covalent,SING,C1,H20,no,N,14,,21122,bmse001144,BMET001144
15,covalent,SING,C1,H19,no,N,15,,21122,bmse001144,BMET001144
16,covalent,SING,C5,C6,no,N,16,,21122,bmse001144,BMET001144
17,covalent,SING,C5,H17,no,N,17,,21122,bmse001144,BMET001144
18,covalent,AROM,C4,C2,yes,N,18,,21122,bmse001144,BMET001144
19,covalent,SING,C2,H12,no,N,19,,21122,bmse001144,BMET001144
20,covalent,SING,C3,H14,no,N,20,,21122,bmse001144,BMET001144
1,ester,SING,O19,C18,no,N,1,,21143,bmse001145,BMET001145
2,covalent,SING,O19,H37,no,N,2,,21143,bmse001145,BMET001145
3,carbonyl,DOUB,O20,C18,no,N,3,,21143,bmse001145,BMET001145
4,covalent,SING,C4,C3,no,N,4,,21143,bmse001145,BMET001145
5,covalent,SING,C4,C5,no,N,5,,21143,bmse001145,BMET001145
6,covalent,SING,C4,H50,no,N,6,,21143,bmse001145,BMET001145
7,covalent,SING,C4,H28,no,N,7,,21143,bmse001145,BMET001145
8,covalent,SING,C3,C2,no,N,8,,21143,bmse001145,BMET001145
9,covalent,SING,C3,H29,no,N,9,,21143,bmse001145,BMET001145
10,covalent,SING,C3,H26,no,N,10,,21143,bmse001145,BMET001145
11,covalent,SING,C5,C6,no,N,11,,21143,bmse001145,BMET001145
12,covalent,SING,C5,H27,no,N,12,,21143,bmse001145,BMET001145
13,covalent,SING,C5,H30,no,N,13,,21143,bmse001145,BMET001145
14,covalent,SING,C15,C16,no,N,14,,21143,bmse001145,BMET001145
15,covalent,SING,C15,C14,no,N,15,,21143,bmse001145,BMET001145
16,covalent,SING,C15,H31,no,N,16,,21143,bmse001145,BMET001145
17,covalent,SING,C15,H44,no,N,17,,21143,bmse001145,BMET001145
18,covalent,SING,C2,C1,no,N,18,,21143,bmse001145,BMET001145
19,covalent,SING,C2,H45,no,N,19,,21143,bmse001145,BMET001145
20,covalent,SING,C2,H24,no,N,20,,21143,bmse001145,BMET001145
21,covalent,SING,C16,C17,no,N,21,,21143,bmse001145,BMET001145
22,covalent,SING,C16,H25,no,N,22,,21143,bmse001145,BMET001145
23,covalent,SING,C16,H46,no,N,23,,21143,bmse001145,BMET001145
24,covalent,SING,C14,C13,no,N,24,,21143,bmse001145,BMET001145
25,covalent,SING,C14,H47,no,N,25,,21143,bmse001145,BMET001145
26,covalent,SING,C14,H42,no,N,26,,21143,bmse001145,BMET001145
27,covalent,SING,C17,C18,no,N,27,,21143,bmse001145,BMET001145
28,covalent,SING,C17,H43,no,N,28,,21143,bmse001145,BMET001145
29,covalent,SING,C17,H48,no,N,29,,21143,bmse001145,BMET001145
30,covalent,DOUB,C6,C7,no,Z,30,,21143,bmse001145,BMET001145
31,covalent,SING,C6,H49,no,N,31,,21143,bmse001145,BMET001145
32,covalent,SING,C1,H32,no,N,32,,21143,bmse001145,BMET001145
33,covalent,SING,C1,H23,no,N,33,,21143,bmse001145,BMET001145
34,covalent,SING,C1,H22,no,N,34,,21143,bmse001145,BMET001145
35,covalent,DOUB,C13,C12,no,Z,35,,21143,bmse001145,BMET001145
36,covalent,SING,C13,H21,no,N,36,,21143,bmse001145,BMET001145
37,covalent,SING,C7,C8,no,N,37,,21143,bmse001145,BMET001145
38,covalent,SING,C7,H41,no,N,38,,21143,bmse001145,BMET001145
39,covalent,SING,C8,C9,no,N,39,,21143,bmse001145,BMET001145
40,covalent,SING,C8,H33,no,N,40,,21143,bmse001145,BMET001145
41,covalent,SING,C8,H34,no,N,41,,21143,bmse001145,BMET001145
42,covalent,SING,C12,C11,no,N,42,,21143,bmse001145,BMET001145
43,covalent,SING,C12,H35,no,N,43,,21143,bmse001145,BMET001145
44,covalent,SING,C11,C10,no,N,44,,21143,bmse001145,BMET001145
45,covalent,SING,C11,H40,no,N,45,,21143,bmse001145,BMET001145
46,covalent,SING,C11,H38,no,N,46,,21143,bmse001145,BMET001145
47,covalent,DOUB,C9,C10,no,Z,47,,21143,bmse001145,BMET001145
48,covalent,SING,C9,H39,no,N,48,,21143,bmse001145,BMET001145
49,covalent,SING,C10,H36,no,N,49,,21143,bmse001145,BMET001145
1,ester,SING,O21,C20,no,N,1,,21164,bmse001146,BMET001146
2,covalent,SING,O21,H25,no,N,2,,21164,bmse001146,BMET001146
3,carbonyl,DOUB,O22,C20,no,N,3,,21164,bmse001146,BMET001146
4,covalent,SING,C18,C17,no,N,4,,21164,bmse001146,BMET001146
5,covalent,SING,C18,C19,no,N,5,,21164,bmse001146,BMET001146
6,covalent,SING,C18,H52,no,N,6,,21164,bmse001146,BMET001146
7,covalent,SING,C18,H48,no,N,7,,21164,bmse001146,BMET001146
8,covalent,SING,C17,C16,no,N,8,,21164,bmse001146,BMET001146
9,covalent,SING,C17,H49,no,N,9,,21164,bmse001146,BMET001146
10,covalent,SING,C17,H46,no,N,10,,21164,bmse001146,BMET001146
11,covalent,SING,C19,C20,no,N,11,,21164,bmse001146,BMET001146
12,covalent,SING,C19,H47,no,N,12,,21164,bmse001146,BMET001146
13,covalent,SING,C19,H50,no,N,13,,21164,bmse001146,BMET001146
14,covalent,DOUB,C16,C15,no,Z,14,,21164,bmse001146,BMET001146
15,covalent,SING,C16,H51,no,N,15,,21164,bmse001146,BMET001146
16,covalent,SING,C14,C15,no,N,16,,21164,bmse001146,BMET001146
17,covalent,SING,C14,C13,no,N,17,,21164,bmse001146,BMET001146
18,covalent,SING,C14,H45,no,N,18,,21164,bmse001146,BMET001146
19,covalent,SING,C14,H42,no,N,19,,21164,bmse001146,BMET001146
20,covalent,SING,C15,H43,no,N,20,,21164,bmse001146,BMET001146
21,covalent,DOUB,C13,C12,no,Z,21,,21164,bmse001146,BMET001146
22,covalent,SING,C13,H44,no,N,22,,21164,bmse001146,BMET001146
23,covalent,SING,C11,C12,no,N,23,,21164,bmse001146,BMET001146
24,covalent,SING,C11,C10,no,N,24,,21164,bmse001146,BMET001146
25,covalent,SING,C11,H41,no,N,25,,21164,bmse001146,BMET001146
26,covalent,SING,C11,H38,no,N,26,,21164,bmse001146,BMET001146
27,covalent,SING,C12,H39,no,N,27,,21164,bmse001146,BMET001146
28,covalent,SING,C8,C9,no,N,28,,21164,bmse001146,BMET001146
29,covalent,SING,C8,C7,no,N,29,,21164,bmse001146,BMET001146
30,covalent,SING,C8,H40,no,N,30,,21164,bmse001146,BMET001146
31,covalent,SING,C8,H34,no,N,31,,21164,bmse001146,BMET001146
32,covalent,DOUB,C10,C9,no,Z,32,,21164,bmse001146,BMET001146
33,covalent,SING,C10,H35,no,N,33,,21164,bmse001146,BMET001146
34,covalent,SING,C5,C6,no,N,34,,21164,bmse001146,BMET001146
35,covalent,SING,C5,C4,no,N,35,,21164,bmse001146,BMET001146
36,covalent,SING,C5,H37,no,N,36,,21164,bmse001146,BMET001146
37,covalent,SING,C5,H30,no,N,37,,21164,bmse001146,BMET001146
38,covalent,SING,C9,H31,no,N,38,,21164,bmse001146,BMET001146
39,covalent,DOUB,C7,C6,no,Z,39,,21164,bmse001146,BMET001146
40,covalent,SING,C7,H36,no,N,40,,21164,bmse001146,BMET001146
41,covalent,SING,C6,H33,no,N,41,,21164,bmse001146,BMET001146
42,covalent,DOUB,C4,C3,no,Z,42,,21164,bmse001146,BMET001146
43,covalent,SING,C4,H32,no,N,43,,21164,bmse001146,BMET001146
44,covalent,SING,C2,C3,no,N,44,,21164,bmse001146,BMET001146
45,covalent,SING,C2,C1,no,N,45,,21164,bmse001146,BMET001146
46,covalent,SING,C2,H29,no,N,46,,21164,bmse001146,BMET001146
47,covalent,SING,C2,H26,no,N,47,,21164,bmse001146,BMET001146
48,covalent,SING,C3,H27,no,N,48,,21164,bmse001146,BMET001146
49,covalent,SING,C1,H28,no,N,49,,21164,bmse001146,BMET001146
50,covalent,SING,C1,H23,no,N,50,,21164,bmse001146,BMET001146
51,covalent,SING,C1,H24,no,N,51,,21164,bmse001146,BMET001146
1,covalent,SING,O21,C15,no,N,1,,21185,bmse001147,BMET001147
2,covalent,SING,O21,C14,no,N,2,,21185,bmse001147,BMET001147
3,covalent,SING,C13,O20,no,N,3,,21185,bmse001147,BMET001147
4,covalent,SING,O20,H30,no,N,4,,21185,bmse001147,BMET001147
5,covalent,SING,O18,C11,no,N,5,,21185,bmse001147,BMET001147
6,covalent,SING,O18,H24,no,N,6,,21185,bmse001147,BMET001147
7,covalent,SING,O16,C8,no,N,7,,21185,bmse001147,BMET001147
8,covalent,SING,O16,H22,no,N,8,,21185,bmse001147,BMET001147
9,covalent,SING,O19,C12,no,N,9,,21185,bmse001147,BMET001147
10,covalent,SING,O19,H25,no,N,10,,21185,bmse001147,BMET001147
11,covalent,SING,O17,C10,no,N,11,,21185,bmse001147,BMET001147
12,covalent,SING,O17,H23,no,N,12,,21185,bmse001147,BMET001147
13,covalent,SING,C13,C15,no,N,13,,21185,bmse001147,BMET001147
14,covalent,SING,C13,C6,no,N,14,,21185,bmse001147,BMET001147
15,covalent,SING,C13,H35,no,N,15,,21185,bmse001147,BMET001147
16,covalent,SING,C15,C7,no,N,16,,21185,bmse001147,BMET001147
17,covalent,SING,C15,H33,no,N,17,,21185,bmse001147,BMET001147
18,covalent,SING,C6,C9,no,N,18,,21185,bmse001147,BMET001147
19,covalent,SING,C6,H31,no,N,19,,21185,bmse001147,BMET001147
20,covalent,SING,C6,H34,no,N,20,,21185,bmse001147,BMET001147
21,covalent,AROM,C9,C14,yes,N,21,,21185,bmse001147,BMET001147
22,covalent,AROM,C9,C11,yes,N,22,,21185,bmse001147,BMET001147
23,covalent,AROM,C14,C5,yes,N,23,,21185,bmse001147,BMET001147
24,covalent,AROM,C7,C3,yes,N,24,,21185,bmse001147,BMET001147
25,covalent,AROM,C7,C1,yes,N,25,,21185,bmse001147,BMET001147
26,covalent,AROM,C11,C4,yes,N,26,,21185,bmse001147,BMET001147
27,covalent,AROM,C5,C8,yes,N,27,,21185,bmse001147,BMET001147
28,covalent,SING,C5,H32,no,N,28,,21185,bmse001147,BMET001147
29,covalent,AROM,C3,C12,yes,N,29,,21185,bmse001147,BMET001147
30,covalent,SING,C3,H29,no,N,30,,21185,bmse001147,BMET001147
31,covalent,AROM,C1,C2,yes,N,31,,21185,bmse001147,BMET001147
32,covalent,SING,C1,H27,no,N,32,,21185,bmse001147,BMET001147
33,covalent,AROM,C4,C8,yes,N,33,,21185,bmse001147,BMET001147
34,covalent,SING,C4,H28,no,N,34,,21185,bmse001147,BMET001147
35,covalent,AROM,C12,C10,yes,N,35,,21185,bmse001147,BMET001147
36,covalent,AROM,C2,C10,yes,N,36,,21185,bmse001147,BMET001147
37,covalent,SING,C2,H26,no,N,37,,21185,bmse001147,BMET001147
1,carbonyl,DOUB,O9,C8,no,N,1,,21206,bmse001148,BMET001148
2,covalent,SING,C4,C6,no,N,2,,21206,bmse001148,BMET001148
3,covalent,SING,C4,C5,no,N,3,,21206,bmse001148,BMET001148
4,covalent,SING,C4,H19,no,N,4,,21206,bmse001148,BMET001148
5,covalent,SING,C4,H20,no,N,5,,21206,bmse001148,BMET001148
6,covalent,SING,C6,C8,no,N,6,,21206,bmse001148,BMET001148
7,covalent,SING,C6,H22,no,N,7,,21206,bmse001148,BMET001148
8,covalent,SING,C6,H23,no,N,8,,21206,bmse001148,BMET001148
9,covalent,DOUB,C5,C7,no,N,9,,21206,bmse001148,BMET001148
10,covalent,SING,C5,H21,no,N,10,,21206,bmse001148,BMET001148
11,covalent,SING,C7,C1,no,N,11,,21206,bmse001148,BMET001148
12,covalent,SING,C7,C2,no,N,12,,21206,bmse001148,BMET001148
13,covalent,SING,C8,C3,no,N,13,,21206,bmse001148,BMET001148
14,covalent,SING,C1,H12,no,N,14,,21206,bmse001148,BMET001148
15,covalent,SING,C1,H11,no,N,15,,21206,bmse001148,BMET001148
16,covalent,SING,C1,H10,no,N,16,,21206,bmse001148,BMET001148
17,covalent,SING,C2,H14,no,N,17,,21206,bmse001148,BMET001148
18,covalent,SING,C2,H13,no,N,18,,21206,bmse001148,BMET001148
19,covalent,SING,C2,H15,no,N,19,,21206,bmse001148,BMET001148
20,covalent,SING,C3,H17,no,N,20,,21206,bmse001148,BMET001148
21,covalent,SING,C3,H16,no,N,21,,21206,bmse001148,BMET001148
22,covalent,SING,C3,H18,no,N,22,,21206,bmse001148,BMET001148
1,covalent,SING,C21,O22,no,N,1,,21227,bmse001149,BMET001149
2,covalent,SING,O22,H32,no,N,2,,21227,bmse001149,BMET001149
3,covalent,SING,O23,C15,no,N,3,,21227,bmse001149,BMET001149
4,covalent,SING,O23,C3,no,N,4,,21227,bmse001149,BMET001149
5,covalent,SING,C20,C19,no,N,5,,21227,bmse001149,BMET001149
6,covalent,SING,C20,C21,no,N,6,,21227,bmse001149,BMET001149
7,covalent,SING,C20,C11,no,N,7,,21227,bmse001149,BMET001149
8,covalent,SING,C20,C2,no,N,8,,21227,bmse001149,BMET001149
9,covalent,SING,C19,C18,no,N,9,,21227,bmse001149,BMET001149
10,covalent,SING,C19,C10,no,N,10,,21227,bmse001149,BMET001149
11,covalent,SING,C19,H49,no,N,11,,21227,bmse001149,BMET001149
12,covalent,SING,C18,C17,no,N,12,,21227,bmse001149,BMET001149
13,covalent,SING,C18,C7,no,N,13,,21227,bmse001149,BMET001149
14,covalent,SING,C18,H48,no,N,14,,21227,bmse001149,BMET001149
15,covalent,SING,C21,C12,no,N,15,,21227,bmse001149,BMET001149
16,covalent,SING,C21,C4,no,N,16,,21227,bmse001149,BMET001149
17,covalent,SING,C17,C9,no,N,17,,21227,bmse001149,BMET001149
18,covalent,SING,C17,C16,no,N,18,,21227,bmse001149,BMET001149
19,covalent,SING,C17,H47,no,N,19,,21227,bmse001149,BMET001149
20,covalent,SING,C11,C9,no,N,20,,21227,bmse001149,BMET001149
21,covalent,SING,C11,H46,no,N,21,,21227,bmse001149,BMET001149
22,covalent,SING,C11,H41,no,N,22,,21227,bmse001149,BMET001149
23,covalent,SING,C10,C12,no,N,23,,21227,bmse001149,BMET001149
24,covalent,SING,C10,H42,no,N,24,,21227,bmse001149,BMET001149
25,covalent,SING,C10,H39,no,N,25,,21227,bmse001149,BMET001149
26,covalent,SING,C9,H40,no,N,26,,21227,bmse001149,BMET001149
27,covalent,SING,C9,H37,no,N,27,,21227,bmse001149,BMET001149
28,covalent,SING,C12,H38,no,N,28,,21227,bmse001149,BMET001149
29,covalent,SING,C12,H43,no,N,29,,21227,bmse001149,BMET001149
30,covalent,SING,C7,C5,no,N,30,,21227,bmse001149,BMET001149
31,covalent,SING,C7,H44,no,N,31,,21227,bmse001149,BMET001149
32,covalent,SING,C7,H34,no,N,32,,21227,bmse001149,BMET001149
33,covalent,SING,C2,H35,no,N,33,,21227,bmse001149,BMET001149
34,covalent,SING,C2,H26,no,N,34,,21227,bmse001149,BMET001149
35,covalent,SING,C2,H25,no,N,35,,21227,bmse001149,BMET001149
36,covalent,AROM,C16,C14,yes,N,36,,21227,bmse001149,BMET001149
37,covalent,AROM,C16,C8,yes,N,37,,21227,bmse001149,BMET001149
38,covalent,SING,C5,C14,no,N,38,,21227,bmse001149,BMET001149
39,covalent,SING,C5,H27,no,N,39,,21227,bmse001149,BMET001149
40,covalent,SING,C5,H31,no,N,40,,21227,bmse001149,BMET001149
41,covalent,AROM,C14,C13,yes,N,41,,21227,bmse001149,BMET001149
42,covalent,TRIP,C4,C1,no,N,42,,21227,bmse001149,BMET001149
43,covalent,AROM,C8,C6,yes,N,43,,21227,bmse001149,BMET001149
44,covalent,SING,C8,H36,no,N,44,,21227,bmse001149,BMET001149
45,covalent,AROM,C13,C15,yes,N,45,,21227,bmse001149,BMET001149
46,covalent,SING,C13,H45,no,N,46,,21227,bmse001149,BMET001149
47,covalent,AROM,C6,C15,yes,N,47,,21227,bmse001149,BMET001149
48,covalent,SING,C6,H33,no,N,48,,21227,bmse001149,BMET001149
49,covalent,SING,C1,H24,no,N,49,,21227,bmse001149,BMET001149
50,covalent,SING,C3,H28,no,N,50,,21227,bmse001149,BMET001149
51,covalent,SING,C3,H30,no,N,51,,21227,bmse001149,BMET001149
52,covalent,SING,C3,H29,no,N,52,,21227,bmse001149,BMET001149
1,covalent,SING,O7,N5,no,N,1,,21248,bmse001150,BMET001150
2,covalent,SING,O7,C1,no,N,2,,21248,bmse001150,BMET001150
3,carbonyl,DOUB,O6,C3,no,N,3,,21248,bmse001150,BMET001150
4,amide,SING,N5,C3,no,N,4,,21248,bmse001150,BMET001150
5,covalent,SING,N5,H10,no,N,5,,21248,bmse001150,BMET001150
6,covalent,SING,C2,N4,no,N,6,,21248,bmse001150,BMET001150
7,covalent,SING,N4,H8,no,N,7,,21248,bmse001150,BMET001150
8,covalent,SING,N4,H9,no,N,8,,21248,bmse001150,BMET001150
9,covalent,SING,C2,C1,no,N,9,,21248,bmse001150,BMET001150
10,covalent,SING,C2,C3,no,N,10,,21248,bmse001150,BMET001150
11,covalent,SING,C2,H13,no,N,11,,21248,bmse001150,BMET001150
12,covalent,SING,C1,H11,no,N,12,,21248,bmse001150,BMET001150
13,covalent,SING,C1,H12,no,N,13,,21248,bmse001150,BMET001150
1,covalent,SING,S3,S4,no,N,1,,21267,bmse001151,BMET001151
2,covalent,SING,S3,C1,no,N,2,,21267,bmse001151,BMET001151
3,covalent,SING,S4,C2,no,N,3,,21267,bmse001151,BMET001151
4,covalent,SING,C1,H5,no,N,4,,21267,bmse001151,BMET001151
5,covalent,SING,C1,H6,no,N,5,,21267,bmse001151,BMET001151
6,covalent,SING,C1,H7,no,N,6,,21267,bmse001151,BMET001151
7,covalent,SING,C2,H9,no,N,7,,21267,bmse001151,BMET001151
8,covalent,SING,C2,H8,no,N,8,,21267,bmse001151,BMET001151
9,covalent,SING,C2,H10,no,N,9,,21267,bmse001151,BMET001151
1,covalent,SING,S3,S5,no,N,1,,21285,bmse001152,BMET001152
2,covalent,SING,S3,C1,no,N,2,,21285,bmse001152,BMET001152
3,covalent,SING,S4,S5,no,N,3,,21285,bmse001152,BMET001152
4,covalent,SING,S4,C2,no,N,4,,21285,bmse001152,BMET001152
5,covalent,SING,C1,H7,no,N,5,,21285,bmse001152,BMET001152
6,covalent,SING,C1,H6,no,N,6,,21285,bmse001152,BMET001152
7,covalent,SING,C1,H8,no,N,7,,21285,bmse001152,BMET001152
8,covalent,SING,C2,H11,no,N,8,,21285,bmse001152,BMET001152
9,covalent,SING,C2,H10,no,N,9,,21285,bmse001152,BMET001152
10,covalent,SING,C2,H9,no,N,10,,21285,bmse001152,BMET001152
1,carbonyl,DOUB,O22,C16,no,N,1,,21305,bmse001153,BMET001153
2,covalent,SING,N20,C18,no,N,2,,21305,bmse001153,BMET001153
3,covalent,SING,N20,C10,no,N,3,,21305,bmse001153,BMET001153
4,covalent,SING,N20,C11,no,N,4,,21305,bmse001153,BMET001153
5,covalent,AROM,N21,C17,yes,N,5,,21305,bmse001153,BMET001153
6,amide,SING,N21,C16,no,N,6,,21305,bmse001153,BMET001153
7,covalent,AROM,N21,C15,yes,N,7,,21305,bmse001153,BMET001153
8,covalent,SING,C19,C18,no,N,8,,21305,bmse001153,BMET001153
9,covalent,SING,C19,C9,no,N,9,,21305,bmse001153,BMET001153
10,covalent,SING,C19,C12,no,N,10,,21305,bmse001153,BMET001153
11,covalent,SING,C19,C2,no,N,11,,21305,bmse001153,BMET001153
12,covalent,SING,C18,C17,no,N,12,,21305,bmse001153,BMET001153
13,covalent,SING,C18,H44,no,N,13,,21305,bmse001153,BMET001153
14,covalent,SING,C9,C5,no,N,14,,21305,bmse001153,BMET001153
15,covalent,SING,C9,H36,no,N,15,,21305,bmse001153,BMET001153
16,covalent,SING,C9,H37,no,N,16,,21305,bmse001153,BMET001153
17,covalent,AROM,C17,C14,yes,N,17,,21305,bmse001153,BMET001153
18,covalent,SING,C12,C16,no,N,18,,21305,bmse001153,BMET001153
19,covalent,SING,C12,H42,no,N,19,,21305,bmse001153,BMET001153
20,covalent,SING,C12,H43,no,N,20,,21305,bmse001153,BMET001153
21,covalent,SING,C2,C1,no,N,21,,21305,bmse001153,BMET001153
22,covalent,SING,C2,H26,no,N,22,,21305,bmse001153,BMET001153
23,covalent,SING,C2,H27,no,N,23,,21305,bmse001153,BMET001153
24,covalent,SING,C5,C10,no,N,24,,21305,bmse001153,BMET001153
25,covalent,SING,C5,H30,no,N,25,,21305,bmse001153,BMET001153
26,covalent,SING,C5,H31,no,N,26,,21305,bmse001153,BMET001153
27,covalent,SING,C10,H38,no,N,27,,21305,bmse001153,BMET001153
28,covalent,SING,C10,H39,no,N,28,,21305,bmse001153,BMET001153
29,covalent,SING,C11,C8,no,N,29,,21305,bmse001153,BMET001153
30,covalent,SING,C11,H40,no,N,30,,21305,bmse001153,BMET001153
31,covalent,SING,C11,H41,no,N,31,,21305,bmse001153,BMET001153
32,covalent,SING,C14,C8,no,N,32,,21305,bmse001153,BMET001153
33,covalent,AROM,C14,C13,yes,N,33,,21305,bmse001153,BMET001153
34,covalent,SING,C8,H34,no,N,34,,21305,bmse001153,BMET001153
35,covalent,SING,C8,H35,no,N,35,,21305,bmse001153,BMET001153
36,covalent,AROM,C13,C15,yes,N,36,,21305,bmse001153,BMET001153
37,covalent,AROM,C13,C6,yes,N,37,,21305,bmse001153,BMET001153
38,covalent,AROM,C15,C7,yes,N,38,,21305,bmse001153,BMET001153
39,covalent,SING,C1,H24,no,N,39,,21305,bmse001153,BMET001153
40,covalent,SING,C1,H23,no,N,40,,21305,bmse001153,BMET001153
41,covalent,SING,C1,H25,no,N,41,,21305,bmse001153,BMET001153
42,covalent,AROM,C6,C3,yes,N,42,,21305,bmse001153,BMET001153
43,covalent,SING,C6,H32,no,N,43,,21305,bmse001153,BMET001153
44,covalent,AROM,C7,C4,yes,N,44,,21305,bmse001153,BMET001153
45,covalent,SING,C7,H33,no,N,45,,21305,bmse001153,BMET001153
46,covalent,AROM,C3,C4,yes,N,46,,21305,bmse001153,BMET001153
47,covalent,SING,C3,H28,no,N,47,,21305,bmse001153,BMET001153
48,covalent,SING,C4,H29,no,N,48,,21305,bmse001153,BMET001153
1,covalent,SING,O11,C10,no,N,1,,21326,bmse001154,BMET001154
2,covalent,SING,O11,H20,no,N,2,,21326,bmse001154,BMET001154
3,covalent,SING,C7,C9,no,N,3,,21326,bmse001154,BMET001154
4,covalent,SING,C7,C1,no,N,4,,21326,bmse001154,BMET001154
5,covalent,SING,C7,C2,no,N,5,,21326,bmse001154,BMET001154
6,covalent,SING,C7,H25,no,N,6,,21326,bmse001154,BMET001154
7,covalent,AROM,C9,C6,yes,N,7,,21326,bmse001154,BMET001154
8,covalent,AROM,C9,C5,yes,N,8,,21326,bmse001154,BMET001154
9,covalent,SING,C1,H24,no,N,9,,21326,bmse001154,BMET001154
10,covalent,SING,C1,H14,no,N,10,,21326,bmse001154,BMET001154
11,covalent,SING,C1,H13,no,N,11,,21326,bmse001154,BMET001154
12,covalent,SING,C2,H12,no,N,12,,21326,bmse001154,BMET001154
13,covalent,SING,C2,H15,no,N,13,,21326,bmse001154,BMET001154
14,covalent,SING,C2,H17,no,N,14,,21326,bmse001154,BMET001154
15,covalent,AROM,C6,C10,yes,N,15,,21326,bmse001154,BMET001154
16,covalent,SING,C6,H16,no,N,16,,21326,bmse001154,BMET001154
17,covalent,AROM,C5,C4,yes,N,17,,21326,bmse001154,BMET001154
18,covalent,SING,C5,H23,no,N,18,,21326,bmse001154,BMET001154
19,covalent,AROM,C8,C10,yes,N,19,,21326,bmse001154,BMET001154
20,covalent,AROM,C8,C4,yes,N,20,,21326,bmse001154,BMET001154
21,covalent,SING,C8,C3,no,N,21,,21326,bmse001154,BMET001154
22,covalent,SING,C4,H22,no,N,22,,21326,bmse001154,BMET001154
23,covalent,SING,C3,H21,no,N,23,,21326,bmse001154,BMET001154
24,covalent,SING,C3,H19,no,N,24,,21326,bmse001154,BMET001154
25,covalent,SING,C3,H18,no,N,25,,21326,bmse001154,BMET001154
1,covalent,SING,O11,C8,no,N,1,,21347,bmse001155,BMET001155
2,covalent,SING,O11,H23,no,N,2,,21347,bmse001155,BMET001155
3,covalent,SING,C10,C6,no,N,3,,21347,bmse001155,BMET001155
4,covalent,SING,C10,C7,no,N,4,,21347,bmse001155,BMET001155
5,covalent,SING,C10,C3,no,N,5,,21347,bmse001155,BMET001155
6,covalent,SING,C10,H31,no,N,6,,21347,bmse001155,BMET001155
7,covalent,SING,C6,C4,no,N,7,,21347,bmse001155,BMET001155
8,covalent,SING,C6,H30,no,N,8,,21347,bmse001155,BMET001155
9,covalent,SING,C6,H24,no,N,9,,21347,bmse001155,BMET001155
10,covalent,SING,C7,C8,no,N,10,,21347,bmse001155,BMET001155
11,covalent,SING,C7,H25,no,N,11,,21347,bmse001155,BMET001155
12,covalent,SING,C7,H26,no,N,12,,21347,bmse001155,BMET001155
13,covalent,SING,C4,C5,no,N,13,,21347,bmse001155,BMET001155
14,covalent,SING,C4,H27,no,N,14,,21347,bmse001155,BMET001155
15,covalent,SING,C4,H21,no,N,15,,21347,bmse001155,BMET001155
16,covalent,SING,C3,H22,no,N,16,,21347,bmse001155,BMET001155
17,covalent,SING,C3,H18,no,N,17,,21347,bmse001155,BMET001155
18,covalent,SING,C3,H19,no,N,18,,21347,bmse001155,BMET001155
19,covalent,SING,C8,H20,no,N,19,,21347,bmse001155,BMET001155
20,covalent,SING,C8,H28,no,N,20,,21347,bmse001155,BMET001155
21,covalent,DOUB,C5,C9,no,N,21,,21347,bmse001155,BMET001155
22,covalent,SING,C5,H29,no,N,22,,21347,bmse001155,BMET001155
23,covalent,SING,C9,C1,no,N,23,,21347,bmse001155,BMET001155
24,covalent,SING,C9,C2,no,N,24,,21347,bmse001155,BMET001155
25,covalent,SING,C1,H12,no,N,25,,21347,bmse001155,BMET001155
26,covalent,SING,C1,H13,no,N,26,,21347,bmse001155,BMET001155
27,covalent,SING,C1,H14,no,N,27,,21347,bmse001155,BMET001155
28,covalent,SING,C2,H17,no,N,28,,21347,bmse001155,BMET001155
29,covalent,SING,C2,H15,no,N,29,,21347,bmse001155,BMET001155
30,covalent,SING,C2,H16,no,N,30,,21347,bmse001155,BMET001155
1,covalent,SING,O26,C20,no,N,1,,21368,bmse001156,BMET001156
2,covalent,SING,O26,C1,no,N,2,,21368,bmse001156,BMET001156
3,covalent,SING,O27,C21,no,N,3,,21368,bmse001156,BMET001156
4,covalent,SING,O27,C2,no,N,4,,21368,bmse001156,BMET001156
5,covalent,SING,O24,C18,no,N,5,,21368,bmse001156,BMET001156
6,covalent,SING,O24,H39,no,N,6,,21368,bmse001156,BMET001156
7,covalent,SING,O25,C19,no,N,7,,21368,bmse001156,BMET001156
8,covalent,SING,O25,H38,no,N,8,,21368,bmse001156,BMET001156
9,carbonyl,DOUB,O22,C16,no,N,9,,21368,bmse001156,BMET001156
10,carbonyl,DOUB,O23,C17,no,N,10,,21368,bmse001156,BMET001156
11,covalent,AROM,C14,C11,yes,N,11,,21368,bmse001156,BMET001156
12,covalent,AROM,C14,C5,yes,N,12,,21368,bmse001156,BMET001156
13,covalent,SING,C14,C3,no,N,13,,21368,bmse001156,BMET001156
14,covalent,AROM,C15,C12,yes,N,14,,21368,bmse001156,BMET001156
15,covalent,AROM,C15,C6,yes,N,15,,21368,bmse001156,BMET001156
16,covalent,SING,C15,C4,no,N,16,,21368,bmse001156,BMET001156
17,covalent,SING,C13,C16,no,N,17,,21368,bmse001156,BMET001156
18,covalent,SING,C13,C17,no,N,18,,21368,bmse001156,BMET001156
19,covalent,SING,C13,H46,no,N,19,,21368,bmse001156,BMET001156
20,covalent,SING,C13,H47,no,N,20,,21368,bmse001156,BMET001156
21,covalent,AROM,C11,C20,yes,N,21,,21368,bmse001156,BMET001156
22,covalent,SING,C11,H44,no,N,22,,21368,bmse001156,BMET001156
23,covalent,AROM,C12,C21,yes,N,23,,21368,bmse001156,BMET001156
24,covalent,SING,C12,H45,no,N,24,,21368,bmse001156,BMET001156
25,covalent,AROM,C20,C18,yes,N,25,,21368,bmse001156,BMET001156
26,covalent,AROM,C21,C19,yes,N,26,,21368,bmse001156,BMET001156
27,covalent,AROM,C5,C9,yes,N,27,,21368,bmse001156,BMET001156
28,covalent,SING,C5,H42,no,N,28,,21368,bmse001156,BMET001156
29,covalent,AROM,C6,C10,yes,N,29,,21368,bmse001156,BMET001156
30,covalent,SING,C6,H43,no,N,30,,21368,bmse001156,BMET001156
31,covalent,DOUB,C3,C7,no,UNK,31,,21368,bmse001156,BMET001156
32,covalent,SING,C3,H36,no,N,32,,21368,bmse001156,BMET001156
33,covalent,DOUB,C4,C8,no,UNK,33,,21368,bmse001156,BMET001156
34,covalent,SING,C4,H37,no,N,34,,21368,bmse001156,BMET001156
35,covalent,AROM,C18,C9,yes,N,35,,21368,bmse001156,BMET001156
36,covalent,AROM,C19,C10,yes,N,36,,21368,bmse001156,BMET001156
37,covalent,SING,C16,C7,no,N,37,,21368,bmse001156,BMET001156
38,covalent,SING,C17,C8,no,N,38,,21368,bmse001156,BMET001156
39,covalent,SING,C9,H34,no,N,39,,21368,bmse001156,BMET001156
40,covalent,SING,C10,H35,no,N,40,,21368,bmse001156,BMET001156
41,covalent,SING,C8,H41,no,N,41,,21368,bmse001156,BMET001156
42,covalent,SING,C7,H40,no,N,42,,21368,bmse001156,BMET001156
43,covalent,SING,C1,H32,no,N,43,,21368,bmse001156,BMET001156
44,covalent,SING,C1,H31,no,N,44,,21368,bmse001156,BMET001156
45,covalent,SING,C1,H33,no,N,45,,21368,bmse001156,BMET001156
46,covalent,SING,C2,H29,no,N,46,,21368,bmse001156,BMET001156
47,covalent,SING,C2,H28,no,N,47,,21368,bmse001156,BMET001156
48,covalent,SING,C2,H30,no,N,48,,21368,bmse001156,BMET001156
1,covalent,SING,O21,C17,no,N,1,,21389,bmse001157,BMET001157
2,covalent,SING,O21,H29,no,N,2,,21389,bmse001157,BMET001157
3,covalent,SING,O22,C18,no,N,3,,21389,bmse001157,BMET001157
4,covalent,SING,O22,H30,no,N,4,,21389,bmse001157,BMET001157
5,covalent,SING,O19,C15,no,N,5,,21389,bmse001157,BMET001157
6,covalent,SING,O19,H31,no,N,6,,21389,bmse001157,BMET001157
7,covalent,SING,O20,C16,no,N,7,,21389,bmse001157,BMET001157
8,covalent,SING,O20,H32,no,N,8,,21389,bmse001157,BMET001157
9,covalent,SING,C11,C12,no,N,9,,21389,bmse001157,BMET001157
10,covalent,SING,C11,C7,no,N,10,,21389,bmse001157,BMET001157
11,covalent,SING,C11,C1,no,N,11,,21389,bmse001157,BMET001157
12,covalent,SING,C11,H43,no,N,12,,21389,bmse001157,BMET001157
13,covalent,SING,C12,C8,no,N,13,,21389,bmse001157,BMET001157
14,covalent,SING,C12,C2,no,N,14,,21389,bmse001157,BMET001157
15,covalent,SING,C12,H44,no,N,15,,21389,bmse001157,BMET001157
16,covalent,SING,C7,C13,no,N,16,,21389,bmse001157,BMET001157
17,covalent,SING,C7,H41,no,N,17,,21389,bmse001157,BMET001157
18,covalent,SING,C7,H42,no,N,18,,21389,bmse001157,BMET001157
19,covalent,SING,C8,C14,no,N,19,,21389,bmse001157,BMET001157
20,covalent,SING,C8,H39,no,N,20,,21389,bmse001157,BMET001157
21,covalent,SING,C8,H40,no,N,21,,21389,bmse001157,BMET001157
22,covalent,SING,C1,H33,no,N,22,,21389,bmse001157,BMET001157
23,covalent,SING,C1,H34,no,N,23,,21389,bmse001157,BMET001157
24,covalent,SING,C1,H35,no,N,24,,21389,bmse001157,BMET001157
25,covalent,SING,C2,H36,no,N,25,,21389,bmse001157,BMET001157
26,covalent,SING,C2,H25,no,N,26,,21389,bmse001157,BMET001157
27,covalent,SING,C2,H23,no,N,27,,21389,bmse001157,BMET001157
28,covalent,AROM,C13,C9,yes,N,28,,21389,bmse001157,BMET001157
29,covalent,AROM,C13,C3,yes,N,29,,21389,bmse001157,BMET001157
30,covalent,AROM,C14,C10,yes,N,30,,21389,bmse001157,BMET001157
31,covalent,AROM,C14,C4,yes,N,31,,21389,bmse001157,BMET001157
32,covalent,AROM,C9,C17,yes,N,32,,21389,bmse001157,BMET001157
33,covalent,SING,C9,H24,no,N,33,,21389,bmse001157,BMET001157
34,covalent,AROM,C10,C18,yes,N,34,,21389,bmse001157,BMET001157
35,covalent,SING,C10,H26,no,N,35,,21389,bmse001157,BMET001157
36,covalent,AROM,C3,C5,yes,N,36,,21389,bmse001157,BMET001157
37,covalent,SING,C3,H28,no,N,37,,21389,bmse001157,BMET001157
38,covalent,AROM,C4,C6,yes,N,38,,21389,bmse001157,BMET001157
39,covalent,SING,C4,H27,no,N,39,,21389,bmse001157,BMET001157
40,covalent,AROM,C17,C15,yes,N,40,,21389,bmse001157,BMET001157
41,covalent,AROM,C18,C16,yes,N,41,,21389,bmse001157,BMET001157
42,covalent,AROM,C5,C15,yes,N,42,,21389,bmse001157,BMET001157
43,covalent,SING,C5,H37,no,N,43,,21389,bmse001157,BMET001157
44,covalent,AROM,C6,C16,yes,N,44,,21389,bmse001157,BMET001157
45,covalent,SING,C6,H38,no,N,45,,21389,bmse001157,BMET001157
1,covalent,SING,S10,C4,no,N,1,,21410,bmse001158,BMET001158
2,covalent,SING,S10,C2,no,N,2,,21410,bmse001158,BMET001158
3,ester,SING,O8,C6,no,N,3,,21410,bmse001158,BMET001158
4,covalent,SING,O8,H12,no,N,4,,21410,bmse001158,BMET001158
5,carbonyl,DOUB,O9,C6,no,N,5,,21410,bmse001158,BMET001158
6,covalent,SING,N7,C5,no,N,6,,21410,bmse001158,BMET001158
7,covalent,SING,N7,H20,no,N,7,,21410,bmse001158,BMET001158
8,covalent,SING,N7,H18,no,N,8,,21410,bmse001158,BMET001158
9,covalent,SING,C3,C5,no,N,9,,21410,bmse001158,BMET001158
10,covalent,SING,C3,C4,no,N,10,,21410,bmse001158,BMET001158
11,covalent,SING,C3,H23,no,N,11,,21410,bmse001158,BMET001158
12,covalent,SING,C3,H21,no,N,12,,21410,bmse001158,BMET001158
13,covalent,SING,C5,C6,no,N,13,,21410,bmse001158,BMET001158
14,covalent,SING,C5,H22,no,N,14,,21410,bmse001158,BMET001158
15,covalent,SING,C4,H16,no,N,15,,21410,bmse001158,BMET001158
16,covalent,SING,C4,H17,no,N,16,,21410,bmse001158,BMET001158
17,covalent,SING,C2,C1,no,N,17,,21410,bmse001158,BMET001158
18,covalent,SING,C2,H19,no,N,18,,21410,bmse001158,BMET001158
19,covalent,SING,C2,H14,no,N,19,,21410,bmse001158,BMET001158
20,covalent,SING,C1,H15,no,N,20,,21410,bmse001158,BMET001158
21,covalent,SING,C1,H13,no,N,21,,21410,bmse001158,BMET001158
22,covalent,SING,C1,H11,no,N,22,,21410,bmse001158,BMET001158
1,covalent,AROM,O18,C15,yes,N,1,,21431,bmse001159,BMET001159
2,covalent,AROM,O18,C14,yes,N,2,,21431,bmse001159,BMET001159
3,covalent,SING,O17,C13,no,N,3,,21431,bmse001159,BMET001159
4,covalent,SING,O17,H19,no,N,4,,21431,bmse001159,BMET001159
5,carbonyl,DOUB,O16,C11,no,N,5,,21431,bmse001159,BMET001159
6,covalent,SING,C12,C15,no,N,6,,21431,bmse001159,BMET001159
7,covalent,AROM,C12,C13,yes,N,7,,21431,bmse001159,BMET001159
8,covalent,AROM,C12,C7,yes,N,8,,21431,bmse001159,BMET001159
9,covalent,AROM,C15,C8,yes,N,9,,21431,bmse001159,BMET001159
10,covalent,SING,C14,C10,no,N,10,,21431,bmse001159,BMET001159
11,covalent,AROM,C14,C9,yes,N,11,,21431,bmse001159,BMET001159
12,covalent,AROM,C13,C9,yes,N,12,,21431,bmse001159,BMET001159
13,covalent,AROM,C10,C4,yes,N,13,,21431,bmse001159,BMET001159
14,covalent,AROM,C10,C5,yes,N,14,,21431,bmse001159,BMET001159
15,covalent,SING,C9,H28,no,N,15,,21431,bmse001159,BMET001159
16,covalent,AROM,C7,C6,yes,N,16,,21431,bmse001159,BMET001159
17,covalent,SING,C7,H27,no,N,17,,21431,bmse001159,BMET001159
18,covalent,AROM,C8,C11,yes,N,18,,21431,bmse001159,BMET001159
19,covalent,SING,C8,H25,no,N,19,,21431,bmse001159,BMET001159
20,covalent,AROM,C6,C11,yes,N,20,,21431,bmse001159,BMET001159
21,covalent,SING,C6,H26,no,N,21,,21431,bmse001159,BMET001159
22,covalent,AROM,C4,C2,yes,N,22,,21431,bmse001159,BMET001159
23,covalent,SING,C4,H24,no,N,23,,21431,bmse001159,BMET001159
24,covalent,AROM,C5,C3,yes,N,24,,21431,bmse001159,BMET001159
25,covalent,SING,C5,H22,no,N,25,,21431,bmse001159,BMET001159
26,covalent,AROM,C2,C1,yes,N,26,,21431,bmse001159,BMET001159
27,covalent,SING,C2,H23,no,N,27,,21431,bmse001159,BMET001159
28,covalent,AROM,C3,C1,yes,N,28,,21431,bmse001159,BMET001159
29,covalent,SING,C3,H20,no,N,29,,21431,bmse001159,BMET001159
30,covalent,SING,C1,H21,no,N,30,,21431,bmse001159,BMET001159
1,covalent,SING,O21,C11,no,N,1,,21452,bmse001160,BMET001160
2,ester,SING,O21,C16,no,N,2,,21452,bmse001160,BMET001160
3,carbonyl,DOUB,O18,C13,no,N,3,,21452,bmse001160,BMET001160
4,carbonyl,DOUB,O20,C16,no,N,4,,21452,bmse001160,BMET001160
5,carbonyl,DOUB,O19,C15,no,N,5,,21452,bmse001160,BMET001160
6,covalent,SING,N17,C14,no,N,6,,21452,bmse001160,BMET001160
7,amide,SING,N17,C15,no,N,7,,21452,bmse001160,BMET001160
8,covalent,SING,N17,H26,no,N,8,,21452,bmse001160,BMET001160
9,covalent,SING,C6,C5,no,N,9,,21452,bmse001160,BMET001160
10,covalent,SING,C6,C7,no,N,10,,21452,bmse001160,BMET001160
11,covalent,SING,C6,H48,no,N,11,,21452,bmse001160,BMET001160
12,covalent,SING,C6,H33,no,N,12,,21452,bmse001160,BMET001160
13,covalent,SING,C5,C4,no,N,13,,21452,bmse001160,BMET001160
14,covalent,SING,C5,H34,no,N,14,,21452,bmse001160,BMET001160
15,covalent,SING,C5,H31,no,N,15,,21452,bmse001160,BMET001160
16,covalent,SING,C7,C8,no,N,16,,21452,bmse001160,BMET001160
17,covalent,SING,C7,H32,no,N,17,,21452,bmse001160,BMET001160
18,covalent,SING,C7,H35,no,N,18,,21452,bmse001160,BMET001160
19,covalent,SING,C4,C3,no,N,19,,21452,bmse001160,BMET001160
20,covalent,SING,C4,H36,no,N,20,,21452,bmse001160,BMET001160
21,covalent,SING,C4,H29,no,N,21,,21452,bmse001160,BMET001160
22,covalent,SING,C8,C9,no,N,22,,21452,bmse001160,BMET001160
23,covalent,SING,C8,H30,no,N,23,,21452,bmse001160,BMET001160
24,covalent,SING,C8,H37,no,N,24,,21452,bmse001160,BMET001160
25,covalent,SING,C14,C10,no,N,25,,21452,bmse001160,BMET001160
26,covalent,SING,C14,C16,no,N,26,,21452,bmse001160,BMET001160
27,covalent,SING,C14,H38,no,N,27,,21452,bmse001160,BMET001160
28,covalent,SING,C3,C2,no,N,28,,21452,bmse001160,BMET001160
29,covalent,SING,C3,H47,no,N,29,,21452,bmse001160,BMET001160
30,covalent,SING,C3,H27,no,N,30,,21452,bmse001160,BMET001160
31,covalent,SING,C9,C13,no,N,31,,21452,bmse001160,BMET001160
32,covalent,SING,C9,H28,no,N,32,,21452,bmse001160,BMET001160
33,covalent,SING,C9,H39,no,N,33,,21452,bmse001160,BMET001160
34,covalent,SING,C10,C11,no,N,34,,21452,bmse001160,BMET001160
35,covalent,SING,C10,H40,no,N,35,,21452,bmse001160,BMET001160
36,covalent,SING,C10,H41,no,N,36,,21452,bmse001160,BMET001160
37,covalent,SING,C11,H42,no,N,37,,21452,bmse001160,BMET001160
38,covalent,SING,C11,H43,no,N,38,,21452,bmse001160,BMET001160
39,covalent,SING,C2,C1,no,N,39,,21452,bmse001160,BMET001160
40,covalent,SING,C2,H44,no,N,40,,21452,bmse001160,BMET001160
41,covalent,SING,C2,H25,no,N,41,,21452,bmse001160,BMET001160
42,covalent,SING,C13,C12,no,N,42,,21452,bmse001160,BMET001160
43,covalent,SING,C12,C15,no,N,43,,21452,bmse001160,BMET001160
44,covalent,SING,C12,H45,no,N,44,,21452,bmse001160,BMET001160
45,covalent,SING,C12,H46,no,N,45,,21452,bmse001160,BMET001160
46,covalent,SING,C1,H22,no,N,46,,21452,bmse001160,BMET001160
47,covalent,SING,C1,H23,no,N,47,,21452,bmse001160,BMET001160
48,covalent,SING,C1,H24,no,N,48,,21452,bmse001160,BMET001160
1,covalent,SING,I1,C23,no,N,1,,21473,bmse001161,BMET001161
2,covalent,SING,I2,C24,no,N,2,,21473,bmse001161,BMET001161
3,covalent,SING,I3,C27,no,N,3,,21473,bmse001161,BMET001161
4,covalent,SING,O4,C18,no,N,4,,21473,bmse001161,BMET001161
5,covalent,SING,O4,C19,no,N,5,,21473,bmse001161,BMET001161
6,covalent,SING,C16,O5,no,N,6,,21473,bmse001161,BMET001161
7,covalent,SING,O5,H41,no,N,7,,21473,bmse001161,BMET001161
8,covalent,SING,C17,O6,no,N,8,,21473,bmse001161,BMET001161
9,covalent,SING,O6,H42,no,N,9,,21473,bmse001161,BMET001161
10,covalent,SING,O7,C19,no,N,10,,21473,bmse001161,BMET001161
11,covalent,SING,O7,H43,no,N,11,,21473,bmse001161,BMET001161
12,covalent,SING,O8,C20,no,N,12,,21473,bmse001161,BMET001161
13,covalent,SING,O8,H44,no,N,13,,21473,bmse001161,BMET001161
14,carbonyl,DOUB,O9,C21,no,N,14,,21473,bmse001161,BMET001161
15,carbonyl,DOUB,O10,C29,no,N,15,,21473,bmse001161,BMET001161
16,carbonyl,DOUB,O11,C30,no,N,16,,21473,bmse001161,BMET001161
17,covalent,SING,C15,N12,no,N,17,,21473,bmse001161,BMET001161
18,amide,SING,N12,C21,no,N,18,,21473,bmse001161,BMET001161
19,covalent,SING,N12,H38,no,N,19,,21473,bmse001161,BMET001161
20,covalent,SING,N13,C25,no,N,20,,21473,bmse001161,BMET001161
21,covalent,SING,N13,C28,no,N,21,,21473,bmse001161,BMET001161
22,amide,SING,N13,C29,no,N,22,,21473,bmse001161,BMET001161
23,covalent,SING,N14,C26,no,N,23,,21473,bmse001161,BMET001161
24,amide,SING,N14,C30,no,N,24,,21473,bmse001161,BMET001161
25,covalent,SING,N14,H45,no,N,25,,21473,bmse001161,BMET001161
26,covalent,SING,C15,C16,no,N,26,,21473,bmse001161,BMET001161
27,covalent,SING,C15,C19,no,N,27,,21473,bmse001161,BMET001161
28,covalent,SING,C15,H33,no,N,28,,21473,bmse001161,BMET001161
29,covalent,SING,C16,C17,no,N,29,,21473,bmse001161,BMET001161
30,covalent,SING,C16,H34,no,N,30,,21473,bmse001161,BMET001161
31,covalent,SING,C17,C18,no,N,31,,21473,bmse001161,BMET001161
32,covalent,SING,C17,H35,no,N,32,,21473,bmse001161,BMET001161
33,covalent,SING,C18,C20,no,N,33,,21473,bmse001161,BMET001161
34,covalent,SING,C18,H36,no,N,34,,21473,bmse001161,BMET001161
35,covalent,SING,C19,H37,no,N,35,,21473,bmse001161,BMET001161
36,covalent,SING,C20,H39,no,N,36,,21473,bmse001161,BMET001161
37,covalent,SING,C20,H40,no,N,37,,21473,bmse001161,BMET001161
38,covalent,SING,C21,C22,no,N,38,,21473,bmse001161,BMET001161
39,covalent,AROM,C22,C23,yes,N,39,,21473,bmse001161,BMET001161
40,covalent,AROM,C22,C24,yes,N,40,,21473,bmse001161,BMET001161
41,covalent,AROM,C23,C25,yes,N,41,,21473,bmse001161,BMET001161
42,covalent,AROM,C24,C26,yes,N,42,,21473,bmse001161,BMET001161
43,covalent,AROM,C25,C27,yes,N,43,,21473,bmse001161,BMET001161
44,covalent,AROM,C26,C27,yes,N,44,,21473,bmse001161,BMET001161
45,covalent,SING,C28,H46,no,N,45,,21473,bmse001161,BMET001161
46,covalent,SING,C28,H47,no,N,46,,21473,bmse001161,BMET001161
47,covalent,SING,C28,H48,no,N,47,,21473,bmse001161,BMET001161
48,covalent,SING,C29,C31,no,N,48,,21473,bmse001161,BMET001161
49,covalent,SING,C30,C32,no,N,49,,21473,bmse001161,BMET001161
50,covalent,SING,C31,H49,no,N,50,,21473,bmse001161,BMET001161
51,covalent,SING,C31,H50,no,N,51,,21473,bmse001161,BMET001161
52,covalent,SING,C31,H51,no,N,52,,21473,bmse001161,BMET001161
53,covalent,SING,C32,H52,no,N,53,,21473,bmse001161,BMET001161
54,covalent,SING,C32,H53,no,N,54,,21473,bmse001161,BMET001161
55,covalent,SING,C32,H54,no,N,55,,21473,bmse001161,BMET001161
1,covalent,SING,C9,C10,no,N,1,,21494,bmse001162,BMET001162
2,covalent,AROM,C9,C7,yes,N,2,,21494,bmse001162,BMET001162
3,covalent,AROM,C9,C5,yes,N,3,,21494,bmse001162,BMET001162
4,covalent,AROM,C10,C8,yes,N,4,,21494,bmse001162,BMET001162
5,covalent,AROM,C10,C6,yes,N,5,,21494,bmse001162,BMET001162
6,covalent,AROM,C7,C4,yes,N,6,,21494,bmse001162,BMET001162
7,covalent,SING,C7,H17,no,N,7,,21494,bmse001162,BMET001162
8,covalent,AROM,C8,C4,yes,N,8,,21494,bmse001162,BMET001162
9,covalent,SING,C8,H18,no,N,9,,21494,bmse001162,BMET001162
10,covalent,AROM,C5,C2,yes,N,10,,21494,bmse001162,BMET001162
11,covalent,SING,C5,H15,no,N,11,,21494,bmse001162,BMET001162
12,covalent,AROM,C6,C3,yes,N,12,,21494,bmse001162,BMET001162
13,covalent,SING,C6,H16,no,N,13,,21494,bmse001162,BMET001162
14,covalent,SING,C4,H14,no,N,14,,21494,bmse001162,BMET001162
15,covalent,AROM,C2,C1,yes,N,15,,21494,bmse001162,BMET001162
16,covalent,SING,C2,H12,no,N,16,,21494,bmse001162,BMET001162
17,covalent,AROM,C3,C1,yes,N,17,,21494,bmse001162,BMET001162
18,covalent,SING,C3,H13,no,N,18,,21494,bmse001162,BMET001162
19,covalent,SING,C1,H11,no,N,19,,21494,bmse001162,BMET001162
1,covalent,SING,O24,C18,no,N,1,,21515,bmse001163,BMET001163
2,covalent,SING,O24,C20,no,N,2,,21515,bmse001163,BMET001163
3,covalent,SING,O23,C21,no,N,3,,21515,bmse001163,BMET001163
4,covalent,SING,O23,H62,no,N,4,,21515,bmse001163,BMET001163
5,covalent,SING,O22,C19,no,N,5,,21515,bmse001163,BMET001163
6,covalent,SING,O22,H63,no,N,6,,21515,bmse001163,BMET001163
7,covalent,SING,C10,C11,no,N,7,,21515,bmse001163,BMET001163
8,covalent,SING,C10,C9,no,N,8,,21515,bmse001163,BMET001163
9,covalent,SING,C10,H68,no,N,9,,21515,bmse001163,BMET001163
10,covalent,SING,C10,H67,no,N,10,,21515,bmse001163,BMET001163
11,covalent,SING,C11,C12,no,N,11,,21515,bmse001163,BMET001163
12,covalent,SING,C11,H44,no,N,12,,21515,bmse001163,BMET001163
13,covalent,SING,C11,H45,no,N,13,,21515,bmse001163,BMET001163
14,covalent,SING,C9,C8,no,N,14,,21515,bmse001163,BMET001163
15,covalent,SING,C9,H46,no,N,15,,21515,bmse001163,BMET001163
16,covalent,SING,C9,H47,no,N,16,,21515,bmse001163,BMET001163
17,covalent,SING,C12,C13,no,N,17,,21515,bmse001163,BMET001163
18,covalent,SING,C12,H42,no,N,18,,21515,bmse001163,BMET001163
19,covalent,SING,C12,H43,no,N,19,,21515,bmse001163,BMET001163
20,covalent,SING,C8,C7,no,N,20,,21515,bmse001163,BMET001163
21,covalent,SING,C8,H48,no,N,21,,21515,bmse001163,BMET001163
22,covalent,SING,C8,H49,no,N,22,,21515,bmse001163,BMET001163
23,covalent,SING,C13,C14,no,N,23,,21515,bmse001163,BMET001163
24,covalent,SING,C13,H40,no,N,24,,21515,bmse001163,BMET001163
25,covalent,SING,C13,H41,no,N,25,,21515,bmse001163,BMET001163
26,covalent,SING,C7,C6,no,N,26,,21515,bmse001163,BMET001163
27,covalent,SING,C7,H50,no,N,27,,21515,bmse001163,BMET001163
28,covalent,SING,C7,H51,no,N,28,,21515,bmse001163,BMET001163
29,covalent,SING,C14,C15,no,N,29,,21515,bmse001163,BMET001163
30,covalent,SING,C14,H38,no,N,30,,21515,bmse001163,BMET001163
31,covalent,SING,C14,H39,no,N,31,,21515,bmse001163,BMET001163
32,covalent,SING,C6,C5,no,N,32,,21515,bmse001163,BMET001163
33,covalent,SING,C6,H52,no,N,33,,21515,bmse001163,BMET001163
34,covalent,SING,C6,H53,no,N,34,,21515,bmse001163,BMET001163
35,covalent,SING,C15,C16,no,N,35,,21515,bmse001163,BMET001163
36,covalent,SING,C15,H36,no,N,36,,21515,bmse001163,BMET001163
37,covalent,SING,C15,H37,no,N,37,,21515,bmse001163,BMET001163
38,covalent,SING,C5,C4,no,N,38,,21515,bmse001163,BMET001163
39,covalent,SING,C5,H54,no,N,39,,21515,bmse001163,BMET001163
40,covalent,SING,C5,H55,no,N,40,,21515,bmse001163,BMET001163
41,covalent,SING,C4,C3,no,N,41,,21515,bmse001163,BMET001163
42,covalent,SING,C4,H34,no,N,42,,21515,bmse001163,BMET001163
43,covalent,SING,C4,H35,no,N,43,,21515,bmse001163,BMET001163
44,covalent,SING,C16,C17,no,N,44,,21515,bmse001163,BMET001163
45,covalent,SING,C16,H32,no,N,45,,21515,bmse001163,BMET001163
46,covalent,SING,C16,H33,no,N,46,,21515,bmse001163,BMET001163
47,covalent,SING,C3,C2,no,N,47,,21515,bmse001163,BMET001163
48,covalent,SING,C3,H56,no,N,48,,21515,bmse001163,BMET001163
49,covalent,SING,C3,H57,no,N,49,,21515,bmse001163,BMET001163
50,covalent,SING,C17,C18,no,N,50,,21515,bmse001163,BMET001163
51,covalent,SING,C17,H30,no,N,51,,21515,bmse001163,BMET001163
52,covalent,SING,C17,H31,no,N,52,,21515,bmse001163,BMET001163
53,covalent,SING,C2,C1,no,N,53,,21515,bmse001163,BMET001163
54,covalent,SING,C2,H58,no,N,54,,21515,bmse001163,BMET001163
55,covalent,SING,C2,H59,no,N,55,,21515,bmse001163,BMET001163
56,covalent,SING,C18,H28,no,N,56,,21515,bmse001163,BMET001163
57,covalent,SING,C18,H29,no,N,57,,21515,bmse001163,BMET001163
58,covalent,SING,C1,H60,no,N,58,,21515,bmse001163,BMET001163
59,covalent,SING,C1,H61,no,N,59,,21515,bmse001163,BMET001163
60,covalent,SING,C1,H27,no,N,60,,21515,bmse001163,BMET001163
61,covalent,SING,C20,C21,no,N,61,,21515,bmse001163,BMET001163
62,covalent,SING,C20,H25,no,N,62,,21515,bmse001163,BMET001163
63,covalent,SING,C20,H26,no,N,63,,21515,bmse001163,BMET001163
64,covalent,SING,C21,C19,no,N,64,,21515,bmse001163,BMET001163
65,covalent,SING,C21,H64,no,N,65,,21515,bmse001163,BMET001163
66,covalent,SING,C19,H65,no,N,66,,21515,bmse001163,BMET001163
67,covalent,SING,C19,H66,no,N,67,,21515,bmse001163,BMET001163
1,covalent,SING,C17,O22,no,N,1,,21535,bmse001164,BMET001164
2,covalent,SING,O22,H24,no,N,2,,21535,bmse001164,BMET001164
3,covalent,SING,C16,O21,no,N,3,,21535,bmse001164,BMET001164
4,covalent,SING,O21,H33,no,N,4,,21535,bmse001164,BMET001164
5,carbonyl,DOUB,O20,C15,no,N,5,,21535,bmse001164,BMET001164
6,covalent,SING,O19,C9,no,N,6,,21535,bmse001164,BMET001164
7,covalent,SING,O19,H26,no,N,7,,21535,bmse001164,BMET001164
8,covalent,SING,C18,C14,no,N,8,,21535,bmse001164,BMET001164
9,covalent,SING,C18,C17,no,N,9,,21535,bmse001164,BMET001164
10,covalent,SING,C18,C5,no,N,10,,21535,bmse001164,BMET001164
11,covalent,SING,C18,C1,no,N,11,,21535,bmse001164,BMET001164
12,covalent,SING,C14,C12,no,N,12,,21535,bmse001164,BMET001164
13,covalent,SING,C14,C8,no,N,13,,21535,bmse001164,BMET001164
14,covalent,SING,C14,H44,no,N,14,,21535,bmse001164,BMET001164
15,covalent,SING,C12,C11,no,N,15,,21535,bmse001164,BMET001164
16,covalent,SING,C12,C7,no,N,16,,21535,bmse001164,BMET001164
17,covalent,SING,C12,H43,no,N,17,,21535,bmse001164,BMET001164
18,covalent,SING,C17,C16,no,N,18,,21535,bmse001164,BMET001164
19,covalent,SING,C17,H42,no,N,19,,21535,bmse001164,BMET001164
20,covalent,SING,C11,C4,no,N,20,,21535,bmse001164,BMET001164
21,covalent,SING,C11,C10,no,N,21,,21535,bmse001164,BMET001164
22,covalent,SING,C11,H39,no,N,22,,21535,bmse001164,BMET001164
23,covalent,SING,C5,C4,no,N,23,,21535,bmse001164,BMET001164
24,covalent,SING,C5,H38,no,N,24,,21535,bmse001164,BMET001164
25,covalent,SING,C5,H41,no,N,25,,21535,bmse001164,BMET001164
26,covalent,SING,C8,C16,no,N,26,,21535,bmse001164,BMET001164
27,covalent,SING,C8,H37,no,N,27,,21535,bmse001164,BMET001164
28,covalent,SING,C8,H30,no,N,28,,21535,bmse001164,BMET001164
29,covalent,SING,C16,H31,no,N,29,,21535,bmse001164,BMET001164
30,covalent,SING,C4,H35,no,N,30,,21535,bmse001164,BMET001164
31,covalent,SING,C4,H36,no,N,31,,21535,bmse001164,BMET001164
32,covalent,SING,C1,H40,no,N,32,,21535,bmse001164,BMET001164
33,covalent,SING,C1,H28,no,N,33,,21535,bmse001164,BMET001164
34,covalent,SING,C1,H29,no,N,34,,21535,bmse001164,BMET001164
35,covalent,SING,C7,C15,no,N,35,,21535,bmse001164,BMET001164
36,covalent,SING,C7,H25,no,N,36,,21535,bmse001164,BMET001164
37,covalent,SING,C7,H23,no,N,37,,21535,bmse001164,BMET001164
38,covalent,AROM,C10,C13,yes,N,38,,21535,bmse001164,BMET001164
39,covalent,AROM,C10,C3,yes,N,39,,21535,bmse001164,BMET001164
40,covalent,SING,C15,C13,no,N,40,,21535,bmse001164,BMET001164
41,covalent,AROM,C13,C6,yes,N,41,,21535,bmse001164,BMET001164
42,covalent,AROM,C3,C2,yes,N,42,,21535,bmse001164,BMET001164
43,covalent,SING,C3,H34,no,N,43,,21535,bmse001164,BMET001164
44,covalent,AROM,C6,C9,yes,N,44,,21535,bmse001164,BMET001164
45,covalent,SING,C6,H27,no,N,45,,21535,bmse001164,BMET001164
46,covalent,AROM,C2,C9,yes,N,46,,21535,bmse001164,BMET001164
47,covalent,SING,C2,H32,no,N,47,,21535,bmse001164,BMET001164
1,covalent,SING,O28,C21,no,N,1,,21556,bmse001165,BMET001165
2,covalent,SING,O28,H45,no,N,2,,21556,bmse001165,BMET001165
3,covalent,SING,C27,C24,no,N,3,,21556,bmse001165,BMET001165
4,covalent,SING,C27,C23,no,N,4,,21556,bmse001165,BMET001165
5,covalent,SING,C27,C16,no,N,5,,21556,bmse001165,BMET001165
6,covalent,SING,C27,C5,no,N,6,,21556,bmse001165,BMET001165
7,covalent,SING,C24,C22,no,N,7,,21556,bmse001165,BMET001165
8,covalent,SING,C24,C12,no,N,8,,21556,bmse001165,BMET001165
9,covalent,SING,C24,H76,no,N,9,,21556,bmse001165,BMET001165
10,covalent,SING,C22,C25,no,N,10,,21556,bmse001165,BMET001165
11,covalent,SING,C22,C10,no,N,11,,21556,bmse001165,BMET001165
12,covalent,SING,C22,H74,no,N,12,,21556,bmse001165,BMET001165
13,covalent,SING,C25,C26,no,N,13,,21556,bmse001165,BMET001165
14,covalent,SING,C25,C14,no,N,14,,21556,bmse001165,BMET001165
15,covalent,SING,C25,H72,no,N,15,,21556,bmse001165,BMET001165
16,covalent,SING,C26,C20,no,N,16,,21556,bmse001165,BMET001165
17,covalent,SING,C26,C15,no,N,17,,21556,bmse001165,BMET001165
18,covalent,SING,C26,C4,no,N,18,,21556,bmse001165,BMET001165
19,covalent,SING,C23,C11,no,N,19,,21556,bmse001165,BMET001165
20,covalent,SING,C23,C19,no,N,20,,21556,bmse001165,BMET001165
21,covalent,SING,C23,H75,no,N,21,,21556,bmse001165,BMET001165
22,covalent,SING,C16,C14,no,N,22,,21556,bmse001165,BMET001165
23,covalent,SING,C16,H73,no,N,23,,21556,bmse001165,BMET001165
24,covalent,SING,C16,H64,no,N,24,,21556,bmse001165,BMET001165
25,covalent,SING,C20,C9,no,N,25,,21556,bmse001165,BMET001165
26,covalent,SING,C20,C17,no,N,26,,21556,bmse001165,BMET001165
27,covalent,SING,C20,H65,no,N,27,,21556,bmse001165,BMET001165
28,covalent,SING,C14,H70,no,N,28,,21556,bmse001165,BMET001165
29,covalent,SING,C14,H60,no,N,29,,21556,bmse001165,BMET001165
30,covalent,SING,C12,C11,no,N,30,,21556,bmse001165,BMET001165
31,covalent,SING,C12,H61,no,N,31,,21556,bmse001165,BMET001165
32,covalent,SING,C12,H56,no,N,32,,21556,bmse001165,BMET001165
33,covalent,SING,C10,C9,no,N,33,,21556,bmse001165,BMET001165
34,covalent,SING,C10,H57,no,N,34,,21556,bmse001165,BMET001165
35,covalent,SING,C10,H52,no,N,35,,21556,bmse001165,BMET001165
36,covalent,SING,C11,H53,no,N,36,,21556,bmse001165,BMET001165
37,covalent,SING,C11,H54,no,N,37,,21556,bmse001165,BMET001165
38,covalent,SING,C9,H55,no,N,38,,21556,bmse001165,BMET001165
39,covalent,SING,C9,H50,no,N,39,,21556,bmse001165,BMET001165
40,covalent,SING,C15,C13,no,N,40,,21556,bmse001165,BMET001165
41,covalent,SING,C15,H51,no,N,41,,21556,bmse001165,BMET001165
42,covalent,SING,C15,H62,no,N,42,,21556,bmse001165,BMET001165
43,covalent,SING,C5,H63,no,N,43,,21556,bmse001165,BMET001165
44,covalent,SING,C5,H41,no,N,44,,21556,bmse001165,BMET001165
45,covalent,SING,C5,H43,no,N,45,,21556,bmse001165,BMET001165
46,covalent,SING,C19,C8,no,N,46,,21556,bmse001165,BMET001165
47,covalent,SING,C19,C3,no,N,47,,21556,bmse001165,BMET001165
48,covalent,SING,C19,H42,no,N,48,,21556,bmse001165,BMET001165
49,covalent,SING,C17,C21,no,N,49,,21556,bmse001165,BMET001165
50,covalent,SING,C17,H69,no,N,50,,21556,bmse001165,BMET001165
51,covalent,SING,C17,H66,no,N,51,,21556,bmse001165,BMET001165
52,covalent,SING,C4,H67,no,N,52,,21556,bmse001165,BMET001165
53,covalent,SING,C4,H39,no,N,53,,21556,bmse001165,BMET001165
54,covalent,SING,C4,H40,no,N,54,,21556,bmse001165,BMET001165
55,covalent,SING,C13,C21,no,N,55,,21556,bmse001165,BMET001165
56,covalent,SING,C13,H38,no,N,56,,21556,bmse001165,BMET001165
57,covalent,SING,C13,H58,no,N,57,,21556,bmse001165,BMET001165
58,covalent,SING,C21,H59,no,N,58,,21556,bmse001165,BMET001165
59,covalent,SING,C8,C6,no,N,59,,21556,bmse001165,BMET001165
60,covalent,SING,C8,H71,no,N,60,,21556,bmse001165,BMET001165
61,covalent,SING,C8,H48,no,N,61,,21556,bmse001165,BMET001165
62,covalent,SING,C3,H49,no,N,62,,21556,bmse001165,BMET001165
63,covalent,SING,C3,H35,no,N,63,,21556,bmse001165,BMET001165
64,covalent,SING,C3,H37,no,N,64,,21556,bmse001165,BMET001165
65,covalent,SING,C6,C7,no,N,65,,21556,bmse001165,BMET001165
66,covalent,SING,C6,H36,no,N,66,,21556,bmse001165,BMET001165
67,covalent,SING,C6,H44,no,N,67,,21556,bmse001165,BMET001165
68,covalent,SING,C7,C18,no,N,68,,21556,bmse001165,BMET001165
69,covalent,SING,C7,H46,no,N,69,,21556,bmse001165,BMET001165
70,covalent,SING,C7,H47,no,N,70,,21556,bmse001165,BMET001165
71,covalent,SING,C18,C1,no,N,71,,21556,bmse001165,BMET001165
72,covalent,SING,C18,C2,no,N,72,,21556,bmse001165,BMET001165
73,covalent,SING,C18,H68,no,N,73,,21556,bmse001165,BMET001165
74,covalent,SING,C1,H31,no,N,74,,21556,bmse001165,BMET001165
75,covalent,SING,C1,H29,no,N,75,,21556,bmse001165,BMET001165
76,covalent,SING,C1,H32,no,N,76,,21556,bmse001165,BMET001165
77,covalent,SING,C2,H30,no,N,77,,21556,bmse001165,BMET001165
78,covalent,SING,C2,H33,no,N,78,,21556,bmse001165,BMET001165
79,covalent,SING,C2,H34,no,N,79,,21556,bmse001165,BMET001165
1,ester,SING,O12,C11,no,N,1,,21575,bmse001166,BMET001166
2,covalent,SING,O12,H14,no,N,2,,21575,bmse001166,BMET001166
3,carbonyl,DOUB,O13,C11,no,N,3,,21575,bmse001166,BMET001166
4,covalent,SING,C4,C8,no,N,4,,21575,bmse001166,BMET001166
5,covalent,SING,C4,C5,no,N,5,,21575,bmse001166,BMET001166
6,covalent,SING,C4,H27,no,N,6,,21575,bmse001166,BMET001166
7,covalent,SING,C4,H17,no,N,7,,21575,bmse001166,BMET001166
8,covalent,SING,C8,C10,no,N,8,,21575,bmse001166,BMET001166
9,covalent,SING,C8,H18,no,N,9,,21575,bmse001166,BMET001166
10,covalent,SING,C8,H23,no,N,10,,21575,bmse001166,BMET001166
11,covalent,SING,C5,C9,no,N,11,,21575,bmse001166,BMET001166
12,covalent,SING,C5,H24,no,N,12,,21575,bmse001166,BMET001166
13,covalent,SING,C5,H19,no,N,13,,21575,bmse001166,BMET001166
14,covalent,AROM,C10,C6,yes,N,14,,21575,bmse001166,BMET001166
15,covalent,AROM,C10,C7,yes,N,15,,21575,bmse001166,BMET001166
16,covalent,SING,C9,C11,no,N,16,,21575,bmse001166,BMET001166
17,covalent,SING,C9,H20,no,N,17,,21575,bmse001166,BMET001166
18,covalent,SING,C9,H25,no,N,18,,21575,bmse001166,BMET001166
19,covalent,AROM,C6,C2,yes,N,19,,21575,bmse001166,BMET001166
20,covalent,SING,C6,H26,no,N,20,,21575,bmse001166,BMET001166
21,covalent,AROM,C7,C3,yes,N,21,,21575,bmse001166,BMET001166
22,covalent,SING,C7,H21,no,N,22,,21575,bmse001166,BMET001166
23,covalent,AROM,C2,C1,yes,N,23,,21575,bmse001166,BMET001166
24,covalent,SING,C2,H22,no,N,24,,21575,bmse001166,BMET001166
25,covalent,AROM,C3,C1,yes,N,25,,21575,bmse001166,BMET001166
26,covalent,SING,C3,H15,no,N,26,,21575,bmse001166,BMET001166
27,covalent,SING,C1,H16,no,N,27,,21575,bmse001166,BMET001166
1,covalent,AROM,O21,C11,yes,N,1,,21596,bmse001167,BMET001167
2,covalent,AROM,O21,C15,yes,N,2,,21596,bmse001167,BMET001167
3,covalent,SING,O20,C14,no,N,3,,21596,bmse001167,BMET001167
4,covalent,SING,O20,H22,no,N,4,,21596,bmse001167,BMET001167
5,covalent,SING,O18,C10,no,N,5,,21596,bmse001167,BMET001167
6,covalent,SING,O18,H23,no,N,6,,21596,bmse001167,BMET001167
7,carbonyl,DOUB,O19,C13,no,N,7,,21596,bmse001167,BMET001167
8,covalent,SING,O17,C9,no,N,8,,21596,bmse001167,BMET001167
9,covalent,SING,O17,H24,no,N,9,,21596,bmse001167,BMET001167
10,covalent,SING,O16,C8,no,N,10,,21596,bmse001167,BMET001167
11,covalent,SING,O16,H25,no,N,11,,21596,bmse001167,BMET001167
12,covalent,AROM,C12,C11,yes,N,12,,21596,bmse001167,BMET001167
13,covalent,AROM,C12,C13,yes,N,13,,21596,bmse001167,BMET001167
14,covalent,AROM,C12,C10,yes,N,14,,21596,bmse001167,BMET001167
15,covalent,AROM,C11,C6,yes,N,15,,21596,bmse001167,BMET001167
16,covalent,AROM,C15,C14,yes,N,16,,21596,bmse001167,BMET001167
17,covalent,SING,C15,C7,no,N,17,,21596,bmse001167,BMET001167
18,covalent,AROM,C13,C14,yes,N,18,,21596,bmse001167,BMET001167
19,covalent,AROM,C7,C1,yes,N,19,,21596,bmse001167,BMET001167
20,covalent,AROM,C7,C2,yes,N,20,,21596,bmse001167,BMET001167
21,covalent,AROM,C10,C5,yes,N,21,,21596,bmse001167,BMET001167
22,covalent,AROM,C6,C9,yes,N,22,,21596,bmse001167,BMET001167
23,covalent,SING,C6,H31,no,N,23,,21596,bmse001167,BMET001167
24,covalent,AROM,C9,C5,yes,N,24,,21596,bmse001167,BMET001167
25,covalent,SING,C5,H30,no,N,25,,21596,bmse001167,BMET001167
26,covalent,AROM,C1,C3,yes,N,26,,21596,bmse001167,BMET001167
27,covalent,SING,C1,H29,no,N,27,,21596,bmse001167,BMET001167
28,covalent,AROM,C2,C4,yes,N,28,,21596,bmse001167,BMET001167
29,covalent,SING,C2,H28,no,N,29,,21596,bmse001167,BMET001167
30,covalent,AROM,C3,C8,yes,N,30,,21596,bmse001167,BMET001167
31,covalent,SING,C3,H27,no,N,31,,21596,bmse001167,BMET001167
32,covalent,AROM,C4,C8,yes,N,32,,21596,bmse001167,BMET001167
33,covalent,SING,C4,H26,no,N,33,,21596,bmse001167,BMET001167
1,covalent,SING,P31,O29,no,N,1,,21617,bmse001168,BMET001168
2,covalent,SING,P31,O30,no,N,2,,21617,bmse001168,BMET001168
3,covalent,SING,P31,O26,no,N,3,,21617,bmse001168,BMET001168
4,covalent,DOUB,P31,O27,no,N,4,,21617,bmse001168,BMET001168
5,covalent,SING,O29,C18,no,N,5,,21617,bmse001168,BMET001168
6,ester,SING,O28,C22,no,N,6,,21617,bmse001168,BMET001168
7,covalent,SING,O28,C19,no,N,7,,21617,bmse001168,BMET001168
8,covalent,SING,O30,C20,no,N,8,,21617,bmse001168,BMET001168
9,carbonyl,DOUB,O25,C22,no,N,9,,21617,bmse001168,BMET001168
10,covalent,SING,C21,O24,no,N,10,,21617,bmse001168,BMET001168
11,covalent,SING,O24,H75,no,N,11,,21617,bmse001168,BMET001168
12,covalent,SING,N23,C17,no,N,12,,21617,bmse001168,BMET001168
13,covalent,SING,N23,C2,no,N,13,,21617,bmse001168,BMET001168
14,covalent,SING,N23,C3,no,N,14,,21617,bmse001168,BMET001168
15,covalent,SING,N23,C4,no,N,15,,21617,bmse001168,BMET001168
16,covalent,SING,C11,C10,no,N,16,,21617,bmse001168,BMET001168
17,covalent,SING,C11,C12,no,N,17,,21617,bmse001168,BMET001168
18,covalent,SING,C11,H77,no,N,18,,21617,bmse001168,BMET001168
19,covalent,SING,C11,H56,no,N,19,,21617,bmse001168,BMET001168
20,covalent,SING,C10,C9,no,N,20,,21617,bmse001168,BMET001168
21,covalent,SING,C10,H57,no,N,21,,21617,bmse001168,BMET001168
22,covalent,SING,C10,H54,no,N,22,,21617,bmse001168,BMET001168
23,covalent,SING,C12,C13,no,N,23,,21617,bmse001168,BMET001168
24,covalent,SING,C12,H55,no,N,24,,21617,bmse001168,BMET001168
25,covalent,SING,C12,H58,no,N,25,,21617,bmse001168,BMET001168
26,covalent,SING,C9,C8,no,N,26,,21617,bmse001168,BMET001168
27,covalent,SING,C9,H59,no,N,27,,21617,bmse001168,BMET001168
28,covalent,SING,C9,H52,no,N,28,,21617,bmse001168,BMET001168
29,covalent,SING,C17,C18,no,N,29,,21617,bmse001168,BMET001168
30,covalent,SING,C17,H53,no,N,30,,21617,bmse001168,BMET001168
31,covalent,SING,C17,H68,no,N,31,,21617,bmse001168,BMET001168
32,covalent,SING,C13,C14,no,N,32,,21617,bmse001168,BMET001168
33,covalent,SING,C13,H69,no,N,33,,21617,bmse001168,BMET001168
34,covalent,SING,C13,H60,no,N,34,,21617,bmse001168,BMET001168
35,covalent,SING,C8,C7,no,N,35,,21617,bmse001168,BMET001168
36,covalent,SING,C8,H61,no,N,36,,21617,bmse001168,BMET001168
37,covalent,SING,C8,H50,no,N,37,,21617,bmse001168,BMET001168
38,covalent,SING,C14,C15,no,N,38,,21617,bmse001168,BMET001168
39,covalent,SING,C14,H51,no,N,39,,21617,bmse001168,BMET001168
40,covalent,SING,C14,H62,no,N,40,,21617,bmse001168,BMET001168
41,covalent,SING,C7,C6,no,N,41,,21617,bmse001168,BMET001168
42,covalent,SING,C7,H63,no,N,42,,21617,bmse001168,BMET001168
43,covalent,SING,C7,H48,no,N,43,,21617,bmse001168,BMET001168
44,covalent,SING,C2,H49,no,N,44,,21617,bmse001168,BMET001168
45,covalent,SING,C2,H35,no,N,45,,21617,bmse001168,BMET001168
46,covalent,SING,C2,H37,no,N,46,,21617,bmse001168,BMET001168
47,covalent,SING,C3,H36,no,N,47,,21617,bmse001168,BMET001168
48,covalent,SING,C3,H39,no,N,48,,21617,bmse001168,BMET001168
49,covalent,SING,C3,H38,no,N,49,,21617,bmse001168,BMET001168
50,covalent,SING,C4,H40,no,N,50,,21617,bmse001168,BMET001168
51,covalent,SING,C4,H41,no,N,51,,21617,bmse001168,BMET001168
52,covalent,SING,C4,H43,no,N,52,,21617,bmse001168,BMET001168
53,covalent,SING,C6,C5,no,N,53,,21617,bmse001168,BMET001168
54,covalent,SING,C6,H42,no,N,54,,21617,bmse001168,BMET001168
55,covalent,SING,C6,H46,no,N,55,,21617,bmse001168,BMET001168
56,covalent,SING,C15,C16,no,N,56,,21617,bmse001168,BMET001168
57,covalent,SING,C15,H47,no,N,57,,21617,bmse001168,BMET001168
58,covalent,SING,C15,H64,no,N,58,,21617,bmse001168,BMET001168
59,covalent,SING,C18,H65,no,N,59,,21617,bmse001168,BMET001168
60,covalent,SING,C18,H70,no,N,60,,21617,bmse001168,BMET001168
61,covalent,SING,C5,C1,no,N,61,,21617,bmse001168,BMET001168
62,covalent,SING,C5,H71,no,N,62,,21617,bmse001168,BMET001168
63,covalent,SING,C5,H44,no,N,63,,21617,bmse001168,BMET001168
64,covalent,SING,C16,C22,no,N,64,,21617,bmse001168,BMET001168
65,covalent,SING,C16,H45,no,N,65,,21617,bmse001168,BMET001168
66,covalent,SING,C16,H66,no,N,66,,21617,bmse001168,BMET001168
67,covalent,SING,C1,H67,no,N,67,,21617,bmse001168,BMET001168
68,covalent,SING,C1,H33,no,N,68,,21617,bmse001168,BMET001168
69,covalent,SING,C1,H32,no,N,69,,21617,bmse001168,BMET001168
70,covalent,SING,C21,C19,no,N,70,,21617,bmse001168,BMET001168
71,covalent,SING,C21,C20,no,N,71,,21617,bmse001168,BMET001168
72,covalent,SING,C21,H34,no,N,72,,21617,bmse001168,BMET001168
73,covalent,SING,C19,H76,no,N,73,,21617,bmse001168,BMET001168
74,covalent,SING,C19,H72,no,N,74,,21617,bmse001168,BMET001168
75,covalent,SING,C20,H73,no,N,75,,21617,bmse001168,BMET001168
76,covalent,SING,C20,H74,no,N,76,,21617,bmse001168,BMET001168
1,carbonyl,DOUB,O21,C15,no,N,1,,21637,bmse001169,BMET001169
2,covalent,SING,C12,O20,no,N,2,,21637,bmse001169,BMET001169
3,covalent,SING,O20,H26,no,N,3,,21637,bmse001169,BMET001169
4,carbonyl,DOUB,O22,C16,no,N,4,,21637,bmse001169,BMET001169
5,covalent,SING,C18,C17,no,N,5,,21637,bmse001169,BMET001169
6,covalent,SING,C18,C11,no,N,6,,21637,bmse001169,BMET001169
7,covalent,SING,C18,C8,no,N,7,,21637,bmse001169,BMET001169
8,covalent,SING,C18,C1,no,N,8,,21637,bmse001169,BMET001169
9,covalent,SING,C13,C17,no,N,9,,21637,bmse001169,BMET001169
10,covalent,SING,C13,C14,no,N,10,,21637,bmse001169,BMET001169
11,covalent,SING,C13,C4,no,N,11,,21637,bmse001169,BMET001169
12,covalent,SING,C13,H50,no,N,12,,21637,bmse001169,BMET001169
13,covalent,SING,C17,C15,no,N,13,,21637,bmse001169,BMET001169
14,covalent,SING,C17,H47,no,N,14,,21637,bmse001169,BMET001169
15,covalent,SING,C14,C19,no,N,15,,21637,bmse001169,BMET001169
16,covalent,SING,C14,C5,no,N,16,,21637,bmse001169,BMET001169
17,covalent,SING,C14,H49,no,N,17,,21637,bmse001169,BMET001169
18,covalent,SING,C11,C3,no,N,18,,21637,bmse001169,BMET001169
19,covalent,SING,C11,C9,no,N,19,,21637,bmse001169,BMET001169
20,covalent,SING,C11,H48,no,N,20,,21637,bmse001169,BMET001169
21,covalent,SING,C19,C10,no,N,21,,21637,bmse001169,BMET001169
22,covalent,SING,C19,C16,no,N,22,,21637,bmse001169,BMET001169
23,covalent,SING,C19,C2,no,N,23,,21637,bmse001169,BMET001169
24,covalent,SING,C4,C3,no,N,24,,21637,bmse001169,BMET001169
25,covalent,SING,C4,H45,no,N,25,,21637,bmse001169,BMET001169
26,covalent,SING,C4,H31,no,N,26,,21637,bmse001169,BMET001169
27,covalent,SING,C3,H32,no,N,27,,21637,bmse001169,BMET001169
28,covalent,SING,C3,H29,no,N,28,,21637,bmse001169,BMET001169
29,covalent,SING,C8,C7,no,N,29,,21637,bmse001169,BMET001169
30,covalent,SING,C8,H30,no,N,30,,21637,bmse001169,BMET001169
31,covalent,SING,C8,H39,no,N,31,,21637,bmse001169,BMET001169
32,covalent,SING,C10,C15,no,N,32,,21637,bmse001169,BMET001169
33,covalent,SING,C10,H40,no,N,33,,21637,bmse001169,BMET001169
34,covalent,SING,C10,H43,no,N,34,,21637,bmse001169,BMET001169
35,covalent,SING,C5,C6,no,N,35,,21637,bmse001169,BMET001169
36,covalent,SING,C5,H44,no,N,36,,21637,bmse001169,BMET001169
37,covalent,SING,C5,H33,no,N,37,,21637,bmse001169,BMET001169
38,covalent,SING,C9,C12,no,N,38,,21637,bmse001169,BMET001169
39,covalent,SING,C9,H34,no,N,39,,21637,bmse001169,BMET001169
40,covalent,SING,C9,H41,no,N,40,,21637,bmse001169,BMET001169
41,covalent,SING,C1,H42,no,N,41,,21637,bmse001169,BMET001169
42,covalent,SING,C1,H23,no,N,42,,21637,bmse001169,BMET001169
43,covalent,SING,C1,H25,no,N,43,,21637,bmse001169,BMET001169
44,covalent,SING,C7,C12,no,N,44,,21637,bmse001169,BMET001169
45,covalent,SING,C7,H24,no,N,45,,21637,bmse001169,BMET001169
46,covalent,SING,C7,H37,no,N,46,,21637,bmse001169,BMET001169
47,covalent,SING,C16,C6,no,N,47,,21637,bmse001169,BMET001169
48,covalent,SING,C12,H38,no,N,48,,21637,bmse001169,BMET001169
49,covalent,SING,C6,H46,no,N,49,,21637,bmse001169,BMET001169
50,covalent,SING,C6,H35,no,N,50,,21637,bmse001169,BMET001169
51,covalent,SING,C2,H36,no,N,51,,21637,bmse001169,BMET001169
52,covalent,SING,C2,H27,no,N,52,,21637,bmse001169,BMET001169
53,covalent,SING,C2,H28,no,N,53,,21637,bmse001169,BMET001169
1,covalent,SING,O25,C21,no,N,1,,21658,bmse001170,BMET001170
2,covalent,SING,O25,H40,no,N,2,,21658,bmse001170,BMET001170
3,carbonyl,DOUB,O24,C17,no,N,3,,21658,bmse001170,BMET001170
4,covalent,SING,O23,C14,no,N,4,,21658,bmse001170,BMET001170
5,covalent,SING,O23,H27,no,N,5,,21658,bmse001170,BMET001170
6,carbonyl,DOUB,O22,C12,no,N,6,,21658,bmse001170,BMET001170
7,covalent,SING,C15,C16,no,N,7,,21658,bmse001170,BMET001170
8,covalent,SING,C15,C18,no,N,8,,21658,bmse001170,BMET001170
9,covalent,SING,C15,C5,no,N,9,,21658,bmse001170,BMET001170
10,covalent,SING,C15,H57,no,N,10,,21658,bmse001170,BMET001170
11,covalent,SING,C16,C20,no,N,11,,21658,bmse001170,BMET001170
12,covalent,SING,C16,C7,no,N,12,,21658,bmse001170,BMET001170
13,covalent,SING,C16,H56,no,N,13,,21658,bmse001170,BMET001170
14,covalent,SING,C20,C21,no,N,14,,21658,bmse001170,BMET001170
15,covalent,SING,C20,C11,no,N,15,,21658,bmse001170,BMET001170
16,covalent,SING,C20,C3,no,N,16,,21658,bmse001170,BMET001170
17,covalent,SING,C18,C19,no,N,17,,21658,bmse001170,BMET001170
18,covalent,SING,C18,C17,no,N,18,,21658,bmse001170,BMET001170
19,covalent,SING,C18,H53,no,N,19,,21658,bmse001170,BMET001170
20,covalent,SING,C19,C13,no,N,20,,21658,bmse001170,BMET001170
21,covalent,SING,C19,C8,no,N,21,,21658,bmse001170,BMET001170
22,covalent,SING,C19,C2,no,N,22,,21658,bmse001170,BMET001170
23,covalent,SING,C13,C4,no,N,23,,21658,bmse001170,BMET001170
24,covalent,SING,C13,C10,no,N,24,,21658,bmse001170,BMET001170
25,covalent,SING,C13,H54,no,N,25,,21658,bmse001170,BMET001170
26,covalent,SING,C21,C9,no,N,26,,21658,bmse001170,BMET001170
27,covalent,SING,C21,C12,no,N,27,,21658,bmse001170,BMET001170
28,covalent,SING,C5,C4,no,N,28,,21658,bmse001170,BMET001170
29,covalent,SING,C5,H55,no,N,29,,21658,bmse001170,BMET001170
30,covalent,SING,C5,H51,no,N,30,,21658,bmse001170,BMET001170
31,covalent,SING,C7,C9,no,N,31,,21658,bmse001170,BMET001170
32,covalent,SING,C7,H37,no,N,32,,21658,bmse001170,BMET001170
33,covalent,SING,C7,H38,no,N,33,,21658,bmse001170,BMET001170
34,covalent,SING,C11,C17,no,N,34,,21658,bmse001170,BMET001170
35,covalent,SING,C11,H41,no,N,35,,21658,bmse001170,BMET001170
36,covalent,SING,C11,H42,no,N,36,,21658,bmse001170,BMET001170
37,covalent,SING,C4,H49,no,N,37,,21658,bmse001170,BMET001170
38,covalent,SING,C4,H50,no,N,38,,21658,bmse001170,BMET001170
39,covalent,SING,C9,H35,no,N,39,,21658,bmse001170,BMET001170
40,covalent,SING,C9,H36,no,N,40,,21658,bmse001170,BMET001170
41,covalent,SING,C8,C6,no,N,41,,21658,bmse001170,BMET001170
42,covalent,SING,C8,H45,no,N,42,,21658,bmse001170,BMET001170
43,covalent,SING,C8,H46,no,N,43,,21658,bmse001170,BMET001170
44,covalent,SING,C10,C14,no,N,44,,21658,bmse001170,BMET001170
45,covalent,SING,C10,H43,no,N,45,,21658,bmse001170,BMET001170
46,covalent,SING,C10,H44,no,N,46,,21658,bmse001170,BMET001170
47,covalent,SING,C3,H47,no,N,47,,21658,bmse001170,BMET001170
48,covalent,SING,C3,H48,no,N,48,,21658,bmse001170,BMET001170
49,covalent,SING,C3,H33,no,N,49,,21658,bmse001170,BMET001170
50,covalent,SING,C2,H32,no,N,50,,21658,bmse001170,BMET001170
51,covalent,SING,C2,H34,no,N,51,,21658,bmse001170,BMET001170
52,covalent,SING,C2,H29,no,N,52,,21658,bmse001170,BMET001170
53,covalent,SING,C6,C14,no,N,53,,21658,bmse001170,BMET001170
54,covalent,SING,C6,H30,no,N,54,,21658,bmse001170,BMET001170
55,covalent,SING,C6,H31,no,N,55,,21658,bmse001170,BMET001170
56,covalent,SING,C14,H39,no,N,56,,21658,bmse001170,BMET001170
57,covalent,SING,C12,C1,no,N,57,,21658,bmse001170,BMET001170
58,covalent,SING,C1,H52,no,N,58,,21658,bmse001170,BMET001170
59,covalent,SING,C1,H26,no,N,59,,21658,bmse001170,BMET001170
60,covalent,SING,C1,H28,no,N,60,,21658,bmse001170,BMET001170
1,covalent,SING,O24,C21,no,N,1,,21679,bmse001171,BMET001171
2,covalent,SING,O24,H39,no,N,2,,21679,bmse001171,BMET001171
3,covalent,SING,O23,C15,no,N,3,,21679,bmse001171,BMET001171
4,covalent,SING,O23,H27,no,N,4,,21679,bmse001171,BMET001171
5,carbonyl,DOUB,O22,C13,no,N,5,,21679,bmse001171,BMET001171
6,covalent,SING,C16,C17,no,N,6,,21679,bmse001171,BMET001171
7,covalent,SING,C16,C18,no,N,7,,21679,bmse001171,BMET001171
8,covalent,SING,C16,C5,no,N,8,,21679,bmse001171,BMET001171
9,covalent,SING,C16,H58,no,N,9,,21679,bmse001171,BMET001171
10,covalent,SING,C17,C19,no,N,10,,21679,bmse001171,BMET001171
11,covalent,SING,C17,C7,no,N,11,,21679,bmse001171,BMET001171
12,covalent,SING,C17,H57,no,N,12,,21679,bmse001171,BMET001171
13,covalent,SING,C18,C20,no,N,13,,21679,bmse001171,BMET001171
14,covalent,SING,C18,C8,no,N,14,,21679,bmse001171,BMET001171
15,covalent,SING,C18,H54,no,N,15,,21679,bmse001171,BMET001171
16,covalent,SING,C20,C10,no,N,16,,21679,bmse001171,BMET001171
17,covalent,SING,C20,C21,no,N,17,,21679,bmse001171,BMET001171
18,covalent,SING,C20,C3,no,N,18,,21679,bmse001171,BMET001171
19,covalent,SING,C19,C14,no,N,19,,21679,bmse001171,BMET001171
20,covalent,SING,C19,C9,no,N,20,,21679,bmse001171,BMET001171
21,covalent,SING,C19,C2,no,N,21,,21679,bmse001171,BMET001171
22,covalent,SING,C14,C4,no,N,22,,21679,bmse001171,BMET001171
23,covalent,SING,C14,C12,no,N,23,,21679,bmse001171,BMET001171
24,covalent,SING,C14,H55,no,N,24,,21679,bmse001171,BMET001171
25,covalent,SING,C7,C10,no,N,25,,21679,bmse001171,BMET001171
26,covalent,SING,C7,H56,no,N,26,,21679,bmse001171,BMET001171
27,covalent,SING,C7,H52,no,N,27,,21679,bmse001171,BMET001171
28,covalent,SING,C10,H40,no,N,28,,21679,bmse001171,BMET001171
29,covalent,SING,C10,H41,no,N,29,,21679,bmse001171,BMET001171
30,covalent,SING,C21,C11,no,N,30,,21679,bmse001171,BMET001171
31,covalent,SING,C21,C13,no,N,31,,21679,bmse001171,BMET001171
32,covalent,SING,C5,C4,no,N,32,,21679,bmse001171,BMET001171
33,covalent,SING,C5,H46,no,N,33,,21679,bmse001171,BMET001171
34,covalent,SING,C5,H47,no,N,34,,21679,bmse001171,BMET001171
35,covalent,SING,C8,C11,no,N,35,,21679,bmse001171,BMET001171
36,covalent,SING,C8,H36,no,N,36,,21679,bmse001171,BMET001171
37,covalent,SING,C8,H37,no,N,37,,21679,bmse001171,BMET001171
38,covalent,SING,C4,H42,no,N,38,,21679,bmse001171,BMET001171
39,covalent,SING,C4,H43,no,N,39,,21679,bmse001171,BMET001171
40,covalent,SING,C11,H34,no,N,40,,21679,bmse001171,BMET001171
41,covalent,SING,C11,H35,no,N,41,,21679,bmse001171,BMET001171
42,covalent,SING,C9,C6,no,N,42,,21679,bmse001171,BMET001171
43,covalent,SING,C9,H48,no,N,43,,21679,bmse001171,BMET001171
44,covalent,SING,C9,H49,no,N,44,,21679,bmse001171,BMET001171
45,covalent,SING,C12,C15,no,N,45,,21679,bmse001171,BMET001171
46,covalent,SING,C12,H44,no,N,46,,21679,bmse001171,BMET001171
47,covalent,SING,C12,H45,no,N,47,,21679,bmse001171,BMET001171
48,covalent,SING,C3,H50,no,N,48,,21679,bmse001171,BMET001171
49,covalent,SING,C3,H51,no,N,49,,21679,bmse001171,BMET001171
50,covalent,SING,C3,H31,no,N,50,,21679,bmse001171,BMET001171
51,covalent,SING,C2,H33,no,N,51,,21679,bmse001171,BMET001171
52,covalent,SING,C2,H32,no,N,52,,21679,bmse001171,BMET001171
53,covalent,SING,C2,H29,no,N,53,,21679,bmse001171,BMET001171
54,covalent,SING,C6,C15,no,N,54,,21679,bmse001171,BMET001171
55,covalent,SING,C6,H30,no,N,55,,21679,bmse001171,BMET001171
56,covalent,SING,C6,H28,no,N,56,,21679,bmse001171,BMET001171
57,covalent,SING,C15,H38,no,N,57,,21679,bmse001171,BMET001171
58,covalent,SING,C13,C1,no,N,58,,21679,bmse001171,BMET001171
59,covalent,SING,C1,H53,no,N,59,,21679,bmse001171,BMET001171
60,covalent,SING,C1,H25,no,N,60,,21679,bmse001171,BMET001171
61,covalent,SING,C1,H26,no,N,61,,21679,bmse001171,BMET001171
1,carbonyl,DOUB,O19,C17,no,N,1,,21700,bmse001172,BMET001172
2,covalent,SING,C16,C18,no,N,2,,21700,bmse001172,BMET001172
3,covalent,SING,C16,C15,no,N,3,,21700,bmse001172,BMET001172
4,covalent,SING,C16,C8,no,N,4,,21700,bmse001172,BMET001172
5,covalent,SING,C16,H41,no,N,5,,21700,bmse001172,BMET001172
6,covalent,SING,C18,C11,no,N,6,,21700,bmse001172,BMET001172
7,covalent,SING,C18,C17,no,N,7,,21700,bmse001172,BMET001172
8,covalent,SING,C18,C1,no,N,8,,21700,bmse001172,BMET001172
9,covalent,SING,C15,C14,no,N,9,,21700,bmse001172,BMET001172
10,covalent,SING,C15,C7,no,N,10,,21700,bmse001172,BMET001172
11,covalent,SING,C15,H40,no,N,11,,21700,bmse001172,BMET001172
12,covalent,SING,C14,C10,no,N,12,,21700,bmse001172,BMET001172
13,covalent,SING,C14,C13,no,N,13,,21700,bmse001172,BMET001172
14,covalent,SING,C14,H39,no,N,14,,21700,bmse001172,BMET001172
15,covalent,SING,C11,C10,no,N,15,,21700,bmse001172,BMET001172
16,covalent,SING,C11,H37,no,N,16,,21700,bmse001172,BMET001172
17,covalent,SING,C11,H38,no,N,17,,21700,bmse001172,BMET001172
18,covalent,SING,C8,C9,no,N,18,,21700,bmse001172,BMET001172
19,covalent,SING,C8,H31,no,N,19,,21700,bmse001172,BMET001172
20,covalent,SING,C8,H32,no,N,20,,21700,bmse001172,BMET001172
21,covalent,SING,C10,H35,no,N,21,,21700,bmse001172,BMET001172
22,covalent,SING,C10,H36,no,N,22,,21700,bmse001172,BMET001172
23,covalent,SING,C7,C6,no,N,23,,21700,bmse001172,BMET001172
24,covalent,SING,C7,H29,no,N,24,,21700,bmse001172,BMET001172
25,covalent,SING,C7,H30,no,N,25,,21700,bmse001172,BMET001172
26,covalent,SING,C17,C9,no,N,26,,21700,bmse001172,BMET001172
27,covalent,SING,C9,H33,no,N,27,,21700,bmse001172,BMET001172
28,covalent,SING,C9,H34,no,N,28,,21700,bmse001172,BMET001172
29,covalent,SING,C1,H22,no,N,29,,21700,bmse001172,BMET001172
30,covalent,SING,C1,H20,no,N,30,,21700,bmse001172,BMET001172
31,covalent,SING,C1,H21,no,N,31,,21700,bmse001172,BMET001172
32,covalent,AROM,C13,C12,yes,N,32,,21700,bmse001172,BMET001172
33,covalent,AROM,C13,C5,yes,N,33,,21700,bmse001172,BMET001172
34,covalent,SING,C6,C12,no,N,34,,21700,bmse001172,BMET001172
35,covalent,SING,C6,H27,no,N,35,,21700,bmse001172,BMET001172
36,covalent,SING,C6,H28,no,N,36,,21700,bmse001172,BMET001172
37,covalent,AROM,C12,C4,yes,N,37,,21700,bmse001172,BMET001172
38,covalent,AROM,C5,C3,yes,N,38,,21700,bmse001172,BMET001172
39,covalent,SING,C5,H26,no,N,39,,21700,bmse001172,BMET001172
40,covalent,AROM,C4,C2,yes,N,40,,21700,bmse001172,BMET001172
41,covalent,SING,C4,H25,no,N,41,,21700,bmse001172,BMET001172
42,covalent,AROM,C3,C2,yes,N,42,,21700,bmse001172,BMET001172
43,covalent,SING,C3,H24,no,N,43,,21700,bmse001172,BMET001172
44,covalent,SING,C2,H23,no,N,44,,21700,bmse001172,BMET001172
1,covalent,AROM,O21,C14,yes,N,1,,21721,bmse001173,BMET001173
2,covalent,AROM,O21,C8,yes,N,2,,21721,bmse001173,BMET001173
3,covalent,SING,O18,C13,no,N,3,,21721,bmse001173,BMET001173
4,covalent,SING,O18,H27,no,N,4,,21721,bmse001173,BMET001173
5,carbonyl,DOUB,O19,C16,no,N,5,,21721,bmse001173,BMET001173
6,covalent,SING,O20,C11,no,N,6,,21721,bmse001173,BMET001173
7,covalent,SING,O20,C1,no,N,7,,21721,bmse001173,BMET001173
8,covalent,SING,O17,C10,no,N,8,,21721,bmse001173,BMET001173
9,covalent,SING,O17,H28,no,N,9,,21721,bmse001173,BMET001173
10,covalent,AROM,C15,C14,yes,N,10,,21721,bmse001173,BMET001173
11,covalent,AROM,C15,C16,yes,N,11,,21721,bmse001173,BMET001173
12,covalent,AROM,C15,C13,yes,N,12,,21721,bmse001173,BMET001173
13,covalent,AROM,C12,C16,yes,N,13,,21721,bmse001173,BMET001173
14,covalent,SING,C12,C9,no,N,14,,21721,bmse001173,BMET001173
15,covalent,AROM,C12,C8,yes,N,15,,21721,bmse001173,BMET001173
16,covalent,AROM,C14,C7,yes,N,16,,21721,bmse001173,BMET001173
17,covalent,AROM,C9,C2,yes,N,17,,21721,bmse001173,BMET001173
18,covalent,AROM,C9,C3,yes,N,18,,21721,bmse001173,BMET001173
19,covalent,AROM,C13,C6,yes,N,19,,21721,bmse001173,BMET001173
20,covalent,SING,C8,H33,no,N,20,,21721,bmse001173,BMET001173
21,covalent,AROM,C7,C10,yes,N,21,,21721,bmse001173,BMET001173
22,covalent,SING,C7,H32,no,N,22,,21721,bmse001173,BMET001173
23,covalent,AROM,C2,C4,yes,N,23,,21721,bmse001173,BMET001173
24,covalent,SING,C2,H31,no,N,24,,21721,bmse001173,BMET001173
25,covalent,AROM,C3,C5,yes,N,25,,21721,bmse001173,BMET001173
26,covalent,SING,C3,H30,no,N,26,,21721,bmse001173,BMET001173
27,covalent,AROM,C6,C10,yes,N,27,,21721,bmse001173,BMET001173
28,covalent,SING,C6,H25,no,N,28,,21721,bmse001173,BMET001173
29,covalent,AROM,C4,C11,yes,N,29,,21721,bmse001173,BMET001173
30,covalent,SING,C4,H26,no,N,30,,21721,bmse001173,BMET001173
31,covalent,AROM,C5,C11,yes,N,31,,21721,bmse001173,BMET001173
32,covalent,SING,C5,H29,no,N,32,,21721,bmse001173,BMET001173
33,covalent,SING,C1,H24,no,N,33,,21721,bmse001173,BMET001173
34,covalent,SING,C1,H23,no,N,34,,21721,bmse001173,BMET001173
35,covalent,SING,C1,H22,no,N,35,,21721,bmse001173,BMET001173
1,covalent,AROM,O20,C13,yes,N,1,,21742,bmse001174,BMET001174
2,covalent,AROM,O20,C7,yes,N,2,,21742,bmse001174,BMET001174
3,covalent,SING,O18,C12,no,N,3,,21742,bmse001174,BMET001174
4,covalent,SING,O18,H22,no,N,4,,21742,bmse001174,BMET001174
5,carbonyl,DOUB,O19,C15,no,N,5,,21742,bmse001174,BMET001174
6,covalent,SING,O17,C10,no,N,6,,21742,bmse001174,BMET001174
7,covalent,SING,O17,H23,no,N,7,,21742,bmse001174,BMET001174
8,covalent,SING,O16,C9,no,N,8,,21742,bmse001174,BMET001174
9,covalent,SING,O16,H24,no,N,9,,21742,bmse001174,BMET001174
10,covalent,AROM,C14,C13,yes,N,10,,21742,bmse001174,BMET001174
11,covalent,AROM,C14,C15,yes,N,11,,21742,bmse001174,BMET001174
12,covalent,AROM,C14,C12,yes,N,12,,21742,bmse001174,BMET001174
13,covalent,AROM,C11,C15,yes,N,13,,21742,bmse001174,BMET001174
14,covalent,SING,C11,C8,no,N,14,,21742,bmse001174,BMET001174
15,covalent,AROM,C11,C7,yes,N,15,,21742,bmse001174,BMET001174
16,covalent,AROM,C13,C6,yes,N,16,,21742,bmse001174,BMET001174
17,covalent,AROM,C8,C1,yes,N,17,,21742,bmse001174,BMET001174
18,covalent,AROM,C8,C2,yes,N,18,,21742,bmse001174,BMET001174
19,covalent,AROM,C12,C5,yes,N,19,,21742,bmse001174,BMET001174
20,covalent,SING,C7,H30,no,N,20,,21742,bmse001174,BMET001174
21,covalent,AROM,C6,C10,yes,N,21,,21742,bmse001174,BMET001174
22,covalent,SING,C6,H29,no,N,22,,21742,bmse001174,BMET001174
23,covalent,AROM,C5,C10,yes,N,23,,21742,bmse001174,BMET001174
24,covalent,SING,C5,H28,no,N,24,,21742,bmse001174,BMET001174
25,covalent,AROM,C1,C3,yes,N,25,,21742,bmse001174,BMET001174
26,covalent,SING,C1,H27,no,N,26,,21742,bmse001174,BMET001174
27,covalent,AROM,C2,C4,yes,N,27,,21742,bmse001174,BMET001174
28,covalent,SING,C2,H26,no,N,28,,21742,bmse001174,BMET001174
29,covalent,AROM,C3,C9,yes,N,29,,21742,bmse001174,BMET001174
30,covalent,SING,C3,H25,no,N,30,,21742,bmse001174,BMET001174
31,covalent,AROM,C4,C9,yes,N,31,,21742,bmse001174,BMET001174
32,covalent,SING,C4,H21,no,N,32,,21742,bmse001174,BMET001174
1,carbonyl,DOUB,O33,C19,no,N,1,,21763,bmse001175,BMET001175
2,carbonyl,DOUB,O31,C17,no,N,2,,21763,bmse001175,BMET001175
3,carbonyl,DOUB,O32,C18,no,N,3,,21763,bmse001175,BMET001175
4,ester,SING,O34,C20,no,N,4,,21763,bmse001175,BMET001175
5,covalent,SING,O34,H59,no,N,5,,21763,bmse001175,BMET001175
6,covalent,SING,C12,O30,no,N,6,,21763,bmse001175,BMET001175
7,covalent,SING,O30,H55,no,N,7,,21763,bmse001175,BMET001175
8,carbonyl,DOUB,O35,C20,no,N,8,,21763,bmse001175,BMET001175
9,covalent,SING,N29,C15,no,N,9,,21763,bmse001175,BMET001175
10,covalent,SING,N29,C11,no,N,10,,21763,bmse001175,BMET001175
11,amide,SING,N29,C19,no,N,11,,21763,bmse001175,BMET001175
12,amide,SING,N28,C17,no,N,12,,21763,bmse001175,BMET001175
13,covalent,SING,C14,N28,no,N,13,,21763,bmse001175,BMET001175
14,covalent,SING,N28,H70,no,N,14,,21763,bmse001175,BMET001175
15,covalent,SING,C13,N27,no,N,15,,21763,bmse001175,BMET001175
16,amide,SING,N27,C18,no,N,16,,21763,bmse001175,BMET001175
17,covalent,SING,N27,H51,no,N,17,,21763,bmse001175,BMET001175
18,covalent,SING,C16,N23,no,N,18,,21763,bmse001175,BMET001175
19,covalent,SING,N23,H49,no,N,19,,21763,bmse001175,BMET001175
20,covalent,SING,N23,H50,no,N,20,,21763,bmse001175,BMET001175
21,covalent,SING,N22,C9,no,N,21,,21763,bmse001175,BMET001175
22,covalent,SING,N22,H53,no,N,22,,21763,bmse001175,BMET001175
23,covalent,SING,N22,H54,no,N,23,,21763,bmse001175,BMET001175
24,covalent,SING,N26,C10,no,N,24,,21763,bmse001175,BMET001175
25,covalent,DOUB,N26,C21,no,N,25,,21763,bmse001175,BMET001175
26,covalent,SING,N24,C21,no,N,26,,21763,bmse001175,BMET001175
27,covalent,SING,N24,H56,no,N,27,,21763,bmse001175,BMET001175
28,covalent,SING,N24,H38,no,N,28,,21763,bmse001175,BMET001175
29,covalent,SING,N25,C21,no,N,29,,21763,bmse001175,BMET001175
30,covalent,SING,N25,H37,no,N,30,,21763,bmse001175,BMET001175
31,covalent,SING,N25,H36,no,N,31,,21763,bmse001175,BMET001175
32,covalent,SING,C15,C8,no,N,32,,21763,bmse001175,BMET001175
33,covalent,SING,C15,C17,no,N,33,,21763,bmse001175,BMET001175
34,covalent,SING,C15,H75,no,N,34,,21763,bmse001175,BMET001175
35,covalent,SING,C8,C5,no,N,35,,21763,bmse001175,BMET001175
36,covalent,SING,C8,H74,no,N,36,,21763,bmse001175,BMET001175
37,covalent,SING,C8,H73,no,N,37,,21763,bmse001175,BMET001175
38,covalent,SING,C5,C11,no,N,38,,21763,bmse001175,BMET001175
39,covalent,SING,C5,H72,no,N,39,,21763,bmse001175,BMET001175
40,covalent,SING,C5,H66,no,N,40,,21763,bmse001175,BMET001175
41,covalent,SING,C11,H67,no,N,41,,21763,bmse001175,BMET001175
42,covalent,SING,C11,H64,no,N,42,,21763,bmse001175,BMET001175
43,covalent,SING,C19,C13,no,N,43,,21763,bmse001175,BMET001175
44,covalent,SING,C13,C6,no,N,44,,21763,bmse001175,BMET001175
45,covalent,SING,C13,H65,no,N,45,,21763,bmse001175,BMET001175
46,covalent,SING,C6,C2,no,N,46,,21763,bmse001175,BMET001175
47,covalent,SING,C6,H68,no,N,47,,21763,bmse001175,BMET001175
48,covalent,SING,C6,H69,no,N,48,,21763,bmse001175,BMET001175
49,covalent,SING,C2,C3,no,N,49,,21763,bmse001175,BMET001175
50,covalent,SING,C2,H71,no,N,50,,21763,bmse001175,BMET001175
51,covalent,SING,C2,H62,no,N,51,,21763,bmse001175,BMET001175
52,covalent,SING,C14,C7,no,N,52,,21763,bmse001175,BMET001175
53,covalent,SING,C14,C20,no,N,53,,21763,bmse001175,BMET001175
54,covalent,SING,C14,H52,no,N,54,,21763,bmse001175,BMET001175
55,covalent,SING,C3,C9,no,N,55,,21763,bmse001175,BMET001175
56,covalent,SING,C3,H45,no,N,56,,21763,bmse001175,BMET001175
57,covalent,SING,C3,H46,no,N,57,,21763,bmse001175,BMET001175
58,covalent,SING,C7,C4,no,N,58,,21763,bmse001175,BMET001175
59,covalent,SING,C7,H57,no,N,59,,21763,bmse001175,BMET001175
60,covalent,SING,C7,H58,no,N,60,,21763,bmse001175,BMET001175
61,covalent,SING,C18,C16,no,N,61,,21763,bmse001175,BMET001175
62,covalent,SING,C16,C12,no,N,62,,21763,bmse001175,BMET001175
63,covalent,SING,C16,H60,no,N,63,,21763,bmse001175,BMET001175
64,covalent,SING,C4,C10,no,N,64,,21763,bmse001175,BMET001175
65,covalent,SING,C4,H47,no,N,65,,21763,bmse001175,BMET001175
66,covalent,SING,C4,H48,no,N,66,,21763,bmse001175,BMET001175
67,covalent,SING,C9,H39,no,N,67,,21763,bmse001175,BMET001175
68,covalent,SING,C9,H40,no,N,68,,21763,bmse001175,BMET001175
69,covalent,SING,C12,C1,no,N,69,,21763,bmse001175,BMET001175
70,covalent,SING,C12,H61,no,N,70,,21763,bmse001175,BMET001175
71,covalent,SING,C10,H41,no,N,71,,21763,bmse001175,BMET001175
72,covalent,SING,C10,H42,no,N,72,,21763,bmse001175,BMET001175
73,covalent,SING,C1,H63,no,N,73,,21763,bmse001175,BMET001175
74,covalent,SING,C1,H43,no,N,74,,21763,bmse001175,BMET001175
75,covalent,SING,C1,H44,no,N,75,,21763,bmse001175,BMET001175
1,covalent,AROM,O22,C11,yes,N,1,,21784,bmse001176,BMET001176
2,covalent,AROM,O22,C15,yes,N,2,,21784,bmse001176,BMET001176
3,carbonyl,DOUB,O20,C13,no,N,3,,21784,bmse001176,BMET001176
4,covalent,SING,O21,C14,no,N,4,,21784,bmse001176,BMET001176
5,covalent,SING,O19,C10,no,N,5,,21784,bmse001176,BMET001176
6,covalent,SING,O16,C7,no,N,6,,21784,bmse001176,BMET001176
7,covalent,SING,O18,C9,no,N,7,,21784,bmse001176,BMET001176
8,covalent,SING,O17,C8,no,N,8,,21784,bmse001176,BMET001176
9,covalent,AROM,C12,C11,yes,N,9,,21784,bmse001176,BMET001176
10,covalent,AROM,C12,C13,yes,N,10,,21784,bmse001176,BMET001176
11,covalent,AROM,C12,C10,yes,N,11,,21784,bmse001176,BMET001176
12,covalent,AROM,C11,C5,yes,N,12,,21784,bmse001176,BMET001176
13,covalent,AROM,C15,C14,yes,N,13,,21784,bmse001176,BMET001176
14,covalent,SING,C15,C6,no,N,14,,21784,bmse001176,BMET001176
15,covalent,AROM,C13,C14,yes,N,15,,21784,bmse001176,BMET001176
16,covalent,AROM,C10,C4,yes,N,16,,21784,bmse001176,BMET001176
17,covalent,AROM,C6,C3,yes,N,17,,21784,bmse001176,BMET001176
18,covalent,AROM,C6,C1,yes,N,18,,21784,bmse001176,BMET001176
19,covalent,AROM,C5,C7,yes,N,19,,21784,bmse001176,BMET001176
20,covalent,AROM,C7,C4,yes,N,20,,21784,bmse001176,BMET001176
21,covalent,AROM,C3,C9,yes,N,21,,21784,bmse001176,BMET001176
22,covalent,AROM,C1,C2,yes,N,22,,21784,bmse001176,BMET001176
23,covalent,AROM,C9,C8,yes,N,23,,21784,bmse001176,BMET001176
24,covalent,AROM,C8,C2,yes,N,24,,21784,bmse001176,BMET001176
25,covalent,SING,O21,H32,no,N,25,,21784,bmse001176,BMET001176
26,covalent,SING,O19,H31,no,N,26,,21784,bmse001176,BMET001176
27,covalent,SING,O16,H28,no,N,27,,21784,bmse001176,BMET001176
28,covalent,SING,O18,H30,no,N,28,,21784,bmse001176,BMET001176
29,covalent,SING,O17,H29,no,N,29,,21784,bmse001176,BMET001176
30,covalent,SING,C5,H27,no,N,30,,21784,bmse001176,BMET001176
31,covalent,SING,C4,H26,no,N,31,,21784,bmse001176,BMET001176
32,covalent,SING,C3,H25,no,N,32,,21784,bmse001176,BMET001176
33,covalent,SING,C1,H23,no,N,33,,21784,bmse001176,BMET001176
34,covalent,SING,C2,H24,no,N,34,,21784,bmse001176,BMET001176
1,ester,SING,O39,C33,no,N,1,,21805,bmse001177,BMET001177
2,covalent,SING,O39,H45,no,N,2,,21805,bmse001177,BMET001177
3,ester,SING,O41,C34,no,N,3,,21805,bmse001177,BMET001177
4,covalent,SING,O41,H46,no,N,4,,21805,bmse001177,BMET001177
5,carbonyl,DOUB,O40,C33,no,N,5,,21805,bmse001177,BMET001177
6,carbonyl,DOUB,O42,C34,no,N,6,,21805,bmse001177,BMET001177
7,covalent,AROM,N35,C25,yes,N,7,,21805,bmse001177,BMET001177
8,covalent,AROM,N35,C29,yes,N,8,,21805,bmse001177,BMET001177
9,covalent,SING,N35,H64,no,N,9,,21805,bmse001177,BMET001177
10,covalent,AROM,N36,C27,yes,N,10,,21805,bmse001177,BMET001177
11,covalent,AROM,N36,C30,yes,N,11,,21805,bmse001177,BMET001177
12,covalent,SING,N36,H72,no,N,12,,21805,bmse001177,BMET001177
13,covalent,DOUB,N37,C31,no,N,13,,21805,bmse001177,BMET001177
14,covalent,SING,N37,C26,no,N,14,,21805,bmse001177,BMET001177
15,covalent,SING,N38,C32,no,N,15,,21805,bmse001177,BMET001177
16,covalent,DOUB,N38,C28,no,N,16,,21805,bmse001177,BMET001177
17,covalent,SING,C23,C31,no,N,17,,21805,bmse001177,BMET001177
18,covalent,DOUB,C23,C19,no,N,18,,21805,bmse001177,BMET001177
19,covalent,SING,C23,C9,no,N,19,,21805,bmse001177,BMET001177
20,covalent,SING,C24,C32,no,N,20,,21805,bmse001177,BMET001177
21,covalent,DOUB,C24,C20,no,N,21,,21805,bmse001177,BMET001177
22,covalent,SING,C24,C10,no,N,22,,21805,bmse001177,BMET001177
23,covalent,SING,C31,C16,no,N,23,,21805,bmse001177,BMET001177
24,covalent,SING,C19,C26,no,N,24,,21805,bmse001177,BMET001177
25,covalent,SING,C19,C5,no,N,25,,21805,bmse001177,BMET001177
26,covalent,DOUB,C32,C16,no,N,26,,21805,bmse001177,BMET001177
27,covalent,SING,C20,C28,no,N,27,,21805,bmse001177,BMET001177
28,covalent,SING,C20,C6,no,N,28,,21805,bmse001177,BMET001177
29,covalent,DOUB,C26,C13,no,N,29,,21805,bmse001177,BMET001177
30,covalent,SING,C28,C15,no,N,30,,21805,bmse001177,BMET001177
31,covalent,AROM,C25,C17,yes,N,31,,21805,bmse001177,BMET001177
32,covalent,SING,C25,C13,no,N,32,,21805,bmse001177,BMET001177
33,covalent,AROM,C27,C18,yes,N,33,,21805,bmse001177,BMET001177
34,covalent,DOUB,C27,C14,no,N,34,,21805,bmse001177,BMET001177
35,covalent,AROM,C30,C22,yes,N,35,,21805,bmse001177,BMET001177
36,covalent,DOUB,C30,C15,no,N,36,,21805,bmse001177,BMET001177
37,covalent,AROM,C29,C21,yes,N,37,,21805,bmse001177,BMET001177
38,covalent,SING,C29,C14,no,N,38,,21805,bmse001177,BMET001177
39,covalent,SING,C9,C11,no,N,39,,21805,bmse001177,BMET001177
40,covalent,SING,C9,H75,no,N,40,,21805,bmse001177,BMET001177
41,covalent,SING,C9,H76,no,N,41,,21805,bmse001177,BMET001177
42,covalent,SING,C10,C12,no,N,42,,21805,bmse001177,BMET001177
43,covalent,SING,C10,H73,no,N,43,,21805,bmse001177,BMET001177
44,covalent,SING,C10,H74,no,N,44,,21805,bmse001177,BMET001177
45,covalent,SING,C16,H61,no,N,45,,21805,bmse001177,BMET001177
46,covalent,AROM,C17,C21,yes,N,46,,21805,bmse001177,BMET001177
47,covalent,SING,C17,C3,no,N,47,,21805,bmse001177,BMET001177
48,covalent,AROM,C18,C22,yes,N,48,,21805,bmse001177,BMET001177
49,covalent,SING,C18,C4,no,N,49,,21805,bmse001177,BMET001177
50,covalent,SING,C21,C7,no,N,50,,21805,bmse001177,BMET001177
51,covalent,SING,C22,C8,no,N,51,,21805,bmse001177,BMET001177
52,covalent,SING,C13,H62,no,N,52,,21805,bmse001177,BMET001177
53,covalent,SING,C15,H63,no,N,53,,21805,bmse001177,BMET001177
54,covalent,SING,C14,H69,no,N,54,,21805,bmse001177,BMET001177
55,covalent,SING,C5,H71,no,N,55,,21805,bmse001177,BMET001177
56,covalent,SING,C5,H70,no,N,56,,21805,bmse001177,BMET001177
57,covalent,SING,C5,H55,no,N,57,,21805,bmse001177,BMET001177
58,covalent,SING,C11,C33,no,N,58,,21805,bmse001177,BMET001177
59,covalent,SING,C11,H53,no,N,59,,21805,bmse001177,BMET001177
60,covalent,SING,C11,H54,no,N,60,,21805,bmse001177,BMET001177
61,covalent,SING,C12,C34,no,N,61,,21805,bmse001177,BMET001177
62,covalent,SING,C12,H65,no,N,62,,21805,bmse001177,BMET001177
63,covalent,SING,C12,H66,no,N,63,,21805,bmse001177,BMET001177
64,covalent,SING,C6,H67,no,N,64,,21805,bmse001177,BMET001177
65,covalent,SING,C6,H68,no,N,65,,21805,bmse001177,BMET001177
66,covalent,SING,C6,H56,no,N,66,,21805,bmse001177,BMET001177
67,covalent,SING,C3,H57,no,N,67,,21805,bmse001177,BMET001177
68,covalent,SING,C3,H58,no,N,68,,21805,bmse001177,BMET001177
69,covalent,SING,C3,H47,no,N,69,,21805,bmse001177,BMET001177
70,covalent,SING,C4,H48,no,N,70,,21805,bmse001177,BMET001177
71,covalent,SING,C4,H49,no,N,71,,21805,bmse001177,BMET001177
72,covalent,SING,C4,H52,no,N,72,,21805,bmse001177,BMET001177
73,covalent,DOUB,C7,C1,no,N,73,,21805,bmse001177,BMET001177
74,covalent,SING,C7,H50,no,N,74,,21805,bmse001177,BMET001177
75,covalent,DOUB,C8,C2,no,N,75,,21805,bmse001177,BMET001177
76,covalent,SING,C8,H51,no,N,76,,21805,bmse001177,BMET001177
77,covalent,SING,C1,H59,no,N,77,,21805,bmse001177,BMET001177
78,covalent,SING,C1,H60,no,N,78,,21805,bmse001177,BMET001177
79,covalent,SING,C2,H43,no,N,79,,21805,bmse001177,BMET001177
80,covalent,SING,C2,H44,no,N,80,,21805,bmse001177,BMET001177
1,ester,SING,O1,C22,no,N,1,,21826,bmse001178,BMET001178
2,covalent,SING,O1,H54,no,N,2,,21826,bmse001178,BMET001178
3,carbonyl,DOUB,O2,C22,no,N,3,,21826,bmse001178,BMET001178
4,covalent,SING,C3,C4,no,N,4,,21826,bmse001178,BMET001178
5,covalent,SING,C3,C5,no,N,5,,21826,bmse001178,BMET001178
6,covalent,SING,C3,H23,no,N,6,,21826,bmse001178,BMET001178
7,covalent,SING,C3,H24,no,N,7,,21826,bmse001178,BMET001178
8,covalent,SING,C4,C6,no,N,8,,21826,bmse001178,BMET001178
9,covalent,SING,C4,H25,no,N,9,,21826,bmse001178,BMET001178
10,covalent,SING,C4,H26,no,N,10,,21826,bmse001178,BMET001178
11,covalent,SING,C5,C7,no,N,11,,21826,bmse001178,BMET001178
12,covalent,SING,C5,H27,no,N,12,,21826,bmse001178,BMET001178
13,covalent,SING,C5,H28,no,N,13,,21826,bmse001178,BMET001178
14,covalent,SING,C6,C8,no,N,14,,21826,bmse001178,BMET001178
15,covalent,SING,C6,H29,no,N,15,,21826,bmse001178,BMET001178
16,covalent,SING,C6,H30,no,N,16,,21826,bmse001178,BMET001178
17,covalent,DOUB,C7,C11,no,Z,17,,21826,bmse001178,BMET001178
18,covalent,SING,C7,H31,no,N,18,,21826,bmse001178,BMET001178
19,covalent,SING,C8,H32,no,N,19,,21826,bmse001178,BMET001178
20,covalent,SING,C8,H33,no,N,20,,21826,bmse001178,BMET001178
21,covalent,SING,C8,H34,no,N,21,,21826,bmse001178,BMET001178
22,covalent,SING,C9,C10,no,N,22,,21826,bmse001178,BMET001178
23,covalent,SING,C9,C13,no,N,23,,21826,bmse001178,BMET001178
24,covalent,SING,C9,H35,no,N,24,,21826,bmse001178,BMET001178
25,covalent,SING,C9,H36,no,N,25,,21826,bmse001178,BMET001178
26,covalent,SING,C10,C14,no,N,26,,21826,bmse001178,BMET001178
27,covalent,SING,C10,H37,no,N,27,,21826,bmse001178,BMET001178
28,covalent,SING,C10,H38,no,N,28,,21826,bmse001178,BMET001178
29,covalent,SING,C11,C12,no,N,29,,21826,bmse001178,BMET001178
30,covalent,SING,C11,H39,no,N,30,,21826,bmse001178,BMET001178
31,covalent,SING,C12,C16,no,N,31,,21826,bmse001178,BMET001178
32,covalent,SING,C12,H40,no,N,32,,21826,bmse001178,BMET001178
33,covalent,SING,C12,H41,no,N,33,,21826,bmse001178,BMET001178
34,covalent,SING,C13,C22,no,N,34,,21826,bmse001178,BMET001178
35,covalent,SING,C13,H42,no,N,35,,21826,bmse001178,BMET001178
36,covalent,SING,C13,H43,no,N,36,,21826,bmse001178,BMET001178
37,covalent,DOUB,C14,C17,no,Z,37,,21826,bmse001178,BMET001178
38,covalent,SING,C14,H44,no,N,38,,21826,bmse001178,BMET001178
39,covalent,SING,C15,C17,no,N,39,,21826,bmse001178,BMET001178
40,covalent,SING,C15,C20,no,N,40,,21826,bmse001178,BMET001178
41,covalent,SING,C15,H45,no,N,41,,21826,bmse001178,BMET001178
42,covalent,SING,C15,H46,no,N,42,,21826,bmse001178,BMET001178
43,covalent,DOUB,C16,C19,no,Z,43,,21826,bmse001178,BMET001178
44,covalent,SING,C16,H48,no,N,44,,21826,bmse001178,BMET001178
45,covalent,SING,C17,H47,no,N,45,,21826,bmse001178,BMET001178
46,covalent,SING,C18,C19,no,N,46,,21826,bmse001178,BMET001178
47,covalent,SING,C18,C21,no,N,47,,21826,bmse001178,BMET001178
48,covalent,SING,C18,H49,no,N,48,,21826,bmse001178,BMET001178
49,covalent,SING,C18,H50,no,N,49,,21826,bmse001178,BMET001178
50,covalent,SING,C19,H51,no,N,50,,21826,bmse001178,BMET001178
51,covalent,DOUB,C20,C21,no,Z,51,,21826,bmse001178,BMET001178
52,covalent,SING,C20,H52,no,N,52,,21826,bmse001178,BMET001178
53,covalent,SING,C21,H53,no,N,53,,21826,bmse001178,BMET001178
1,covalent,SING,C6,O10,no,N,1,,21847,bmse001179,BMET001179
2,covalent,SING,O10,H16,no,N,2,,21847,bmse001179,BMET001179
3,covalent,SING,C5,O9,no,N,3,,21847,bmse001179,BMET001179
4,covalent,SING,O9,H14,no,N,4,,21847,bmse001179,BMET001179
5,covalent,SING,C4,O8,no,N,5,,21847,bmse001179,BMET001179
6,covalent,SING,O8,H15,no,N,6,,21847,bmse001179,BMET001179
7,ester,SING,O11,C7,no,N,7,,21847,bmse001179,BMET001179
8,covalent,SING,O11,H13,no,N,8,,21847,bmse001179,BMET001179
9,carbonyl,DOUB,O12,C7,no,N,9,,21847,bmse001179,BMET001179
10,covalent,SING,C6,C5,no,N,10,,21847,bmse001179,BMET001179
11,covalent,SING,C6,C4,no,N,11,,21847,bmse001179,BMET001179
12,covalent,SING,C6,H21,no,N,12,,21847,bmse001179,BMET001179
13,covalent,SING,C5,C2,no,N,13,,21847,bmse001179,BMET001179
14,covalent,SING,C5,H20,no,N,14,,21847,bmse001179,BMET001179
15,covalent,SING,C4,C1,no,N,15,,21847,bmse001179,BMET001179
16,covalent,SING,C4,H19,no,N,16,,21847,bmse001179,BMET001179
17,covalent,SING,C2,C3,no,N,17,,21847,bmse001179,BMET001179
18,covalent,SING,C2,H22,no,N,18,,21847,bmse001179,BMET001179
19,covalent,SING,C2,H18,no,N,19,,21847,bmse001179,BMET001179
20,covalent,DOUB,C3,C1,no,N,20,,21847,bmse001179,BMET001179
21,covalent,SING,C3,C7,no,N,21,,21847,bmse001179,BMET001179
22,covalent,SING,C1,H17,no,N,22,,21847,bmse001179,BMET001179
1,covalent,SING,O11,C9,no,N,1,,21868,bmse001180,BMET001180
2,covalent,SING,O30,H29,no,N,2,,21868,bmse001180,BMET001180
3,covalent,SING,O30,H31,no,N,3,,21868,bmse001180,BMET001180
4,covalent,SING,C10,C8,no,N,4,,21868,bmse001180,BMET001180
5,covalent,SING,C10,C6,no,N,5,,21868,bmse001180,BMET001180
6,covalent,SING,C10,C5,no,N,6,,21868,bmse001180,BMET001180
7,covalent,SING,C10,C7,no,N,7,,21868,bmse001180,BMET001180
8,covalent,SING,C8,C9,no,N,8,,21868,bmse001180,BMET001180
9,covalent,SING,C8,C6,no,N,9,,21868,bmse001180,BMET001180
10,covalent,SING,C9,C4,no,N,10,,21868,bmse001180,BMET001180
11,covalent,SING,C9,C3,no,N,11,,21868,bmse001180,BMET001180
12,covalent,SING,C5,C4,no,N,12,,21868,bmse001180,BMET001180
13,covalent,SING,C7,C1,no,N,13,,21868,bmse001180,BMET001180
14,covalent,SING,C7,C2,no,N,14,,21868,bmse001180,BMET001180
15,covalent,SING,O11,H32,no,N,15,,21868,bmse001180,BMET001180
16,covalent,SING,C8,H28,no,N,16,,21868,bmse001180,BMET001180
17,covalent,SING,C6,H25,no,N,17,,21868,bmse001180,BMET001180
18,covalent,SING,C6,H26,no,N,18,,21868,bmse001180,BMET001180
19,covalent,SING,C5,H23,no,N,19,,21868,bmse001180,BMET001180
20,covalent,SING,C5,H24,no,N,20,,21868,bmse001180,BMET001180
21,covalent,SING,C7,H27,no,N,21,,21868,bmse001180,BMET001180
22,covalent,SING,C4,H21,no,N,22,,21868,bmse001180,BMET001180
23,covalent,SING,C4,H22,no,N,23,,21868,bmse001180,BMET001180
24,covalent,SING,C3,H19,no,N,24,,21868,bmse001180,BMET001180
25,covalent,SING,C3,H18,no,N,25,,21868,bmse001180,BMET001180
26,covalent,SING,C3,H20,no,N,26,,21868,bmse001180,BMET001180
27,covalent,SING,C1,H12,no,N,27,,21868,bmse001180,BMET001180
28,covalent,SING,C1,H14,no,N,28,,21868,bmse001180,BMET001180
29,covalent,SING,C1,H13,no,N,29,,21868,bmse001180,BMET001180
30,covalent,SING,C2,H15,no,N,30,,21868,bmse001180,BMET001180
31,covalent,SING,C2,H17,no,N,31,,21868,bmse001180,BMET001180
32,covalent,SING,C2,H16,no,N,32,,21868,bmse001180,BMET001180
1,carbonyl,DOUB,O6,C4,no,N,1,,21889,bmse001181,BMET001181
2,covalent,SING,C5,C3,no,N,2,,21889,bmse001181,BMET001181
3,covalent,SING,C5,C1,no,N,3,,21889,bmse001181,BMET001181
4,covalent,SING,C5,C2,no,N,4,,21889,bmse001181,BMET001181
5,covalent,SING,C5,H16,no,N,5,,21889,bmse001181,BMET001181
6,covalent,SING,C3,C4,no,N,6,,21889,bmse001181,BMET001181
7,covalent,SING,C3,H13,no,N,7,,21889,bmse001181,BMET001181
8,covalent,SING,C3,H14,no,N,8,,21889,bmse001181,BMET001181
9,covalent,SING,C1,H9,no,N,9,,21889,bmse001181,BMET001181
10,covalent,SING,C1,H7,no,N,10,,21889,bmse001181,BMET001181
11,covalent,SING,C1,H8,no,N,11,,21889,bmse001181,BMET001181
12,covalent,SING,C2,H11,no,N,12,,21889,bmse001181,BMET001181
13,covalent,SING,C2,H12,no,N,13,,21889,bmse001181,BMET001181
14,covalent,SING,C2,H10,no,N,14,,21889,bmse001181,BMET001181
15,covalent,SING,C4,H15,no,N,15,,21889,bmse001181,BMET001181
1,covalent,SING,N13,C8,no,N,1,,21910,bmse001182,BMET001182
2,covalent,SING,N13,C1,no,N,2,,21910,bmse001182,BMET001182
3,covalent,SING,N13,C2,no,N,3,,21910,bmse001182,BMET001182
4,covalent,AROM,N12,C11,yes,N,4,,21910,bmse001182,BMET001182
5,covalent,AROM,N12,C7,yes,N,5,,21910,bmse001182,BMET001182
6,covalent,SING,N12,H24,no,N,6,,21910,bmse001182,BMET001182
7,covalent,AROM,C9,C10,yes,N,7,,21910,bmse001182,BMET001182
8,covalent,SING,C9,C8,no,N,8,,21910,bmse001182,BMET001182
9,covalent,AROM,C9,C7,yes,N,9,,21910,bmse001182,BMET001182
10,covalent,AROM,C10,C11,yes,N,10,,21910,bmse001182,BMET001182
11,covalent,AROM,C10,C5,yes,N,11,,21910,bmse001182,BMET001182
12,covalent,SING,C8,H27,no,N,12,,21910,bmse001182,BMET001182
13,covalent,SING,C8,H25,no,N,13,,21910,bmse001182,BMET001182
14,covalent,AROM,C11,C6,yes,N,14,,21910,bmse001182,BMET001182
15,covalent,SING,C7,H26,no,N,15,,21910,bmse001182,BMET001182
16,covalent,AROM,C5,C3,yes,N,16,,21910,bmse001182,BMET001182
17,covalent,SING,C5,H22,no,N,17,,21910,bmse001182,BMET001182
18,covalent,AROM,C6,C4,yes,N,18,,21910,bmse001182,BMET001182
19,covalent,SING,C6,H23,no,N,19,,21910,bmse001182,BMET001182
20,covalent,SING,C1,H16,no,N,20,,21910,bmse001182,BMET001182
21,covalent,SING,C1,H17,no,N,21,,21910,bmse001182,BMET001182
22,covalent,SING,C1,H19,no,N,22,,21910,bmse001182,BMET001182
23,covalent,SING,C2,H14,no,N,23,,21910,bmse001182,BMET001182
24,covalent,SING,C2,H15,no,N,24,,21910,bmse001182,BMET001182
25,covalent,SING,C2,H18,no,N,25,,21910,bmse001182,BMET001182
26,covalent,AROM,C3,C4,yes,N,26,,21910,bmse001182,BMET001182
27,covalent,SING,C3,H20,no,N,27,,21910,bmse001182,BMET001182
28,covalent,SING,C4,H21,no,N,28,,21910,bmse001182,BMET001182
1,ester,SING,O19,C15,no,N,1,,21931,bmse001183,BMET001183
2,covalent,SING,O19,H29,no,N,2,,21931,bmse001183,BMET001183
3,carbonyl,DOUB,O20,C15,no,N,3,,21931,bmse001183,BMET001183
4,covalent,SING,O18,C12,no,N,4,,21931,bmse001183,BMET001183
5,covalent,SING,O18,H32,no,N,5,,21931,bmse001183,BMET001183
6,covalent,SING,C14,C16,no,N,6,,21931,bmse001183,BMET001183
7,covalent,SING,C14,C17,no,N,7,,21931,bmse001183,BMET001183
8,covalent,SING,C14,C7,no,N,8,,21931,bmse001183,BMET001183
9,covalent,SING,C14,H42,no,N,9,,21931,bmse001183,BMET001183
10,covalent,SING,C16,C8,no,N,10,,21931,bmse001183,BMET001183
11,covalent,SING,C16,C13,no,N,11,,21931,bmse001183,BMET001183
12,covalent,SING,C16,C1,no,N,12,,21931,bmse001183,BMET001183
13,covalent,SING,C17,C9,no,N,13,,21931,bmse001183,BMET001183
14,covalent,SING,C17,C2,no,N,14,,21931,bmse001183,BMET001183
15,covalent,SING,C17,C15,no,N,15,,21931,bmse001183,BMET001183
16,covalent,SING,C8,C3,no,N,16,,21931,bmse001183,BMET001183
17,covalent,SING,C8,H41,no,N,17,,21931,bmse001183,BMET001183
18,covalent,SING,C8,H40,no,N,18,,21931,bmse001183,BMET001183
19,covalent,SING,C7,C5,no,N,19,,21931,bmse001183,BMET001183
20,covalent,SING,C7,H35,no,N,20,,21931,bmse001183,BMET001183
21,covalent,SING,C7,H36,no,N,21,,21931,bmse001183,BMET001183
22,covalent,SING,C9,C3,no,N,22,,21931,bmse001183,BMET001183
23,covalent,SING,C9,H33,no,N,23,,21931,bmse001183,BMET001183
24,covalent,SING,C9,H34,no,N,24,,21931,bmse001183,BMET001183
25,covalent,SING,C3,H37,no,N,25,,21931,bmse001183,BMET001183
26,covalent,SING,C3,H38,no,N,26,,21931,bmse001183,BMET001183
27,covalent,AROM,C13,C11,yes,N,27,,21931,bmse001183,BMET001183
28,covalent,AROM,C13,C10,yes,N,28,,21931,bmse001183,BMET001183
29,covalent,SING,C1,H27,no,N,29,,21931,bmse001183,BMET001183
30,covalent,SING,C1,H28,no,N,30,,21931,bmse001183,BMET001183
31,covalent,SING,C1,H21,no,N,31,,21931,bmse001183,BMET001183
32,covalent,SING,C5,C11,no,N,32,,21931,bmse001183,BMET001183
33,covalent,SING,C5,H23,no,N,33,,21931,bmse001183,BMET001183
34,covalent,SING,C5,H22,no,N,34,,21931,bmse001183,BMET001183
35,covalent,AROM,C11,C4,yes,N,35,,21931,bmse001183,BMET001183
36,covalent,SING,C2,H30,no,N,36,,21931,bmse001183,BMET001183
37,covalent,SING,C2,H31,no,N,37,,21931,bmse001183,BMET001183
38,covalent,SING,C2,H24,no,N,38,,21931,bmse001183,BMET001183
39,covalent,AROM,C10,C12,yes,N,39,,21931,bmse001183,BMET001183
40,covalent,SING,C10,H26,no,N,40,,21931,bmse001183,BMET001183
41,covalent,AROM,C4,C6,yes,N,41,,21931,bmse001183,BMET001183
42,covalent,SING,C4,H25,no,N,42,,21931,bmse001183,BMET001183
43,covalent,AROM,C12,C6,yes,N,43,,21931,bmse001183,BMET001183
44,covalent,SING,C6,H39,no,N,44,,21931,bmse001183,BMET001183
1,covalent,SING,C28,O46,no,N,1,,21952,bmse001184,BMET001184
2,covalent,SING,C31,O46,no,N,2,,21952,bmse001184,BMET001184
3,covalent,SING,O41,C31,no,N,3,,21952,bmse001184,BMET001184
4,covalent,SING,O41,C12,no,N,4,,21952,bmse001184,BMET001184
5,covalent,SING,O42,C32,no,N,5,,21952,bmse001184,BMET001184
6,covalent,SING,O42,C11,no,N,6,,21952,bmse001184,BMET001184
7,covalent,SING,C32,O44,no,N,7,,21952,bmse001184,BMET001184
8,covalent,SING,O44,C14,no,N,8,,21952,bmse001184,BMET001184
9,covalent,SING,C27,O40,no,N,9,,21952,bmse001184,BMET001184
10,covalent,SING,O40,C4,no,N,10,,21952,bmse001184,BMET001184
11,covalent,SING,C24,O36,no,N,11,,21952,bmse001184,BMET001184
12,covalent,SING,O36,H51,no,N,12,,21952,bmse001184,BMET001184
13,covalent,SING,C25,O37,no,N,13,,21952,bmse001184,BMET001184
14,covalent,SING,O37,H50,no,N,14,,21952,bmse001184,BMET001184
15,covalent,SING,C21,O33,no,N,15,,21952,bmse001184,BMET001184
16,covalent,SING,O33,H54,no,N,16,,21952,bmse001184,BMET001184
17,covalent,SING,C22,O34,no,N,17,,21952,bmse001184,BMET001184
18,covalent,SING,O34,H53,no,N,18,,21952,bmse001184,BMET001184
19,covalent,AROM,O45,C26,yes,N,19,,21952,bmse001184,BMET001184
20,ester,AROM,O45,C29,yes,N,20,,21952,bmse001184,BMET001184
21,covalent,AROM,O43,C15,yes,N,21,,21952,bmse001184,BMET001184
22,ester,AROM,O43,C30,yes,N,22,,21952,bmse001184,BMET001184
23,covalent,SING,O35,C23,no,N,23,,21952,bmse001184,BMET001184
24,covalent,SING,O35,H62,no,N,24,,21952,bmse001184,BMET001184
25,carbonyl,DOUB,O39,C30,no,N,25,,21952,bmse001184,BMET001184
26,carbonyl,DOUB,O38,C29,no,N,26,,21952,bmse001184,BMET001184
27,covalent,SING,C28,C24,no,N,27,,21952,bmse001184,BMET001184
28,covalent,SING,C28,C32,no,N,28,,21952,bmse001184,BMET001184
29,covalent,SING,C28,H77,no,N,29,,21952,bmse001184,BMET001184
30,covalent,SING,C24,C21,no,N,30,,21952,bmse001184,BMET001184
31,covalent,SING,C24,H78,no,N,31,,21952,bmse001184,BMET001184
32,covalent,SING,C31,C25,no,N,32,,21952,bmse001184,BMET001184
33,covalent,SING,C31,H74,no,N,33,,21952,bmse001184,BMET001184
34,covalent,SING,C25,C27,no,N,34,,21952,bmse001184,BMET001184
35,covalent,SING,C25,H75,no,N,35,,21952,bmse001184,BMET001184
36,covalent,SING,C21,C11,no,N,36,,21952,bmse001184,BMET001184
37,covalent,SING,C21,H76,no,N,37,,21952,bmse001184,BMET001184
38,covalent,SING,C27,C22,no,N,38,,21952,bmse001184,BMET001184
39,covalent,SING,C27,H71,no,N,39,,21952,bmse001184,BMET001184
40,covalent,SING,C32,H68,no,N,40,,21952,bmse001184,BMET001184
41,covalent,SING,C22,C12,no,N,41,,21952,bmse001184,BMET001184
42,covalent,SING,C22,H72,no,N,42,,21952,bmse001184,BMET001184
43,covalent,SING,C11,C2,no,N,43,,21952,bmse001184,BMET001184
44,covalent,SING,C11,H69,no,N,44,,21952,bmse001184,BMET001184
45,covalent,SING,C12,C3,no,N,45,,21952,bmse001184,BMET001184
46,covalent,SING,C12,H66,no,N,46,,21952,bmse001184,BMET001184
47,covalent,SING,C2,H70,no,N,47,,21952,bmse001184,BMET001184
48,covalent,SING,C2,H73,no,N,48,,21952,bmse001184,BMET001184
49,covalent,SING,C2,H67,no,N,49,,21952,bmse001184,BMET001184
50,covalent,SING,C3,H64,no,N,50,,21952,bmse001184,BMET001184
51,covalent,SING,C3,H65,no,N,51,,21952,bmse001184,BMET001184
52,covalent,SING,C3,H52,no,N,52,,21952,bmse001184,BMET001184
53,covalent,AROM,C14,C17,yes,N,53,,21952,bmse001184,BMET001184
54,covalent,AROM,C14,C7,yes,N,54,,21952,bmse001184,BMET001184
55,covalent,AROM,C17,C26,yes,N,55,,21952,bmse001184,BMET001184
56,covalent,AROM,C17,C13,yes,N,56,,21952,bmse001184,BMET001184
57,covalent,SING,C4,H55,no,N,57,,21952,bmse001184,BMET001184
58,covalent,SING,C4,H57,no,N,58,,21952,bmse001184,BMET001184
59,covalent,SING,C4,H56,no,N,59,,21952,bmse001184,BMET001184
60,covalent,AROM,C26,C19,yes,N,60,,21952,bmse001184,BMET001184
61,covalent,AROM,C13,C23,yes,N,61,,21952,bmse001184,BMET001184
62,covalent,AROM,C13,C6,yes,N,62,,21952,bmse001184,BMET001184
63,covalent,AROM,C19,C20,yes,N,63,,21952,bmse001184,BMET001184
64,covalent,AROM,C19,C18,yes,N,64,,21952,bmse001184,BMET001184
65,covalent,AROM,C7,C5,yes,N,65,,21952,bmse001184,BMET001184
66,covalent,SING,C7,H58,no,N,66,,21952,bmse001184,BMET001184
67,covalent,AROM,C20,C23,yes,N,67,,21952,bmse001184,BMET001184
68,covalent,AROM,C20,C30,yes,N,68,,21952,bmse001184,BMET001184
69,covalent,AROM,C18,C16,yes,N,69,,21952,bmse001184,BMET001184
70,covalent,AROM,C18,C15,yes,N,70,,21952,bmse001184,BMET001184
71,covalent,AROM,C6,C5,yes,N,71,,21952,bmse001184,BMET001184
72,covalent,SING,C6,H61,no,N,72,,21952,bmse001184,BMET001184
73,covalent,AROM,C16,C29,yes,N,73,,21952,bmse001184,BMET001184
74,covalent,AROM,C16,C10,yes,N,74,,21952,bmse001184,BMET001184
75,covalent,SING,C5,H60,no,N,75,,21952,bmse001184,BMET001184
76,covalent,AROM,C15,C9,yes,N,76,,21952,bmse001184,BMET001184
77,covalent,AROM,C10,C8,yes,N,77,,21952,bmse001184,BMET001184
78,covalent,SING,C10,C1,no,N,78,,21952,bmse001184,BMET001184
79,covalent,AROM,C9,C8,yes,N,79,,21952,bmse001184,BMET001184
80,covalent,SING,C9,H59,no,N,80,,21952,bmse001184,BMET001184
81,covalent,SING,C8,H63,no,N,81,,21952,bmse001184,BMET001184
82,covalent,SING,C1,H48,no,N,82,,21952,bmse001184,BMET001184
83,covalent,SING,C1,H49,no,N,83,,21952,bmse001184,BMET001184
84,covalent,SING,C1,H47,no,N,84,,21952,bmse001184,BMET001184
1,covalent,SING,O11,C10,no,N,1,,21973,bmse001185,BMET001185
2,covalent,SING,O11,C9,no,N,2,,21973,bmse001185,BMET001185
3,covalent,SING,C8,C9,no,N,3,,21973,bmse001185,BMET001185
4,covalent,SING,C8,C4,no,N,4,,21973,bmse001185,BMET001185
5,covalent,SING,C8,C5,no,N,5,,21973,bmse001185,BMET001185
6,covalent,SING,C8,H29,no,N,6,,21973,bmse001185,BMET001185
7,covalent,SING,C10,C6,no,N,7,,21973,bmse001185,BMET001185
8,covalent,SING,C10,C7,no,N,8,,21973,bmse001185,BMET001185
9,covalent,SING,C10,C3,no,N,9,,21973,bmse001185,BMET001185
10,covalent,SING,C9,C1,no,N,10,,21973,bmse001185,BMET001185
11,covalent,SING,C9,C2,no,N,11,,21973,bmse001185,BMET001185
12,covalent,SING,C4,C6,no,N,12,,21973,bmse001185,BMET001185
13,covalent,SING,C4,H21,no,N,13,,21973,bmse001185,BMET001185
14,covalent,SING,C4,H24,no,N,14,,21973,bmse001185,BMET001185
15,covalent,SING,C5,C7,no,N,15,,21973,bmse001185,BMET001185
16,covalent,SING,C5,H22,no,N,16,,21973,bmse001185,BMET001185
17,covalent,SING,C5,H23,no,N,17,,21973,bmse001185,BMET001185
18,covalent,SING,C6,H27,no,N,18,,21973,bmse001185,BMET001185
19,covalent,SING,C6,H28,no,N,19,,21973,bmse001185,BMET001185
20,covalent,SING,C7,H25,no,N,20,,21973,bmse001185,BMET001185
21,covalent,SING,C7,H26,no,N,21,,21973,bmse001185,BMET001185
22,covalent,SING,C3,H19,no,N,22,,21973,bmse001185,BMET001185
23,covalent,SING,C3,H18,no,N,23,,21973,bmse001185,BMET001185
24,covalent,SING,C3,H20,no,N,24,,21973,bmse001185,BMET001185
25,covalent,SING,C1,H14,no,N,25,,21973,bmse001185,BMET001185
26,covalent,SING,C1,H12,no,N,26,,21973,bmse001185,BMET001185
27,covalent,SING,C1,H13,no,N,27,,21973,bmse001185,BMET001185
28,covalent,SING,C2,H15,no,N,28,,21973,bmse001185,BMET001185
29,covalent,SING,C2,H17,no,N,29,,21973,bmse001185,BMET001185
30,covalent,SING,C2,H16,no,N,30,,21973,bmse001185,BMET001185
1,covalent,SING,C10,C8,no,N,1,,21994,bmse001186,BMET001186
2,covalent,SING,C10,C7,no,N,2,,21994,bmse001186,BMET001186
3,covalent,SING,C10,C6,no,N,3,,21994,bmse001186,BMET001186
4,covalent,SING,C10,H26,no,N,4,,21994,bmse001186,BMET001186
5,covalent,SING,C8,C1,no,N,5,,21994,bmse001186,BMET001186
6,covalent,SING,C8,C2,no,N,6,,21994,bmse001186,BMET001186
7,covalent,SING,C8,H25,no,N,7,,21994,bmse001186,BMET001186
8,covalent,SING,C7,C5,no,N,8,,21994,bmse001186,BMET001186
9,covalent,SING,C7,H23,no,N,9,,21994,bmse001186,BMET001186
10,covalent,SING,C7,H24,no,N,10,,21994,bmse001186,BMET001186
11,covalent,DOUB,C6,C4,no,N,11,,21994,bmse001186,BMET001186
12,covalent,SING,C6,H22,no,N,12,,21994,bmse001186,BMET001186
13,covalent,SING,C1,H12,no,N,13,,21994,bmse001186,BMET001186
14,covalent,SING,C1,H13,no,N,14,,21994,bmse001186,BMET001186
15,covalent,SING,C1,H11,no,N,15,,21994,bmse001186,BMET001186
16,covalent,SING,C2,H16,no,N,16,,21994,bmse001186,BMET001186
17,covalent,SING,C2,H14,no,N,17,,21994,bmse001186,BMET001186
18,covalent,SING,C2,H15,no,N,18,,21994,bmse001186,BMET001186
19,covalent,DOUB,C5,C9,no,N,19,,21994,bmse001186,BMET001186
20,covalent,SING,C5,H21,no,N,20,,21994,bmse001186,BMET001186
21,covalent,SING,C9,C4,no,N,21,,21994,bmse001186,BMET001186
22,covalent,SING,C9,C3,no,N,22,,21994,bmse001186,BMET001186
23,covalent,SING,C4,H20,no,N,23,,21994,bmse001186,BMET001186
24,covalent,SING,C3,H17,no,N,24,,21994,bmse001186,BMET001186
25,covalent,SING,C3,H18,no,N,25,,21994,bmse001186,BMET001186
26,covalent,SING,C3,H19,no,N,26,,21994,bmse001186,BMET001186
1,carbonyl,DOUB,O14,C11,no,N,1,,22015,bmse001187,BMET001187
2,carbonyl,DOUB,O13,C9,no,N,2,,22015,bmse001187,BMET001187
3,covalent,SING,O12,C8,no,N,3,,22015,bmse001187,BMET001187
4,covalent,AROM,C10,C7,yes,N,4,,22015,bmse001187,BMET001187
5,covalent,SING,C10,C9,no,N,5,,22015,bmse001187,BMET001187
6,covalent,AROM,C10,C8,yes,N,6,,22015,bmse001187,BMET001187
7,covalent,SING,C7,C11,no,N,7,,22015,bmse001187,BMET001187
8,covalent,AROM,C7,C3,yes,N,8,,22015,bmse001187,BMET001187
9,covalent,SING,C11,C6,no,N,9,,22015,bmse001187,BMET001187
10,covalent,SING,C9,C5,no,N,10,,22015,bmse001187,BMET001187
11,covalent,AROM,C8,C4,yes,N,11,,22015,bmse001187,BMET001187
12,covalent,DOUB,C6,C5,no,N,12,,22015,bmse001187,BMET001187
13,covalent,SING,C6,C1,no,N,13,,22015,bmse001187,BMET001187
14,covalent,AROM,C3,C2,yes,N,14,,22015,bmse001187,BMET001187
15,covalent,AROM,C4,C2,yes,N,15,,22015,bmse001187,BMET001187
16,covalent,SING,O12,H22,no,N,16,,22015,bmse001187,BMET001187
17,covalent,SING,C5,H21,no,N,17,,22015,bmse001187,BMET001187
18,covalent,SING,C3,H19,no,N,18,,22015,bmse001187,BMET001187
19,covalent,SING,C4,H20,no,N,19,,22015,bmse001187,BMET001187
20,covalent,SING,C2,H18,no,N,20,,22015,bmse001187,BMET001187
21,covalent,SING,C1,H15,no,N,21,,22015,bmse001187,BMET001187
22,covalent,SING,C1,H17,no,N,22,,22015,bmse001187,BMET001187
23,covalent,SING,C1,H16,no,N,23,,22015,bmse001187,BMET001187
1,covalent,SING,O20,C18,no,N,1,,22036,bmse001188,BMET001188
2,covalent,SING,O20,H26,no,N,2,,22036,bmse001188,BMET001188
3,covalent,SING,O19,C17,no,N,3,,22036,bmse001188,BMET001188
4,covalent,SING,O19,H25,no,N,4,,22036,bmse001188,BMET001188
5,covalent,SING,C16,C14,no,N,5,,22036,bmse001188,BMET001188
6,covalent,AROM,C16,C11,yes,N,6,,22036,bmse001188,BMET001188
7,covalent,AROM,C16,C18,yes,N,7,,22036,bmse001188,BMET001188
8,covalent,AROM,C14,C12,yes,N,8,,22036,bmse001188,BMET001188
9,covalent,AROM,C14,C8,yes,N,9,,22036,bmse001188,BMET001188
10,covalent,AROM,C15,C12,yes,N,10,,22036,bmse001188,BMET001188
11,covalent,AROM,C15,C17,yes,N,11,,22036,bmse001188,BMET001188
12,covalent,SING,C15,C6,no,N,12,,22036,bmse001188,BMET001188
13,covalent,SING,C12,H38,no,N,13,,22036,bmse001188,BMET001188
14,covalent,AROM,C13,C11,yes,N,14,,22036,bmse001188,BMET001188
15,covalent,SING,C13,C5,no,N,15,,22036,bmse001188,BMET001188
16,covalent,AROM,C13,C7,yes,N,16,,22036,bmse001188,BMET001188
17,covalent,SING,C11,H37,no,N,17,,22036,bmse001188,BMET001188
18,covalent,AROM,C18,C9,yes,N,18,,22036,bmse001188,BMET001188
19,covalent,AROM,C8,C10,yes,N,19,,22036,bmse001188,BMET001188
20,covalent,SING,C8,H36,no,N,20,,22036,bmse001188,BMET001188
21,covalent,AROM,C17,C10,yes,N,21,,22036,bmse001188,BMET001188
22,covalent,SING,C6,C4,no,N,22,,22036,bmse001188,BMET001188
23,covalent,SING,C6,H35,no,N,23,,22036,bmse001188,BMET001188
24,covalent,SING,C6,H32,no,N,24,,22036,bmse001188,BMET001188
25,covalent,SING,C5,C3,no,N,25,,22036,bmse001188,BMET001188
26,covalent,SING,C5,H29,no,N,26,,22036,bmse001188,BMET001188
27,covalent,SING,C5,H30,no,N,27,,22036,bmse001188,BMET001188
28,covalent,AROM,C7,C9,yes,N,28,,22036,bmse001188,BMET001188
29,covalent,SING,C7,H27,no,N,29,,22036,bmse001188,BMET001188
30,covalent,SING,C10,H28,no,N,30,,22036,bmse001188,BMET001188
31,covalent,SING,C9,H31,no,N,31,,22036,bmse001188,BMET001188
32,covalent,DOUB,C4,C2,no,N,32,,22036,bmse001188,BMET001188
33,covalent,SING,C4,H34,no,N,33,,22036,bmse001188,BMET001188
34,covalent,DOUB,C3,C1,no,N,34,,22036,bmse001188,BMET001188
35,covalent,SING,C3,H33,no,N,35,,22036,bmse001188,BMET001188
36,covalent,SING,C2,H23,no,N,36,,22036,bmse001188,BMET001188
37,covalent,SING,C2,H24,no,N,37,,22036,bmse001188,BMET001188
38,covalent,SING,C1,H21,no,N,38,,22036,bmse001188,BMET001188
39,covalent,SING,C1,H22,no,N,39,,22036,bmse001188,BMET001188
1,covalent,SING,O19,C17,no,N,1,,22057,bmse001189,BMET001189
2,covalent,SING,O19,H25,no,N,2,,22057,bmse001189,BMET001189
3,covalent,SING,O20,C18,no,N,3,,22057,bmse001189,BMET001189
4,covalent,SING,O20,H26,no,N,4,,22057,bmse001189,BMET001189
5,covalent,SING,C16,C15,no,N,5,,22057,bmse001189,BMET001189
6,covalent,AROM,C16,C12,yes,N,6,,22057,bmse001189,BMET001189
7,covalent,AROM,C16,C18,yes,N,7,,22057,bmse001189,BMET001189
8,covalent,AROM,C15,C11,yes,N,8,,22057,bmse001189,BMET001189
9,covalent,AROM,C15,C17,yes,N,9,,22057,bmse001189,BMET001189
10,covalent,AROM,C14,C12,yes,N,10,,22057,bmse001189,BMET001189
11,covalent,SING,C14,C6,no,N,11,,22057,bmse001189,BMET001189
12,covalent,AROM,C14,C8,yes,N,12,,22057,bmse001189,BMET001189
13,covalent,AROM,C13,C11,yes,N,13,,22057,bmse001189,BMET001189
14,covalent,SING,C13,C5,no,N,14,,22057,bmse001189,BMET001189
15,covalent,AROM,C13,C7,yes,N,15,,22057,bmse001189,BMET001189
16,covalent,SING,C12,H37,no,N,16,,22057,bmse001189,BMET001189
17,covalent,SING,C11,H38,no,N,17,,22057,bmse001189,BMET001189
18,covalent,AROM,C18,C10,yes,N,18,,22057,bmse001189,BMET001189
19,covalent,AROM,C17,C9,yes,N,19,,22057,bmse001189,BMET001189
20,covalent,SING,C5,C3,no,N,20,,22057,bmse001189,BMET001189
21,covalent,SING,C5,H27,no,N,21,,22057,bmse001189,BMET001189
22,covalent,SING,C5,H28,no,N,22,,22057,bmse001189,BMET001189
23,covalent,SING,C6,C4,no,N,23,,22057,bmse001189,BMET001189
24,covalent,SING,C6,H36,no,N,24,,22057,bmse001189,BMET001189
25,covalent,SING,C6,H35,no,N,25,,22057,bmse001189,BMET001189
26,covalent,AROM,C7,C9,yes,N,26,,22057,bmse001189,BMET001189
27,covalent,SING,C7,H30,no,N,27,,22057,bmse001189,BMET001189
28,covalent,AROM,C8,C10,yes,N,28,,22057,bmse001189,BMET001189
29,covalent,SING,C8,H29,no,N,29,,22057,bmse001189,BMET001189
30,covalent,SING,C9,H32,no,N,30,,22057,bmse001189,BMET001189
31,covalent,SING,C10,H31,no,N,31,,22057,bmse001189,BMET001189
32,covalent,DOUB,C3,C1,no,N,32,,22057,bmse001189,BMET001189
33,covalent,SING,C3,H34,no,N,33,,22057,bmse001189,BMET001189
34,covalent,DOUB,C4,C2,no,N,34,,22057,bmse001189,BMET001189
35,covalent,SING,C4,H33,no,N,35,,22057,bmse001189,BMET001189
36,covalent,SING,C1,H21,no,N,36,,22057,bmse001189,BMET001189
37,covalent,SING,C1,H22,no,N,37,,22057,bmse001189,BMET001189
38,covalent,SING,C2,H23,no,N,38,,22057,bmse001189,BMET001189
39,covalent,SING,C2,H24,no,N,39,,22057,bmse001189,BMET001189
1,covalent,AROM,O22,C11,yes,N,1,,22078,bmse001190,BMET001190
2,ester,AROM,O22,C14,yes,N,2,,22078,bmse001190,BMET001190
3,covalent,AROM,O21,C12,yes,N,3,,22078,bmse001190,BMET001190
4,ester,AROM,O21,C13,yes,N,4,,22078,bmse001190,BMET001190
5,covalent,SING,O17,C9,no,N,5,,22078,bmse001190,BMET001190
6,covalent,SING,O17,H26,no,N,6,,22078,bmse001190,BMET001190
7,covalent,SING,O18,C10,no,N,7,,22078,bmse001190,BMET001190
8,covalent,SING,O18,H25,no,N,8,,22078,bmse001190,BMET001190
9,covalent,SING,O15,C5,no,N,9,,22078,bmse001190,BMET001190
10,covalent,SING,O15,H24,no,N,10,,22078,bmse001190,BMET001190
11,covalent,SING,O16,C6,no,N,11,,22078,bmse001190,BMET001190
12,covalent,SING,O16,H23,no,N,12,,22078,bmse001190,BMET001190
13,carbonyl,DOUB,O19,C13,no,N,13,,22078,bmse001190,BMET001190
14,carbonyl,DOUB,O20,C14,no,N,14,,22078,bmse001190,BMET001190
15,covalent,AROM,C7,C8,yes,N,15,,22078,bmse001190,BMET001190
16,covalent,AROM,C7,C3,yes,N,16,,22078,bmse001190,BMET001190
17,covalent,AROM,C7,C11,yes,N,17,,22078,bmse001190,BMET001190
18,covalent,AROM,C8,C4,yes,N,18,,22078,bmse001190,BMET001190
19,covalent,AROM,C8,C12,yes,N,19,,22078,bmse001190,BMET001190
20,covalent,AROM,C3,C1,yes,N,20,,22078,bmse001190,BMET001190
21,covalent,AROM,C3,C13,yes,N,21,,22078,bmse001190,BMET001190
22,covalent,AROM,C4,C2,yes,N,22,,22078,bmse001190,BMET001190
23,covalent,AROM,C4,C14,yes,N,23,,22078,bmse001190,BMET001190
24,covalent,AROM,C12,C10,yes,N,24,,22078,bmse001190,BMET001190
25,covalent,AROM,C11,C9,yes,N,25,,22078,bmse001190,BMET001190
26,covalent,AROM,C10,C6,yes,N,26,,22078,bmse001190,BMET001190
27,covalent,AROM,C9,C5,yes,N,27,,22078,bmse001190,BMET001190
28,covalent,AROM,C1,C5,yes,N,28,,22078,bmse001190,BMET001190
29,covalent,SING,C1,H28,no,N,29,,22078,bmse001190,BMET001190
30,covalent,AROM,C2,C6,yes,N,30,,22078,bmse001190,BMET001190
31,covalent,SING,C2,H27,no,N,31,,22078,bmse001190,BMET001190
1,covalent,AROM,O8,C5,yes,N,1,,22099,bmse001191,BMET001191
2,covalent,AROM,O8,C6,yes,N,2,,22099,bmse001191,BMET001191
3,carbonyl,DOUB,O7,C4,no,N,3,,22099,bmse001191,BMET001191
4,covalent,AROM,C5,C2,yes,N,4,,22099,bmse001191,BMET001191
5,covalent,SING,C5,C1,no,N,5,,22099,bmse001191,BMET001191
6,covalent,AROM,C2,C3,yes,N,6,,22099,bmse001191,BMET001191
7,covalent,SING,C2,H12,no,N,7,,22099,bmse001191,BMET001191
8,covalent,AROM,C6,C3,yes,N,8,,22099,bmse001191,BMET001191
9,covalent,SING,C6,C4,no,N,9,,22099,bmse001191,BMET001191
10,covalent,SING,C3,H13,no,N,10,,22099,bmse001191,BMET001191
11,covalent,SING,C1,H11,no,N,11,,22099,bmse001191,BMET001191
12,covalent,SING,C1,H9,no,N,12,,22099,bmse001191,BMET001191
13,covalent,SING,C1,H10,no,N,13,,22099,bmse001191,BMET001191
14,covalent,SING,C4,H14,no,N,14,,22099,bmse001191,BMET001191
1,covalent,SING,Cl15,C9,no,N,1,,22120,bmse001192,BMET001192
2,covalent,SING,Cl14,C8,no,N,2,,22120,bmse001192,BMET001192
3,covalent,SING,Cl13,C7,no,N,3,,22120,bmse001192,BMET001192
4,covalent,SING,O17,C12,no,N,4,,22120,bmse001192,BMET001192
5,covalent,SING,O17,C11,no,N,5,,22120,bmse001192,BMET001192
6,covalent,SING,O16,C10,no,N,6,,22120,bmse001192,BMET001192
7,covalent,SING,O16,H18,no,N,7,,22120,bmse001192,BMET001192
8,covalent,AROM,C12,C10,yes,N,8,,22120,bmse001192,BMET001192
9,covalent,AROM,C12,C4,yes,N,9,,22120,bmse001192,BMET001192
10,covalent,AROM,C11,C9,yes,N,10,,22120,bmse001192,BMET001192
11,covalent,AROM,C11,C3,yes,N,11,,22120,bmse001192,BMET001192
12,covalent,AROM,C10,C6,yes,N,12,,22120,bmse001192,BMET001192
13,covalent,AROM,C4,C2,yes,N,13,,22120,bmse001192,BMET001192
14,covalent,SING,C4,H24,no,N,14,,22120,bmse001192,BMET001192
15,covalent,AROM,C9,C5,yes,N,15,,22120,bmse001192,BMET001192
16,covalent,AROM,C3,C1,yes,N,16,,22120,bmse001192,BMET001192
17,covalent,SING,C3,H21,no,N,17,,22120,bmse001192,BMET001192
18,covalent,AROM,C6,C8,yes,N,18,,22120,bmse001192,BMET001192
19,covalent,SING,C6,H20,no,N,19,,22120,bmse001192,BMET001192
20,covalent,AROM,C2,C8,yes,N,20,,22120,bmse001192,BMET001192
21,covalent,SING,C2,H23,no,N,21,,22120,bmse001192,BMET001192
22,covalent,AROM,C5,C7,yes,N,22,,22120,bmse001192,BMET001192
23,covalent,SING,C5,H19,no,N,23,,22120,bmse001192,BMET001192
24,covalent,AROM,C1,C7,yes,N,24,,22120,bmse001192,BMET001192
25,covalent,SING,C1,H22,no,N,25,,22120,bmse001192,BMET001192
1,covalent,SING,O25,C19,no,N,1,,22141,bmse001193,BMET001193
2,covalent,SING,O25,C11,no,N,2,,22141,bmse001193,BMET001193
3,covalent,SING,O24,C18,no,N,3,,22141,bmse001193,BMET001193
4,covalent,SING,O24,C11,no,N,4,,22141,bmse001193,BMET001193
5,covalent,SING,O23,C20,no,N,5,,22141,bmse001193,BMET001193
6,covalent,SING,O23,C2,no,N,6,,22141,bmse001193,BMET001193
7,covalent,SING,O22,C17,no,N,7,,22141,bmse001193,BMET001193
8,covalent,SING,O22,C1,no,N,8,,22141,bmse001193,BMET001193
9,covalent,AROM,N21,C16,yes,N,9,,22141,bmse001193,BMET001193
10,covalent,AROM,N21,C10,yes,N,10,,22141,bmse001193,BMET001193
11,covalent,SING,N21,C6,no,N,11,,22141,bmse001193,BMET001193
12,covalent,SING,C16,C14,no,N,12,,22141,bmse001193,BMET001193
13,covalent,AROM,C16,C7,yes,N,13,,22141,bmse001193,BMET001193
14,covalent,AROM,C14,C13,yes,N,14,,22141,bmse001193,BMET001193
15,covalent,AROM,C14,C9,yes,N,15,,22141,bmse001193,BMET001193
16,covalent,AROM,C13,C8,yes,N,16,,22141,bmse001193,BMET001193
17,covalent,SING,C13,C5,no,N,17,,22141,bmse001193,BMET001193
18,covalent,AROM,C15,C12,yes,N,18,,22141,bmse001193,BMET001193
19,covalent,AROM,C15,C10,yes,N,19,,22141,bmse001193,BMET001193
20,covalent,AROM,C15,C20,yes,N,20,,22141,bmse001193,BMET001193
21,covalent,AROM,C12,C7,yes,N,21,,22141,bmse001193,BMET001193
22,covalent,AROM,C12,C3,yes,N,22,,22141,bmse001193,BMET001193
23,covalent,AROM,C19,C9,yes,N,23,,22141,bmse001193,BMET001193
24,covalent,AROM,C19,C18,yes,N,24,,22141,bmse001193,BMET001193
25,covalent,AROM,C20,C17,yes,N,25,,22141,bmse001193,BMET001193
26,covalent,AROM,C18,C8,yes,N,26,,22141,bmse001193,BMET001193
27,covalent,SING,C6,C5,no,N,27,,22141,bmse001193,BMET001193
28,covalent,AROM,C17,C4,yes,N,28,,22141,bmse001193,BMET001193
29,covalent,AROM,C3,C4,yes,N,29,,22141,bmse001193,BMET001193
30,covalent,SING,C7,H38,no,N,30,,22141,bmse001193,BMET001193
31,covalent,SING,C10,H41,no,N,31,,22141,bmse001193,BMET001193
32,covalent,SING,C9,H40,no,N,32,,22141,bmse001193,BMET001193
33,covalent,SING,C8,H39,no,N,33,,22141,bmse001193,BMET001193
34,covalent,SING,C6,H36,no,N,34,,22141,bmse001193,BMET001193
35,covalent,SING,C6,H37,no,N,35,,22141,bmse001193,BMET001193
36,covalent,SING,C5,H34,no,N,36,,22141,bmse001193,BMET001193
37,covalent,SING,C5,H35,no,N,37,,22141,bmse001193,BMET001193
38,covalent,SING,C3,H32,no,N,38,,22141,bmse001193,BMET001193
39,covalent,SING,C4,H33,no,N,39,,22141,bmse001193,BMET001193
40,covalent,SING,C11,H42,no,N,40,,22141,bmse001193,BMET001193
41,covalent,SING,C11,H43,no,N,41,,22141,bmse001193,BMET001193
42,covalent,SING,C2,H31,no,N,42,,22141,bmse001193,BMET001193
43,covalent,SING,C2,H30,no,N,43,,22141,bmse001193,BMET001193
44,covalent,SING,C2,H29,no,N,44,,22141,bmse001193,BMET001193
45,covalent,SING,C1,H27,no,N,45,,22141,bmse001193,BMET001193
46,covalent,SING,C1,H28,no,N,46,,22141,bmse001193,BMET001193
47,covalent,SING,C1,H26,no,N,47,,22141,bmse001193,BMET001193
1,ester,SING,O11,C8,no,N,1,,22162,bmse001194,BMET001194
2,covalent,SING,O11,C1,no,N,2,,22162,bmse001194,BMET001194
3,covalent,SING,O9,C7,no,N,3,,22162,bmse001194,BMET001194
4,covalent,SING,O9,H12,no,N,4,,22162,bmse001194,BMET001194
5,carbonyl,DOUB,O10,C8,no,N,5,,22162,bmse001194,BMET001194
6,covalent,AROM,C6,C2,yes,N,6,,22162,bmse001194,BMET001194
7,covalent,AROM,C6,C3,yes,N,7,,22162,bmse001194,BMET001194
8,covalent,SING,C6,C8,no,N,8,,22162,bmse001194,BMET001194
9,covalent,AROM,C2,C4,yes,N,9,,22162,bmse001194,BMET001194
10,covalent,SING,C2,H19,no,N,10,,22162,bmse001194,BMET001194
11,covalent,AROM,C3,C5,yes,N,11,,22162,bmse001194,BMET001194
12,covalent,SING,C3,H15,no,N,12,,22162,bmse001194,BMET001194
13,covalent,AROM,C4,C7,yes,N,13,,22162,bmse001194,BMET001194
14,covalent,SING,C4,H16,no,N,14,,22162,bmse001194,BMET001194
15,covalent,AROM,C5,C7,yes,N,15,,22162,bmse001194,BMET001194
16,covalent,SING,C5,H17,no,N,16,,22162,bmse001194,BMET001194
17,covalent,SING,C1,H18,no,N,17,,22162,bmse001194,BMET001194
18,covalent,SING,C1,H13,no,N,18,,22162,bmse001194,BMET001194
19,covalent,SING,C1,H14,no,N,19,,22162,bmse001194,BMET001194
1,covalent,SING,O10,C9,no,N,1,,22183,bmse001195,BMET001195
2,covalent,SING,O10,H13,no,N,2,,22183,bmse001195,BMET001195
3,covalent,SING,C8,C5,no,N,3,,22183,bmse001195,BMET001195
4,covalent,AROM,C8,C9,yes,N,4,,22183,bmse001195,BMET001195
5,covalent,AROM,C8,C6,yes,N,5,,22183,bmse001195,BMET001195
6,covalent,SING,C5,C2,no,N,6,,22183,bmse001195,BMET001195
7,covalent,SING,C5,H20,no,N,7,,22183,bmse001195,BMET001195
8,covalent,SING,C5,H16,no,N,8,,22183,bmse001195,BMET001195
9,covalent,AROM,C9,C7,yes,N,9,,22183,bmse001195,BMET001195
10,covalent,AROM,C6,C3,yes,N,10,,22183,bmse001195,BMET001195
11,covalent,SING,C6,H17,no,N,11,,22183,bmse001195,BMET001195
12,covalent,AROM,C7,C4,yes,N,12,,22183,bmse001195,BMET001195
13,covalent,SING,C7,H18,no,N,13,,22183,bmse001195,BMET001195
14,covalent,AROM,C3,C4,yes,N,14,,22183,bmse001195,BMET001195
15,covalent,SING,C3,H19,no,N,15,,22183,bmse001195,BMET001195
16,covalent,SING,C4,H14,no,N,16,,22183,bmse001195,BMET001195
17,covalent,DOUB,C2,C1,no,N,17,,22183,bmse001195,BMET001195
18,covalent,SING,C2,H15,no,N,18,,22183,bmse001195,BMET001195
19,covalent,SING,C1,H11,no,N,19,,22183,bmse001195,BMET001195
20,covalent,SING,C1,H12,no,N,20,,22183,bmse001195,BMET001195
1,covalent,AROM,O10,C4,yes,N,1,,22204,bmse001196,BMET001196
2,covalent,AROM,O10,C3,yes,N,2,,22204,bmse001196,BMET001196
3,covalent,SING,O7,C2,no,N,3,,22204,bmse001196,BMET001196
4,covalent,SING,O7,H13,no,N,4,,22204,bmse001196,BMET001196
5,covalent,SING,O9,C6,no,N,5,,22204,bmse001196,BMET001196
6,covalent,SING,O9,H14,no,N,6,,22204,bmse001196,BMET001196
7,carbonyl,DOUB,O8,C5,no,N,7,,22204,bmse001196,BMET001196
8,covalent,AROM,C4,C1,yes,N,8,,22204,bmse001196,BMET001196
9,covalent,SING,C4,C2,no,N,9,,22204,bmse001196,BMET001196
10,covalent,AROM,C1,C5,yes,N,10,,22204,bmse001196,BMET001196
11,covalent,SING,C1,H15,no,N,11,,22204,bmse001196,BMET001196
12,covalent,SING,C2,H16,no,N,12,,22204,bmse001196,BMET001196
13,covalent,SING,C2,H11,no,N,13,,22204,bmse001196,BMET001196
14,covalent,AROM,C5,C6,yes,N,14,,22204,bmse001196,BMET001196
15,covalent,AROM,C6,C3,yes,N,15,,22204,bmse001196,BMET001196
16,covalent,SING,C3,H12,no,N,16,,22204,bmse001196,BMET001196
1,covalent,SING,O23,C8,no,N,1,,22225,bmse001197,BMET001197
2,ester,SING,O23,C17,no,N,2,,22225,bmse001197,BMET001197
3,covalent,SING,O22,C16,no,N,3,,22225,bmse001197,BMET001197
4,covalent,SING,O22,C3,no,N,4,,22225,bmse001197,BMET001197
5,covalent,SING,O20,C15,no,N,5,,22225,bmse001197,BMET001197
6,covalent,SING,O20,H25,no,N,6,,22225,bmse001197,BMET001197
7,carbonyl,DOUB,O21,C17,no,N,7,,22225,bmse001197,BMET001197
8,ester,SING,O18,C13,no,N,8,,22225,bmse001197,BMET001197
9,covalent,SING,O18,H31,no,N,9,,22225,bmse001197,BMET001197
10,carbonyl,DOUB,O19,C13,no,N,10,,22225,bmse001197,BMET001197
11,covalent,AROM,C12,C14,yes,N,11,,22225,bmse001197,BMET001197
12,covalent,AROM,C12,C10,yes,N,12,,22225,bmse001197,BMET001197
13,covalent,SING,C12,C8,no,N,13,,22225,bmse001197,BMET001197
14,covalent,AROM,C11,C16,yes,N,14,,22225,bmse001197,BMET001197
15,covalent,AROM,C11,C15,yes,N,15,,22225,bmse001197,BMET001197
16,covalent,SING,C11,C6,no,N,16,,22225,bmse001197,BMET001197
17,covalent,AROM,C14,C15,yes,N,17,,22225,bmse001197,BMET001197
18,covalent,SING,C14,C17,no,N,18,,22225,bmse001197,BMET001197
19,covalent,AROM,C10,C16,yes,N,19,,22225,bmse001197,BMET001197
20,covalent,SING,C10,C2,no,N,20,,22225,bmse001197,BMET001197
21,covalent,SING,C6,C4,no,N,21,,22225,bmse001197,BMET001197
22,covalent,SING,C6,H43,no,N,22,,22225,bmse001197,BMET001197
23,covalent,SING,C6,H42,no,N,23,,22225,bmse001197,BMET001197
24,covalent,SING,C8,H36,no,N,24,,22225,bmse001197,BMET001197
25,covalent,SING,C8,H37,no,N,25,,22225,bmse001197,BMET001197
26,covalent,DOUB,C4,C9,no,E,26,,22225,bmse001197,BMET001197
27,covalent,SING,C4,H40,no,N,27,,22225,bmse001197,BMET001197
28,covalent,SING,C2,H41,no,N,28,,22225,bmse001197,BMET001197
29,covalent,SING,C2,H33,no,N,29,,22225,bmse001197,BMET001197
30,covalent,SING,C2,H27,no,N,30,,22225,bmse001197,BMET001197
31,covalent,SING,C9,C5,no,N,31,,22225,bmse001197,BMET001197
32,covalent,SING,C9,C1,no,N,32,,22225,bmse001197,BMET001197
33,covalent,SING,C5,C7,no,N,33,,22225,bmse001197,BMET001197
34,covalent,SING,C5,H28,no,N,34,,22225,bmse001197,BMET001197
35,covalent,SING,C5,H29,no,N,35,,22225,bmse001197,BMET001197
36,covalent,SING,C7,C13,no,N,36,,22225,bmse001197,BMET001197
37,covalent,SING,C7,H34,no,N,37,,22225,bmse001197,BMET001197
38,covalent,SING,C7,H35,no,N,38,,22225,bmse001197,BMET001197
39,covalent,SING,C1,H38,no,N,39,,22225,bmse001197,BMET001197
40,covalent,SING,C1,H39,no,N,40,,22225,bmse001197,BMET001197
41,covalent,SING,C1,H26,no,N,41,,22225,bmse001197,BMET001197
42,covalent,SING,C3,H24,no,N,42,,22225,bmse001197,BMET001197
43,covalent,SING,C3,H32,no,N,43,,22225,bmse001197,BMET001197
44,covalent,SING,C3,H30,no,N,44,,22225,bmse001197,BMET001197
1,covalent,AROM,C12,C11,yes,N,1,,22246,bmse001198,BMET001198
2,covalent,AROM,C12,C10,yes,N,2,,22246,bmse001198,BMET001198
3,covalent,AROM,C12,C9,yes,N,3,,22246,bmse001198,BMET001198
4,covalent,SING,C8,C7,no,N,4,,22246,bmse001198,BMET001198
5,covalent,SING,C8,C11,no,N,5,,22246,bmse001198,BMET001198
6,covalent,SING,C8,H21,no,N,6,,22246,bmse001198,BMET001198
7,covalent,SING,C8,H22,no,N,7,,22246,bmse001198,BMET001198
8,covalent,SING,C7,C10,no,N,8,,22246,bmse001198,BMET001198
9,covalent,SING,C7,H19,no,N,9,,22246,bmse001198,BMET001198
10,covalent,SING,C7,H20,no,N,10,,22246,bmse001198,BMET001198
11,covalent,AROM,C11,C6,yes,N,11,,22246,bmse001198,BMET001198
12,covalent,AROM,C10,C5,yes,N,12,,22246,bmse001198,BMET001198
13,covalent,AROM,C9,C4,yes,N,13,,22246,bmse001198,BMET001198
14,covalent,AROM,C9,C3,yes,N,14,,22246,bmse001198,BMET001198
15,covalent,AROM,C6,C2,yes,N,15,,22246,bmse001198,BMET001198
16,covalent,SING,C6,H18,no,N,16,,22246,bmse001198,BMET001198
17,covalent,AROM,C5,C1,yes,N,17,,22246,bmse001198,BMET001198
18,covalent,SING,C5,H17,no,N,18,,22246,bmse001198,BMET001198
19,covalent,AROM,C4,C2,yes,N,19,,22246,bmse001198,BMET001198
20,covalent,SING,C4,H15,no,N,20,,22246,bmse001198,BMET001198
21,covalent,AROM,C3,C1,yes,N,21,,22246,bmse001198,BMET001198
22,covalent,SING,C3,H16,no,N,22,,22246,bmse001198,BMET001198
23,covalent,SING,C1,H14,no,N,23,,22246,bmse001198,BMET001198
24,covalent,SING,C2,H13,no,N,24,,22246,bmse001198,BMET001198
1,covalent,SING,N24,C21,no,N,1,,22267,bmse001199,BMET001199
2,covalent,SING,N24,C22,no,N,2,,22267,bmse001199,BMET001199
3,covalent,SING,N24,C2,no,N,3,,22267,bmse001199,BMET001199
4,covalent,SING,N24,C3,no,N,4,,22267,bmse001199,BMET001199
5,covalent,SING,C21,C18,no,N,5,,22267,bmse001199,BMET001199
6,covalent,SING,C21,H63,no,N,6,,22267,bmse001199,BMET001199
7,covalent,SING,C21,H64,no,N,7,,22267,bmse001199,BMET001199
8,covalent,SING,C18,C14,no,N,8,,22267,bmse001199,BMET001199
9,covalent,SING,C18,H59,no,N,9,,22267,bmse001199,BMET001199
10,covalent,SING,C18,H60,no,N,10,,22267,bmse001199,BMET001199
11,covalent,SING,C22,C23,no,N,11,,22267,bmse001199,BMET001199
12,covalent,SING,C22,H65,no,N,12,,22267,bmse001199,BMET001199
13,covalent,SING,C22,H66,no,N,13,,22267,bmse001199,BMET001199
14,covalent,SING,C14,C13,no,N,14,,22267,bmse001199,BMET001199
15,covalent,SING,C14,H54,no,N,15,,22267,bmse001199,BMET001199
16,covalent,SING,C14,H55,no,N,16,,22267,bmse001199,BMET001199
17,covalent,SING,C2,H28,no,N,17,,22267,bmse001199,BMET001199
18,covalent,SING,C2,H29,no,N,18,,22267,bmse001199,BMET001199
19,covalent,SING,C2,H30,no,N,19,,22267,bmse001199,BMET001199
20,covalent,SING,C3,H31,no,N,20,,22267,bmse001199,BMET001199
21,covalent,SING,C3,H32,no,N,21,,22267,bmse001199,BMET001199
22,covalent,SING,C3,H33,no,N,22,,22267,bmse001199,BMET001199
23,covalent,SING,C13,C12,no,N,23,,22267,bmse001199,BMET001199
24,covalent,SING,C13,H52,no,N,24,,22267,bmse001199,BMET001199
25,covalent,SING,C13,H53,no,N,25,,22267,bmse001199,BMET001199
26,covalent,SING,C12,C11,no,N,26,,22267,bmse001199,BMET001199
27,covalent,SING,C12,H50,no,N,27,,22267,bmse001199,BMET001199
28,covalent,SING,C12,H51,no,N,28,,22267,bmse001199,BMET001199
29,covalent,SING,C11,C10,no,N,29,,22267,bmse001199,BMET001199
30,covalent,SING,C11,H48,no,N,30,,22267,bmse001199,BMET001199
31,covalent,SING,C11,H49,no,N,31,,22267,bmse001199,BMET001199
32,covalent,AROM,C23,C19,yes,N,32,,22267,bmse001199,BMET001199
33,covalent,AROM,C23,C20,yes,N,33,,22267,bmse001199,BMET001199
34,covalent,SING,C10,C9,no,N,34,,22267,bmse001199,BMET001199
35,covalent,SING,C10,H46,no,N,35,,22267,bmse001199,BMET001199
36,covalent,SING,C10,H47,no,N,36,,22267,bmse001199,BMET001199
37,covalent,SING,C9,C8,no,N,37,,22267,bmse001199,BMET001199
38,covalent,SING,C9,H44,no,N,38,,22267,bmse001199,BMET001199
39,covalent,SING,C9,H45,no,N,39,,22267,bmse001199,BMET001199
40,covalent,SING,C8,C7,no,N,40,,22267,bmse001199,BMET001199
41,covalent,SING,C8,H42,no,N,41,,22267,bmse001199,BMET001199
42,covalent,SING,C8,H43,no,N,42,,22267,bmse001199,BMET001199
43,covalent,SING,C7,C6,no,N,43,,22267,bmse001199,BMET001199
44,covalent,SING,C7,H40,no,N,44,,22267,bmse001199,BMET001199
45,covalent,SING,C7,H41,no,N,45,,22267,bmse001199,BMET001199
46,covalent,SING,C6,C5,no,N,46,,22267,bmse001199,BMET001199
47,covalent,SING,C6,H38,no,N,47,,22267,bmse001199,BMET001199
48,covalent,SING,C6,H39,no,N,48,,22267,bmse001199,BMET001199
49,covalent,AROM,C19,C16,yes,N,49,,22267,bmse001199,BMET001199
50,covalent,SING,C19,H61,no,N,50,,22267,bmse001199,BMET001199
51,covalent,AROM,C20,C17,yes,N,51,,22267,bmse001199,BMET001199
52,covalent,SING,C20,H62,no,N,52,,22267,bmse001199,BMET001199
53,covalent,SING,C5,C4,no,N,53,,22267,bmse001199,BMET001199
54,covalent,SING,C5,H36,no,N,54,,22267,bmse001199,BMET001199
55,covalent,SING,C5,H37,no,N,55,,22267,bmse001199,BMET001199
56,covalent,AROM,C16,C15,yes,N,56,,22267,bmse001199,BMET001199
57,covalent,SING,C16,H34,no,N,57,,22267,bmse001199,BMET001199
58,covalent,AROM,C17,C15,yes,N,58,,22267,bmse001199,BMET001199
59,covalent,SING,C17,H35,no,N,59,,22267,bmse001199,BMET001199
60,covalent,SING,C4,C1,no,N,60,,22267,bmse001199,BMET001199
61,covalent,SING,C4,H57,no,N,61,,22267,bmse001199,BMET001199
62,covalent,SING,C4,H58,no,N,62,,22267,bmse001199,BMET001199
63,covalent,SING,C15,H56,no,N,63,,22267,bmse001199,BMET001199
64,covalent,SING,C1,H26,no,N,64,,22267,bmse001199,BMET001199
65,covalent,SING,C1,H27,no,N,65,,22267,bmse001199,BMET001199
66,covalent,SING,C1,H25,no,N,66,,22267,bmse001199,BMET001199
1,covalent,SING,O25,C3,no,N,1,,22288,bmse001200,BMET001200
2,covalent,SING,O25,C5,no,N,2,,22288,bmse001200,BMET001200
3,covalent,SING,O26,C4,no,N,3,,22288,bmse001200,BMET001200
4,covalent,SING,O26,C6,no,N,4,,22288,bmse001200,BMET001200
5,ester,SING,O21,C13,no,N,5,,22288,bmse001200,BMET001200
6,covalent,SING,O21,H37,no,N,6,,22288,bmse001200,BMET001200
7,ester,SING,O23,C14,no,N,7,,22288,bmse001200,BMET001200
8,covalent,SING,O23,H38,no,N,8,,22288,bmse001200,BMET001200
9,ester,SING,O19,C12,no,N,9,,22288,bmse001200,BMET001200
10,covalent,SING,O19,H35,no,N,10,,22288,bmse001200,BMET001200
11,ester,SING,O17,C11,no,N,11,,22288,bmse001200,BMET001200
12,covalent,SING,O17,H36,no,N,12,,22288,bmse001200,BMET001200
13,carbonyl,DOUB,O22,C13,no,N,13,,22288,bmse001200,BMET001200
14,carbonyl,DOUB,O24,C14,no,N,14,,22288,bmse001200,BMET001200
15,carbonyl,DOUB,O20,C12,no,N,15,,22288,bmse001200,BMET001200
16,carbonyl,DOUB,O18,C11,no,N,16,,22288,bmse001200,BMET001200
17,covalent,SING,N16,C2,no,N,17,,22288,bmse001200,BMET001200
18,covalent,SING,N16,C9,no,N,18,,22288,bmse001200,BMET001200
19,covalent,SING,N16,C10,no,N,19,,22288,bmse001200,BMET001200
20,covalent,SING,N15,C1,no,N,20,,22288,bmse001200,BMET001200
21,covalent,SING,N15,C7,no,N,21,,22288,bmse001200,BMET001200
22,covalent,SING,N15,C8,no,N,22,,22288,bmse001200,BMET001200
23,covalent,SING,C1,C3,no,N,23,,22288,bmse001200,BMET001200
24,covalent,SING,C1,H49,no,N,24,,22288,bmse001200,BMET001200
25,covalent,SING,C1,H50,no,N,25,,22288,bmse001200,BMET001200
26,covalent,SING,C2,C4,no,N,26,,22288,bmse001200,BMET001200
27,covalent,SING,C2,H48,no,N,27,,22288,bmse001200,BMET001200
28,covalent,SING,C2,H47,no,N,28,,22288,bmse001200,BMET001200
29,covalent,SING,C3,H28,no,N,29,,22288,bmse001200,BMET001200
30,covalent,SING,C3,H29,no,N,30,,22288,bmse001200,BMET001200
31,covalent,SING,C4,H27,no,N,31,,22288,bmse001200,BMET001200
32,covalent,SING,C4,H30,no,N,32,,22288,bmse001200,BMET001200
33,covalent,SING,C7,C11,no,N,33,,22288,bmse001200,BMET001200
34,covalent,SING,C7,H39,no,N,34,,22288,bmse001200,BMET001200
35,covalent,SING,C7,H40,no,N,35,,22288,bmse001200,BMET001200
36,covalent,SING,C8,C12,no,N,36,,22288,bmse001200,BMET001200
37,covalent,SING,C8,H41,no,N,37,,22288,bmse001200,BMET001200
38,covalent,SING,C8,H42,no,N,38,,22288,bmse001200,BMET001200
39,covalent,SING,C9,C13,no,N,39,,22288,bmse001200,BMET001200
40,covalent,SING,C9,H31,no,N,40,,22288,bmse001200,BMET001200
41,covalent,SING,C9,H32,no,N,41,,22288,bmse001200,BMET001200
42,covalent,SING,C10,C14,no,N,42,,22288,bmse001200,BMET001200
43,covalent,SING,C10,H33,no,N,43,,22288,bmse001200,BMET001200
44,covalent,SING,C10,H34,no,N,44,,22288,bmse001200,BMET001200
45,covalent,SING,C6,C5,no,N,45,,22288,bmse001200,BMET001200
46,covalent,SING,C6,H45,no,N,46,,22288,bmse001200,BMET001200
47,covalent,SING,C6,H46,no,N,47,,22288,bmse001200,BMET001200
48,covalent,SING,C5,H43,no,N,48,,22288,bmse001200,BMET001200
49,covalent,SING,C5,H44,no,N,49,,22288,bmse001200,BMET001200
1,carbonyl,DOUB,O17,C14,no,N,1,,22308,bmse001201,BMET001201
2,carbonyl,DOUB,O16,C13,no,N,2,,22308,bmse001201,BMET001201
3,covalent,SING,O15,C11,no,N,3,,22308,bmse001201,BMET001201
4,covalent,SING,O15,H18,no,N,4,,22308,bmse001201,BMET001201
5,covalent,AROM,C12,C10,yes,N,5,,22308,bmse001201,BMET001201
6,covalent,SING,C12,C14,no,N,6,,22308,bmse001201,BMET001201
7,covalent,AROM,C12,C11,yes,N,7,,22308,bmse001201,BMET001201
8,covalent,SING,C10,C13,no,N,8,,22308,bmse001201,BMET001201
9,covalent,AROM,C10,C6,yes,N,9,,22308,bmse001201,BMET001201
10,covalent,AROM,C9,C8,yes,N,10,,22308,bmse001201,BMET001201
11,covalent,SING,C9,C14,no,N,11,,22308,bmse001201,BMET001201
12,covalent,AROM,C9,C5,yes,N,12,,22308,bmse001201,BMET001201
13,covalent,SING,C8,C13,no,N,13,,22308,bmse001201,BMET001201
14,covalent,AROM,C8,C4,yes,N,14,,22308,bmse001201,BMET001201
15,covalent,AROM,C11,C7,yes,N,15,,22308,bmse001201,BMET001201
16,covalent,AROM,C6,C3,yes,N,16,,22308,bmse001201,BMET001201
17,covalent,SING,C6,H25,no,N,17,,22308,bmse001201,BMET001201
18,covalent,AROM,C5,C2,yes,N,18,,22308,bmse001201,BMET001201
19,covalent,SING,C5,H23,no,N,19,,22308,bmse001201,BMET001201
20,covalent,AROM,C4,C1,yes,N,20,,22308,bmse001201,BMET001201
21,covalent,SING,C4,H22,no,N,21,,22308,bmse001201,BMET001201
22,covalent,AROM,C7,C3,yes,N,22,,22308,bmse001201,BMET001201
23,covalent,SING,C7,H21,no,N,23,,22308,bmse001201,BMET001201
24,covalent,SING,C3,H24,no,N,24,,22308,bmse001201,BMET001201
25,covalent,AROM,C2,C1,yes,N,25,,22308,bmse001201,BMET001201
26,covalent,SING,C2,H20,no,N,26,,22308,bmse001201,BMET001201
27,covalent,SING,C1,H19,no,N,27,,22308,bmse001201,BMET001201
1,carbonyl,DOUB,O11,C10,no,N,1,,22329,bmse001202,BMET001202
2,covalent,SING,C9,C6,no,N,2,,22329,bmse001202,BMET001202
3,covalent,SING,C9,C5,no,N,3,,22329,bmse001202,BMET001202
4,covalent,SING,C9,C7,no,N,4,,22329,bmse001202,BMET001202
5,covalent,SING,C9,H25,no,N,5,,22329,bmse001202,BMET001202
6,covalent,SING,C6,C10,no,N,6,,22329,bmse001202,BMET001202
7,covalent,SING,C6,H23,no,N,7,,22329,bmse001202,BMET001202
8,covalent,SING,C6,H24,no,N,8,,22329,bmse001202,BMET001202
9,covalent,SING,C5,C4,no,N,9,,22329,bmse001202,BMET001202
10,covalent,SING,C5,H21,no,N,10,,22329,bmse001202,BMET001202
11,covalent,SING,C5,H22,no,N,11,,22329,bmse001202,BMET001202
12,covalent,SING,C7,C2,no,N,12,,22329,bmse001202,BMET001202
13,covalent,DOUB,C7,C1,no,N,13,,22329,bmse001202,BMET001202
14,covalent,SING,C10,C8,no,N,14,,22329,bmse001202,BMET001202
15,covalent,DOUB,C4,C8,no,N,15,,22329,bmse001202,BMET001202
16,covalent,SING,C4,H20,no,N,16,,22329,bmse001202,BMET001202
17,covalent,SING,C8,C3,no,N,17,,22329,bmse001202,BMET001202
18,covalent,SING,C2,H14,no,N,18,,22329,bmse001202,BMET001202
19,covalent,SING,C2,H16,no,N,19,,22329,bmse001202,BMET001202
20,covalent,SING,C2,H15,no,N,20,,22329,bmse001202,BMET001202
21,covalent,SING,C3,H19,no,N,21,,22329,bmse001202,BMET001202
22,covalent,SING,C3,H17,no,N,22,,22329,bmse001202,BMET001202
23,covalent,SING,C3,H18,no,N,23,,22329,bmse001202,BMET001202
24,covalent,SING,C1,H12,no,N,24,,22329,bmse001202,BMET001202
25,covalent,SING,C1,H13,no,N,25,,22329,bmse001202,BMET001202
1,covalent,SING,O9,C3,no,N,1,,22350,bmse001203,BMET001203
2,covalent,SING,O9,C4,no,N,2,,22350,bmse001203,BMET001203
3,covalent,SING,O8,C6,no,N,3,,22350,bmse001203,BMET001203
4,covalent,SING,O8,H13,no,N,4,,22350,bmse001203,BMET001203
5,carbonyl,DOUB,O7,C5,no,N,5,,22350,bmse001203,BMET001203
6,covalent,SING,C3,C5,no,N,6,,22350,bmse001203,BMET001203
7,covalent,SING,C3,C1,no,N,7,,22350,bmse001203,BMET001203
8,covalent,SING,C3,H17,no,N,8,,22350,bmse001203,BMET001203
9,covalent,SING,C5,C6,no,N,9,,22350,bmse001203,BMET001203
10,covalent,DOUB,C4,C6,no,N,10,,22350,bmse001203,BMET001203
11,covalent,SING,C4,C2,no,N,11,,22350,bmse001203,BMET001203
12,covalent,SING,C1,H16,no,N,12,,22350,bmse001203,BMET001203
13,covalent,SING,C1,H12,no,N,13,,22350,bmse001203,BMET001203
14,covalent,SING,C1,H10,no,N,14,,22350,bmse001203,BMET001203
15,covalent,SING,C2,H11,no,N,15,,22350,bmse001203,BMET001203
16,covalent,SING,C2,H15,no,N,16,,22350,bmse001203,BMET001203
17,covalent,SING,C2,H14,no,N,17,,22350,bmse001203,BMET001203
1,ester,SING,O1,C11,no,N,1,,22373,bmse001204,BMET001204
2,covalent,SING,O1,H23,no,N,2,,22373,bmse001204,BMET001204
3,carbonyl,DOUB,O2,C11,no,N,3,,22373,bmse001204,BMET001204
4,covalent,SING,C3,C4,no,N,4,,22373,bmse001204,BMET001204
5,covalent,SING,C3,C6,no,N,5,,22373,bmse001204,BMET001204
6,covalent,SING,C3,C10,no,N,6,,22373,bmse001204,BMET001204
7,covalent,SING,C3,C11,no,N,7,,22373,bmse001204,BMET001204
8,covalent,SING,C4,C7,no,N,8,,22373,bmse001204,BMET001204
9,covalent,SING,C4,C8,no,N,9,,22373,bmse001204,BMET001204
10,covalent,SING,C4,H12,no,N,10,,22373,bmse001204,BMET001204
11,covalent,SING,C5,C6,no,N,11,,22373,bmse001204,BMET001204
12,covalent,SING,C5,C7,no,N,12,,22373,bmse001204,BMET001204
13,covalent,SING,C5,C9,no,N,13,,22373,bmse001204,BMET001204
14,covalent,SING,C5,H13,no,N,14,,22373,bmse001204,BMET001204
15,covalent,SING,C6,H14,no,N,15,,22373,bmse001204,BMET001204
16,covalent,SING,C6,H15,no,N,16,,22373,bmse001204,BMET001204
17,covalent,SING,C7,H16,no,N,17,,22373,bmse001204,BMET001204
18,covalent,SING,C7,H17,no,N,18,,22373,bmse001204,BMET001204
19,covalent,DOUB,C8,C9,no,N,19,,22373,bmse001204,BMET001204
20,covalent,SING,C8,H18,no,N,20,,22373,bmse001204,BMET001204
21,covalent,SING,C9,H19,no,N,21,,22373,bmse001204,BMET001204
22,covalent,SING,C10,H20,no,N,22,,22373,bmse001204,BMET001204
23,covalent,SING,C10,H21,no,N,23,,22373,bmse001204,BMET001204
24,covalent,SING,C10,H22,no,N,24,,22373,bmse001204,BMET001204
1,ester,SING,O1,C8,no,N,1,,22397,bmse001205,BMET001205
2,covalent,SING,O1,H19,no,N,2,,22397,bmse001205,BMET001205
3,carbonyl,DOUB,O2,C8,no,N,3,,22397,bmse001205,BMET001205
4,covalent,SING,C5,N3,no,N,4,,22397,bmse001205,BMET001205
5,covalent,SING,N3,H17,no,N,5,,22397,bmse001205,BMET001205
6,covalent,SING,N3,H18,no,N,6,,22397,bmse001205,BMET001205
7,covalent,SING,C4,C5,no,N,7,,22397,bmse001205,BMET001205
8,covalent,SING,C4,C6,no,N,8,,22397,bmse001205,BMET001205
9,covalent,SING,C4,H9,no,N,9,,22397,bmse001205,BMET001205
10,covalent,SING,C4,H10,no,N,10,,22397,bmse001205,BMET001205
11,covalent,SING,C5,C8,no,N,11,,22397,bmse001205,BMET001205
12,covalent,SING,C5,H11,no,N,12,,22397,bmse001205,BMET001205
13,covalent,SING,C6,C7,no,N,13,,22397,bmse001205,BMET001205
14,covalent,SING,C6,H12,no,N,14,,22397,bmse001205,BMET001205
15,covalent,SING,C6,H13,no,N,15,,22397,bmse001205,BMET001205
16,covalent,SING,C7,H14,no,N,16,,22397,bmse001205,BMET001205
17,covalent,SING,C7,H15,no,N,17,,22397,bmse001205,BMET001205
18,covalent,SING,C7,H16,no,N,18,,22397,bmse001205,BMET001205
1,covalent,SING,Cl1,C20,no,N,1,,22421,bmse001206,BMET001206
2,covalent,SING,F2,C26,no,N,2,,22421,bmse001206,BMET001206
3,covalent,SING,O3,C6,no,N,3,,22421,bmse001206,BMET001206
4,covalent,SING,O3,H39,no,N,4,,22421,bmse001206,BMET001206
5,carbonyl,DOUB,O4,C19,no,N,5,,22421,bmse001206,BMET001206
6,covalent,SING,N5,C9,no,N,6,,22421,bmse001206,BMET001206
7,covalent,SING,N5,C10,no,N,7,,22421,bmse001206,BMET001206
8,covalent,SING,N5,C11,no,N,8,,22421,bmse001206,BMET001206
9,covalent,SING,C6,C7,no,N,9,,22421,bmse001206,BMET001206
10,covalent,SING,C6,C8,no,N,10,,22421,bmse001206,BMET001206
11,covalent,SING,C6,C12,no,N,11,,22421,bmse001206,BMET001206
12,covalent,SING,C7,C9,no,N,12,,22421,bmse001206,BMET001206
13,covalent,SING,C7,H29,no,N,13,,22421,bmse001206,BMET001206
14,covalent,SING,C7,H30,no,N,14,,22421,bmse001206,BMET001206
15,covalent,SING,C8,C10,no,N,15,,22421,bmse001206,BMET001206
16,covalent,SING,C8,H27,no,N,16,,22421,bmse001206,BMET001206
17,covalent,SING,C8,H28,no,N,17,,22421,bmse001206,BMET001206
18,covalent,SING,C9,H31,no,N,18,,22421,bmse001206,BMET001206
19,covalent,SING,C9,H32,no,N,19,,22421,bmse001206,BMET001206
20,covalent,SING,C10,H33,no,N,20,,22421,bmse001206,BMET001206
21,covalent,SING,C10,H34,no,N,21,,22421,bmse001206,BMET001206
22,covalent,SING,C11,C13,no,N,22,,22421,bmse001206,BMET001206
23,covalent,SING,C11,H35,no,N,23,,22421,bmse001206,BMET001206
24,covalent,SING,C11,H36,no,N,24,,22421,bmse001206,BMET001206
25,covalent,AROM,C12,C14,yes,N,25,,22421,bmse001206,BMET001206
26,covalent,AROM,C12,C15,yes,N,26,,22421,bmse001206,BMET001206
27,covalent,SING,C13,C16,no,N,27,,22421,bmse001206,BMET001206
28,covalent,SING,C13,H37,no,N,28,,22421,bmse001206,BMET001206
29,covalent,SING,C13,H38,no,N,29,,22421,bmse001206,BMET001206
30,covalent,AROM,C14,C17,yes,N,30,,22421,bmse001206,BMET001206
31,covalent,SING,C14,H40,no,N,31,,22421,bmse001206,BMET001206
32,covalent,AROM,C15,C18,yes,N,32,,22421,bmse001206,BMET001206
33,covalent,SING,C15,H41,no,N,33,,22421,bmse001206,BMET001206
34,covalent,SING,C16,C19,no,N,34,,22421,bmse001206,BMET001206
35,covalent,SING,C16,H42,no,N,35,,22421,bmse001206,BMET001206
36,covalent,SING,C16,H43,no,N,36,,22421,bmse001206,BMET001206
37,covalent,AROM,C17,C20,yes,N,37,,22421,bmse001206,BMET001206
38,covalent,SING,C17,H44,no,N,38,,22421,bmse001206,BMET001206
39,covalent,AROM,C18,C20,yes,N,39,,22421,bmse001206,BMET001206
40,covalent,SING,C18,H45,no,N,40,,22421,bmse001206,BMET001206
41,covalent,SING,C19,C21,no,N,41,,22421,bmse001206,BMET001206
42,covalent,AROM,C21,C22,yes,N,42,,22421,bmse001206,BMET001206
43,covalent,AROM,C21,C23,yes,N,43,,22421,bmse001206,BMET001206
44,covalent,AROM,C22,C24,yes,N,44,,22421,bmse001206,BMET001206
45,covalent,SING,C22,H46,no,N,45,,22421,bmse001206,BMET001206
46,covalent,AROM,C23,C25,yes,N,46,,22421,bmse001206,BMET001206
47,covalent,SING,C23,H47,no,N,47,,22421,bmse001206,BMET001206
48,covalent,AROM,C24,C26,yes,N,48,,22421,bmse001206,BMET001206
49,covalent,SING,C24,H48,no,N,49,,22421,bmse001206,BMET001206
50,covalent,AROM,C25,C26,yes,N,50,,22421,bmse001206,BMET001206
51,covalent,SING,C25,H49,no,N,51,,22421,bmse001206,BMET001206
1,carbonyl,DOUB,O1,C7,no,N,1,,22445,bmse001207,BMET001207
2,covalent,AROM,N2,C8,yes,N,2,,22445,bmse001207,BMET001207
3,covalent,AROM,N2,C9,yes,N,3,,22445,bmse001207,BMET001207
4,amide,SING,N3,C7,no,N,4,,22445,bmse001207,BMET001207
5,covalent,SING,N3,H14,no,N,5,,22445,bmse001207,BMET001207
6,covalent,SING,N3,H15,no,N,6,,22445,bmse001207,BMET001207
7,covalent,AROM,C4,C5,yes,N,7,,22445,bmse001207,BMET001207
8,covalent,AROM,C4,C6,yes,N,8,,22445,bmse001207,BMET001207
9,covalent,SING,C4,C7,no,N,9,,22445,bmse001207,BMET001207
10,covalent,AROM,C5,C8,yes,N,10,,22445,bmse001207,BMET001207
11,covalent,SING,C5,H10,no,N,11,,22445,bmse001207,BMET001207
12,covalent,AROM,C6,C9,yes,N,12,,22445,bmse001207,BMET001207
13,covalent,SING,C6,H11,no,N,13,,22445,bmse001207,BMET001207
14,covalent,SING,C8,H12,no,N,14,,22445,bmse001207,BMET001207
15,covalent,SING,C9,H13,no,N,15,,22445,bmse001207,BMET001207
1,covalent,SING,C1,H11,no,N,1,,22469,bmse001208,BMET001208
2,covalent,SING,C1,H12,no,N,2,,22469,bmse001208,BMET001208
3,covalent,SING,C2,H13,no,N,3,,22469,bmse001208,BMET001208
4,covalent,SING,C2,H14,no,N,4,,22469,bmse001208,BMET001208
5,covalent,SING,C2,H15,no,N,5,,22469,bmse001208,BMET001208
6,covalent,SING,C3,H16,no,N,6,,22469,bmse001208,BMET001208
7,covalent,SING,C3,H17,no,N,7,,22469,bmse001208,BMET001208
8,covalent,SING,C3,H18,no,N,8,,22469,bmse001208,BMET001208
9,covalent,SING,C4,H19,no,N,9,,22469,bmse001208,BMET001208
10,covalent,SING,C4,H20,no,N,10,,22469,bmse001208,BMET001208
11,covalent,DOUB,C5,C1,no,N,11,,22469,bmse001208,BMET001208
12,covalent,SING,C5,H21,no,N,12,,22469,bmse001208,BMET001208
13,covalent,SING,C6,C7,no,N,13,,22469,bmse001208,BMET001208
14,covalent,SING,C6,H22,no,N,14,,22469,bmse001208,BMET001208
15,covalent,SING,C6,H23,no,N,15,,22469,bmse001208,BMET001208
16,covalent,DOUB,C7,C9,no,N,16,,22469,bmse001208,BMET001208
17,covalent,SING,C7,H24,no,N,17,,22469,bmse001208,BMET001208
18,covalent,SING,C8,C6,no,N,18,,22469,bmse001208,BMET001208
19,covalent,SING,C8,H25,no,N,19,,22469,bmse001208,BMET001208
20,covalent,SING,C8,H26,no,N,20,,22469,bmse001208,BMET001208
21,covalent,SING,C9,C2,no,N,21,,22469,bmse001208,BMET001208
22,covalent,SING,C9,C3,no,N,22,,22469,bmse001208,BMET001208
23,covalent,DOUB,C10,C4,no,N,23,,22469,bmse001208,BMET001208
24,covalent,SING,C10,C5,no,N,24,,22469,bmse001208,BMET001208
25,covalent,SING,C10,C8,no,N,25,,22469,bmse001208,BMET001208
1,covalent,SING,O1,C5,no,N,1,,22493,bmse001209,BMET001209
2,covalent,SING,O1,H29,no,N,2,,22493,bmse001209,BMET001209
3,covalent,SING,O2,C13,no,N,3,,22493,bmse001209,BMET001209
4,covalent,SING,O2,H31,no,N,4,,22493,bmse001209,BMET001209
5,covalent,SING,O3,C15,no,N,5,,22493,bmse001209,BMET001209
6,covalent,SING,O3,H32,no,N,6,,22493,bmse001209,BMET001209
7,covalent,SING,N4,C6,no,N,7,,22493,bmse001209,BMET001209
8,covalent,SING,N4,C7,no,N,8,,22493,bmse001209,BMET001209
9,covalent,SING,N4,H20,no,N,9,,22493,bmse001209,BMET001209
10,covalent,SING,C5,C6,no,N,10,,22493,bmse001209,BMET001209
11,covalent,SING,C5,C8,no,N,11,,22493,bmse001209,BMET001209
12,covalent,SING,C5,H16,no,N,12,,22493,bmse001209,BMET001209
13,covalent,SING,C6,H17,no,N,13,,22493,bmse001209,BMET001209
14,covalent,SING,C6,H18,no,N,14,,22493,bmse001209,BMET001209
15,covalent,SING,C7,C9,no,N,15,,22493,bmse001209,BMET001209
16,covalent,SING,C7,C10,no,N,16,,22493,bmse001209,BMET001209
17,covalent,SING,C7,H19,no,N,17,,22493,bmse001209,BMET001209
18,covalent,AROM,C8,C11,yes,N,18,,22493,bmse001209,BMET001209
19,covalent,AROM,C8,C12,yes,N,19,,22493,bmse001209,BMET001209
20,covalent,SING,C9,H21,no,N,20,,22493,bmse001209,BMET001209
21,covalent,SING,C9,H22,no,N,21,,22493,bmse001209,BMET001209
22,covalent,SING,C9,H26,no,N,22,,22493,bmse001209,BMET001209
23,covalent,SING,C10,H23,no,N,23,,22493,bmse001209,BMET001209
24,covalent,SING,C10,H24,no,N,24,,22493,bmse001209,BMET001209
25,covalent,SING,C10,H25,no,N,25,,22493,bmse001209,BMET001209
26,covalent,AROM,C11,C13,yes,N,26,,22493,bmse001209,BMET001209
27,covalent,SING,C11,H27,no,N,27,,22493,bmse001209,BMET001209
28,covalent,AROM,C12,C14,yes,N,28,,22493,bmse001209,BMET001209
29,covalent,SING,C12,H28,no,N,29,,22493,bmse001209,BMET001209
30,covalent,AROM,C13,C15,yes,N,30,,22493,bmse001209,BMET001209
31,covalent,AROM,C14,C15,yes,N,31,,22493,bmse001209,BMET001209
32,covalent,SING,C14,H30,no,N,32,,22493,bmse001209,BMET001209
1,covalent,SING,Cl1,C26,no,N,1,,22517,bmse001210,BMET001210
2,covalent,SING,O2,C6,no,N,2,,22517,bmse001210,BMET001210
3,covalent,SING,O2,H47,no,N,3,,22517,bmse001210,BMET001210
4,carbonyl,DOUB,O3,C17,no,N,4,,22517,bmse001210,BMET001210
5,covalent,SING,N4,C9,no,N,5,,22517,bmse001210,BMET001210
6,covalent,SING,N4,C10,no,N,6,,22517,bmse001210,BMET001210
7,covalent,SING,N4,C11,no,N,7,,22517,bmse001210,BMET001210
8,amide,SING,N5,C17,no,N,8,,22517,bmse001210,BMET001210
9,covalent,SING,N5,C31,no,N,9,,22517,bmse001210,BMET001210
10,covalent,SING,N5,C32,no,N,10,,22517,bmse001210,BMET001210
11,covalent,SING,C6,C7,no,N,11,,22517,bmse001210,BMET001210
12,covalent,SING,C6,C8,no,N,12,,22517,bmse001210,BMET001210
13,covalent,SING,C6,C14,no,N,13,,22517,bmse001210,BMET001210
14,covalent,SING,C7,C9,no,N,14,,22517,bmse001210,BMET001210
15,covalent,SING,C7,H37,no,N,15,,22517,bmse001210,BMET001210
16,covalent,SING,C7,H38,no,N,16,,22517,bmse001210,BMET001210
17,covalent,SING,C8,C10,no,N,17,,22517,bmse001210,BMET001210
18,covalent,SING,C8,H35,no,N,18,,22517,bmse001210,BMET001210
19,covalent,SING,C8,H36,no,N,19,,22517,bmse001210,BMET001210
20,covalent,SING,C9,H39,no,N,20,,22517,bmse001210,BMET001210
21,covalent,SING,C9,H40,no,N,21,,22517,bmse001210,BMET001210
22,covalent,SING,C10,H41,no,N,22,,22517,bmse001210,BMET001210
23,covalent,SING,C10,H42,no,N,23,,22517,bmse001210,BMET001210
24,covalent,SING,C11,C12,no,N,24,,22517,bmse001210,BMET001210
25,covalent,SING,C11,H43,no,N,25,,22517,bmse001210,BMET001210
26,covalent,SING,C11,H44,no,N,26,,22517,bmse001210,BMET001210
27,covalent,SING,C12,C13,no,N,27,,22517,bmse001210,BMET001210
28,covalent,SING,C12,H45,no,N,28,,22517,bmse001210,BMET001210
29,covalent,SING,C12,H46,no,N,29,,22517,bmse001210,BMET001210
30,covalent,SING,C13,C15,no,N,30,,22517,bmse001210,BMET001210
31,covalent,SING,C13,C16,no,N,31,,22517,bmse001210,BMET001210
32,covalent,SING,C13,C17,no,N,32,,22517,bmse001210,BMET001210
33,covalent,AROM,C14,C18,yes,N,33,,22517,bmse001210,BMET001210
34,covalent,AROM,C14,C19,yes,N,34,,22517,bmse001210,BMET001210
35,covalent,AROM,C15,C20,yes,N,35,,22517,bmse001210,BMET001210
36,covalent,AROM,C15,C22,yes,N,36,,22517,bmse001210,BMET001210
37,covalent,AROM,C16,C21,yes,N,37,,22517,bmse001210,BMET001210
38,covalent,AROM,C16,C23,yes,N,38,,22517,bmse001210,BMET001210
39,covalent,AROM,C18,C24,yes,N,39,,22517,bmse001210,BMET001210
40,covalent,SING,C18,H48,no,N,40,,22517,bmse001210,BMET001210
41,covalent,AROM,C19,C25,yes,N,41,,22517,bmse001210,BMET001210
42,covalent,SING,C19,H49,no,N,42,,22517,bmse001210,BMET001210
43,covalent,AROM,C20,C27,yes,N,43,,22517,bmse001210,BMET001210
44,covalent,SING,C20,H50,no,N,44,,22517,bmse001210,BMET001210
45,covalent,AROM,C21,C28,yes,N,45,,22517,bmse001210,BMET001210
46,covalent,SING,C21,H51,no,N,46,,22517,bmse001210,BMET001210
47,covalent,AROM,C22,C29,yes,N,47,,22517,bmse001210,BMET001210
48,covalent,SING,C22,H52,no,N,48,,22517,bmse001210,BMET001210
49,covalent,AROM,C23,C30,yes,N,49,,22517,bmse001210,BMET001210
50,covalent,SING,C23,H53,no,N,50,,22517,bmse001210,BMET001210
51,covalent,AROM,C24,C26,yes,N,51,,22517,bmse001210,BMET001210
52,covalent,SING,C24,H54,no,N,52,,22517,bmse001210,BMET001210
53,covalent,AROM,C25,C26,yes,N,53,,22517,bmse001210,BMET001210
54,covalent,SING,C25,H55,no,N,54,,22517,bmse001210,BMET001210
55,covalent,AROM,C27,C34,yes,N,55,,22517,bmse001210,BMET001210
56,covalent,SING,C27,H56,no,N,56,,22517,bmse001210,BMET001210
57,covalent,AROM,C28,C33,yes,N,57,,22517,bmse001210,BMET001210
58,covalent,SING,C28,H57,no,N,58,,22517,bmse001210,BMET001210
59,covalent,AROM,C29,C34,yes,N,59,,22517,bmse001210,BMET001210
60,covalent,SING,C29,H58,no,N,60,,22517,bmse001210,BMET001210
61,covalent,AROM,C30,C33,yes,N,61,,22517,bmse001210,BMET001210
62,covalent,SING,C30,H59,no,N,62,,22517,bmse001210,BMET001210
63,covalent,SING,C31,H60,no,N,63,,22517,bmse001210,BMET001210
64,covalent,SING,C31,H61,no,N,64,,22517,bmse001210,BMET001210
65,covalent,SING,C31,H62,no,N,65,,22517,bmse001210,BMET001210
66,covalent,SING,C32,H63,no,N,66,,22517,bmse001210,BMET001210
67,covalent,SING,C32,H64,no,N,67,,22517,bmse001210,BMET001210
68,covalent,SING,C32,H65,no,N,68,,22517,bmse001210,BMET001210
69,covalent,SING,C33,H66,no,N,69,,22517,bmse001210,BMET001210
70,covalent,SING,C34,H67,no,N,70,,22517,bmse001210,BMET001210
1,covalent,SING,Cl1,C13,no,N,1,,22541,bmse001211,BMET001211
2,covalent,SING,Cl2,C15,no,N,2,,22541,bmse001211,BMET001211
3,covalent,SING,C6,O3,no,N,3,,22541,bmse001211,BMET001211
4,covalent,SING,O3,H29,no,N,4,,22541,bmse001211,BMET001211
5,covalent,SING,N4,C5,no,N,5,,22541,bmse001211,BMET001211
6,covalent,SING,N4,C7,no,N,6,,22541,bmse001211,BMET001211
7,covalent,SING,N4,H20,no,N,7,,22541,bmse001211,BMET001211
8,covalent,SING,C5,C6,no,N,8,,22541,bmse001211,BMET001211
9,covalent,SING,C5,H16,no,N,9,,22541,bmse001211,BMET001211
10,covalent,SING,C5,H17,no,N,10,,22541,bmse001211,BMET001211
11,covalent,SING,C6,C8,no,N,11,,22541,bmse001211,BMET001211
12,covalent,SING,C6,H18,no,N,12,,22541,bmse001211,BMET001211
13,covalent,SING,C7,C9,no,N,13,,22541,bmse001211,BMET001211
14,covalent,SING,C7,C10,no,N,14,,22541,bmse001211,BMET001211
15,covalent,SING,C7,H19,no,N,15,,22541,bmse001211,BMET001211
16,covalent,AROM,C8,C11,yes,N,16,,22541,bmse001211,BMET001211
17,covalent,AROM,C8,C12,yes,N,17,,22541,bmse001211,BMET001211
18,covalent,SING,C9,H21,no,N,18,,22541,bmse001211,BMET001211
19,covalent,SING,C9,H22,no,N,19,,22541,bmse001211,BMET001211
20,covalent,SING,C9,H23,no,N,20,,22541,bmse001211,BMET001211
21,covalent,SING,C10,H24,no,N,21,,22541,bmse001211,BMET001211
22,covalent,SING,C10,H25,no,N,22,,22541,bmse001211,BMET001211
23,covalent,SING,C10,H26,no,N,23,,22541,bmse001211,BMET001211
24,covalent,AROM,C11,C13,yes,N,24,,22541,bmse001211,BMET001211
25,covalent,SING,C11,H27,no,N,25,,22541,bmse001211,BMET001211
26,covalent,AROM,C12,C14,yes,N,26,,22541,bmse001211,BMET001211
27,covalent,SING,C12,H28,no,N,27,,22541,bmse001211,BMET001211
28,covalent,AROM,C13,C15,yes,N,28,,22541,bmse001211,BMET001211
29,covalent,AROM,C14,C15,yes,N,29,,22541,bmse001211,BMET001211
30,covalent,SING,C14,H30,no,N,30,,22541,bmse001211,BMET001211
1,covalent,SING,C1,H25,no,N,1,,22565,bmse001212,BMET001212
2,covalent,SING,C1,H26,no,N,2,,22565,bmse001212,BMET001212
3,covalent,SING,C1,H27,no,N,3,,22565,bmse001212,BMET001212
4,covalent,SING,C2,H28,no,N,4,,22565,bmse001212,BMET001212
5,covalent,AROM,C3,C2,yes,N,5,,22565,bmse001212,BMET001212
6,covalent,SING,C3,H29,no,N,6,,22565,bmse001212,BMET001212
7,covalent,AROM,C4,C2,yes,N,7,,22565,bmse001212,BMET001212
8,covalent,SING,C4,H30,no,N,8,,22565,bmse001212,BMET001212
9,covalent,AROM,C5,C3,yes,N,9,,22565,bmse001212,BMET001212
10,covalent,SING,C5,H31,no,N,10,,22565,bmse001212,BMET001212
11,covalent,SING,C6,H32,no,N,11,,22565,bmse001212,BMET001212
12,covalent,SING,C6,H33,no,N,12,,22565,bmse001212,BMET001212
13,covalent,SING,C7,C1,no,N,13,,22565,bmse001212,BMET001212
14,covalent,AROM,C8,C4,yes,N,14,,22565,bmse001212,BMET001212
15,covalent,AROM,C9,C5,yes,N,15,,22565,bmse001212,BMET001212
16,covalent,AROM,C9,C8,yes,N,16,,22565,bmse001212,BMET001212
17,covalent,SING,C10,C6,no,N,17,,22565,bmse001212,BMET001212
18,covalent,SING,C10,H34,no,N,18,,22565,bmse001212,BMET001212
19,covalent,SING,C11,C13,no,N,19,,22565,bmse001212,BMET001212
20,covalent,SING,C11,C14,no,N,20,,22565,bmse001212,BMET001212
21,covalent,SING,C11,H35,no,N,21,,22565,bmse001212,BMET001212
22,covalent,SING,C12,C10,no,N,22,,22565,bmse001212,BMET001212
23,covalent,SING,C12,H36,no,N,23,,22565,bmse001212,BMET001212
24,covalent,SING,C13,C12,no,N,24,,22565,bmse001212,BMET001212
25,covalent,SING,C13,H37,no,N,25,,22565,bmse001212,BMET001212
26,covalent,SING,C14,H38,no,N,26,,22565,bmse001212,BMET001212
27,amide,SING,N15,C7,no,N,27,,22565,bmse001212,BMET001212
28,covalent,SING,N15,C11,no,N,28,,22565,bmse001212,BMET001212
29,covalent,SING,N15,H39,no,N,29,,22565,bmse001212,BMET001212
30,covalent,SING,N16,C8,no,N,30,,22565,bmse001212,BMET001212
31,covalent,SING,O17,C6,no,N,31,,22565,bmse001212,BMET001212
32,covalent,SING,O17,H40,no,N,32,,22565,bmse001212,BMET001212
33,carbonyl,DOUB,O18,C7,no,N,33,,22565,bmse001212,BMET001212
34,covalent,SING,O19,C12,no,N,34,,22565,bmse001212,BMET001212
35,covalent,SING,O19,H41,no,N,35,,22565,bmse001212,BMET001212
36,covalent,SING,O20,C13,no,N,36,,22565,bmse001212,BMET001212
37,covalent,SING,O20,H42,no,N,37,,22565,bmse001212,BMET001212
38,covalent,SING,O21,N16,no,N,38,,22565,bmse001212,BMET001212
39,covalent,DOUB,O22,N16,no,N,39,,22565,bmse001212,BMET001212
40,covalent,SING,O23,C9,no,N,40,,22565,bmse001212,BMET001212
41,covalent,SING,O23,C14,no,N,41,,22565,bmse001212,BMET001212
42,covalent,SING,O24,C10,no,N,42,,22565,bmse001212,BMET001212
43,covalent,SING,O24,C14,no,N,43,,22565,bmse001212,BMET001212
1,covalent,SING,C1,H27,no,N,1,,22589,bmse001213,BMET001213
2,covalent,SING,C1,H28,no,N,2,,22589,bmse001213,BMET001213
3,covalent,SING,C1,H29,no,N,3,,22589,bmse001213,BMET001213
4,covalent,SING,C2,H30,no,N,4,,22589,bmse001213,BMET001213
5,covalent,SING,C2,H31,no,N,5,,22589,bmse001213,BMET001213
6,covalent,SING,C3,C2,no,N,6,,22589,bmse001213,BMET001213
7,covalent,SING,C3,H32,no,N,7,,22589,bmse001213,BMET001213
8,covalent,SING,C3,H33,no,N,8,,22589,bmse001213,BMET001213
9,covalent,SING,C4,H34,no,N,9,,22589,bmse001213,BMET001213
10,covalent,DOUB,C5,C4,no,N,10,,22589,bmse001213,BMET001213
11,covalent,SING,C5,H35,no,N,11,,22589,bmse001213,BMET001213
12,covalent,SING,C6,H36,no,N,12,,22589,bmse001213,BMET001213
13,covalent,SING,C6,H37,no,N,13,,22589,bmse001213,BMET001213
14,covalent,SING,C7,C6,no,N,14,,22589,bmse001213,BMET001213
15,covalent,SING,C7,H38,no,N,15,,22589,bmse001213,BMET001213
16,covalent,SING,C7,H39,no,N,16,,22589,bmse001213,BMET001213
17,covalent,SING,C8,H40,no,N,17,,22589,bmse001213,BMET001213
18,covalent,SING,C8,H41,no,N,18,,22589,bmse001213,BMET001213
19,covalent,SING,C9,C1,no,N,19,,22589,bmse001213,BMET001213
20,covalent,SING,C9,C8,no,N,20,,22589,bmse001213,BMET001213
21,covalent,SING,C9,H42,no,N,21,,22589,bmse001213,BMET001213
22,covalent,SING,C10,C6,no,N,22,,22589,bmse001213,BMET001213
23,covalent,SING,C10,C9,no,N,23,,22589,bmse001213,BMET001213
24,covalent,SING,C10,H43,no,N,24,,22589,bmse001213,BMET001213
25,covalent,SING,C11,C2,no,N,25,,22589,bmse001213,BMET001213
26,covalent,SING,C11,C20,no,N,26,,22589,bmse001213,BMET001213
27,covalent,SING,C11,H44,no,N,27,,22589,bmse001213,BMET001213
28,covalent,SING,C12,C3,no,N,28,,22589,bmse001213,BMET001213
29,covalent,SING,C12,C10,no,N,29,,22589,bmse001213,BMET001213
30,covalent,SING,C12,H45,no,N,30,,22589,bmse001213,BMET001213
31,covalent,SING,C13,C4,no,N,31,,22589,bmse001213,BMET001213
32,covalent,SING,C14,C5,no,N,32,,22589,bmse001213,BMET001213
33,covalent,SING,C15,C13,no,N,33,,22589,bmse001213,BMET001213
34,covalent,SING,C16,C14,no,N,34,,22589,bmse001213,BMET001213
35,covalent,DOUB,C16,C15,no,N,35,,22589,bmse001213,BMET001213
36,covalent,SING,C17,C11,no,N,36,,22589,bmse001213,BMET001213
37,covalent,SING,C17,C18,no,N,37,,22589,bmse001213,BMET001213
38,covalent,SING,C17,H46,no,N,38,,22589,bmse001213,BMET001213
39,covalent,SING,C18,C15,no,N,39,,22589,bmse001213,BMET001213
40,covalent,SING,C18,H47,no,N,40,,22589,bmse001213,BMET001213
41,covalent,SING,C19,C16,no,N,41,,22589,bmse001213,BMET001213
42,covalent,SING,C19,H48,no,N,42,,22589,bmse001213,BMET001213
43,covalent,SING,C21,C7,no,N,43,,22589,bmse001213,BMET001213
44,covalent,SING,C21,C12,no,N,44,,22589,bmse001213,BMET001213
45,covalent,SING,C21,C17,no,N,45,,22589,bmse001213,BMET001213
46,covalent,SING,C21,C19,no,N,46,,22589,bmse001213,BMET001213
47,carbonyl,DOUB,O22,C13,no,N,47,,22589,bmse001213,BMET001213
48,carbonyl,DOUB,O23,C14,no,N,48,,22589,bmse001213,BMET001213
49,carbonyl,DOUB,O24,C20,no,N,49,,22589,bmse001213,BMET001213
50,covalent,SING,O25,C8,no,N,50,,22589,bmse001213,BMET001213
51,covalent,SING,O25,C19,no,N,51,,22589,bmse001213,BMET001213
52,covalent,SING,O26,C18,no,N,52,,22589,bmse001213,BMET001213
53,ester,SING,O26,C20,no,N,53,,22589,bmse001213,BMET001213
1,covalent,SING,C1,H27,no,N,1,,22613,bmse001214,BMET001214
2,covalent,SING,C1,H28,no,N,2,,22613,bmse001214,BMET001214
3,covalent,SING,C1,H29,no,N,3,,22613,bmse001214,BMET001214
4,covalent,AROM,C2,C3,yes,N,4,,22613,bmse001214,BMET001214
5,covalent,SING,C2,H30,no,N,5,,22613,bmse001214,BMET001214
6,covalent,SING,C3,H31,no,N,6,,22613,bmse001214,BMET001214
7,covalent,AROM,C4,C2,yes,N,7,,22613,bmse001214,BMET001214
8,covalent,SING,C4,H32,no,N,8,,22613,bmse001214,BMET001214
9,covalent,AROM,C5,C3,yes,N,9,,22613,bmse001214,BMET001214
10,covalent,SING,C5,H33,no,N,10,,22613,bmse001214,BMET001214
11,covalent,SING,C6,C7,no,N,11,,22613,bmse001214,BMET001214
12,covalent,SING,C6,H34,no,N,12,,22613,bmse001214,BMET001214
13,covalent,SING,C6,H35,no,N,13,,22613,bmse001214,BMET001214
14,covalent,SING,C7,H36,no,N,14,,22613,bmse001214,BMET001214
15,covalent,SING,C7,H37,no,N,15,,22613,bmse001214,BMET001214
16,covalent,SING,C8,H38,no,N,16,,22613,bmse001214,BMET001214
17,covalent,SING,C8,H39,no,N,17,,22613,bmse001214,BMET001214
18,covalent,SING,C9,C8,no,N,18,,22613,bmse001214,BMET001214
19,covalent,SING,C9,H40,no,N,19,,22613,bmse001214,BMET001214
20,covalent,SING,C9,H41,no,N,20,,22613,bmse001214,BMET001214
21,covalent,SING,C10,C17,no,N,21,,22613,bmse001214,BMET001214
22,covalent,SING,C10,H42,no,N,22,,22613,bmse001214,BMET001214
23,covalent,SING,C10,H43,no,N,23,,22613,bmse001214,BMET001214
24,covalent,SING,C11,H44,no,N,24,,22613,bmse001214,BMET001214
25,covalent,SING,C11,H45,no,N,25,,22613,bmse001214,BMET001214
26,covalent,SING,C12,C6,no,N,26,,22613,bmse001214,BMET001214
27,covalent,SING,C12,C11,no,N,27,,22613,bmse001214,BMET001214
28,covalent,SING,C12,H46,no,N,28,,22613,bmse001214,BMET001214
29,covalent,AROM,C13,C4,yes,N,29,,22613,bmse001214,BMET001214
30,covalent,AROM,C13,C16,yes,N,30,,22613,bmse001214,BMET001214
31,covalent,SING,C14,C8,no,N,31,,22613,bmse001214,BMET001214
32,covalent,AROM,C14,C13,yes,N,32,,22613,bmse001214,BMET001214
33,covalent,SING,C15,C10,no,N,33,,22613,bmse001214,BMET001214
34,covalent,SING,C15,C12,no,N,34,,22613,bmse001214,BMET001214
35,covalent,SING,C15,C19,no,N,35,,22613,bmse001214,BMET001214
36,covalent,SING,C15,H47,no,N,36,,22613,bmse001214,BMET001214
37,covalent,AROM,C16,C5,yes,N,37,,22613,bmse001214,BMET001214
38,covalent,SING,C17,C20,no,N,38,,22613,bmse001214,BMET001214
39,covalent,SING,C17,H48,no,N,39,,22613,bmse001214,BMET001214
40,covalent,SING,C18,C7,no,N,40,,22613,bmse001214,BMET001214
41,covalent,SING,C18,H49,no,N,41,,22613,bmse001214,BMET001214
42,covalent,SING,C19,C18,no,N,42,,22613,bmse001214,BMET001214
43,covalent,SING,C19,C21,no,N,43,,22613,bmse001214,BMET001214
44,covalent,SING,C19,H50,no,N,44,,22613,bmse001214,BMET001214
45,covalent,AROM,C20,C14,yes,N,45,,22613,bmse001214,BMET001214
46,covalent,AROM,N22,C16,yes,N,46,,22613,bmse001214,BMET001214
47,covalent,AROM,N22,C20,yes,N,47,,22613,bmse001214,BMET001214
48,covalent,SING,N22,H51,no,N,48,,22613,bmse001214,BMET001214
49,covalent,SING,N23,C9,no,N,49,,22613,bmse001214,BMET001214
50,covalent,SING,N23,C11,no,N,50,,22613,bmse001214,BMET001214
51,covalent,SING,N23,C17,no,N,51,,22613,bmse001214,BMET001214
52,covalent,SING,O24,C18,no,N,52,,22613,bmse001214,BMET001214
53,covalent,SING,O24,H52,no,N,53,,22613,bmse001214,BMET001214
54,carbonyl,DOUB,O25,C21,no,N,54,,22613,bmse001214,BMET001214
55,covalent,SING,O26,C1,no,N,55,,22613,bmse001214,BMET001214
56,ester,SING,O26,C21,no,N,56,,22613,bmse001214,BMET001214
1,covalent,SING,C1,H20,no,N,1,,22637,bmse001215,BMET001215
2,covalent,SING,C1,H21,no,N,2,,22637,bmse001215,BMET001215
3,covalent,SING,C1,H22,no,N,3,,22637,bmse001215,BMET001215
4,covalent,SING,C2,H23,no,N,4,,22637,bmse001215,BMET001215
5,covalent,SING,C2,H24,no,N,5,,22637,bmse001215,BMET001215
6,covalent,SING,C3,H25,no,N,6,,22637,bmse001215,BMET001215
7,covalent,SING,C3,H26,no,N,7,,22637,bmse001215,BMET001215
8,covalent,SING,C3,H27,no,N,8,,22637,bmse001215,BMET001215
9,covalent,SING,C4,H28,no,N,9,,22637,bmse001215,BMET001215
10,covalent,SING,C4,H29,no,N,10,,22637,bmse001215,BMET001215
11,covalent,SING,C5,C4,no,N,11,,22637,bmse001215,BMET001215
12,covalent,SING,C5,H30,no,N,12,,22637,bmse001215,BMET001215
13,covalent,SING,C5,H31,no,N,13,,22637,bmse001215,BMET001215
14,covalent,SING,C6,C11,no,N,14,,22637,bmse001215,BMET001215
15,covalent,SING,C6,H32,no,N,15,,22637,bmse001215,BMET001215
16,covalent,SING,C6,H33,no,N,16,,22637,bmse001215,BMET001215
17,covalent,SING,C7,C10,no,N,17,,22637,bmse001215,BMET001215
18,covalent,SING,C7,H34,no,N,18,,22637,bmse001215,BMET001215
19,covalent,SING,C7,H35,no,N,19,,22637,bmse001215,BMET001215
20,covalent,SING,C8,C1,no,N,20,,22637,bmse001215,BMET001215
21,covalent,SING,C8,C6,no,N,21,,22637,bmse001215,BMET001215
22,covalent,SING,C8,H36,no,N,22,,22637,bmse001215,BMET001215
23,covalent,DOUB,C9,C2,no,N,23,,22637,bmse001215,BMET001215
24,covalent,SING,C9,C13,no,N,24,,22637,bmse001215,BMET001215
25,covalent,SING,C10,C9,no,N,25,,22637,bmse001215,BMET001215
26,covalent,SING,C10,C11,no,N,26,,22637,bmse001215,BMET001215
27,covalent,SING,C10,H37,no,N,27,,22637,bmse001215,BMET001215
28,covalent,SING,C11,H38,no,N,28,,22637,bmse001215,BMET001215
29,covalent,SING,C12,C4,no,N,29,,22637,bmse001215,BMET001215
30,covalent,SING,C14,C3,no,N,30,,22637,bmse001215,BMET001215
31,covalent,SING,C14,C7,no,N,31,,22637,bmse001215,BMET001215
32,covalent,SING,C14,C12,no,N,32,,22637,bmse001215,BMET001215
33,covalent,SING,C14,C15,no,N,33,,22637,bmse001215,BMET001215
34,covalent,SING,C15,C5,no,N,34,,22637,bmse001215,BMET001215
35,covalent,SING,C15,C8,no,N,35,,22637,bmse001215,BMET001215
36,carbonyl,DOUB,O16,C12,no,N,36,,22637,bmse001215,BMET001215
37,carbonyl,DOUB,O17,C13,no,N,37,,22637,bmse001215,BMET001215
38,covalent,SING,O18,C15,no,N,38,,22637,bmse001215,BMET001215
39,covalent,SING,O18,H39,no,N,39,,22637,bmse001215,BMET001215
40,covalent,SING,O19,C11,no,N,40,,22637,bmse001215,BMET001215
41,ester,SING,O19,C13,no,N,41,,22637,bmse001215,BMET001215
1,covalent,AROM,C1,C7,yes,N,1,,22661,bmse001216,BMET001216
2,covalent,SING,C1,H21,no,N,2,,22661,bmse001216,BMET001216
3,covalent,AROM,C2,C8,yes,N,3,,22661,bmse001216,BMET001216
4,covalent,SING,C2,H22,no,N,4,,22661,bmse001216,BMET001216
5,covalent,AROM,C3,C1,yes,N,5,,22661,bmse001216,BMET001216
6,covalent,SING,C3,H23,no,N,6,,22661,bmse001216,BMET001216
7,covalent,AROM,C4,C2,yes,N,7,,22661,bmse001216,BMET001216
8,covalent,SING,C4,H24,no,N,8,,22661,bmse001216,BMET001216
9,covalent,AROM,C5,C7,yes,N,9,,22661,bmse001216,BMET001216
10,covalent,SING,C5,H25,no,N,10,,22661,bmse001216,BMET001216
11,covalent,AROM,C6,C8,yes,N,11,,22661,bmse001216,BMET001216
12,covalent,SING,C6,H26,no,N,12,,22661,bmse001216,BMET001216
13,covalent,AROM,C9,C3,yes,N,13,,22661,bmse001216,BMET001216
14,covalent,AROM,C9,C11,yes,N,14,,22661,bmse001216,BMET001216
15,covalent,AROM,C10,C4,yes,N,15,,22661,bmse001216,BMET001216
16,covalent,AROM,C10,C12,yes,N,16,,22661,bmse001216,BMET001216
17,covalent,AROM,C11,C5,yes,N,17,,22661,bmse001216,BMET001216
18,covalent,AROM,C12,C6,yes,N,18,,22661,bmse001216,BMET001216
19,covalent,AROM,C13,C9,yes,N,19,,22661,bmse001216,BMET001216
20,covalent,AROM,C13,C14,yes,N,20,,22661,bmse001216,BMET001216
21,covalent,AROM,C13,C15,yes,N,21,,22661,bmse001216,BMET001216
22,covalent,AROM,C14,C10,yes,N,22,,22661,bmse001216,BMET001216
23,covalent,SING,O16,C7,no,N,23,,22661,bmse001216,BMET001216
24,covalent,SING,O16,H27,no,N,24,,22661,bmse001216,BMET001216
25,covalent,SING,O17,C8,no,N,25,,22661,bmse001216,BMET001216
26,covalent,SING,O17,H28,no,N,26,,22661,bmse001216,BMET001216
27,carbonyl,DOUB,O18,C15,no,N,27,,22661,bmse001216,BMET001216
28,covalent,AROM,O19,C11,yes,N,28,,22661,bmse001216,BMET001216
29,covalent,AROM,O19,C14,yes,N,29,,22661,bmse001216,BMET001216
30,covalent,AROM,O20,C12,yes,N,30,,22661,bmse001216,BMET001216
31,ester,AROM,O20,C15,yes,N,31,,22661,bmse001216,BMET001216
1,covalent,SING,C1,H25,no,N,1,,22685,bmse001217,BMET001217
2,covalent,SING,C1,H26,no,N,2,,22685,bmse001217,BMET001217
3,covalent,SING,C1,H27,no,N,3,,22685,bmse001217,BMET001217
4,covalent,SING,C2,H28,no,N,4,,22685,bmse001217,BMET001217
5,covalent,SING,C2,H29,no,N,5,,22685,bmse001217,BMET001217
6,covalent,SING,C2,H30,no,N,6,,22685,bmse001217,BMET001217
7,covalent,SING,C3,C5,no,N,7,,22685,bmse001217,BMET001217
8,covalent,SING,C3,H31,no,N,8,,22685,bmse001217,BMET001217
9,covalent,SING,C3,H32,no,N,9,,22685,bmse001217,BMET001217
10,covalent,SING,C4,C1,no,N,10,,22685,bmse001217,BMET001217
11,covalent,SING,C4,H33,no,N,11,,22685,bmse001217,BMET001217
12,covalent,SING,C6,C3,no,N,12,,22685,bmse001217,BMET001217
13,covalent,SING,C6,H34,no,N,13,,22685,bmse001217,BMET001217
14,covalent,DOUB,C7,C5,no,N,14,,22685,bmse001217,BMET001217
15,covalent,SING,C7,C12,no,N,15,,22685,bmse001217,BMET001217
16,covalent,SING,C8,C7,no,N,16,,22685,bmse001217,BMET001217
17,covalent,SING,C8,C9,no,N,17,,22685,bmse001217,BMET001217
18,covalent,SING,C8,C10,no,N,18,,22685,bmse001217,BMET001217
19,covalent,SING,C8,H35,no,N,19,,22685,bmse001217,BMET001217
20,covalent,SING,C9,C6,no,N,20,,22685,bmse001217,BMET001217
21,covalent,SING,C9,H36,no,N,21,,22685,bmse001217,BMET001217
22,covalent,SING,C10,C14,no,N,22,,22685,bmse001217,BMET001217
23,covalent,SING,C10,H37,no,N,23,,22685,bmse001217,BMET001217
24,covalent,SING,C11,C4,no,N,24,,22685,bmse001217,BMET001217
25,covalent,SING,C13,H38,no,N,25,,22685,bmse001217,BMET001217
26,covalent,SING,C14,C2,no,N,26,,22685,bmse001217,BMET001217
27,covalent,SING,C14,C13,no,N,27,,22685,bmse001217,BMET001217
28,covalent,SING,Cl15,C13,no,N,28,,22685,bmse001217,BMET001217
29,covalent,SING,Cl16,C13,no,N,29,,22685,bmse001217,BMET001217
30,covalent,SING,N17,C4,no,N,30,,22685,bmse001217,BMET001217
31,covalent,SING,N17,H39,no,N,31,,22685,bmse001217,BMET001217
32,covalent,SING,N17,H40,no,N,32,,22685,bmse001217,BMET001217
33,covalent,SING,N18,C10,no,N,33,,22685,bmse001217,BMET001217
34,amide,SING,N18,C11,no,N,34,,22685,bmse001217,BMET001217
35,covalent,SING,N18,H41,no,N,35,,22685,bmse001217,BMET001217
36,covalent,SING,O19,C5,no,N,36,,22685,bmse001217,BMET001217
37,covalent,SING,O19,H42,no,N,37,,22685,bmse001217,BMET001217
38,covalent,SING,O20,C6,no,N,38,,22685,bmse001217,BMET001217
39,covalent,SING,O20,H43,no,N,39,,22685,bmse001217,BMET001217
40,covalent,SING,O21,C9,no,N,40,,22685,bmse001217,BMET001217
41,covalent,SING,O21,H44,no,N,41,,22685,bmse001217,BMET001217
42,carbonyl,DOUB,O22,C11,no,N,42,,22685,bmse001217,BMET001217
43,carbonyl,DOUB,O23,C12,no,N,43,,22685,bmse001217,BMET001217
44,ester,SING,O24,C12,no,N,44,,22685,bmse001217,BMET001217
45,covalent,SING,O24,C14,no,N,45,,22685,bmse001217,BMET001217
1,covalent,SING,C1,H33,no,N,1,,22709,bmse001218,BMET001218
2,covalent,SING,C1,H34,no,N,2,,22709,bmse001218,BMET001218
3,covalent,SING,C1,H35,no,N,3,,22709,bmse001218,BMET001218
4,covalent,SING,C2,H36,no,N,4,,22709,bmse001218,BMET001218
5,covalent,SING,C2,H37,no,N,5,,22709,bmse001218,BMET001218
6,covalent,SING,C2,H38,no,N,6,,22709,bmse001218,BMET001218
7,covalent,SING,C3,H39,no,N,7,,22709,bmse001218,BMET001218
8,covalent,SING,C3,H40,no,N,8,,22709,bmse001218,BMET001218
9,covalent,SING,C3,H41,no,N,9,,22709,bmse001218,BMET001218
10,covalent,SING,C4,H42,no,N,10,,22709,bmse001218,BMET001218
11,covalent,SING,C4,H43,no,N,11,,22709,bmse001218,BMET001218
12,covalent,SING,C4,H44,no,N,12,,22709,bmse001218,BMET001218
13,covalent,SING,C5,H45,no,N,13,,22709,bmse001218,BMET001218
14,covalent,SING,C5,H46,no,N,14,,22709,bmse001218,BMET001218
15,covalent,SING,C5,H47,no,N,15,,22709,bmse001218,BMET001218
16,covalent,DOUB,C6,C14,no,N,16,,22709,bmse001218,BMET001218
17,covalent,SING,C6,H48,no,N,17,,22709,bmse001218,BMET001218
18,covalent,AROM,C7,C9,yes,N,18,,22709,bmse001218,BMET001218
19,covalent,SING,C7,H49,no,N,19,,22709,bmse001218,BMET001218
20,covalent,AROM,C8,C10,yes,N,20,,22709,bmse001218,BMET001218
21,covalent,SING,C8,H50,no,N,21,,22709,bmse001218,BMET001218
22,covalent,AROM,C9,C16,yes,N,22,,22709,bmse001218,BMET001218
23,covalent,SING,C9,H51,no,N,23,,22709,bmse001218,BMET001218
24,covalent,AROM,C10,C16,yes,N,24,,22709,bmse001218,BMET001218
25,covalent,SING,C10,H52,no,N,25,,22709,bmse001218,BMET001218
26,covalent,SING,C11,C6,no,N,26,,22709,bmse001218,BMET001218
27,covalent,SING,C11,H53,no,N,27,,22709,bmse001218,BMET001218
28,covalent,SING,C11,H54,no,N,28,,22709,bmse001218,BMET001218
29,covalent,SING,C12,H55,no,N,29,,22709,bmse001218,BMET001218
30,covalent,DOUB,C13,C12,no,N,30,,22709,bmse001218,BMET001218
31,covalent,SING,C13,H56,no,N,31,,22709,bmse001218,BMET001218
32,covalent,SING,C14,C1,no,N,32,,22709,bmse001218,BMET001218
33,covalent,SING,C14,C2,no,N,33,,22709,bmse001218,BMET001218
34,covalent,AROM,C15,C7,yes,N,34,,22709,bmse001218,BMET001218
35,covalent,AROM,C15,C8,yes,N,35,,22709,bmse001218,BMET001218
36,covalent,SING,C17,C11,no,N,36,,22709,bmse001218,BMET001218
37,covalent,AROM,C17,C24,yes,N,37,,22709,bmse001218,BMET001218
38,covalent,SING,C18,C12,no,N,38,,22709,bmse001218,BMET001218
39,covalent,AROM,C18,C23,yes,N,39,,22709,bmse001218,BMET001218
40,covalent,SING,C19,C15,no,N,40,,22709,bmse001218,BMET001218
41,covalent,AROM,C19,C25,yes,N,41,,22709,bmse001218,BMET001218
42,covalent,AROM,C20,C21,yes,N,42,,22709,bmse001218,BMET001218
43,covalent,AROM,C20,C23,yes,N,43,,22709,bmse001218,BMET001218
44,covalent,AROM,C21,C19,yes,N,44,,22709,bmse001218,BMET001218
45,covalent,AROM,C22,C17,yes,N,45,,22709,bmse001218,BMET001218
46,covalent,AROM,C22,C18,yes,N,46,,22709,bmse001218,BMET001218
47,covalent,AROM,C24,C20,yes,N,47,,22709,bmse001218,BMET001218
48,covalent,SING,C26,C3,no,N,48,,22709,bmse001218,BMET001218
49,covalent,SING,C26,C4,no,N,49,,22709,bmse001218,BMET001218
50,covalent,SING,C26,C13,no,N,50,,22709,bmse001218,BMET001218
51,covalent,SING,O27,C16,no,N,51,,22709,bmse001218,BMET001218
52,covalent,SING,O27,H57,no,N,52,,22709,bmse001218,BMET001218
53,covalent,SING,O28,C21,no,N,53,,22709,bmse001218,BMET001218
54,covalent,SING,O28,H58,no,N,54,,22709,bmse001218,BMET001218
55,carbonyl,DOUB,O29,C25,no,N,55,,22709,bmse001218,BMET001218
56,covalent,SING,O30,C5,no,N,56,,22709,bmse001218,BMET001218
57,covalent,SING,O30,C23,no,N,57,,22709,bmse001218,BMET001218
58,covalent,AROM,O31,C24,yes,N,58,,22709,bmse001218,BMET001218
59,ester,AROM,O31,C25,yes,N,59,,22709,bmse001218,BMET001218
60,covalent,SING,O32,C22,no,N,60,,22709,bmse001218,BMET001218
61,covalent,SING,O32,C26,no,N,61,,22709,bmse001218,BMET001218
1,covalent,SING,C1,H23,no,N,1,,22733,bmse001219,BMET001219
2,covalent,SING,C1,H24,no,N,2,,22733,bmse001219,BMET001219
3,covalent,SING,C1,H25,no,N,3,,22733,bmse001219,BMET001219
4,covalent,SING,C2,H26,no,N,4,,22733,bmse001219,BMET001219
5,covalent,SING,C2,H27,no,N,5,,22733,bmse001219,BMET001219
6,covalent,SING,C3,H28,no,N,6,,22733,bmse001219,BMET001219
7,covalent,SING,C3,H29,no,N,7,,22733,bmse001219,BMET001219
8,covalent,SING,C3,H30,no,N,8,,22733,bmse001219,BMET001219
9,covalent,SING,C4,H31,no,N,9,,22733,bmse001219,BMET001219
10,covalent,SING,C4,H32,no,N,10,,22733,bmse001219,BMET001219
11,covalent,SING,C4,H33,no,N,11,,22733,bmse001219,BMET001219
12,covalent,SING,C5,C9,no,N,12,,22733,bmse001219,BMET001219
13,covalent,SING,C5,H34,no,N,13,,22733,bmse001219,BMET001219
14,covalent,SING,C5,H35,no,N,14,,22733,bmse001219,BMET001219
15,covalent,SING,C6,C5,no,N,15,,22733,bmse001219,BMET001219
16,covalent,SING,C6,H36,no,N,16,,22733,bmse001219,BMET001219
17,covalent,SING,C6,H37,no,N,17,,22733,bmse001219,BMET001219
18,covalent,SING,C7,H38,no,N,18,,22733,bmse001219,BMET001219
19,covalent,SING,C8,C13,no,N,19,,22733,bmse001219,BMET001219
20,covalent,SING,C8,H39,no,N,20,,22733,bmse001219,BMET001219
21,covalent,SING,C8,H40,no,N,21,,22733,bmse001219,BMET001219
22,covalent,SING,C9,C1,no,N,22,,22733,bmse001219,BMET001219
23,covalent,DOUB,C9,C7,no,N,23,,22733,bmse001219,BMET001219
24,covalent,DOUB,C10,C2,no,N,24,,22733,bmse001219,BMET001219
25,covalent,SING,C10,C16,no,N,25,,22733,bmse001219,BMET001219
26,covalent,SING,C11,C3,no,N,26,,22733,bmse001219,BMET001219
27,covalent,SING,C12,C7,no,N,27,,22733,bmse001219,BMET001219
28,covalent,SING,C12,H41,no,N,28,,22733,bmse001219,BMET001219
29,covalent,SING,C13,C15,no,N,29,,22733,bmse001219,BMET001219
30,covalent,SING,C13,H42,no,N,30,,22733,bmse001219,BMET001219
31,covalent,SING,C14,C6,no,N,31,,22733,bmse001219,BMET001219
32,covalent,SING,C14,H43,no,N,32,,22733,bmse001219,BMET001219
33,covalent,SING,C15,C10,no,N,33,,22733,bmse001219,BMET001219
34,covalent,SING,C15,C12,no,N,34,,22733,bmse001219,BMET001219
35,covalent,SING,C15,H44,no,N,35,,22733,bmse001219,BMET001219
36,covalent,SING,C17,C4,no,N,36,,22733,bmse001219,BMET001219
37,covalent,SING,C17,C8,no,N,37,,22733,bmse001219,BMET001219
38,covalent,SING,C17,C14,no,N,38,,22733,bmse001219,BMET001219
39,carbonyl,DOUB,O18,C11,no,N,39,,22733,bmse001219,BMET001219
40,carbonyl,DOUB,O19,C16,no,N,40,,22733,bmse001219,BMET001219
41,ester,SING,O20,C11,no,N,41,,22733,bmse001219,BMET001219
42,covalent,SING,O20,C12,no,N,42,,22733,bmse001219,BMET001219
43,covalent,SING,O21,C13,no,N,43,,22733,bmse001219,BMET001219
44,ester,SING,O21,C16,no,N,44,,22733,bmse001219,BMET001219
45,covalent,SING,O22,C14,no,N,45,,22733,bmse001219,BMET001219
46,covalent,SING,O22,C17,no,N,46,,22733,bmse001219,BMET001219
1,covalent,SING,C1,H29,no,N,1,,22757,bmse001220,BMET001220
2,covalent,SING,C1,H30,no,N,2,,22757,bmse001220,BMET001220
3,covalent,SING,C1,H31,no,N,3,,22757,bmse001220,BMET001220
4,covalent,SING,C2,H32,no,N,4,,22757,bmse001220,BMET001220
5,covalent,SING,C2,H33,no,N,5,,22757,bmse001220,BMET001220
6,covalent,SING,C2,H34,no,N,6,,22757,bmse001220,BMET001220
7,covalent,SING,C3,H35,no,N,7,,22757,bmse001220,BMET001220
8,covalent,SING,C3,H36,no,N,8,,22757,bmse001220,BMET001220
9,covalent,SING,C3,H37,no,N,9,,22757,bmse001220,BMET001220
10,covalent,AROM,C4,C13,yes,N,10,,22757,bmse001220,BMET001220
11,covalent,SING,C4,H38,no,N,11,,22757,bmse001220,BMET001220
12,covalent,AROM,C5,C4,yes,N,12,,22757,bmse001220,BMET001220
13,covalent,SING,C5,H39,no,N,13,,22757,bmse001220,BMET001220
14,covalent,SING,C6,H40,no,N,14,,22757,bmse001220,BMET001220
15,covalent,SING,C6,H41,no,N,15,,22757,bmse001220,BMET001220
16,covalent,SING,C7,C6,no,N,16,,22757,bmse001220,BMET001220
17,covalent,SING,C7,H42,no,N,17,,22757,bmse001220,BMET001220
18,covalent,SING,C7,H43,no,N,18,,22757,bmse001220,BMET001220
19,covalent,AROM,C8,C13,yes,N,19,,22757,bmse001220,BMET001220
20,covalent,SING,C8,H44,no,N,20,,22757,bmse001220,BMET001220
21,covalent,SING,C9,H45,no,N,21,,22757,bmse001220,BMET001220
22,covalent,SING,C9,H46,no,N,22,,22757,bmse001220,BMET001220
23,covalent,SING,C10,H47,no,N,23,,22757,bmse001220,BMET001220
24,covalent,SING,C10,H48,no,N,24,,22757,bmse001220,BMET001220
25,covalent,SING,C11,H49,no,N,25,,22757,bmse001220,BMET001220
26,covalent,SING,C12,C1,no,N,26,,22757,bmse001220,BMET001220
27,covalent,SING,C12,H50,no,N,27,,22757,bmse001220,BMET001220
28,covalent,AROM,C14,C5,yes,N,28,,22757,bmse001220,BMET001220
29,covalent,AROM,C14,C19,yes,N,29,,22757,bmse001220,BMET001220
30,covalent,SING,C15,C6,no,N,30,,22757,bmse001220,BMET001220
31,covalent,AROM,C15,C14,yes,N,31,,22757,bmse001220,BMET001220
32,covalent,SING,C16,C9,no,N,32,,22757,bmse001220,BMET001220
33,covalent,SING,C16,C18,no,N,33,,22757,bmse001220,BMET001220
34,covalent,SING,C16,H51,no,N,34,,22757,bmse001220,BMET001220
35,covalent,SING,C17,C10,no,N,35,,22757,bmse001220,BMET001220
36,covalent,SING,C17,C12,no,N,36,,22757,bmse001220,BMET001220
37,covalent,SING,C17,C16,no,N,37,,22757,bmse001220,BMET001220
38,covalent,SING,C17,H52,no,N,38,,22757,bmse001220,BMET001220
39,covalent,DOUB,C18,C11,no,N,39,,22757,bmse001220,BMET001220
40,covalent,SING,C18,C22,no,N,40,,22757,bmse001220,BMET001220
41,covalent,AROM,C19,C8,yes,N,41,,22757,bmse001220,BMET001220
42,covalent,SING,C20,C9,no,N,42,,22757,bmse001220,BMET001220
43,covalent,SING,C20,C21,no,N,43,,22757,bmse001220,BMET001220
44,covalent,SING,C20,H53,no,N,44,,22757,bmse001220,BMET001220
45,covalent,AROM,C21,C15,yes,N,45,,22757,bmse001220,BMET001220
46,covalent,AROM,N23,C19,yes,N,46,,22757,bmse001220,BMET001220
47,covalent,AROM,N23,C21,yes,N,47,,22757,bmse001220,BMET001220
48,covalent,SING,N23,H54,no,N,48,,22757,bmse001220,BMET001220
49,covalent,SING,N24,C7,no,N,49,,22757,bmse001220,BMET001220
50,covalent,SING,N24,C10,no,N,50,,22757,bmse001220,BMET001220
51,covalent,SING,N24,C20,no,N,51,,22757,bmse001220,BMET001220
52,carbonyl,DOUB,O25,C22,no,N,52,,22757,bmse001220,BMET001220
53,covalent,SING,O26,C2,no,N,53,,22757,bmse001220,BMET001220
54,covalent,SING,O26,C13,no,N,54,,22757,bmse001220,BMET001220
55,covalent,SING,O27,C3,no,N,55,,22757,bmse001220,BMET001220
56,ester,SING,O27,C22,no,N,56,,22757,bmse001220,BMET001220
57,covalent,SING,O28,C11,no,N,57,,22757,bmse001220,BMET001220
58,covalent,SING,O28,C12,no,N,58,,22757,bmse001220,BMET001220
1,covalent,SING,C1,H18,no,N,1,,22781,bmse001221,BMET001221
2,covalent,SING,C1,H19,no,N,2,,22781,bmse001221,BMET001221
3,covalent,SING,C1,H20,no,N,3,,22781,bmse001221,BMET001221
4,covalent,SING,C2,H21,no,N,4,,22781,bmse001221,BMET001221
5,covalent,SING,C2,H22,no,N,5,,22781,bmse001221,BMET001221
6,covalent,SING,C2,H23,no,N,6,,22781,bmse001221,BMET001221
7,covalent,SING,C3,H24,no,N,7,,22781,bmse001221,BMET001221
8,covalent,SING,C3,H25,no,N,8,,22781,bmse001221,BMET001221
9,covalent,SING,C3,H26,no,N,9,,22781,bmse001221,BMET001221
10,covalent,SING,C4,H27,no,N,10,,22781,bmse001221,BMET001221
11,covalent,SING,C4,H28,no,N,11,,22781,bmse001221,BMET001221
12,covalent,SING,C4,H29,no,N,12,,22781,bmse001221,BMET001221
13,covalent,SING,C5,H30,no,N,13,,22781,bmse001221,BMET001221
14,covalent,SING,C5,H31,no,N,14,,22781,bmse001221,BMET001221
15,covalent,SING,C6,C10,no,N,15,,22781,bmse001221,BMET001221
16,covalent,SING,C6,H32,no,N,16,,22781,bmse001221,BMET001221
17,covalent,SING,C6,H33,no,N,17,,22781,bmse001221,BMET001221
18,covalent,SING,C7,C11,no,N,18,,22781,bmse001221,BMET001221
19,covalent,SING,C7,H34,no,N,19,,22781,bmse001221,BMET001221
20,covalent,SING,C7,H35,no,N,20,,22781,bmse001221,BMET001221
21,covalent,SING,C8,C5,no,N,21,,22781,bmse001221,BMET001221
22,covalent,SING,C8,H36,no,N,22,,22781,bmse001221,BMET001221
23,covalent,SING,C8,H37,no,N,23,,22781,bmse001221,BMET001221
24,covalent,SING,C9,C5,no,N,24,,22781,bmse001221,BMET001221
25,covalent,SING,C9,H38,no,N,25,,22781,bmse001221,BMET001221
26,covalent,SING,C9,H39,no,N,26,,22781,bmse001221,BMET001221
27,covalent,SING,C10,H40,no,N,27,,22781,bmse001221,BMET001221
28,covalent,SING,C10,H41,no,N,28,,22781,bmse001221,BMET001221
29,covalent,SING,C11,H42,no,N,29,,22781,bmse001221,BMET001221
30,covalent,SING,C11,H43,no,N,30,,22781,bmse001221,BMET001221
31,covalent,SING,C12,C6,no,N,31,,22781,bmse001221,BMET001221
32,covalent,SING,C12,C14,no,N,32,,22781,bmse001221,BMET001221
33,covalent,SING,C12,H44,no,N,33,,22781,bmse001221,BMET001221
34,covalent,SING,C13,C7,no,N,34,,22781,bmse001221,BMET001221
35,covalent,SING,C13,C16,no,N,35,,22781,bmse001221,BMET001221
36,covalent,SING,C13,H45,no,N,36,,22781,bmse001221,BMET001221
37,covalent,SING,C14,C1,no,N,37,,22781,bmse001221,BMET001221
38,covalent,SING,C14,C2,no,N,38,,22781,bmse001221,BMET001221
39,covalent,SING,C14,C8,no,N,39,,22781,bmse001221,BMET001221
40,covalent,SING,C15,C3,no,N,40,,22781,bmse001221,BMET001221
41,covalent,SING,C15,C9,no,N,41,,22781,bmse001221,BMET001221
42,covalent,SING,C15,C12,no,N,42,,22781,bmse001221,BMET001221
43,covalent,SING,C15,C13,no,N,43,,22781,bmse001221,BMET001221
44,covalent,SING,C16,C4,no,N,44,,22781,bmse001221,BMET001221
45,covalent,SING,C16,C10,no,N,45,,22781,bmse001221,BMET001221
46,covalent,SING,O17,C11,no,N,46,,22781,bmse001221,BMET001221
47,covalent,SING,O17,C16,no,N,47,,22781,bmse001221,BMET001221
1,covalent,SING,C1,H14,no,N,1,,22805,bmse001222,BMET001222
2,covalent,SING,C1,H15,no,N,2,,22805,bmse001222,BMET001222
3,covalent,SING,C2,C1,no,N,3,,22805,bmse001222,BMET001222
4,covalent,SING,C2,H16,no,N,4,,22805,bmse001222,BMET001222
5,covalent,SING,C2,H17,no,N,5,,22805,bmse001222,BMET001222
6,covalent,SING,C3,C5,no,N,6,,22805,bmse001222,BMET001222
7,covalent,SING,C3,H18,no,N,7,,22805,bmse001222,BMET001222
8,covalent,SING,C3,H19,no,N,8,,22805,bmse001222,BMET001222
9,covalent,SING,C4,C1,no,N,9,,22805,bmse001222,BMET001222
10,covalent,SING,C4,H20,no,N,10,,22805,bmse001222,BMET001222
11,covalent,SING,C5,H21,no,N,11,,22805,bmse001222,BMET001222
12,covalent,SING,C6,C4,no,N,12,,22805,bmse001222,BMET001222
13,covalent,SING,C6,C8,no,N,13,,22805,bmse001222,BMET001222
14,covalent,SING,C6,H22,no,N,14,,22805,bmse001222,BMET001222
15,covalent,SING,C7,C5,no,N,15,,22805,bmse001222,BMET001222
16,covalent,SING,C7,H23,no,N,16,,22805,bmse001222,BMET001222
17,covalent,SING,C8,C7,no,N,17,,22805,bmse001222,BMET001222
18,covalent,SING,C8,H24,no,N,18,,22805,bmse001222,BMET001222
19,covalent,SING,N9,C2,no,N,19,,22805,bmse001222,BMET001222
20,covalent,SING,N9,C3,no,N,20,,22805,bmse001222,BMET001222
21,covalent,SING,N9,C6,no,N,21,,22805,bmse001222,BMET001222
22,covalent,SING,O10,C4,no,N,22,,22805,bmse001222,BMET001222
23,covalent,SING,O10,H25,no,N,23,,22805,bmse001222,BMET001222
24,covalent,SING,O11,C5,no,N,24,,22805,bmse001222,BMET001222
25,covalent,SING,O11,H26,no,N,25,,22805,bmse001222,BMET001222
26,covalent,SING,O12,C7,no,N,26,,22805,bmse001222,BMET001222
27,covalent,SING,O12,H27,no,N,27,,22805,bmse001222,BMET001222
28,covalent,SING,O13,C8,no,N,28,,22805,bmse001222,BMET001222
29,covalent,SING,O13,H28,no,N,29,,22805,bmse001222,BMET001222
1,covalent,SING,C1,H18,no,N,1,,22829,bmse001223,BMET001223
2,covalent,SING,C1,H19,no,N,2,,22829,bmse001223,BMET001223
3,covalent,SING,C1,H20,no,N,3,,22829,bmse001223,BMET001223
4,covalent,SING,C2,H21,no,N,4,,22829,bmse001223,BMET001223
5,covalent,AROM,C3,C2,yes,N,5,,22829,bmse001223,BMET001223
6,covalent,SING,C3,H22,no,N,6,,22829,bmse001223,BMET001223
7,covalent,AROM,C4,C2,yes,N,7,,22829,bmse001223,BMET001223
8,covalent,SING,C4,H23,no,N,8,,22829,bmse001223,BMET001223
9,covalent,AROM,C5,C3,yes,N,9,,22829,bmse001223,BMET001223
10,covalent,SING,C5,H24,no,N,10,,22829,bmse001223,BMET001223
11,covalent,SING,C6,H25,no,N,11,,22829,bmse001223,BMET001223
12,covalent,SING,C6,H26,no,N,12,,22829,bmse001223,BMET001223
13,covalent,SING,C7,H27,no,N,13,,22829,bmse001223,BMET001223
14,covalent,SING,C7,H28,no,N,14,,22829,bmse001223,BMET001223
15,covalent,SING,C8,C6,no,N,15,,22829,bmse001223,BMET001223
16,covalent,SING,C8,C7,no,N,16,,22829,bmse001223,BMET001223
17,covalent,SING,C8,H29,no,N,17,,22829,bmse001223,BMET001223
18,covalent,AROM,C9,C4,yes,N,18,,22829,bmse001223,BMET001223
19,covalent,AROM,C10,C5,yes,N,19,,22829,bmse001223,BMET001223
20,covalent,AROM,C10,C9,yes,N,20,,22829,bmse001223,BMET001223
21,amide,SING,N12,C11,no,N,21,,22829,bmse001223,BMET001223
22,covalent,SING,N12,H30,no,N,22,,22829,bmse001223,BMET001223
23,covalent,SING,N12,H31,no,N,23,,22829,bmse001223,BMET001223
24,covalent,SING,O13,C8,no,N,24,,22829,bmse001223,BMET001223
25,covalent,SING,O13,H32,no,N,25,,22829,bmse001223,BMET001223
26,carbonyl,DOUB,O14,C11,no,N,26,,22829,bmse001223,BMET001223
27,covalent,SING,O15,C1,no,N,27,,22829,bmse001223,BMET001223
28,covalent,SING,O15,C9,no,N,28,,22829,bmse001223,BMET001223
29,covalent,SING,O16,C6,no,N,29,,22829,bmse001223,BMET001223
30,covalent,SING,O16,C10,no,N,30,,22829,bmse001223,BMET001223
31,covalent,SING,O17,C7,no,N,31,,22829,bmse001223,BMET001223
32,ester,SING,O17,C11,no,N,32,,22829,bmse001223,BMET001223
1,covalent,SING,C1,H14,no,N,1,,22853,bmse001224,BMET001224
2,covalent,SING,C1,H15,no,N,2,,22853,bmse001224,BMET001224
3,covalent,SING,C1,H16,no,N,3,,22853,bmse001224,BMET001224
4,covalent,SING,C2,H17,no,N,4,,22853,bmse001224,BMET001224
5,covalent,SING,C2,H18,no,N,5,,22853,bmse001224,BMET001224
6,covalent,SING,C2,H19,no,N,6,,22853,bmse001224,BMET001224
7,covalent,SING,C3,H20,no,N,7,,22853,bmse001224,BMET001224
8,covalent,SING,C4,H21,no,N,8,,22853,bmse001224,BMET001224
9,covalent,SING,C4,H22,no,N,9,,22853,bmse001224,BMET001224
10,covalent,SING,C5,H23,no,N,10,,22853,bmse001224,BMET001224
11,covalent,SING,C5,H24,no,N,11,,22853,bmse001224,BMET001224
12,covalent,SING,C6,C1,no,N,12,,22853,bmse001224,BMET001224
13,covalent,AROM,C7,C3,yes,N,13,,22853,bmse001224,BMET001224
14,covalent,SING,C7,C4,no,N,14,,22853,bmse001224,BMET001224
15,covalent,SING,C8,C5,no,N,15,,22853,bmse001224,BMET001224
16,covalent,AROM,C8,C7,yes,N,16,,22853,bmse001224,BMET001224
17,covalent,AROM,C8,C9,yes,N,17,,22853,bmse001224,BMET001224
18,covalent,AROM,C9,C6,yes,N,18,,22853,bmse001224,BMET001224
19,covalent,AROM,N10,C3,yes,N,19,,22853,bmse001224,BMET001224
20,covalent,AROM,N10,C6,yes,N,20,,22853,bmse001224,BMET001224
21,covalent,SING,O11,C4,no,N,21,,22853,bmse001224,BMET001224
22,covalent,SING,O11,H25,no,N,22,,22853,bmse001224,BMET001224
23,covalent,SING,O12,C9,no,N,23,,22853,bmse001224,BMET001224
24,covalent,SING,O12,H26,no,N,24,,22853,bmse001224,BMET001224
25,covalent,SING,O13,C2,no,N,25,,22853,bmse001224,BMET001224
26,covalent,SING,O13,C5,no,N,26,,22853,bmse001224,BMET001224
1,covalent,SING,C1,H12,no,N,1,,22876,bmse001225,BMET001225
2,covalent,SING,C1,H13,no,N,2,,22876,bmse001225,BMET001225
3,covalent,SING,C1,H14,no,N,3,,22876,bmse001225,BMET001225
4,covalent,SING,C2,H15,no,N,4,,22876,bmse001225,BMET001225
5,covalent,SING,C2,H16,no,N,5,,22876,bmse001225,BMET001225
6,covalent,SING,C2,H17,no,N,6,,22876,bmse001225,BMET001225
7,covalent,SING,C3,C4,no,N,7,,22876,bmse001225,BMET001225
8,covalent,SING,C3,H18,no,N,8,,22876,bmse001225,BMET001225
9,covalent,SING,C3,H19,no,N,9,,22876,bmse001225,BMET001225
10,covalent,SING,C4,H20,no,N,10,,22876,bmse001225,BMET001225
11,covalent,SING,C5,C3,no,N,11,,22876,bmse001225,BMET001225
12,covalent,SING,C5,H21,no,N,12,,22876,bmse001225,BMET001225
13,covalent,SING,C5,H22,no,N,13,,22876,bmse001225,BMET001225
14,covalent,SING,C6,C7,no,N,14,,22876,bmse001225,BMET001225
15,covalent,SING,C6,H23,no,N,15,,22876,bmse001225,BMET001225
16,covalent,SING,C6,H24,no,N,16,,22876,bmse001225,BMET001225
17,covalent,DOUB,C7,C4,no,N,17,,22876,bmse001225,BMET001225
18,covalent,SING,C7,C8,no,N,18,,22876,bmse001225,BMET001225
19,covalent,SING,N9,C1,no,N,19,,22876,bmse001225,BMET001225
20,covalent,SING,N9,C5,no,N,20,,22876,bmse001225,BMET001225
21,covalent,SING,N9,C6,no,N,21,,22876,bmse001225,BMET001225
22,carbonyl,DOUB,O10,C8,no,N,22,,22876,bmse001225,BMET001225
23,covalent,SING,O11,C2,no,N,23,,22876,bmse001225,BMET001225
24,ester,SING,O11,C8,no,N,24,,22876,bmse001225,BMET001225
1,covalent,SING,C1,H12,no,N,1,,22900,bmse001226,BMET001226
2,covalent,SING,C1,H13,no,N,2,,22900,bmse001226,BMET001226
3,covalent,SING,C1,H14,no,N,3,,22900,bmse001226,BMET001226
4,covalent,SING,C2,H15,no,N,4,,22900,bmse001226,BMET001226
5,covalent,SING,C2,H16,no,N,5,,22900,bmse001226,BMET001226
6,covalent,SING,C2,H17,no,N,6,,22900,bmse001226,BMET001226
7,covalent,SING,C3,H18,no,N,7,,22900,bmse001226,BMET001226
8,covalent,SING,C3,H19,no,N,8,,22900,bmse001226,BMET001226
9,covalent,SING,C3,H20,no,N,9,,22900,bmse001226,BMET001226
10,covalent,SING,C4,H21,no,N,10,,22900,bmse001226,BMET001226
11,covalent,SING,C4,H22,no,N,11,,22900,bmse001226,BMET001226
12,covalent,SING,C5,C4,no,N,12,,22900,bmse001226,BMET001226
13,covalent,SING,C5,H23,no,N,13,,22900,bmse001226,BMET001226
14,covalent,SING,C5,H24,no,N,14,,22900,bmse001226,BMET001226
15,covalent,SING,C6,H25,no,N,15,,22900,bmse001226,BMET001226
16,covalent,SING,C6,H26,no,N,16,,22900,bmse001226,BMET001226
17,covalent,SING,C7,C4,no,N,17,,22900,bmse001226,BMET001226
18,covalent,SING,C7,C6,no,N,18,,22900,bmse001226,BMET001226
19,covalent,SING,C7,H27,no,N,19,,22900,bmse001226,BMET001226
20,covalent,SING,C8,C6,no,N,20,,22900,bmse001226,BMET001226
21,covalent,SING,C8,H28,no,N,21,,22900,bmse001226,BMET001226
22,covalent,SING,C9,C1,no,N,22,,22900,bmse001226,BMET001226
23,covalent,SING,C9,C2,no,N,23,,22900,bmse001226,BMET001226
24,covalent,SING,C9,C7,no,N,24,,22900,bmse001226,BMET001226
25,covalent,SING,C10,C3,no,N,25,,22900,bmse001226,BMET001226
26,covalent,SING,C10,C5,no,N,26,,22900,bmse001226,BMET001226
27,covalent,SING,C10,C8,no,N,27,,22900,bmse001226,BMET001226
28,covalent,SING,C10,C9,no,N,28,,22900,bmse001226,BMET001226
29,covalent,SING,O11,C8,no,N,29,,22900,bmse001226,BMET001226
30,covalent,SING,O11,H29,no,N,30,,22900,bmse001226,BMET001226
1,covalent,SING,C1,H18,no,N,1,,22924,bmse001227,BMET001227
2,covalent,SING,C1,H19,no,N,2,,22924,bmse001227,BMET001227
3,covalent,SING,C1,H20,no,N,3,,22924,bmse001227,BMET001227
4,covalent,SING,C2,H21,no,N,4,,22924,bmse001227,BMET001227
5,covalent,AROM,C3,C2,yes,N,5,,22924,bmse001227,BMET001227
6,covalent,SING,C3,H22,no,N,6,,22924,bmse001227,BMET001227
7,covalent,AROM,C4,C2,yes,N,7,,22924,bmse001227,BMET001227
8,covalent,SING,C4,H23,no,N,8,,22924,bmse001227,BMET001227
9,covalent,AROM,C5,C3,yes,N,9,,22924,bmse001227,BMET001227
10,covalent,SING,C5,H24,no,N,10,,22924,bmse001227,BMET001227
11,covalent,AROM,C6,C4,yes,N,11,,22924,bmse001227,BMET001227
12,covalent,SING,C6,H25,no,N,12,,22924,bmse001227,BMET001227
13,covalent,SING,C7,C11,no,N,13,,22924,bmse001227,BMET001227
14,covalent,SING,C7,H26,no,N,14,,22924,bmse001227,BMET001227
15,covalent,DOUB,C8,C7,no,E,15,,22924,bmse001227,BMET001227
16,covalent,SING,C8,H27,no,N,16,,22924,bmse001227,BMET001227
17,covalent,SING,C9,C13,no,N,17,,22924,bmse001227,BMET001227
18,covalent,SING,C9,H28,no,N,18,,22924,bmse001227,BMET001227
19,covalent,SING,C9,H29,no,N,19,,22924,bmse001227,BMET001227
20,covalent,SING,C10,C14,no,N,20,,22924,bmse001227,BMET001227
21,covalent,SING,C10,H30,no,N,21,,22924,bmse001227,BMET001227
22,covalent,AROM,C11,C5,yes,N,22,,22924,bmse001227,BMET001227
23,covalent,AROM,C11,C6,yes,N,23,,22924,bmse001227,BMET001227
24,covalent,SING,C12,C8,no,N,24,,22924,bmse001227,BMET001227
25,covalent,SING,C12,C9,no,N,25,,22924,bmse001227,BMET001227
26,covalent,SING,C12,H31,no,N,26,,22924,bmse001227,BMET001227
27,covalent,DOUB,C13,C10,no,N,27,,22924,bmse001227,BMET001227
28,carbonyl,DOUB,O15,C14,no,N,28,,22924,bmse001227,BMET001227
29,covalent,SING,O16,C1,no,N,29,,22924,bmse001227,BMET001227
30,covalent,SING,O16,C13,no,N,30,,22924,bmse001227,BMET001227
31,covalent,SING,O17,C12,no,N,31,,22924,bmse001227,BMET001227
32,ester,SING,O17,C14,no,N,32,,22924,bmse001227,BMET001227
1,covalent,SING,C1,H17,no,N,1,,22948,bmse001228,BMET001228
2,covalent,SING,C1,H18,no,N,2,,22948,bmse001228,BMET001228
3,covalent,SING,C1,H19,no,N,3,,22948,bmse001228,BMET001228
4,covalent,DOUB,C2,C7,no,E,4,,22948,bmse001228,BMET001228
5,covalent,SING,C2,H20,no,N,5,,22948,bmse001228,BMET001228
6,covalent,SING,C3,C2,no,N,6,,22948,bmse001228,BMET001228
7,covalent,SING,C3,H21,no,N,7,,22948,bmse001228,BMET001228
8,covalent,SING,C3,H22,no,N,8,,22948,bmse001228,BMET001228
9,covalent,SING,C4,H23,no,N,9,,22948,bmse001228,BMET001228
10,covalent,SING,C4,H24,no,N,10,,22948,bmse001228,BMET001228
11,covalent,SING,C5,H25,no,N,11,,22948,bmse001228,BMET001228
12,covalent,SING,C6,H26,no,N,12,,22948,bmse001228,BMET001228
13,covalent,SING,C7,C1,no,N,13,,22948,bmse001228,BMET001228
14,covalent,SING,C7,C4,no,N,14,,22948,bmse001228,BMET001228
15,covalent,AROM,C8,C9,yes,N,15,,22948,bmse001228,BMET001228
16,covalent,AROM,C8,C10,yes,N,16,,22948,bmse001228,BMET001228
17,covalent,SING,N11,C3,no,N,17,,22948,bmse001228,BMET001228
18,covalent,SING,N11,C9,no,N,18,,22948,bmse001228,BMET001228
19,covalent,SING,N11,H27,no,N,19,,22948,bmse001228,BMET001228
20,covalent,AROM,N12,C5,yes,N,20,,22948,bmse001228,BMET001228
21,covalent,AROM,N12,C8,yes,N,21,,22948,bmse001228,BMET001228
22,covalent,SING,N12,H28,no,N,22,,22948,bmse001228,BMET001228
23,covalent,AROM,N13,C5,yes,N,23,,22948,bmse001228,BMET001228
24,covalent,AROM,N13,C10,yes,N,24,,22948,bmse001228,BMET001228
25,covalent,AROM,N14,C6,yes,N,25,,22948,bmse001228,BMET001228
26,covalent,AROM,N14,C9,yes,N,26,,22948,bmse001228,BMET001228
27,covalent,AROM,N15,C6,yes,N,27,,22948,bmse001228,BMET001228
28,covalent,AROM,N15,C10,yes,N,28,,22948,bmse001228,BMET001228
29,covalent,SING,O16,C4,no,N,29,,22948,bmse001228,BMET001228
30,covalent,SING,O16,H29,no,N,30,,22948,bmse001228,BMET001228
1,covalent,SING,C1,H11,no,N,1,,22972,bmse001229,BMET001229
2,covalent,SING,C1,H12,no,N,2,,22972,bmse001229,BMET001229
3,covalent,SING,C1,H13,no,N,3,,22972,bmse001229,BMET001229
4,covalent,SING,C2,H14,no,N,4,,22972,bmse001229,BMET001229
5,covalent,SING,C2,H15,no,N,5,,22972,bmse001229,BMET001229
6,covalent,SING,C3,C2,no,N,6,,22972,bmse001229,BMET001229
7,covalent,SING,C3,H16,no,N,7,,22972,bmse001229,BMET001229
8,covalent,SING,C3,H17,no,N,8,,22972,bmse001229,BMET001229
9,covalent,SING,C4,C8,no,N,9,,22972,bmse001229,BMET001229
10,covalent,SING,C4,H18,no,N,10,,22972,bmse001229,BMET001229
11,covalent,SING,C4,H19,no,N,11,,22972,bmse001229,BMET001229
12,covalent,SING,C5,C8,no,N,12,,22972,bmse001229,BMET001229
13,covalent,SING,C5,H20,no,N,13,,22972,bmse001229,BMET001229
14,covalent,SING,C5,H21,no,N,14,,22972,bmse001229,BMET001229
15,covalent,SING,C6,C2,no,N,15,,22972,bmse001229,BMET001229
16,covalent,SING,C6,C4,no,N,16,,22972,bmse001229,BMET001229
17,covalent,SING,C6,H22,no,N,17,,22972,bmse001229,BMET001229
18,covalent,SING,C7,C3,no,N,18,,22972,bmse001229,BMET001229
19,covalent,SING,C7,C5,no,N,19,,22972,bmse001229,BMET001229
20,covalent,SING,C7,H23,no,N,20,,22972,bmse001229,BMET001229
21,covalent,SING,N9,C1,no,N,21,,22972,bmse001229,BMET001229
22,covalent,SING,N9,C6,no,N,22,,22972,bmse001229,BMET001229
23,covalent,SING,N9,C7,no,N,23,,22972,bmse001229,BMET001229
24,carbonyl,DOUB,O10,C8,no,N,24,,22972,bmse001229,BMET001229
1,covalent,SING,C1,H12,no,N,1,,22996,bmse001230,BMET001230
2,covalent,SING,C1,H13,no,N,2,,22996,bmse001230,BMET001230
3,covalent,SING,C1,H14,no,N,3,,22996,bmse001230,BMET001230
4,covalent,SING,C2,H15,no,N,4,,22996,bmse001230,BMET001230
5,covalent,SING,C2,H16,no,N,5,,22996,bmse001230,BMET001230
6,covalent,SING,C2,H17,no,N,6,,22996,bmse001230,BMET001230
7,covalent,SING,C3,H18,no,N,7,,22996,bmse001230,BMET001230
8,covalent,SING,C3,H19,no,N,8,,22996,bmse001230,BMET001230
9,covalent,SING,C3,H20,no,N,9,,22996,bmse001230,BMET001230
10,covalent,SING,C4,H21,no,N,10,,22996,bmse001230,BMET001230
11,covalent,SING,C4,H22,no,N,11,,22996,bmse001230,BMET001230
12,covalent,SING,C5,C4,no,N,12,,22996,bmse001230,BMET001230
13,covalent,SING,C5,H23,no,N,13,,22996,bmse001230,BMET001230
14,covalent,SING,C5,H24,no,N,14,,22996,bmse001230,BMET001230
15,covalent,SING,C6,C8,no,N,15,,22996,bmse001230,BMET001230
16,covalent,SING,C6,H25,no,N,16,,22996,bmse001230,BMET001230
17,covalent,SING,C6,H26,no,N,17,,22996,bmse001230,BMET001230
18,covalent,SING,C7,C4,no,N,18,,22996,bmse001230,BMET001230
19,covalent,SING,C7,C6,no,N,19,,22996,bmse001230,BMET001230
20,covalent,SING,C7,H27,no,N,20,,22996,bmse001230,BMET001230
21,covalent,SING,C9,C1,no,N,21,,22996,bmse001230,BMET001230
22,covalent,SING,C9,C2,no,N,22,,22996,bmse001230,BMET001230
23,covalent,SING,C9,C7,no,N,23,,22996,bmse001230,BMET001230
24,covalent,SING,C9,C10,no,N,24,,22996,bmse001230,BMET001230
25,covalent,SING,C10,C3,no,N,25,,22996,bmse001230,BMET001230
26,covalent,SING,C10,C5,no,N,26,,22996,bmse001230,BMET001230
27,covalent,SING,C10,C8,no,N,27,,22996,bmse001230,BMET001230
28,carbonyl,DOUB,O11,C8,no,N,28,,22996,bmse001230,BMET001230
1,covalent,SING,C1,H21,no,N,1,,23020,bmse001231,BMET001231
2,covalent,SING,C1,H22,no,N,2,,23020,bmse001231,BMET001231
3,covalent,SING,C1,H23,no,N,3,,23020,bmse001231,BMET001231
4,covalent,AROM,C2,C5,yes,N,4,,23020,bmse001231,BMET001231
5,covalent,SING,C2,H24,no,N,5,,23020,bmse001231,BMET001231
6,covalent,AROM,C3,C6,yes,N,6,,23020,bmse001231,BMET001231
7,covalent,SING,C3,H25,no,N,7,,23020,bmse001231,BMET001231
8,covalent,SING,C4,H26,no,N,8,,23020,bmse001231,BMET001231
9,covalent,AROM,C5,C12,yes,N,9,,23020,bmse001231,BMET001231
10,covalent,SING,C5,H27,no,N,10,,23020,bmse001231,BMET001231
11,covalent,AROM,C6,C12,yes,N,11,,23020,bmse001231,BMET001231
12,covalent,SING,C6,H28,no,N,12,,23020,bmse001231,BMET001231
13,covalent,AROM,C7,C4,yes,N,13,,23020,bmse001231,BMET001231
14,covalent,SING,C7,H29,no,N,14,,23020,bmse001231,BMET001231
15,covalent,AROM,C8,C11,yes,N,15,,23020,bmse001231,BMET001231
16,covalent,SING,C8,H30,no,N,16,,23020,bmse001231,BMET001231
17,covalent,SING,C9,H31,no,N,17,,23020,bmse001231,BMET001231
18,covalent,AROM,C10,C2,yes,N,18,,23020,bmse001231,BMET001231
19,covalent,AROM,C10,C3,yes,N,19,,23020,bmse001231,BMET001231
20,covalent,AROM,C11,C4,yes,N,20,,23020,bmse001231,BMET001231
21,covalent,AROM,C13,C7,yes,N,21,,23020,bmse001231,BMET001231
22,covalent,AROM,C13,C15,yes,N,22,,23020,bmse001231,BMET001231
23,covalent,AROM,C13,C16,yes,N,23,,23020,bmse001231,BMET001231
24,covalent,AROM,C14,C9,yes,N,24,,23020,bmse001231,BMET001231
25,covalent,SING,C14,C10,no,N,25,,23020,bmse001231,BMET001231
26,covalent,AROM,C14,C16,yes,N,26,,23020,bmse001231,BMET001231
27,covalent,AROM,C15,C8,yes,N,27,,23020,bmse001231,BMET001231
28,covalent,SING,O17,C11,no,N,28,,23020,bmse001231,BMET001231
29,covalent,SING,O17,H32,no,N,29,,23020,bmse001231,BMET001231
30,carbonyl,DOUB,O18,C16,no,N,30,,23020,bmse001231,BMET001231
31,covalent,SING,O19,C1,no,N,31,,23020,bmse001231,BMET001231
32,covalent,SING,O19,C12,no,N,32,,23020,bmse001231,BMET001231
33,covalent,AROM,O20,C9,yes,N,33,,23020,bmse001231,BMET001231
34,covalent,AROM,O20,C15,yes,N,34,,23020,bmse001231,BMET001231
1,covalent,SING,C1,H17,no,N,1,,23044,bmse001232,BMET001232
2,covalent,SING,C1,H18,no,N,2,,23044,bmse001232,BMET001232
3,covalent,SING,C1,H19,no,N,3,,23044,bmse001232,BMET001232
4,covalent,AROM,C2,C3,yes,N,4,,23044,bmse001232,BMET001232
5,covalent,SING,C2,H20,no,N,5,,23044,bmse001232,BMET001232
6,covalent,AROM,C3,C9,yes,N,6,,23044,bmse001232,BMET001232
7,covalent,SING,C3,H21,no,N,7,,23044,bmse001232,BMET001232
8,covalent,AROM,C4,C5,yes,N,8,,23044,bmse001232,BMET001232
9,covalent,SING,C4,H22,no,N,9,,23044,bmse001232,BMET001232
10,covalent,SING,C5,H23,no,N,10,,23044,bmse001232,BMET001232
11,covalent,SING,C6,H24,no,N,11,,23044,bmse001232,BMET001232
12,covalent,AROM,C7,C2,yes,N,12,,23044,bmse001232,BMET001232
13,covalent,AROM,C7,C6,yes,N,13,,23044,bmse001232,BMET001232
14,covalent,AROM,C7,C11,yes,N,14,,23044,bmse001232,BMET001232
15,covalent,AROM,C8,C4,yes,N,15,,23044,bmse001232,BMET001232
16,covalent,AROM,C8,C6,yes,N,16,,23044,bmse001232,BMET001232
17,covalent,AROM,C8,C10,yes,N,17,,23044,bmse001232,BMET001232
18,covalent,AROM,C10,C12,yes,N,18,,23044,bmse001232,BMET001232
19,covalent,AROM,C11,C12,yes,N,19,,23044,bmse001232,BMET001232
20,carbonyl,DOUB,O13,C9,no,N,20,,23044,bmse001232,BMET001232
21,covalent,SING,O14,C1,no,N,21,,23044,bmse001232,BMET001232
22,covalent,SING,O14,C12,no,N,22,,23044,bmse001232,BMET001232
23,covalent,AROM,O15,C5,yes,N,23,,23044,bmse001232,BMET001232
24,covalent,AROM,O15,C10,yes,N,24,,23044,bmse001232,BMET001232
25,ester,AROM,O16,C9,yes,N,25,,23044,bmse001232,BMET001232
26,covalent,AROM,O16,C11,yes,N,26,,23044,bmse001232,BMET001232
1,covalent,SING,C1,H19,no,N,1,,23068,bmse001233,BMET001233
2,covalent,SING,C1,H20,no,N,2,,23068,bmse001233,BMET001233
3,covalent,SING,C1,H21,no,N,3,,23068,bmse001233,BMET001233
4,covalent,SING,C2,H22,no,N,4,,23068,bmse001233,BMET001233
5,covalent,SING,C2,H23,no,N,5,,23068,bmse001233,BMET001233
6,covalent,SING,C2,H24,no,N,6,,23068,bmse001233,BMET001233
7,covalent,SING,C3,H25,no,N,7,,23068,bmse001233,BMET001233
8,covalent,SING,C3,H26,no,N,8,,23068,bmse001233,BMET001233
9,covalent,SING,C3,H27,no,N,9,,23068,bmse001233,BMET001233
10,covalent,SING,C4,C6,no,N,10,,23068,bmse001233,BMET001233
11,covalent,SING,C4,H28,no,N,11,,23068,bmse001233,BMET001233
12,covalent,SING,C4,H29,no,N,12,,23068,bmse001233,BMET001233
13,covalent,SING,C5,C11,no,N,13,,23068,bmse001233,BMET001233
14,covalent,SING,C5,H30,no,N,14,,23068,bmse001233,BMET001233
15,covalent,SING,C6,H31,no,N,15,,23068,bmse001233,BMET001233
16,covalent,SING,C6,H32,no,N,16,,23068,bmse001233,BMET001233
17,covalent,DOUB,C7,C5,no,N,17,,23068,bmse001233,BMET001233
18,covalent,SING,C7,H33,no,N,18,,23068,bmse001233,BMET001233
19,covalent,SING,C8,C1,no,N,19,,23068,bmse001233,BMET001233
20,covalent,SING,C8,C14,no,N,20,,23068,bmse001233,BMET001233
21,covalent,SING,C8,H34,no,N,21,,23068,bmse001233,BMET001233
22,covalent,SING,C9,C2,no,N,22,,23068,bmse001233,BMET001233
23,covalent,SING,C9,C11,no,N,23,,23068,bmse001233,BMET001233
24,covalent,SING,C10,C4,no,N,24,,23068,bmse001233,BMET001233
25,covalent,SING,C10,C8,no,N,25,,23068,bmse001233,BMET001233
26,covalent,SING,C10,C13,no,N,26,,23068,bmse001233,BMET001233
27,covalent,SING,C10,H35,no,N,27,,23068,bmse001233,BMET001233
28,covalent,DOUB,C12,C9,no,N,28,,23068,bmse001233,BMET001233
29,covalent,SING,C13,C12,no,N,29,,23068,bmse001233,BMET001233
30,covalent,SING,C13,H36,no,N,30,,23068,bmse001233,BMET001233
31,covalent,SING,C15,C3,no,N,31,,23068,bmse001233,BMET001233
32,covalent,SING,C15,C6,no,N,32,,23068,bmse001233,BMET001233
33,covalent,SING,C15,C7,no,N,33,,23068,bmse001233,BMET001233
34,covalent,SING,C15,C12,no,N,34,,23068,bmse001233,BMET001233
35,carbonyl,DOUB,O16,C11,no,N,35,,23068,bmse001233,BMET001233
36,carbonyl,DOUB,O17,C14,no,N,36,,23068,bmse001233,BMET001233
37,covalent,SING,O18,C13,no,N,37,,23068,bmse001233,BMET001233
38,ester,SING,O18,C14,no,N,38,,23068,bmse001233,BMET001233
1,covalent,SING,C1,H26,no,N,1,,23092,bmse001234,BMET001234
2,covalent,SING,C1,H27,no,N,2,,23092,bmse001234,BMET001234
3,covalent,SING,C1,H28,no,N,3,,23092,bmse001234,BMET001234
4,covalent,SING,C2,H29,no,N,4,,23092,bmse001234,BMET001234
5,covalent,SING,C2,H30,no,N,5,,23092,bmse001234,BMET001234
6,covalent,SING,C2,H31,no,N,6,,23092,bmse001234,BMET001234
7,covalent,AROM,C3,C4,yes,N,7,,23092,bmse001234,BMET001234
8,covalent,SING,C3,H32,no,N,8,,23092,bmse001234,BMET001234
9,covalent,SING,C4,H33,no,N,9,,23092,bmse001234,BMET001234
10,covalent,SING,C5,C13,no,N,10,,23092,bmse001234,BMET001234
11,covalent,SING,C5,H34,no,N,11,,23092,bmse001234,BMET001234
12,covalent,SING,C5,H35,no,N,12,,23092,bmse001234,BMET001234
13,covalent,SING,C6,C5,no,N,13,,23092,bmse001234,BMET001234
14,covalent,SING,C6,H36,no,N,14,,23092,bmse001234,BMET001234
15,covalent,SING,C6,H37,no,N,15,,23092,bmse001234,BMET001234
16,covalent,SING,C7,C12,no,N,16,,23092,bmse001234,BMET001234
17,covalent,SING,C7,H38,no,N,17,,23092,bmse001234,BMET001234
18,covalent,SING,C7,H39,no,N,18,,23092,bmse001234,BMET001234
19,covalent,AROM,C8,C18,yes,N,19,,23092,bmse001234,BMET001234
20,covalent,SING,C8,H40,no,N,20,,23092,bmse001234,BMET001234
21,covalent,AROM,C9,C19,yes,N,21,,23092,bmse001234,BMET001234
22,covalent,SING,C9,H41,no,N,22,,23092,bmse001234,BMET001234
23,covalent,SING,C10,C15,no,N,23,,23092,bmse001234,BMET001234
24,covalent,SING,C10,H42,no,N,24,,23092,bmse001234,BMET001234
25,covalent,SING,C10,H43,no,N,25,,23092,bmse001234,BMET001234
26,covalent,SING,C11,H44,no,N,26,,23092,bmse001234,BMET001234
27,covalent,SING,C11,H45,no,N,27,,23092,bmse001234,BMET001234
28,covalent,AROM,C12,C3,yes,N,28,,23092,bmse001234,BMET001234
29,covalent,AROM,C12,C15,yes,N,29,,23092,bmse001234,BMET001234
30,covalent,AROM,C13,C8,yes,N,30,,23092,bmse001234,BMET001234
31,covalent,AROM,C14,C9,yes,N,31,,23092,bmse001234,BMET001234
32,covalent,AROM,C14,C13,yes,N,32,,23092,bmse001234,BMET001234
33,covalent,AROM,C15,C20,yes,N,33,,23092,bmse001234,BMET001234
34,covalent,SING,C16,C7,no,N,34,,23092,bmse001234,BMET001234
35,covalent,SING,C16,C14,no,N,35,,23092,bmse001234,BMET001234
36,covalent,SING,C16,H46,no,N,36,,23092,bmse001234,BMET001234
37,covalent,AROM,C17,C4,yes,N,37,,23092,bmse001234,BMET001234
38,covalent,AROM,C19,C18,yes,N,38,,23092,bmse001234,BMET001234
39,covalent,AROM,C20,C17,yes,N,39,,23092,bmse001234,BMET001234
40,covalent,SING,N21,C6,no,N,40,,23092,bmse001234,BMET001234
41,covalent,SING,N21,C10,no,N,41,,23092,bmse001234,BMET001234
42,covalent,SING,N21,C16,no,N,42,,23092,bmse001234,BMET001234
43,covalent,SING,O22,C1,no,N,43,,23092,bmse001234,BMET001234
44,covalent,SING,O22,C17,no,N,44,,23092,bmse001234,BMET001234
45,covalent,SING,O23,C2,no,N,45,,23092,bmse001234,BMET001234
46,covalent,SING,O23,C20,no,N,46,,23092,bmse001234,BMET001234
47,covalent,SING,O24,C11,no,N,47,,23092,bmse001234,BMET001234
48,covalent,SING,O24,C18,no,N,48,,23092,bmse001234,BMET001234
49,covalent,SING,O25,C11,no,N,49,,23092,bmse001234,BMET001234
50,covalent,SING,O25,C19,no,N,50,,23092,bmse001234,BMET001234
1,covalent,SING,C1,C4,no,N,1,,23116,bmse001235,BMET001235
2,covalent,SING,C1,C5,no,N,2,,23116,bmse001235,BMET001235
3,covalent,SING,C1,H22,no,N,3,,23116,bmse001235,BMET001235
4,covalent,SING,C1,H23,no,N,4,,23116,bmse001235,BMET001235
5,covalent,DOUB,C2,C6,no,E,5,,23116,bmse001235,BMET001235
6,covalent,SING,C2,H24,no,N,6,,23116,bmse001235,BMET001235
7,covalent,SING,C3,C2,no,N,7,,23116,bmse001235,BMET001235
8,covalent,SING,C3,H25,no,N,8,,23116,bmse001235,BMET001235
9,covalent,SING,C4,C10,no,N,9,,23116,bmse001235,BMET001235
10,covalent,SING,C4,H26,no,N,10,,23116,bmse001235,BMET001235
11,covalent,SING,C4,H27,no,N,11,,23116,bmse001235,BMET001235
12,covalent,SING,C5,C11,no,N,12,,23116,bmse001235,BMET001235
13,covalent,SING,C5,H28,no,N,13,,23116,bmse001235,BMET001235
14,covalent,SING,C5,H29,no,N,14,,23116,bmse001235,BMET001235
15,covalent,SING,C6,H30,no,N,15,,23116,bmse001235,BMET001235
16,covalent,DOUB,C7,C3,no,E,16,,23116,bmse001235,BMET001235
17,covalent,SING,C7,H31,no,N,17,,23116,bmse001235,BMET001235
18,covalent,AROM,C8,C9,yes,N,18,,23116,bmse001235,BMET001235
19,covalent,SING,C8,H32,no,N,19,,23116,bmse001235,BMET001235
20,covalent,SING,C9,H33,no,N,20,,23116,bmse001235,BMET001235
21,covalent,SING,C10,H34,no,N,21,,23116,bmse001235,BMET001235
22,covalent,SING,C10,H35,no,N,22,,23116,bmse001235,BMET001235
23,covalent,SING,C11,H36,no,N,23,,23116,bmse001235,BMET001235
24,covalent,SING,C11,H37,no,N,24,,23116,bmse001235,BMET001235
25,covalent,SING,C12,H38,no,N,25,,23116,bmse001235,BMET001235
26,covalent,SING,C13,H39,no,N,26,,23116,bmse001235,BMET001235
27,covalent,SING,C13,H40,no,N,27,,23116,bmse001235,BMET001235
28,covalent,SING,C14,C6,no,N,28,,23116,bmse001235,BMET001235
29,covalent,AROM,C14,C8,yes,N,29,,23116,bmse001235,BMET001235
30,covalent,AROM,C14,C12,yes,N,30,,23116,bmse001235,BMET001235
31,covalent,AROM,C15,C9,yes,N,31,,23116,bmse001235,BMET001235
32,covalent,AROM,C16,C12,yes,N,32,,23116,bmse001235,BMET001235
33,covalent,AROM,C16,C15,yes,N,33,,23116,bmse001235,BMET001235
34,covalent,SING,C17,C7,no,N,34,,23116,bmse001235,BMET001235
35,covalent,SING,N18,C10,no,N,35,,23116,bmse001235,BMET001235
36,covalent,SING,N18,C11,no,N,36,,23116,bmse001235,BMET001235
37,amide,SING,N18,C17,no,N,37,,23116,bmse001235,BMET001235
38,carbonyl,DOUB,O19,C17,no,N,38,,23116,bmse001235,BMET001235
39,covalent,SING,O20,C13,no,N,39,,23116,bmse001235,BMET001235
40,covalent,SING,O20,C15,no,N,40,,23116,bmse001235,BMET001235
41,covalent,SING,O21,C13,no,N,41,,23116,bmse001235,BMET001235
42,covalent,SING,O21,C16,no,N,42,,23116,bmse001235,BMET001235
1,covalent,SING,C1,H30,no,N,1,,23140,bmse001236,BMET001236
2,covalent,SING,C1,H31,no,N,2,,23140,bmse001236,BMET001236
3,covalent,SING,C1,H32,no,N,3,,23140,bmse001236,BMET001236
4,covalent,SING,C2,H33,no,N,4,,23140,bmse001236,BMET001236
5,covalent,SING,C2,H34,no,N,5,,23140,bmse001236,BMET001236
6,covalent,SING,C2,H35,no,N,6,,23140,bmse001236,BMET001236
7,covalent,SING,C3,H36,no,N,7,,23140,bmse001236,BMET001236
8,covalent,SING,C3,H37,no,N,8,,23140,bmse001236,BMET001236
9,covalent,SING,C3,H38,no,N,9,,23140,bmse001236,BMET001236
10,covalent,SING,C4,C1,no,N,10,,23140,bmse001236,BMET001236
11,covalent,SING,C4,H39,no,N,11,,23140,bmse001236,BMET001236
12,covalent,SING,C4,H40,no,N,12,,23140,bmse001236,BMET001236
13,covalent,SING,C5,H41,no,N,13,,23140,bmse001236,BMET001236
14,covalent,AROM,C6,C5,yes,N,14,,23140,bmse001236,BMET001236
15,covalent,SING,C6,H42,no,N,15,,23140,bmse001236,BMET001236
16,covalent,AROM,C7,C5,yes,N,16,,23140,bmse001236,BMET001236
17,covalent,SING,C7,H43,no,N,17,,23140,bmse001236,BMET001236
18,covalent,AROM,C8,C6,yes,N,18,,23140,bmse001236,BMET001236
19,covalent,SING,C8,H44,no,N,19,,23140,bmse001236,BMET001236
20,covalent,AROM,C9,C7,yes,N,20,,23140,bmse001236,BMET001236
21,covalent,SING,C9,H45,no,N,21,,23140,bmse001236,BMET001236
22,covalent,AROM,C10,C14,yes,N,22,,23140,bmse001236,BMET001236
23,covalent,SING,C10,H46,no,N,23,,23140,bmse001236,BMET001236
24,covalent,AROM,C11,C15,yes,N,24,,23140,bmse001236,BMET001236
25,covalent,SING,C11,H47,no,N,25,,23140,bmse001236,BMET001236
26,covalent,AROM,C12,C16,yes,N,26,,23140,bmse001236,BMET001236
27,covalent,SING,C12,H48,no,N,27,,23140,bmse001236,BMET001236
28,covalent,AROM,C13,C17,yes,N,28,,23140,bmse001236,BMET001236
29,covalent,SING,C13,H49,no,N,29,,23140,bmse001236,BMET001236
30,covalent,AROM,C14,C23,yes,N,30,,23140,bmse001236,BMET001236
31,covalent,SING,C14,H50,no,N,31,,23140,bmse001236,BMET001236
32,covalent,AROM,C15,C23,yes,N,32,,23140,bmse001236,BMET001236
33,covalent,SING,C15,H51,no,N,33,,23140,bmse001236,BMET001236
34,covalent,SING,C16,H52,no,N,34,,23140,bmse001236,BMET001236
35,covalent,SING,C17,H53,no,N,35,,23140,bmse001236,BMET001236
36,covalent,SING,C18,C19,no,N,36,,23140,bmse001236,BMET001236
37,covalent,SING,C18,H54,no,N,37,,23140,bmse001236,BMET001236
38,covalent,SING,C18,H55,no,N,38,,23140,bmse001236,BMET001236
39,covalent,SING,C19,H56,no,N,39,,23140,bmse001236,BMET001236
40,covalent,SING,C19,H57,no,N,40,,23140,bmse001236,BMET001236
41,covalent,AROM,C20,C8,yes,N,41,,23140,bmse001236,BMET001236
42,covalent,AROM,C20,C9,yes,N,42,,23140,bmse001236,BMET001236
43,covalent,AROM,C21,C10,yes,N,43,,23140,bmse001236,BMET001236
44,covalent,AROM,C21,C11,yes,N,44,,23140,bmse001236,BMET001236
45,covalent,AROM,C22,C12,yes,N,45,,23140,bmse001236,BMET001236
46,covalent,AROM,C22,C13,yes,N,46,,23140,bmse001236,BMET001236
47,covalent,AROM,C24,C16,yes,N,47,,23140,bmse001236,BMET001236
48,covalent,AROM,C24,C17,yes,N,48,,23140,bmse001236,BMET001236
49,covalent,SING,C25,C4,no,N,49,,23140,bmse001236,BMET001236
50,covalent,SING,C25,C20,no,N,50,,23140,bmse001236,BMET001236
51,covalent,SING,C26,C21,no,N,51,,23140,bmse001236,BMET001236
52,covalent,SING,C26,C22,no,N,52,,23140,bmse001236,BMET001236
53,covalent,DOUB,C26,C25,no,E,53,,23140,bmse001236,BMET001236
54,covalent,SING,N27,C2,no,N,54,,23140,bmse001236,BMET001236
55,covalent,SING,N27,C3,no,N,55,,23140,bmse001236,BMET001236
56,covalent,SING,N27,C18,no,N,56,,23140,bmse001236,BMET001236
57,covalent,SING,O28,C23,no,N,57,,23140,bmse001236,BMET001236
58,covalent,SING,O28,H58,no,N,58,,23140,bmse001236,BMET001236
59,covalent,SING,O29,C19,no,N,59,,23140,bmse001236,BMET001236
60,covalent,SING,O29,C24,no,N,60,,23140,bmse001236,BMET001236
1,covalent,SING,C1,H18,no,N,1,,23164,bmse001237,BMET001237
2,covalent,SING,C1,H19,no,N,2,,23164,bmse001237,BMET001237
3,covalent,SING,C1,H20,no,N,3,,23164,bmse001237,BMET001237
4,covalent,SING,C2,H21,no,N,4,,23164,bmse001237,BMET001237
5,covalent,SING,C2,H22,no,N,5,,23164,bmse001237,BMET001237
6,covalent,SING,C2,H23,no,N,6,,23164,bmse001237,BMET001237
7,covalent,SING,C3,C1,no,N,7,,23164,bmse001237,BMET001237
8,covalent,SING,C3,H24,no,N,8,,23164,bmse001237,BMET001237
9,covalent,SING,C3,H25,no,N,9,,23164,bmse001237,BMET001237
10,covalent,SING,C4,H26,no,N,10,,23164,bmse001237,BMET001237
11,covalent,AROM,C5,C4,yes,N,11,,23164,bmse001237,BMET001237
12,covalent,SING,C5,H27,no,N,12,,23164,bmse001237,BMET001237
13,covalent,AROM,C6,C9,yes,N,13,,23164,bmse001237,BMET001237
14,covalent,SING,C6,H28,no,N,14,,23164,bmse001237,BMET001237
15,covalent,SING,C7,C2,no,N,15,,23164,bmse001237,BMET001237
16,covalent,AROM,C7,C4,yes,N,16,,23164,bmse001237,BMET001237
17,covalent,AROM,C8,C5,yes,N,17,,23164,bmse001237,BMET001237
18,covalent,AROM,C8,C10,yes,N,18,,23164,bmse001237,BMET001237
19,covalent,AROM,C9,C10,yes,N,19,,23164,bmse001237,BMET001237
20,covalent,SING,C9,C12,no,N,20,,23164,bmse001237,BMET001237
21,covalent,AROM,C11,C8,yes,N,21,,23164,bmse001237,BMET001237
22,covalent,AROM,N13,C7,yes,N,22,,23164,bmse001237,BMET001237
23,covalent,AROM,N13,C11,yes,N,23,,23164,bmse001237,BMET001237
24,covalent,SING,N14,C3,no,N,24,,23164,bmse001237,BMET001237
25,covalent,AROM,N14,C6,yes,N,25,,23164,bmse001237,BMET001237
26,covalent,AROM,N14,C11,yes,N,26,,23164,bmse001237,BMET001237
27,carbonyl,DOUB,O15,C10,no,N,27,,23164,bmse001237,BMET001237
28,ester,SING,O16,C12,no,N,28,,23164,bmse001237,BMET001237
29,covalent,SING,O16,H29,no,N,29,,23164,bmse001237,BMET001237
30,carbonyl,DOUB,O17,C12,no,N,30,,23164,bmse001237,BMET001237
1,covalent,SING,C1,H20,no,N,1,,23188,bmse001238,BMET001238
2,covalent,SING,C1,H21,no,N,2,,23188,bmse001238,BMET001238
3,covalent,SING,C1,H22,no,N,3,,23188,bmse001238,BMET001238
4,covalent,SING,C2,H23,no,N,4,,23188,bmse001238,BMET001238
5,covalent,SING,C2,H24,no,N,5,,23188,bmse001238,BMET001238
6,covalent,SING,C2,H25,no,N,6,,23188,bmse001238,BMET001238
7,covalent,SING,C3,H26,no,N,7,,23188,bmse001238,BMET001238
8,covalent,SING,C3,H27,no,N,8,,23188,bmse001238,BMET001238
9,covalent,SING,C3,H28,no,N,9,,23188,bmse001238,BMET001238
10,covalent,SING,C4,H29,no,N,10,,23188,bmse001238,BMET001238
11,covalent,SING,C4,H30,no,N,11,,23188,bmse001238,BMET001238
12,covalent,SING,C4,H31,no,N,12,,23188,bmse001238,BMET001238
13,covalent,SING,C5,C10,no,N,13,,23188,bmse001238,BMET001238
14,covalent,SING,C5,H32,no,N,14,,23188,bmse001238,BMET001238
15,covalent,DOUB,C6,C5,no,E,15,,23188,bmse001238,BMET001238
16,covalent,SING,C6,H33,no,N,16,,23188,bmse001238,BMET001238
17,covalent,SING,C7,C13,no,N,17,,23188,bmse001238,BMET001238
18,covalent,SING,C7,H34,no,N,18,,23188,bmse001238,BMET001238
19,covalent,SING,C8,H35,no,N,19,,23188,bmse001238,BMET001238
20,covalent,SING,C9,C12,no,N,20,,23188,bmse001238,BMET001238
21,covalent,SING,C9,H36,no,N,21,,23188,bmse001238,BMET001238
22,covalent,SING,C9,H37,no,N,22,,23188,bmse001238,BMET001238
23,covalent,SING,C10,C1,no,N,23,,23188,bmse001238,BMET001238
24,covalent,DOUB,C10,C7,no,Z,24,,23188,bmse001238,BMET001238
25,covalent,SING,C11,C2,no,N,25,,23188,bmse001238,BMET001238
26,covalent,DOUB,C11,C8,no,N,26,,23188,bmse001238,BMET001238
27,covalent,SING,C12,C8,no,N,27,,23188,bmse001238,BMET001238
28,covalent,SING,C14,C3,no,N,28,,23188,bmse001238,BMET001238
29,covalent,SING,C14,C4,no,N,29,,23188,bmse001238,BMET001238
30,covalent,SING,C14,C9,no,N,30,,23188,bmse001238,BMET001238
31,covalent,SING,C14,C15,no,N,31,,23188,bmse001238,BMET001238
32,covalent,SING,C15,C6,no,N,32,,23188,bmse001238,BMET001238
33,covalent,SING,C15,C11,no,N,33,,23188,bmse001238,BMET001238
34,carbonyl,DOUB,O16,C12,no,N,34,,23188,bmse001238,BMET001238
35,ester,SING,O17,C13,no,N,35,,23188,bmse001238,BMET001238
36,covalent,SING,O17,H38,no,N,36,,23188,bmse001238,BMET001238
37,carbonyl,DOUB,O18,C13,no,N,37,,23188,bmse001238,BMET001238
38,covalent,SING,O19,C15,no,N,38,,23188,bmse001238,BMET001238
39,covalent,SING,O19,H39,no,N,39,,23188,bmse001238,BMET001238
1,covalent,SING,C1,H13,no,N,1,,23212,bmse001239,BMET001239
2,covalent,SING,C1,H14,no,N,2,,23212,bmse001239,BMET001239
3,covalent,SING,C1,H15,no,N,3,,23212,bmse001239,BMET001239
4,covalent,SING,C2,H16,no,N,4,,23212,bmse001239,BMET001239
5,covalent,SING,C2,H17,no,N,5,,23212,bmse001239,BMET001239
6,covalent,SING,C2,H18,no,N,6,,23212,bmse001239,BMET001239
7,covalent,AROM,C3,C5,yes,N,7,,23212,bmse001239,BMET001239
8,covalent,SING,C3,H19,no,N,8,,23212,bmse001239,BMET001239
9,covalent,AROM,C4,C6,yes,N,9,,23212,bmse001239,BMET001239
10,covalent,SING,C4,H20,no,N,10,,23212,bmse001239,BMET001239
11,covalent,AROM,C5,C10,yes,N,11,,23212,bmse001239,BMET001239
12,covalent,SING,C5,H21,no,N,12,,23212,bmse001239,BMET001239
13,covalent,AROM,C6,C10,yes,N,13,,23212,bmse001239,BMET001239
14,covalent,SING,C6,H22,no,N,14,,23212,bmse001239,BMET001239
15,covalent,SING,C7,C8,no,N,15,,23212,bmse001239,BMET001239
16,covalent,SING,C7,C9,no,N,16,,23212,bmse001239,BMET001239
17,covalent,SING,C7,H23,no,N,17,,23212,bmse001239,BMET001239
18,covalent,SING,C7,H24,no,N,18,,23212,bmse001239,BMET001239
19,covalent,SING,C8,H25,no,N,19,,23212,bmse001239,BMET001239
20,covalent,SING,C8,H26,no,N,20,,23212,bmse001239,BMET001239
21,covalent,AROM,C9,C3,yes,N,21,,23212,bmse001239,BMET001239
22,covalent,AROM,C9,C4,yes,N,22,,23212,bmse001239,BMET001239
23,covalent,SING,N11,C1,no,N,23,,23212,bmse001239,BMET001239
24,covalent,SING,N11,C2,no,N,24,,23212,bmse001239,BMET001239
25,covalent,SING,N11,C8,no,N,25,,23212,bmse001239,BMET001239
26,covalent,SING,O12,C10,no,N,26,,23212,bmse001239,BMET001239
27,covalent,SING,O12,H27,no,N,27,,23212,bmse001239,BMET001239
1,covalent,SING,C1,H26,no,N,1,,23236,bmse001240,BMET001240
2,covalent,SING,C1,H27,no,N,2,,23236,bmse001240,BMET001240
3,covalent,SING,C1,H28,no,N,3,,23236,bmse001240,BMET001240
4,covalent,SING,C2,H29,no,N,4,,23236,bmse001240,BMET001240
5,covalent,SING,C2,H30,no,N,5,,23236,bmse001240,BMET001240
6,covalent,SING,C2,H31,no,N,6,,23236,bmse001240,BMET001240
7,covalent,SING,C3,H32,no,N,7,,23236,bmse001240,BMET001240
8,covalent,SING,C3,H33,no,N,8,,23236,bmse001240,BMET001240
9,covalent,SING,C3,H34,no,N,9,,23236,bmse001240,BMET001240
10,covalent,SING,C4,H35,no,N,10,,23236,bmse001240,BMET001240
11,covalent,SING,C4,H36,no,N,11,,23236,bmse001240,BMET001240
12,covalent,SING,C4,H37,no,N,12,,23236,bmse001240,BMET001240
13,covalent,AROM,C5,C6,yes,N,13,,23236,bmse001240,BMET001240
14,covalent,SING,C5,H38,no,N,14,,23236,bmse001240,BMET001240
15,covalent,SING,C6,H39,no,N,15,,23236,bmse001240,BMET001240
16,covalent,AROM,C7,C8,yes,N,16,,23236,bmse001240,BMET001240
17,covalent,SING,C7,H40,no,N,17,,23236,bmse001240,BMET001240
18,covalent,SING,C8,H41,no,N,18,,23236,bmse001240,BMET001240
19,covalent,SING,C9,C13,no,N,19,,23236,bmse001240,BMET001240
20,covalent,SING,C9,C16,no,N,20,,23236,bmse001240,BMET001240
21,covalent,SING,C9,H42,no,N,21,,23236,bmse001240,BMET001240
22,covalent,SING,C9,H43,no,N,22,,23236,bmse001240,BMET001240
23,covalent,AROM,C10,C18,yes,N,23,,23236,bmse001240,BMET001240
24,covalent,SING,C10,H44,no,N,24,,23236,bmse001240,BMET001240
25,covalent,AROM,C11,C19,yes,N,25,,23236,bmse001240,BMET001240
26,covalent,SING,C11,H45,no,N,26,,23236,bmse001240,BMET001240
27,covalent,AROM,C12,C20,yes,N,27,,23236,bmse001240,BMET001240
28,covalent,SING,C12,H46,no,N,28,,23236,bmse001240,BMET001240
29,covalent,AROM,C13,C5,yes,N,29,,23236,bmse001240,BMET001240
30,covalent,AROM,C13,C10,yes,N,30,,23236,bmse001240,BMET001240
31,covalent,AROM,C14,C7,yes,N,31,,23236,bmse001240,BMET001240
32,covalent,AROM,C14,C11,yes,N,32,,23236,bmse001240,BMET001240
33,covalent,AROM,C15,C12,yes,N,33,,23236,bmse001240,BMET001240
34,covalent,AROM,C15,C14,yes,N,34,,23236,bmse001240,BMET001240
35,covalent,AROM,C15,C16,yes,N,35,,23236,bmse001240,BMET001240
36,covalent,AROM,C17,C6,yes,N,36,,23236,bmse001240,BMET001240
37,covalent,AROM,C18,C17,yes,N,37,,23236,bmse001240,BMET001240
38,covalent,AROM,C20,C19,yes,N,38,,23236,bmse001240,BMET001240
39,covalent,AROM,N21,C8,yes,N,39,,23236,bmse001240,BMET001240
40,covalent,AROM,N21,C16,yes,N,40,,23236,bmse001240,BMET001240
41,covalent,SING,O22,C1,no,N,41,,23236,bmse001240,BMET001240
42,covalent,SING,O22,C17,no,N,42,,23236,bmse001240,BMET001240
43,covalent,SING,O23,C2,no,N,43,,23236,bmse001240,BMET001240
44,covalent,SING,O23,C18,no,N,44,,23236,bmse001240,BMET001240
45,covalent,SING,O24,C3,no,N,45,,23236,bmse001240,BMET001240
46,covalent,SING,O24,C19,no,N,46,,23236,bmse001240,BMET001240
47,covalent,SING,O25,C4,no,N,47,,23236,bmse001240,BMET001240
48,covalent,SING,O25,C20,no,N,48,,23236,bmse001240,BMET001240
1,covalent,SING,C1,H23,no,N,1,,23260,bmse001241,BMET001241
2,covalent,SING,C1,H24,no,N,2,,23260,bmse001241,BMET001241
3,covalent,SING,C1,H25,no,N,3,,23260,bmse001241,BMET001241
4,covalent,SING,C2,H26,no,N,4,,23260,bmse001241,BMET001241
5,covalent,SING,C2,H27,no,N,5,,23260,bmse001241,BMET001241
6,covalent,SING,C2,H28,no,N,6,,23260,bmse001241,BMET001241
7,covalent,SING,C3,H29,no,N,7,,23260,bmse001241,BMET001241
8,covalent,SING,C3,H30,no,N,8,,23260,bmse001241,BMET001241
9,covalent,SING,C3,H31,no,N,9,,23260,bmse001241,BMET001241
10,covalent,SING,C4,C6,no,N,10,,23260,bmse001241,BMET001241
11,covalent,SING,C4,H32,no,N,11,,23260,bmse001241,BMET001241
12,covalent,SING,C4,H33,no,N,12,,23260,bmse001241,BMET001241
13,covalent,SING,C5,C4,no,N,13,,23260,bmse001241,BMET001241
14,covalent,SING,C5,C7,no,N,14,,23260,bmse001241,BMET001241
15,covalent,SING,C5,H34,no,N,15,,23260,bmse001241,BMET001241
16,covalent,SING,C5,H35,no,N,16,,23260,bmse001241,BMET001241
17,covalent,DOUB,C6,C8,no,E,17,,23260,bmse001241,BMET001241
18,covalent,SING,C6,H36,no,N,18,,23260,bmse001241,BMET001241
19,covalent,SING,C7,C9,no,N,19,,23260,bmse001241,BMET001241
20,covalent,SING,C7,H37,no,N,20,,23260,bmse001241,BMET001241
21,covalent,SING,C7,H38,no,N,21,,23260,bmse001241,BMET001241
22,covalent,SING,C8,H39,no,N,22,,23260,bmse001241,BMET001241
23,covalent,SING,C9,C18,no,N,23,,23260,bmse001241,BMET001241
24,covalent,SING,C9,H40,no,N,24,,23260,bmse001241,BMET001241
25,covalent,SING,C9,H41,no,N,25,,23260,bmse001241,BMET001241
26,covalent,AROM,C10,C11,yes,N,26,,23260,bmse001241,BMET001241
27,covalent,SING,C10,H42,no,N,27,,23260,bmse001241,BMET001241
28,covalent,AROM,C11,C16,yes,N,28,,23260,bmse001241,BMET001241
29,covalent,SING,C11,H43,no,N,29,,23260,bmse001241,BMET001241
30,covalent,AROM,C12,C17,yes,N,30,,23260,bmse001241,BMET001241
31,covalent,SING,C12,H44,no,N,31,,23260,bmse001241,BMET001241
32,covalent,SING,C13,C15,no,N,32,,23260,bmse001241,BMET001241
33,covalent,SING,C13,H45,no,N,33,,23260,bmse001241,BMET001241
34,covalent,SING,C13,H46,no,N,34,,23260,bmse001241,BMET001241
35,covalent,SING,C14,C1,no,N,35,,23260,bmse001241,BMET001241
36,covalent,SING,C14,C2,no,N,36,,23260,bmse001241,BMET001241
37,covalent,SING,C14,C8,no,N,37,,23260,bmse001241,BMET001241
38,covalent,SING,C14,H47,no,N,38,,23260,bmse001241,BMET001241
39,covalent,AROM,C15,C10,yes,N,39,,23260,bmse001241,BMET001241
40,covalent,AROM,C15,C12,yes,N,40,,23260,bmse001241,BMET001241
41,covalent,AROM,C17,C16,yes,N,41,,23260,bmse001241,BMET001241
42,covalent,SING,N19,C13,no,N,42,,23260,bmse001241,BMET001241
43,amide,SING,N19,C18,no,N,43,,23260,bmse001241,BMET001241
44,covalent,SING,N19,H48,no,N,44,,23260,bmse001241,BMET001241
45,covalent,SING,O20,C16,no,N,45,,23260,bmse001241,BMET001241
46,covalent,SING,O20,H49,no,N,46,,23260,bmse001241,BMET001241
47,carbonyl,DOUB,O21,C18,no,N,47,,23260,bmse001241,BMET001241
48,covalent,SING,O22,C3,no,N,48,,23260,bmse001241,BMET001241
49,covalent,SING,O22,C17,no,N,49,,23260,bmse001241,BMET001241
1,covalent,SING,C1,H36,no,N,1,,23284,bmse001242,BMET001242
2,covalent,SING,C1,H37,no,N,2,,23284,bmse001242,BMET001242
3,covalent,SING,C1,H38,no,N,3,,23284,bmse001242,BMET001242
4,covalent,SING,C2,H39,no,N,4,,23284,bmse001242,BMET001242
5,covalent,SING,C2,H40,no,N,5,,23284,bmse001242,BMET001242
6,covalent,SING,C2,H41,no,N,6,,23284,bmse001242,BMET001242
7,covalent,SING,C3,H42,no,N,7,,23284,bmse001242,BMET001242
8,covalent,SING,C3,H43,no,N,8,,23284,bmse001242,BMET001242
9,covalent,SING,C3,H44,no,N,9,,23284,bmse001242,BMET001242
10,covalent,SING,C4,H45,no,N,10,,23284,bmse001242,BMET001242
11,covalent,SING,C4,H46,no,N,11,,23284,bmse001242,BMET001242
12,covalent,SING,C4,H47,no,N,12,,23284,bmse001242,BMET001242
13,covalent,SING,C5,H48,no,N,13,,23284,bmse001242,BMET001242
14,covalent,SING,C5,H49,no,N,14,,23284,bmse001242,BMET001242
15,covalent,SING,C5,H50,no,N,15,,23284,bmse001242,BMET001242
16,covalent,SING,C6,H51,no,N,16,,23284,bmse001242,BMET001242
17,covalent,SING,C6,H52,no,N,17,,23284,bmse001242,BMET001242
18,covalent,SING,C6,H53,no,N,18,,23284,bmse001242,BMET001242
19,covalent,SING,C7,H54,no,N,19,,23284,bmse001242,BMET001242
20,covalent,SING,C7,H55,no,N,20,,23284,bmse001242,BMET001242
21,covalent,SING,C7,H56,no,N,21,,23284,bmse001242,BMET001242
22,covalent,SING,C8,H57,no,N,22,,23284,bmse001242,BMET001242
23,covalent,SING,C8,H58,no,N,23,,23284,bmse001242,BMET001242
24,covalent,SING,C8,H59,no,N,24,,23284,bmse001242,BMET001242
25,covalent,SING,C9,H60,no,N,25,,23284,bmse001242,BMET001242
26,covalent,SING,C9,H61,no,N,26,,23284,bmse001242,BMET001242
27,covalent,SING,C9,H62,no,N,27,,23284,bmse001242,BMET001242
28,covalent,SING,C10,H63,no,N,28,,23284,bmse001242,BMET001242
29,covalent,SING,C10,H64,no,N,29,,23284,bmse001242,BMET001242
30,covalent,SING,C10,H65,no,N,30,,23284,bmse001242,BMET001242
31,covalent,SING,C11,H66,no,N,31,,23284,bmse001242,BMET001242
32,covalent,SING,C11,H67,no,N,32,,23284,bmse001242,BMET001242
33,covalent,SING,C11,H68,no,N,33,,23284,bmse001242,BMET001242
34,covalent,SING,C12,H69,no,N,34,,23284,bmse001242,BMET001242
35,covalent,SING,C12,H70,no,N,35,,23284,bmse001242,BMET001242
36,covalent,SING,C12,H71,no,N,36,,23284,bmse001242,BMET001242
37,covalent,SING,C13,H72,no,N,37,,23284,bmse001242,BMET001242
38,covalent,SING,C13,H73,no,N,38,,23284,bmse001242,BMET001242
39,covalent,SING,C13,H74,no,N,39,,23284,bmse001242,BMET001242
40,covalent,SING,C14,H75,no,N,40,,23284,bmse001242,BMET001242
41,covalent,SING,C14,H76,no,N,41,,23284,bmse001242,BMET001242
42,covalent,SING,C14,H77,no,N,42,,23284,bmse001242,BMET001242
43,covalent,AROM,C15,C19,yes,N,43,,23284,bmse001242,BMET001242
44,covalent,SING,C15,H78,no,N,44,,23284,bmse001242,BMET001242
45,covalent,AROM,C16,C19,yes,N,45,,23284,bmse001242,BMET001242
46,covalent,SING,C16,H79,no,N,46,,23284,bmse001242,BMET001242
47,covalent,AROM,C17,C20,yes,N,47,,23284,bmse001242,BMET001242
48,covalent,SING,C17,H80,no,N,48,,23284,bmse001242,BMET001242
49,covalent,AROM,C18,C20,yes,N,49,,23284,bmse001242,BMET001242
50,covalent,SING,C18,H81,no,N,50,,23284,bmse001242,BMET001242
51,covalent,AROM,C21,C15,yes,N,51,,23284,bmse001242,BMET001242
52,covalent,AROM,C21,C25,yes,N,52,,23284,bmse001242,BMET001242
53,covalent,AROM,C22,C16,yes,N,53,,23284,bmse001242,BMET001242
54,covalent,AROM,C22,C25,yes,N,54,,23284,bmse001242,BMET001242
55,covalent,AROM,C23,C17,yes,N,55,,23284,bmse001242,BMET001242
56,covalent,AROM,C23,C26,yes,N,56,,23284,bmse001242,BMET001242
57,covalent,AROM,C24,C18,yes,N,57,,23284,bmse001242,BMET001242
58,covalent,AROM,C24,C26,yes,N,58,,23284,bmse001242,BMET001242
59,covalent,SING,C27,C1,no,N,59,,23284,bmse001242,BMET001242
60,covalent,SING,C27,C2,no,N,60,,23284,bmse001242,BMET001242
61,covalent,SING,C27,C3,no,N,61,,23284,bmse001242,BMET001242
62,covalent,SING,C27,C21,no,N,62,,23284,bmse001242,BMET001242
63,covalent,SING,C28,C4,no,N,63,,23284,bmse001242,BMET001242
64,covalent,SING,C28,C5,no,N,64,,23284,bmse001242,BMET001242
65,covalent,SING,C28,C6,no,N,65,,23284,bmse001242,BMET001242
66,covalent,SING,C28,C22,no,N,66,,23284,bmse001242,BMET001242
67,covalent,SING,C29,C7,no,N,67,,23284,bmse001242,BMET001242
68,covalent,SING,C29,C8,no,N,68,,23284,bmse001242,BMET001242
69,covalent,SING,C29,C9,no,N,69,,23284,bmse001242,BMET001242
70,covalent,SING,C29,C23,no,N,70,,23284,bmse001242,BMET001242
71,covalent,SING,C30,C10,no,N,71,,23284,bmse001242,BMET001242
72,covalent,SING,C30,C11,no,N,72,,23284,bmse001242,BMET001242
73,covalent,SING,C30,C12,no,N,73,,23284,bmse001242,BMET001242
74,covalent,SING,C30,C24,no,N,74,,23284,bmse001242,BMET001242
75,covalent,SING,C31,C13,no,N,75,,23284,bmse001242,BMET001242
76,covalent,SING,C31,C14,no,N,76,,23284,bmse001242,BMET001242
77,covalent,SING,O32,C25,no,N,77,,23284,bmse001242,BMET001242
78,covalent,SING,O32,H82,no,N,78,,23284,bmse001242,BMET001242
79,covalent,SING,O33,C26,no,N,79,,23284,bmse001242,BMET001242
80,covalent,SING,O33,H83,no,N,80,,23284,bmse001242,BMET001242
81,covalent,SING,S34,C19,no,N,81,,23284,bmse001242,BMET001242
82,covalent,SING,S34,C31,no,N,82,,23284,bmse001242,BMET001242
83,covalent,SING,S35,C20,no,N,83,,23284,bmse001242,BMET001242
84,covalent,SING,S35,C31,no,N,84,,23284,bmse001242,BMET001242
1,covalent,SING,C1,H30,no,N,1,,23308,bmse001243,BMET001243
2,covalent,SING,C1,H31,no,N,2,,23308,bmse001243,BMET001243
3,covalent,SING,C2,H32,no,N,3,,23308,bmse001243,BMET001243
4,covalent,SING,C2,H33,no,N,4,,23308,bmse001243,BMET001243
5,covalent,SING,C2,H34,no,N,5,,23308,bmse001243,BMET001243
6,covalent,SING,C3,H35,no,N,6,,23308,bmse001243,BMET001243
7,covalent,SING,C3,H36,no,N,7,,23308,bmse001243,BMET001243
8,covalent,SING,C3,H37,no,N,8,,23308,bmse001243,BMET001243
9,covalent,SING,C4,H38,no,N,9,,23308,bmse001243,BMET001243
10,covalent,SING,C4,H39,no,N,10,,23308,bmse001243,BMET001243
11,covalent,SING,C4,H40,no,N,11,,23308,bmse001243,BMET001243
12,covalent,AROM,C5,C6,yes,N,12,,23308,bmse001243,BMET001243
13,covalent,SING,C5,H41,no,N,13,,23308,bmse001243,BMET001243
14,covalent,SING,C6,H42,no,N,14,,23308,bmse001243,BMET001243
15,covalent,AROM,C7,C18,yes,N,15,,23308,bmse001243,BMET001243
16,covalent,SING,C7,H43,no,N,16,,23308,bmse001243,BMET001243
17,covalent,SING,C8,C16,no,N,17,,23308,bmse001243,BMET001243
18,covalent,SING,C8,H44,no,N,18,,23308,bmse001243,BMET001243
19,covalent,SING,C8,H45,no,N,19,,23308,bmse001243,BMET001243
20,covalent,AROM,C9,C19,yes,N,20,,23308,bmse001243,BMET001243
21,covalent,SING,C9,H46,no,N,21,,23308,bmse001243,BMET001243
22,covalent,SING,C10,H47,no,N,22,,23308,bmse001243,BMET001243
23,covalent,SING,C10,H48,no,N,23,,23308,bmse001243,BMET001243
24,covalent,DOUB,C11,C1,no,N,24,,23308,bmse001243,BMET001243
25,covalent,SING,C11,C2,no,N,25,,23308,bmse001243,BMET001243
26,covalent,AROM,C12,C5,yes,N,26,,23308,bmse001243,BMET001243
27,covalent,AROM,C13,C7,yes,N,27,,23308,bmse001243,BMET001243
28,covalent,AROM,C13,C17,yes,N,28,,23308,bmse001243,BMET001243
29,covalent,SING,C14,C8,no,N,29,,23308,bmse001243,BMET001243
30,covalent,AROM,C14,C15,yes,N,30,,23308,bmse001243,BMET001243
31,covalent,AROM,C15,C6,yes,N,31,,23308,bmse001243,BMET001243
32,covalent,SING,C16,C11,no,N,32,,23308,bmse001243,BMET001243
33,covalent,SING,C16,H49,no,N,33,,23308,bmse001243,BMET001243
34,covalent,AROM,C17,C9,yes,N,34,,23308,bmse001243,BMET001243
35,covalent,AROM,C18,C19,yes,N,35,,23308,bmse001243,BMET001243
36,covalent,SING,C20,C10,no,N,36,,23308,bmse001243,BMET001243
37,covalent,SING,C20,H50,no,N,37,,23308,bmse001243,BMET001243
38,covalent,SING,C21,C13,no,N,38,,23308,bmse001243,BMET001243
39,covalent,SING,C21,C20,no,N,39,,23308,bmse001243,BMET001243
40,covalent,SING,C21,C22,no,N,40,,23308,bmse001243,BMET001243
41,covalent,SING,C21,H51,no,N,41,,23308,bmse001243,BMET001243
42,covalent,SING,C22,C12,no,N,42,,23308,bmse001243,BMET001243
43,covalent,AROM,C23,C12,yes,N,43,,23308,bmse001243,BMET001243
44,covalent,AROM,C23,C14,yes,N,44,,23308,bmse001243,BMET001243
45,carbonyl,DOUB,O24,C22,no,N,45,,23308,bmse001243,BMET001243
46,covalent,SING,O25,C3,no,N,46,,23308,bmse001243,BMET001243
47,covalent,SING,O25,C18,no,N,47,,23308,bmse001243,BMET001243
48,covalent,SING,O26,C4,no,N,48,,23308,bmse001243,BMET001243
49,covalent,SING,O26,C19,no,N,49,,23308,bmse001243,BMET001243
50,covalent,SING,O27,C10,no,N,50,,23308,bmse001243,BMET001243
51,covalent,SING,O27,C17,no,N,51,,23308,bmse001243,BMET001243
52,covalent,SING,O28,C15,no,N,52,,23308,bmse001243,BMET001243
53,covalent,SING,O28,C16,no,N,53,,23308,bmse001243,BMET001243
54,covalent,SING,O29,C20,no,N,54,,23308,bmse001243,BMET001243
55,covalent,SING,O29,C23,no,N,55,,23308,bmse001243,BMET001243
1,covalent,SING,C1,H16,no,N,1,,23332,bmse001244,BMET001244
2,covalent,AROM,C2,C1,yes,N,2,,23332,bmse001244,BMET001244
3,covalent,SING,C2,H17,no,N,3,,23332,bmse001244,BMET001244
4,covalent,AROM,C3,C4,yes,N,4,,23332,bmse001244,BMET001244
5,covalent,SING,C3,H18,no,N,5,,23332,bmse001244,BMET001244
6,covalent,AROM,C4,C1,yes,N,6,,23332,bmse001244,BMET001244
7,covalent,AROM,C5,C2,yes,N,7,,23332,bmse001244,BMET001244
8,covalent,AROM,C6,C3,yes,N,8,,23332,bmse001244,BMET001244
9,covalent,AROM,C6,C5,yes,N,9,,23332,bmse001244,BMET001244
10,covalent,SING,F9,C8,no,N,10,,23332,bmse001244,BMET001244
11,covalent,SING,F10,C8,no,N,11,,23332,bmse001244,BMET001244
12,covalent,SING,F11,C8,no,N,12,,23332,bmse001244,BMET001244
13,covalent,SING,N12,C7,no,N,13,,23332,bmse001244,BMET001244
14,covalent,SING,N12,H19,no,N,14,,23332,bmse001244,BMET001244
15,covalent,SING,N12,H20,no,N,15,,23332,bmse001244,BMET001244
16,covalent,AROM,N13,C5,yes,N,16,,23332,bmse001244,BMET001244
17,covalent,AROM,N13,C7,yes,N,17,,23332,bmse001244,BMET001244
18,covalent,SING,O14,C4,no,N,18,,23332,bmse001244,BMET001244
19,covalent,SING,O14,C8,no,N,19,,23332,bmse001244,BMET001244
20,covalent,AROM,S15,C6,yes,N,20,,23332,bmse001244,BMET001244
21,covalent,AROM,S15,C7,yes,N,21,,23332,bmse001244,BMET001244
1,covalent,AROM,C1,C3,yes,N,1,,23356,bmse001245,BMET001245
2,covalent,SING,C1,H14,no,N,2,,23356,bmse001245,BMET001245
3,covalent,AROM,C2,C3,yes,N,3,,23356,bmse001245,BMET001245
4,covalent,SING,C2,H15,no,N,4,,23356,bmse001245,BMET001245
5,covalent,AROM,C4,C1,yes,N,5,,23356,bmse001245,BMET001245
6,covalent,SING,C4,C6,no,N,6,,23356,bmse001245,BMET001245
7,covalent,AROM,C5,C2,yes,N,7,,23356,bmse001245,BMET001245
8,covalent,SING,C5,C7,no,N,8,,23356,bmse001245,BMET001245
9,carbonyl,DOUB,O8,C3,no,N,9,,23356,bmse001245,BMET001245
10,ester,SING,O9,C6,no,N,10,,23356,bmse001245,BMET001245
11,covalent,SING,O9,H16,no,N,11,,23356,bmse001245,BMET001245
12,carbonyl,DOUB,O10,C6,no,N,12,,23356,bmse001245,BMET001245
13,ester,SING,O11,C7,no,N,13,,23356,bmse001245,BMET001245
14,covalent,SING,O11,H17,no,N,14,,23356,bmse001245,BMET001245
15,carbonyl,DOUB,O12,C7,no,N,15,,23356,bmse001245,BMET001245
16,covalent,AROM,O13,C4,yes,N,16,,23356,bmse001245,BMET001245
17,covalent,AROM,O13,C5,yes,N,17,,23356,bmse001245,BMET001245
1,covalent,SING,C1,H13,no,N,1,,23380,bmse001246,BMET001246
2,covalent,SING,C1,H14,no,N,2,,23380,bmse001246,BMET001246
3,covalent,SING,C1,H15,no,N,3,,23380,bmse001246,BMET001246
4,covalent,SING,C2,H16,no,N,4,,23380,bmse001246,BMET001246
5,covalent,SING,C2,H17,no,N,5,,23380,bmse001246,BMET001246
6,covalent,SING,C2,H18,no,N,6,,23380,bmse001246,BMET001246
7,covalent,SING,C3,C1,no,N,7,,23380,bmse001246,BMET001246
8,covalent,SING,C3,H19,no,N,8,,23380,bmse001246,BMET001246
9,covalent,SING,C3,H20,no,N,9,,23380,bmse001246,BMET001246
10,covalent,SING,C4,C3,no,N,10,,23380,bmse001246,BMET001246
11,covalent,SING,C4,H21,no,N,11,,23380,bmse001246,BMET001246
12,covalent,DOUB,C5,C4,no,Z,12,,23380,bmse001246,BMET001246
13,covalent,SING,C5,H22,no,N,13,,23380,bmse001246,BMET001246
14,covalent,SING,C6,C5,no,N,14,,23380,bmse001246,BMET001246
15,covalent,SING,C6,H23,no,N,15,,23380,bmse001246,BMET001246
16,covalent,SING,C6,H24,no,N,16,,23380,bmse001246,BMET001246
17,covalent,SING,C7,C8,no,N,17,,23380,bmse001246,BMET001246
18,covalent,SING,C7,C9,no,N,18,,23380,bmse001246,BMET001246
19,covalent,SING,C7,H25,no,N,19,,23380,bmse001246,BMET001246
20,covalent,SING,C7,H26,no,N,20,,23380,bmse001246,BMET001246
21,covalent,SING,C8,C11,no,N,21,,23380,bmse001246,BMET001246
22,covalent,SING,C8,H27,no,N,22,,23380,bmse001246,BMET001246
23,covalent,SING,C8,H28,no,N,23,,23380,bmse001246,BMET001246
24,covalent,SING,C9,C2,no,N,24,,23380,bmse001246,BMET001246
25,covalent,DOUB,C9,C10,no,N,25,,23380,bmse001246,BMET001246
26,covalent,SING,C10,C6,no,N,26,,23380,bmse001246,BMET001246
27,covalent,SING,C10,C11,no,N,27,,23380,bmse001246,BMET001246
28,carbonyl,DOUB,O12,C11,no,N,28,,23380,bmse001246,BMET001246
1,covalent,SING,C1,H31,no,N,1,,23404,bmse001247,BMET001247
2,covalent,SING,C1,H32,no,N,2,,23404,bmse001247,BMET001247
3,covalent,SING,C1,H33,no,N,3,,23404,bmse001247,BMET001247
4,covalent,SING,C2,H34,no,N,4,,23404,bmse001247,BMET001247
5,covalent,SING,C2,H35,no,N,5,,23404,bmse001247,BMET001247
6,covalent,SING,C2,H36,no,N,6,,23404,bmse001247,BMET001247
7,covalent,SING,C3,H37,no,N,7,,23404,bmse001247,BMET001247
8,covalent,SING,C3,H38,no,N,8,,23404,bmse001247,BMET001247
9,covalent,SING,C3,H39,no,N,9,,23404,bmse001247,BMET001247
10,covalent,SING,C4,H40,no,N,10,,23404,bmse001247,BMET001247
11,covalent,SING,C4,H41,no,N,11,,23404,bmse001247,BMET001247
12,covalent,SING,C4,H42,no,N,12,,23404,bmse001247,BMET001247
13,covalent,SING,C5,H43,no,N,13,,23404,bmse001247,BMET001247
14,covalent,SING,C6,C5,no,N,14,,23404,bmse001247,BMET001247
15,covalent,SING,C6,H44,no,N,15,,23404,bmse001247,BMET001247
16,covalent,SING,C6,H45,no,N,16,,23404,bmse001247,BMET001247
17,covalent,SING,C7,C16,no,N,17,,23404,bmse001247,BMET001247
18,covalent,SING,C7,H46,no,N,18,,23404,bmse001247,BMET001247
19,covalent,SING,C7,H47,no,N,19,,23404,bmse001247,BMET001247
20,covalent,SING,C8,C19,no,N,20,,23404,bmse001247,BMET001247
21,covalent,SING,C8,H48,no,N,21,,23404,bmse001247,BMET001247
22,covalent,SING,C8,H49,no,N,22,,23404,bmse001247,BMET001247
23,covalent,SING,C9,H50,no,N,23,,23404,bmse001247,BMET001247
24,covalent,SING,C9,H51,no,N,24,,23404,bmse001247,BMET001247
25,covalent,SING,C10,C8,no,N,25,,23404,bmse001247,BMET001247
26,covalent,SING,C10,H52,no,N,26,,23404,bmse001247,BMET001247
27,covalent,SING,C10,H53,no,N,27,,23404,bmse001247,BMET001247
28,covalent,SING,C11,C9,no,N,28,,23404,bmse001247,BMET001247
29,covalent,SING,C11,H54,no,N,29,,23404,bmse001247,BMET001247
30,covalent,SING,C11,H55,no,N,30,,23404,bmse001247,BMET001247
31,covalent,SING,C12,C7,no,N,31,,23404,bmse001247,BMET001247
32,covalent,SING,C12,H56,no,N,32,,23404,bmse001247,BMET001247
33,covalent,SING,C12,H57,no,N,33,,23404,bmse001247,BMET001247
34,covalent,SING,C13,C19,no,N,34,,23404,bmse001247,BMET001247
35,covalent,SING,C13,H58,no,N,35,,23404,bmse001247,BMET001247
36,covalent,SING,C13,H59,no,N,36,,23404,bmse001247,BMET001247
37,covalent,SING,C14,H60,no,N,37,,23404,bmse001247,BMET001247
38,covalent,SING,C14,H61,no,N,38,,23404,bmse001247,BMET001247
39,covalent,SING,C15,H62,no,N,39,,23404,bmse001247,BMET001247
40,covalent,SING,C15,H63,no,N,40,,23404,bmse001247,BMET001247
41,covalent,SING,C16,C1,no,N,41,,23404,bmse001247,BMET001247
42,covalent,SING,C16,C15,no,N,42,,23404,bmse001247,BMET001247
43,covalent,SING,C16,H64,no,N,43,,23404,bmse001247,BMET001247
44,covalent,SING,C17,C2,no,N,44,,23404,bmse001247,BMET001247
45,covalent,SING,C17,C27,no,N,45,,23404,bmse001247,BMET001247
46,covalent,SING,C17,H65,no,N,46,,23404,bmse001247,BMET001247
47,covalent,DOUB,C18,C5,no,N,47,,23404,bmse001247,BMET001247
48,covalent,SING,C18,C13,no,N,48,,23404,bmse001247,BMET001247
49,covalent,SING,C19,H66,no,N,49,,23404,bmse001247,BMET001247
50,covalent,SING,C20,C6,no,N,50,,23404,bmse001247,BMET001247
51,covalent,SING,C20,C21,no,N,51,,23404,bmse001247,BMET001247
52,covalent,SING,C20,H67,no,N,52,,23404,bmse001247,BMET001247
53,covalent,SING,C21,C9,no,N,53,,23404,bmse001247,BMET001247
54,covalent,SING,C21,C25,no,N,54,,23404,bmse001247,BMET001247
55,covalent,SING,C21,H68,no,N,55,,23404,bmse001247,BMET001247
56,covalent,SING,C22,C14,no,N,56,,23404,bmse001247,BMET001247
57,covalent,SING,C22,C20,no,N,57,,23404,bmse001247,BMET001247
58,covalent,SING,C22,H69,no,N,58,,23404,bmse001247,BMET001247
59,covalent,SING,C23,C14,no,N,59,,23404,bmse001247,BMET001247
60,covalent,SING,C23,H70,no,N,60,,23404,bmse001247,BMET001247
61,covalent,SING,C24,C17,no,N,61,,23404,bmse001247,BMET001247
62,covalent,SING,C24,C23,no,N,62,,23404,bmse001247,BMET001247
63,covalent,SING,C24,H71,no,N,63,,23404,bmse001247,BMET001247
64,covalent,SING,C25,C3,no,N,64,,23404,bmse001247,BMET001247
65,covalent,SING,C25,C10,no,N,65,,23404,bmse001247,BMET001247
66,covalent,SING,C25,C18,no,N,66,,23404,bmse001247,BMET001247
67,covalent,SING,C26,C4,no,N,67,,23404,bmse001247,BMET001247
68,covalent,SING,C26,C11,no,N,68,,23404,bmse001247,BMET001247
69,covalent,SING,C26,C22,no,N,69,,23404,bmse001247,BMET001247
70,covalent,SING,C26,C24,no,N,70,,23404,bmse001247,BMET001247
71,covalent,SING,C27,C12,no,N,71,,23404,bmse001247,BMET001247
72,covalent,SING,O28,C19,no,N,72,,23404,bmse001247,BMET001247
73,covalent,SING,O28,H72,no,N,73,,23404,bmse001247,BMET001247
74,covalent,SING,O29,C15,no,N,74,,23404,bmse001247,BMET001247
75,covalent,SING,O29,C27,no,N,75,,23404,bmse001247,BMET001247
76,covalent,SING,O30,C23,no,N,76,,23404,bmse001247,BMET001247
77,covalent,SING,O30,C27,no,N,77,,23404,bmse001247,BMET001247
1,covalent,SING,C1,H25,no,N,1,,23428,bmse001248,BMET001248
2,covalent,SING,C1,H26,no,N,2,,23428,bmse001248,BMET001248
3,covalent,SING,C1,H27,no,N,3,,23428,bmse001248,BMET001248
4,covalent,SING,C2,H28,no,N,4,,23428,bmse001248,BMET001248
5,covalent,SING,C2,H29,no,N,5,,23428,bmse001248,BMET001248
6,covalent,SING,C2,H30,no,N,6,,23428,bmse001248,BMET001248
7,covalent,SING,C3,H31,no,N,7,,23428,bmse001248,BMET001248
8,covalent,SING,C3,H32,no,N,8,,23428,bmse001248,BMET001248
9,covalent,SING,C3,H33,no,N,9,,23428,bmse001248,BMET001248
10,covalent,SING,C4,H34,no,N,10,,23428,bmse001248,BMET001248
11,covalent,SING,C4,H35,no,N,11,,23428,bmse001248,BMET001248
12,covalent,SING,C5,C4,no,N,12,,23428,bmse001248,BMET001248
13,covalent,SING,C5,H36,no,N,13,,23428,bmse001248,BMET001248
14,covalent,SING,C5,H37,no,N,14,,23428,bmse001248,BMET001248
15,covalent,SING,C6,C11,no,N,15,,23428,bmse001248,BMET001248
16,covalent,SING,C6,H38,no,N,16,,23428,bmse001248,BMET001248
17,covalent,SING,C6,H39,no,N,17,,23428,bmse001248,BMET001248
18,covalent,AROM,C7,C15,yes,N,18,,23428,bmse001248,BMET001248
19,covalent,SING,C7,H40,no,N,19,,23428,bmse001248,BMET001248
20,covalent,AROM,C8,C14,yes,N,20,,23428,bmse001248,BMET001248
21,covalent,SING,C8,H41,no,N,21,,23428,bmse001248,BMET001248
22,covalent,AROM,C9,C16,yes,N,22,,23428,bmse001248,BMET001248
23,covalent,SING,C9,H42,no,N,23,,23428,bmse001248,BMET001248
24,covalent,SING,C10,C4,no,N,24,,23428,bmse001248,BMET001248
25,covalent,AROM,C10,C7,yes,N,25,,23428,bmse001248,BMET001248
26,covalent,AROM,C11,C8,yes,N,26,,23428,bmse001248,BMET001248
27,covalent,AROM,C11,C12,yes,N,27,,23428,bmse001248,BMET001248
28,covalent,AROM,C12,C9,yes,N,28,,23428,bmse001248,BMET001248
29,covalent,SING,C13,C6,no,N,29,,23428,bmse001248,BMET001248
30,covalent,SING,C13,C17,no,N,30,,23428,bmse001248,BMET001248
31,covalent,SING,C13,H43,no,N,31,,23428,bmse001248,BMET001248
32,covalent,AROM,C16,C14,yes,N,32,,23428,bmse001248,BMET001248
33,covalent,AROM,C17,C10,yes,N,33,,23428,bmse001248,BMET001248
34,covalent,AROM,C17,C18,yes,N,34,,23428,bmse001248,BMET001248
35,covalent,SING,C18,C12,no,N,35,,23428,bmse001248,BMET001248
36,covalent,AROM,C18,C19,yes,N,36,,23428,bmse001248,BMET001248
37,covalent,AROM,C19,C15,yes,N,37,,23428,bmse001248,BMET001248
38,covalent,SING,N20,C1,no,N,38,,23428,bmse001248,BMET001248
39,covalent,SING,N20,C5,no,N,39,,23428,bmse001248,BMET001248
40,covalent,SING,N20,C13,no,N,40,,23428,bmse001248,BMET001248
41,covalent,SING,O21,C14,no,N,41,,23428,bmse001248,BMET001248
42,covalent,SING,O21,H44,no,N,42,,23428,bmse001248,BMET001248
43,covalent,SING,O22,C15,no,N,43,,23428,bmse001248,BMET001248
44,covalent,SING,O22,H45,no,N,44,,23428,bmse001248,BMET001248
45,covalent,SING,O23,C2,no,N,45,,23428,bmse001248,BMET001248
46,covalent,SING,O23,C16,no,N,46,,23428,bmse001248,BMET001248
47,covalent,SING,O24,C3,no,N,47,,23428,bmse001248,BMET001248
48,covalent,SING,O24,C19,no,N,48,,23428,bmse001248,BMET001248
1,covalent,SING,C1,H21,no,N,1,,23452,bmse001249,BMET001249
2,covalent,SING,C1,H22,no,N,2,,23452,bmse001249,BMET001249
3,covalent,SING,C1,H23,no,N,3,,23452,bmse001249,BMET001249
4,covalent,SING,C2,H24,no,N,4,,23452,bmse001249,BMET001249
5,covalent,SING,C2,H25,no,N,5,,23452,bmse001249,BMET001249
6,covalent,SING,C2,H26,no,N,6,,23452,bmse001249,BMET001249
7,covalent,SING,C3,H27,no,N,7,,23452,bmse001249,BMET001249
8,covalent,SING,C3,H28,no,N,8,,23452,bmse001249,BMET001249
9,covalent,SING,C3,H29,no,N,9,,23452,bmse001249,BMET001249
10,covalent,SING,C4,H30,no,N,10,,23452,bmse001249,BMET001249
11,covalent,SING,C4,H31,no,N,11,,23452,bmse001249,BMET001249
12,covalent,SING,C5,C4,no,N,12,,23452,bmse001249,BMET001249
13,covalent,SING,C5,H32,no,N,13,,23452,bmse001249,BMET001249
14,covalent,SING,C5,H33,no,N,14,,23452,bmse001249,BMET001249
15,covalent,SING,C6,C7,no,N,15,,23452,bmse001249,BMET001249
16,covalent,SING,C6,H34,no,N,16,,23452,bmse001249,BMET001249
17,covalent,SING,C6,H35,no,N,17,,23452,bmse001249,BMET001249
18,covalent,SING,C7,H36,no,N,18,,23452,bmse001249,BMET001249
19,covalent,SING,C7,H37,no,N,19,,23452,bmse001249,BMET001249
20,covalent,SING,C8,C1,no,N,20,,23452,bmse001249,BMET001249
21,covalent,SING,C8,C4,no,N,21,,23452,bmse001249,BMET001249
22,covalent,SING,C8,H38,no,N,22,,23452,bmse001249,BMET001249
23,covalent,SING,C9,C2,no,N,23,,23452,bmse001249,BMET001249
24,covalent,SING,C9,C12,no,N,24,,23452,bmse001249,BMET001249
25,covalent,SING,C9,H39,no,N,25,,23452,bmse001249,BMET001249
26,covalent,SING,C10,C6,no,N,26,,23452,bmse001249,BMET001249
27,covalent,SING,C10,C8,no,N,27,,23452,bmse001249,BMET001249
28,covalent,SING,C10,H40,no,N,28,,23452,bmse001249,BMET001249
29,covalent,SING,C11,C5,no,N,29,,23452,bmse001249,BMET001249
30,covalent,SING,C11,C9,no,N,30,,23452,bmse001249,BMET001249
31,covalent,SING,C11,H41,no,N,31,,23452,bmse001249,BMET001249
32,covalent,SING,C13,H42,no,N,32,,23452,bmse001249,BMET001249
33,covalent,SING,C14,C3,no,N,33,,23452,bmse001249,BMET001249
34,covalent,SING,C14,C7,no,N,34,,23452,bmse001249,BMET001249
35,covalent,SING,C15,C10,no,N,35,,23452,bmse001249,BMET001249
36,covalent,SING,C15,C11,no,N,36,,23452,bmse001249,BMET001249
37,covalent,SING,C15,C13,no,N,37,,23452,bmse001249,BMET001249
38,carbonyl,DOUB,O16,C12,no,N,38,,23452,bmse001249,BMET001249
39,ester,SING,O17,C12,no,N,39,,23452,bmse001249,BMET001249
40,covalent,SING,O17,C13,no,N,40,,23452,bmse001249,BMET001249
41,covalent,SING,O18,C13,no,N,41,,23452,bmse001249,BMET001249
42,covalent,SING,O18,C14,no,N,42,,23452,bmse001249,BMET001249
43,covalent,SING,O19,C14,no,N,43,,23452,bmse001249,BMET001249
44,covalent,SING,O20,C15,no,N,44,,23452,bmse001249,BMET001249
45,covalent,SING,O20,O19,no,N,45,,23452,bmse001249,BMET001249
1,covalent,SING,C1,H26,no,N,1,,23476,bmse001250,BMET001250
2,covalent,SING,C1,H27,no,N,2,,23476,bmse001250,BMET001250
3,covalent,SING,C1,H28,no,N,3,,23476,bmse001250,BMET001250
4,covalent,SING,C2,H29,no,N,4,,23476,bmse001250,BMET001250
5,covalent,SING,C2,H30,no,N,5,,23476,bmse001250,BMET001250
6,covalent,SING,C2,H31,no,N,6,,23476,bmse001250,BMET001250
7,covalent,SING,C3,H32,no,N,7,,23476,bmse001250,BMET001250
8,covalent,SING,C3,H33,no,N,8,,23476,bmse001250,BMET001250
9,covalent,SING,C3,H34,no,N,9,,23476,bmse001250,BMET001250
10,covalent,SING,C4,H35,no,N,10,,23476,bmse001250,BMET001250
11,covalent,SING,C4,H36,no,N,11,,23476,bmse001250,BMET001250
12,covalent,SING,C4,H37,no,N,12,,23476,bmse001250,BMET001250
13,covalent,AROM,C5,C6,yes,N,13,,23476,bmse001250,BMET001250
14,covalent,SING,C5,H38,no,N,14,,23476,bmse001250,BMET001250
15,covalent,SING,C6,H39,no,N,15,,23476,bmse001250,BMET001250
16,covalent,SING,C7,H40,no,N,16,,23476,bmse001250,BMET001250
17,covalent,SING,C7,H41,no,N,17,,23476,bmse001250,BMET001250
18,covalent,SING,C8,C7,no,N,18,,23476,bmse001250,BMET001250
19,covalent,SING,C8,H42,no,N,19,,23476,bmse001250,BMET001250
20,covalent,SING,C8,H43,no,N,20,,23476,bmse001250,BMET001250
21,covalent,SING,C9,C11,no,N,21,,23476,bmse001250,BMET001250
22,covalent,SING,C9,H44,no,N,22,,23476,bmse001250,BMET001250
23,covalent,SING,C9,H45,no,N,23,,23476,bmse001250,BMET001250
24,covalent,AROM,C10,C15,yes,N,24,,23476,bmse001250,BMET001250
25,covalent,SING,C10,H46,no,N,25,,23476,bmse001250,BMET001250
26,covalent,AROM,C11,C5,yes,N,26,,23476,bmse001250,BMET001250
27,covalent,AROM,C11,C17,yes,N,27,,23476,bmse001250,BMET001250
28,covalent,SING,C12,C7,no,N,28,,23476,bmse001250,BMET001250
29,covalent,AROM,C12,C10,yes,N,29,,23476,bmse001250,BMET001250
30,covalent,SING,C13,C9,no,N,30,,23476,bmse001250,BMET001250
31,covalent,SING,C13,C16,no,N,31,,23476,bmse001250,BMET001250
32,covalent,SING,C13,H47,no,N,32,,23476,bmse001250,BMET001250
33,covalent,AROM,C14,C6,yes,N,33,,23476,bmse001250,BMET001250
34,covalent,AROM,C16,C12,yes,N,34,,23476,bmse001250,BMET001250
35,covalent,AROM,C16,C18,yes,N,35,,23476,bmse001250,BMET001250
36,covalent,AROM,C17,C19,yes,N,36,,23476,bmse001250,BMET001250
37,covalent,SING,C18,C17,no,N,37,,23476,bmse001250,BMET001250
38,covalent,AROM,C18,C20,yes,N,38,,23476,bmse001250,BMET001250
39,covalent,AROM,C19,C14,yes,N,39,,23476,bmse001250,BMET001250
40,covalent,AROM,C20,C15,yes,N,40,,23476,bmse001250,BMET001250
41,covalent,SING,N21,C1,no,N,41,,23476,bmse001250,BMET001250
42,covalent,SING,N21,C8,no,N,42,,23476,bmse001250,BMET001250
43,covalent,SING,N21,C13,no,N,43,,23476,bmse001250,BMET001250
44,covalent,SING,O22,C19,no,N,44,,23476,bmse001250,BMET001250
45,covalent,SING,O22,H48,no,N,45,,23476,bmse001250,BMET001250
46,covalent,SING,O23,C2,no,N,46,,23476,bmse001250,BMET001250
47,covalent,SING,O23,C14,no,N,47,,23476,bmse001250,BMET001250
48,covalent,SING,O24,C3,no,N,48,,23476,bmse001250,BMET001250
49,covalent,SING,O24,C15,no,N,49,,23476,bmse001250,BMET001250
50,covalent,SING,O25,C4,no,N,50,,23476,bmse001250,BMET001250
51,covalent,SING,O25,C20,no,N,51,,23476,bmse001250,BMET001250
1,covalent,SING,C1,H31,no,N,1,,23500,bmse001251,BMET001251
2,covalent,SING,C1,H32,no,N,2,,23500,bmse001251,BMET001251
3,covalent,SING,C1,H33,no,N,3,,23500,bmse001251,BMET001251
4,covalent,SING,C2,H34,no,N,4,,23500,bmse001251,BMET001251
5,covalent,SING,C2,H35,no,N,5,,23500,bmse001251,BMET001251
6,covalent,SING,C2,H36,no,N,6,,23500,bmse001251,BMET001251
7,covalent,SING,C3,H37,no,N,7,,23500,bmse001251,BMET001251
8,covalent,SING,C3,H38,no,N,8,,23500,bmse001251,BMET001251
9,covalent,SING,C3,H39,no,N,9,,23500,bmse001251,BMET001251
10,covalent,SING,C4,H40,no,N,10,,23500,bmse001251,BMET001251
11,covalent,SING,C4,H41,no,N,11,,23500,bmse001251,BMET001251
12,covalent,SING,C4,H42,no,N,12,,23500,bmse001251,BMET001251
13,covalent,AROM,C5,C6,yes,N,13,,23500,bmse001251,BMET001251
14,covalent,SING,C5,H43,no,N,14,,23500,bmse001251,BMET001251
15,covalent,AROM,C6,C13,yes,N,15,,23500,bmse001251,BMET001251
16,covalent,SING,C6,H44,no,N,16,,23500,bmse001251,BMET001251
17,covalent,SING,C7,H45,no,N,17,,23500,bmse001251,BMET001251
18,covalent,SING,C7,H46,no,N,18,,23500,bmse001251,BMET001251
19,covalent,SING,C8,C7,no,N,19,,23500,bmse001251,BMET001251
20,covalent,SING,C8,H47,no,N,20,,23500,bmse001251,BMET001251
21,covalent,SING,C8,H48,no,N,21,,23500,bmse001251,BMET001251
22,covalent,AROM,C9,C14,yes,N,22,,23500,bmse001251,BMET001251
23,covalent,SING,C9,H49,no,N,23,,23500,bmse001251,BMET001251
24,covalent,SING,C10,H50,no,N,24,,23500,bmse001251,BMET001251
25,covalent,SING,C10,H51,no,N,25,,23500,bmse001251,BMET001251
26,covalent,SING,C11,C7,no,N,26,,23500,bmse001251,BMET001251
27,covalent,AROM,C11,C9,yes,N,27,,23500,bmse001251,BMET001251
28,covalent,AROM,C12,C5,yes,N,28,,23500,bmse001251,BMET001251
29,covalent,AROM,C12,C16,yes,N,29,,23500,bmse001251,BMET001251
30,covalent,AROM,C15,C11,yes,N,30,,23500,bmse001251,BMET001251
31,covalent,AROM,C15,C21,yes,N,31,,23500,bmse001251,BMET001251
32,covalent,AROM,C16,C19,yes,N,32,,23500,bmse001251,BMET001251
33,covalent,SING,C16,C22,no,N,33,,23500,bmse001251,BMET001251
34,covalent,SING,C17,C15,no,N,34,,23500,bmse001251,BMET001251
35,covalent,SING,C17,C18,no,N,35,,23500,bmse001251,BMET001251
36,covalent,SING,C17,H52,no,N,36,,23500,bmse001251,BMET001251
37,covalent,SING,C18,C12,no,N,37,,23500,bmse001251,BMET001251
38,covalent,SING,C18,H53,no,N,38,,23500,bmse001251,BMET001251
39,covalent,AROM,C19,C13,yes,N,39,,23500,bmse001251,BMET001251
40,covalent,AROM,C20,C14,yes,N,40,,23500,bmse001251,BMET001251
41,covalent,AROM,C21,C20,yes,N,41,,23500,bmse001251,BMET001251
42,covalent,SING,N23,C1,no,N,42,,23500,bmse001251,BMET001251
43,covalent,SING,N23,C8,no,N,43,,23500,bmse001251,BMET001251
44,covalent,SING,N23,C17,no,N,44,,23500,bmse001251,BMET001251
45,carbonyl,DOUB,O24,C22,no,N,45,,23500,bmse001251,BMET001251
46,covalent,SING,O25,C2,no,N,46,,23500,bmse001251,BMET001251
47,covalent,SING,O25,C13,no,N,47,,23500,bmse001251,BMET001251
48,covalent,SING,O26,C3,no,N,48,,23500,bmse001251,BMET001251
49,covalent,SING,O26,C19,no,N,49,,23500,bmse001251,BMET001251
50,covalent,SING,O27,C4,no,N,50,,23500,bmse001251,BMET001251
51,covalent,SING,O27,C21,no,N,51,,23500,bmse001251,BMET001251
52,covalent,SING,O28,C10,no,N,52,,23500,bmse001251,BMET001251
53,covalent,SING,O28,C14,no,N,53,,23500,bmse001251,BMET001251
54,covalent,SING,O29,C10,no,N,54,,23500,bmse001251,BMET001251
55,covalent,SING,O29,C20,no,N,55,,23500,bmse001251,BMET001251
56,covalent,SING,O30,C18,no,N,56,,23500,bmse001251,BMET001251
57,ester,SING,O30,C22,no,N,57,,23500,bmse001251,BMET001251
1,covalent,SING,C1,H16,no,N,1,,23524,bmse001252,BMET001252
2,covalent,SING,C1,H17,no,N,2,,23524,bmse001252,BMET001252
3,covalent,SING,C1,H18,no,N,3,,23524,bmse001252,BMET001252
4,covalent,SING,C2,H19,no,N,4,,23524,bmse001252,BMET001252
5,covalent,SING,C2,H20,no,N,5,,23524,bmse001252,BMET001252
6,covalent,SING,C3,H21,no,N,6,,23524,bmse001252,BMET001252
7,covalent,SING,C3,H22,no,N,7,,23524,bmse001252,BMET001252
8,covalent,SING,C3,H23,no,N,8,,23524,bmse001252,BMET001252
9,covalent,SING,C4,H24,no,N,9,,23524,bmse001252,BMET001252
10,covalent,SING,C4,H25,no,N,10,,23524,bmse001252,BMET001252
11,covalent,SING,C4,H26,no,N,11,,23524,bmse001252,BMET001252
12,covalent,SING,C5,C6,no,N,12,,23524,bmse001252,BMET001252
13,covalent,SING,C5,H27,no,N,13,,23524,bmse001252,BMET001252
14,covalent,SING,C5,H28,no,N,14,,23524,bmse001252,BMET001252
15,covalent,SING,C6,H29,no,N,15,,23524,bmse001252,BMET001252
16,covalent,SING,C7,C5,no,N,16,,23524,bmse001252,BMET001252
17,covalent,SING,C7,H30,no,N,17,,23524,bmse001252,BMET001252
18,covalent,SING,C7,H31,no,N,18,,23524,bmse001252,BMET001252
19,covalent,SING,C8,C11,no,N,19,,23524,bmse001252,BMET001252
20,covalent,SING,C8,H32,no,N,20,,23524,bmse001252,BMET001252
21,covalent,SING,C8,H33,no,N,21,,23524,bmse001252,BMET001252
22,covalent,SING,C9,C8,no,N,22,,23524,bmse001252,BMET001252
23,covalent,SING,C9,H34,no,N,23,,23524,bmse001252,BMET001252
24,covalent,SING,C9,H35,no,N,24,,23524,bmse001252,BMET001252
25,covalent,SING,C10,H36,no,N,25,,23524,bmse001252,BMET001252
26,covalent,SING,C10,H37,no,N,26,,23524,bmse001252,BMET001252
27,covalent,SING,C11,C1,no,N,27,,23524,bmse001252,BMET001252
28,covalent,DOUB,C11,C6,no,N,28,,23524,bmse001252,BMET001252
29,covalent,DOUB,C12,C2,no,N,29,,23524,bmse001252,BMET001252
30,covalent,SING,C12,C7,no,N,30,,23524,bmse001252,BMET001252
31,covalent,SING,C13,C10,no,N,31,,23524,bmse001252,BMET001252
32,covalent,SING,C13,C12,no,N,32,,23524,bmse001252,BMET001252
33,covalent,SING,C13,H38,no,N,33,,23524,bmse001252,BMET001252
34,covalent,SING,C14,C9,no,N,34,,23524,bmse001252,BMET001252
35,covalent,SING,C14,C13,no,N,35,,23524,bmse001252,BMET001252
36,covalent,SING,C14,H39,no,N,36,,23524,bmse001252,BMET001252
37,covalent,SING,C15,C3,no,N,37,,23524,bmse001252,BMET001252
38,covalent,SING,C15,C4,no,N,38,,23524,bmse001252,BMET001252
39,covalent,SING,C15,C10,no,N,39,,23524,bmse001252,BMET001252
40,covalent,SING,C15,C14,no,N,40,,23524,bmse001252,BMET001252
1,covalent,SING,C1,H16,no,N,1,,23548,bmse001253,BMET001253
2,covalent,SING,C1,H17,no,N,2,,23548,bmse001253,BMET001253
3,covalent,SING,C1,H18,no,N,3,,23548,bmse001253,BMET001253
4,covalent,SING,C2,H19,no,N,4,,23548,bmse001253,BMET001253
5,covalent,SING,C2,H20,no,N,5,,23548,bmse001253,BMET001253
6,covalent,SING,C2,H21,no,N,6,,23548,bmse001253,BMET001253
7,covalent,SING,C3,H22,no,N,7,,23548,bmse001253,BMET001253
8,covalent,SING,C3,H23,no,N,8,,23548,bmse001253,BMET001253
9,covalent,SING,C3,H24,no,N,9,,23548,bmse001253,BMET001253
10,covalent,SING,C4,H25,no,N,10,,23548,bmse001253,BMET001253
11,covalent,SING,C4,H26,no,N,11,,23548,bmse001253,BMET001253
12,covalent,SING,C4,H27,no,N,12,,23548,bmse001253,BMET001253
13,covalent,SING,C5,H28,no,N,13,,23548,bmse001253,BMET001253
14,covalent,SING,C6,H29,no,N,14,,23548,bmse001253,BMET001253
15,covalent,AROM,C7,C5,yes,N,15,,23548,bmse001253,BMET001253
16,covalent,SING,C7,H30,no,N,16,,23548,bmse001253,BMET001253
17,covalent,AROM,C8,C6,yes,N,17,,23548,bmse001253,BMET001253
18,covalent,SING,C8,H31,no,N,18,,23548,bmse001253,BMET001253
19,covalent,SING,C9,H32,no,N,19,,23548,bmse001253,BMET001253
20,covalent,SING,C10,C1,no,N,20,,23548,bmse001253,BMET001253
21,covalent,SING,C10,C2,no,N,21,,23548,bmse001253,BMET001253
22,covalent,SING,C10,C13,no,N,22,,23548,bmse001253,BMET001253
23,covalent,SING,C10,H33,no,N,23,,23548,bmse001253,BMET001253
24,covalent,SING,C11,C3,no,N,24,,23548,bmse001253,BMET001253
25,covalent,AROM,C11,C5,yes,N,25,,23548,bmse001253,BMET001253
26,covalent,SING,C12,C4,no,N,26,,23548,bmse001253,BMET001253
27,covalent,AROM,C12,C6,yes,N,27,,23548,bmse001253,BMET001253
28,covalent,AROM,C13,C7,yes,N,28,,23548,bmse001253,BMET001253
29,covalent,AROM,C13,C9,yes,N,29,,23548,bmse001253,BMET001253
30,covalent,AROM,C14,C8,yes,N,30,,23548,bmse001253,BMET001253
31,covalent,AROM,C14,C11,yes,N,31,,23548,bmse001253,BMET001253
32,covalent,AROM,C15,C9,yes,N,32,,23548,bmse001253,BMET001253
33,covalent,AROM,C15,C12,yes,N,33,,23548,bmse001253,BMET001253
34,covalent,SING,C15,C14,no,N,34,,23548,bmse001253,BMET001253
1,covalent,SING,C1,H17,no,N,1,,23572,bmse001254,BMET001254
2,covalent,SING,C1,H18,no,N,2,,23572,bmse001254,BMET001254
3,covalent,SING,C2,H19,no,N,3,,23572,bmse001254,BMET001254
4,covalent,SING,C2,H20,no,N,4,,23572,bmse001254,BMET001254
5,covalent,SING,C2,H21,no,N,5,,23572,bmse001254,BMET001254
6,covalent,SING,C3,H22,no,N,6,,23572,bmse001254,BMET001254
7,covalent,SING,C3,H23,no,N,7,,23572,bmse001254,BMET001254
8,covalent,SING,C3,H24,no,N,8,,23572,bmse001254,BMET001254
9,covalent,SING,C4,H25,no,N,9,,23572,bmse001254,BMET001254
10,covalent,SING,C4,H26,no,N,10,,23572,bmse001254,BMET001254
11,covalent,SING,C4,H27,no,N,11,,23572,bmse001254,BMET001254
12,covalent,SING,C5,H28,no,N,12,,23572,bmse001254,BMET001254
13,covalent,SING,C5,H29,no,N,13,,23572,bmse001254,BMET001254
14,covalent,SING,C5,H30,no,N,14,,23572,bmse001254,BMET001254
15,covalent,DOUB,C6,C1,no,N,15,,23572,bmse001254,BMET001254
16,covalent,SING,C6,H31,no,N,16,,23572,bmse001254,BMET001254
17,covalent,SING,C7,C9,no,N,17,,23572,bmse001254,BMET001254
18,covalent,SING,C7,H32,no,N,18,,23572,bmse001254,BMET001254
19,covalent,SING,C7,H33,no,N,19,,23572,bmse001254,BMET001254
20,covalent,SING,C8,C11,no,N,20,,23572,bmse001254,BMET001254
21,covalent,SING,C8,H34,no,N,21,,23572,bmse001254,BMET001254
22,covalent,SING,C8,H35,no,N,22,,23572,bmse001254,BMET001254
23,covalent,DOUB,C9,C13,no,N,23,,23572,bmse001254,BMET001254
24,covalent,SING,C9,H36,no,N,24,,23572,bmse001254,BMET001254
25,covalent,SING,C10,C7,no,N,25,,23572,bmse001254,BMET001254
26,covalent,SING,C10,H37,no,N,26,,23572,bmse001254,BMET001254
27,covalent,SING,C10,H38,no,N,27,,23572,bmse001254,BMET001254
28,covalent,DOUB,C11,C14,no,E,28,,23572,bmse001254,BMET001254
29,covalent,SING,C11,H39,no,N,29,,23572,bmse001254,BMET001254
30,covalent,SING,C12,C8,no,N,30,,23572,bmse001254,BMET001254
31,covalent,SING,C12,H40,no,N,31,,23572,bmse001254,BMET001254
32,covalent,SING,C12,H41,no,N,32,,23572,bmse001254,BMET001254
33,covalent,SING,C13,C2,no,N,33,,23572,bmse001254,BMET001254
34,covalent,SING,C13,C3,no,N,34,,23572,bmse001254,BMET001254
35,covalent,SING,C14,C4,no,N,35,,23572,bmse001254,BMET001254
36,covalent,SING,C14,C10,no,N,36,,23572,bmse001254,BMET001254
37,covalent,SING,C15,C5,no,N,37,,23572,bmse001254,BMET001254
38,covalent,SING,C15,C6,no,N,38,,23572,bmse001254,BMET001254
39,covalent,SING,C15,C12,no,N,39,,23572,bmse001254,BMET001254
40,covalent,SING,O16,C15,no,N,40,,23572,bmse001254,BMET001254
41,covalent,SING,O16,H42,no,N,41,,23572,bmse001254,BMET001254
1,covalent,AROM,C1,C2,yes,N,1,,23596,bmse001255,BMET001255
2,covalent,SING,C1,H22,no,N,2,,23596,bmse001255,BMET001255
3,covalent,AROM,C2,C10,yes,N,3,,23596,bmse001255,BMET001255
4,covalent,SING,C2,H23,no,N,4,,23596,bmse001255,BMET001255
5,covalent,AROM,C3,C12,yes,N,5,,23596,bmse001255,BMET001255
6,covalent,SING,C3,H24,no,N,6,,23596,bmse001255,BMET001255
7,covalent,AROM,C4,C8,yes,N,7,,23596,bmse001255,BMET001255
8,covalent,SING,C4,H25,no,N,8,,23596,bmse001255,BMET001255
9,covalent,AROM,C5,C8,yes,N,9,,23596,bmse001255,BMET001255
10,covalent,SING,C5,H26,no,N,10,,23596,bmse001255,BMET001255
11,covalent,SING,C6,C9,no,N,11,,23596,bmse001255,BMET001255
12,covalent,SING,C6,H27,no,N,12,,23596,bmse001255,BMET001255
13,covalent,SING,C6,H28,no,N,13,,23596,bmse001255,BMET001255
14,covalent,AROM,C7,C1,yes,N,14,,23596,bmse001255,BMET001255
15,covalent,AROM,C7,C3,yes,N,15,,23596,bmse001255,BMET001255
16,covalent,AROM,C9,C11,yes,N,16,,23596,bmse001255,BMET001255
17,covalent,AROM,C9,C14,yes,N,17,,23596,bmse001255,BMET001255
18,covalent,AROM,C11,C4,yes,N,18,,23596,bmse001255,BMET001255
19,covalent,AROM,C12,C10,yes,N,19,,23596,bmse001255,BMET001255
20,covalent,SING,C13,C6,no,N,20,,23596,bmse001255,BMET001255
21,covalent,SING,C13,C15,no,N,21,,23596,bmse001255,BMET001255
22,covalent,SING,C13,H29,no,N,22,,23596,bmse001255,BMET001255
23,covalent,AROM,C14,C5,yes,N,23,,23596,bmse001255,BMET001255
24,covalent,SING,C15,C7,no,N,24,,23596,bmse001255,BMET001255
25,covalent,SING,C15,H30,no,N,25,,23596,bmse001255,BMET001255
26,covalent,SING,O16,C8,no,N,26,,23596,bmse001255,BMET001255
27,covalent,SING,O16,H31,no,N,27,,23596,bmse001255,BMET001255
28,covalent,SING,O17,C10,no,N,28,,23596,bmse001255,BMET001255
29,covalent,SING,O17,H32,no,N,29,,23596,bmse001255,BMET001255
30,covalent,SING,O18,C11,no,N,30,,23596,bmse001255,BMET001255
31,covalent,SING,O18,H33,no,N,31,,23596,bmse001255,BMET001255
32,covalent,SING,O19,C12,no,N,32,,23596,bmse001255,BMET001255
33,covalent,SING,O19,H34,no,N,33,,23596,bmse001255,BMET001255
34,covalent,SING,O20,C13,no,N,34,,23596,bmse001255,BMET001255
35,covalent,SING,O20,H35,no,N,35,,23596,bmse001255,BMET001255
36,covalent,SING,O21,C14,no,N,36,,23596,bmse001255,BMET001255
37,covalent,SING,O21,C15,no,N,37,,23596,bmse001255,BMET001255
1,covalent,SING,C1,H12,no,N,1,,23620,bmse001256,BMET001256
2,covalent,SING,C1,H13,no,N,2,,23620,bmse001256,BMET001256
3,covalent,SING,C1,H14,no,N,3,,23620,bmse001256,BMET001256
4,covalent,SING,C2,H15,no,N,4,,23620,bmse001256,BMET001256
5,covalent,SING,C2,H16,no,N,5,,23620,bmse001256,BMET001256
6,covalent,SING,C2,H17,no,N,6,,23620,bmse001256,BMET001256
7,covalent,SING,C3,H18,no,N,7,,23620,bmse001256,BMET001256
8,covalent,SING,C3,H19,no,N,8,,23620,bmse001256,BMET001256
9,covalent,SING,C3,H20,no,N,9,,23620,bmse001256,BMET001256
10,covalent,SING,C4,C5,no,N,10,,23620,bmse001256,BMET001256
11,covalent,SING,C4,H21,no,N,11,,23620,bmse001256,BMET001256
12,covalent,SING,C4,H22,no,N,12,,23620,bmse001256,BMET001256
13,covalent,SING,C5,C9,no,N,13,,23620,bmse001256,BMET001256
14,covalent,SING,C5,H23,no,N,14,,23620,bmse001256,BMET001256
15,covalent,SING,C5,H24,no,N,15,,23620,bmse001256,BMET001256
16,covalent,SING,C6,C10,no,N,16,,23620,bmse001256,BMET001256
17,covalent,SING,C6,H25,no,N,17,,23620,bmse001256,BMET001256
18,covalent,SING,C6,H26,no,N,18,,23620,bmse001256,BMET001256
19,covalent,SING,C7,C1,no,N,19,,23620,bmse001256,BMET001256
20,covalent,SING,C7,C2,no,N,20,,23620,bmse001256,BMET001256
21,covalent,SING,C8,C3,no,N,21,,23620,bmse001256,BMET001256
22,covalent,SING,C8,C4,no,N,22,,23620,bmse001256,BMET001256
23,covalent,SING,C8,C6,no,N,23,,23620,bmse001256,BMET001256
24,covalent,SING,C8,H27,no,N,24,,23620,bmse001256,BMET001256
25,covalent,DOUB,C9,C7,no,N,25,,23620,bmse001256,BMET001256
26,covalent,SING,C9,C10,no,N,26,,23620,bmse001256,BMET001256
27,carbonyl,DOUB,O11,C10,no,N,27,,23620,bmse001256,BMET001256
1,covalent,SING,C1,H23,no,N,1,,23644,bmse001257,BMET001257
2,covalent,SING,C1,H24,no,N,2,,23644,bmse001257,BMET001257
3,covalent,SING,C1,H25,no,N,3,,23644,bmse001257,BMET001257
4,covalent,AROM,C2,C3,yes,N,4,,23644,bmse001257,BMET001257
5,covalent,SING,C2,H26,no,N,5,,23644,bmse001257,BMET001257
6,covalent,SING,C3,H27,no,N,6,,23644,bmse001257,BMET001257
7,covalent,AROM,C4,C10,yes,N,7,,23644,bmse001257,BMET001257
8,covalent,SING,C4,H28,no,N,8,,23644,bmse001257,BMET001257
9,covalent,SING,C5,H29,no,N,9,,23644,bmse001257,BMET001257
10,covalent,AROM,C6,C9,yes,N,10,,23644,bmse001257,BMET001257
11,covalent,SING,C6,H30,no,N,11,,23644,bmse001257,BMET001257
12,covalent,SING,C7,H31,no,N,12,,23644,bmse001257,BMET001257
13,covalent,AROM,C8,C2,yes,N,13,,23644,bmse001257,BMET001257
14,covalent,AROM,C8,C4,yes,N,14,,23644,bmse001257,BMET001257
15,covalent,AROM,C9,C5,yes,N,15,,23644,bmse001257,BMET001257
16,covalent,AROM,C10,C13,yes,N,16,,23644,bmse001257,BMET001257
17,covalent,AROM,C11,C5,yes,N,17,,23644,bmse001257,BMET001257
18,covalent,AROM,C12,C7,yes,N,18,,23644,bmse001257,BMET001257
19,covalent,AROM,C13,C3,yes,N,19,,23644,bmse001257,BMET001257
20,covalent,AROM,C14,C7,yes,N,20,,23644,bmse001257,BMET001257
21,covalent,SING,C14,C8,no,N,21,,23644,bmse001257,BMET001257
22,covalent,AROM,C15,C6,yes,N,22,,23644,bmse001257,BMET001257
23,covalent,AROM,C16,C11,yes,N,23,,23644,bmse001257,BMET001257
24,covalent,AROM,C16,C12,yes,N,24,,23644,bmse001257,BMET001257
25,covalent,AROM,C16,C15,yes,N,25,,23644,bmse001257,BMET001257
26,covalent,SING,O17,C9,no,N,26,,23644,bmse001257,BMET001257
27,covalent,SING,O17,H32,no,N,27,,23644,bmse001257,BMET001257
28,covalent,SING,O18,C10,no,N,28,,23644,bmse001257,BMET001257
29,covalent,SING,O18,H33,no,N,29,,23644,bmse001257,BMET001257
30,covalent,SING,O19,C11,no,N,30,,23644,bmse001257,BMET001257
31,covalent,SING,O19,H34,no,N,31,,23644,bmse001257,BMET001257
32,carbonyl,DOUB,O20,C12,no,N,32,,23644,bmse001257,BMET001257
33,covalent,SING,O21,C1,no,N,33,,23644,bmse001257,BMET001257
34,covalent,SING,O21,C13,no,N,34,,23644,bmse001257,BMET001257
35,covalent,AROM,O22,C14,yes,N,35,,23644,bmse001257,BMET001257
36,covalent,AROM,O22,C15,yes,N,36,,23644,bmse001257,BMET001257
1,covalent,AROM,C1,C3,yes,N,1,,23668,bmse001258,BMET001258
2,covalent,SING,C1,H31,no,N,2,,23668,bmse001258,BMET001258
3,covalent,AROM,C2,C1,yes,N,3,,23668,bmse001258,BMET001258
4,covalent,SING,C2,H32,no,N,4,,23668,bmse001258,BMET001258
5,covalent,SING,C3,H33,no,N,5,,23668,bmse001258,BMET001258
6,covalent,AROM,C4,C8,yes,N,6,,23668,bmse001258,BMET001258
7,covalent,SING,C4,H34,no,N,7,,23668,bmse001258,BMET001258
8,covalent,SING,C5,H35,no,N,8,,23668,bmse001258,BMET001258
9,covalent,SING,C6,H36,no,N,9,,23668,bmse001258,BMET001258
10,covalent,SING,C6,H37,no,N,10,,23668,bmse001258,BMET001258
11,covalent,SING,C7,H38,no,N,11,,23668,bmse001258,BMET001258
12,covalent,SING,C7,H39,no,N,12,,23668,bmse001258,BMET001258
13,covalent,AROM,C8,C5,yes,N,13,,23668,bmse001258,BMET001258
14,covalent,SING,C8,C6,no,N,14,,23668,bmse001258,BMET001258
15,covalent,AROM,C9,C2,yes,N,15,,23668,bmse001258,BMET001258
16,covalent,AROM,C9,C15,yes,N,16,,23668,bmse001258,BMET001258
17,covalent,AROM,C10,C4,yes,N,17,,23668,bmse001258,BMET001258
18,covalent,AROM,C10,C16,yes,N,18,,23668,bmse001258,BMET001258
19,covalent,AROM,C11,C3,yes,N,19,,23668,bmse001258,BMET001258
20,covalent,AROM,C12,C5,yes,N,20,,23668,bmse001258,BMET001258
21,covalent,SING,C13,C7,no,N,21,,23668,bmse001258,BMET001258
22,covalent,SING,C13,H40,no,N,22,,23668,bmse001258,BMET001258
23,covalent,SING,C14,C9,no,N,23,,23668,bmse001258,BMET001258
24,covalent,SING,C14,C10,no,N,24,,23668,bmse001258,BMET001258
25,covalent,SING,C14,H41,no,N,25,,23668,bmse001258,BMET001258
26,covalent,AROM,C15,C11,yes,N,26,,23668,bmse001258,BMET001258
27,covalent,SING,C15,C18,no,N,27,,23668,bmse001258,BMET001258
28,covalent,AROM,C16,C12,yes,N,28,,23668,bmse001258,BMET001258
29,covalent,SING,C16,C18,no,N,29,,23668,bmse001258,BMET001258
30,covalent,SING,C17,C13,no,N,30,,23668,bmse001258,BMET001258
31,covalent,SING,C17,H42,no,N,31,,23668,bmse001258,BMET001258
32,covalent,SING,C19,C17,no,N,32,,23668,bmse001258,BMET001258
33,covalent,SING,C19,H43,no,N,33,,23668,bmse001258,BMET001258
34,covalent,SING,C20,C19,no,N,34,,23668,bmse001258,BMET001258
35,covalent,SING,C20,H44,no,N,35,,23668,bmse001258,BMET001258
36,covalent,SING,C21,C14,no,N,36,,23668,bmse001258,BMET001258
37,covalent,SING,C21,C20,no,N,37,,23668,bmse001258,BMET001258
38,covalent,SING,C21,H45,no,N,38,,23668,bmse001258,BMET001258
39,covalent,SING,O22,C6,no,N,39,,23668,bmse001258,BMET001258
40,covalent,SING,O22,H46,no,N,40,,23668,bmse001258,BMET001258
41,covalent,SING,O23,C7,no,N,41,,23668,bmse001258,BMET001258
42,covalent,SING,O23,H47,no,N,42,,23668,bmse001258,BMET001258
43,covalent,SING,O24,C11,no,N,43,,23668,bmse001258,BMET001258
44,covalent,SING,O24,H48,no,N,44,,23668,bmse001258,BMET001258
45,covalent,SING,O25,C12,no,N,45,,23668,bmse001258,BMET001258
46,covalent,SING,O25,H49,no,N,46,,23668,bmse001258,BMET001258
47,covalent,SING,O26,C17,no,N,47,,23668,bmse001258,BMET001258
48,covalent,SING,O26,H50,no,N,48,,23668,bmse001258,BMET001258
49,carbonyl,DOUB,O27,C18,no,N,49,,23668,bmse001258,BMET001258
50,covalent,SING,O28,C19,no,N,50,,23668,bmse001258,BMET001258
51,covalent,SING,O28,H51,no,N,51,,23668,bmse001258,BMET001258
52,covalent,SING,O29,C20,no,N,52,,23668,bmse001258,BMET001258
53,covalent,SING,O29,H52,no,N,53,,23668,bmse001258,BMET001258
54,covalent,SING,O30,C13,no,N,54,,23668,bmse001258,BMET001258
55,covalent,SING,O30,C21,no,N,55,,23668,bmse001258,BMET001258
1,covalent,SING,C1,H20,no,N,1,,23692,bmse001259,BMET001259
2,covalent,SING,C1,H21,no,N,2,,23692,bmse001259,BMET001259
3,covalent,SING,C1,H22,no,N,3,,23692,bmse001259,BMET001259
4,covalent,SING,C2,H23,no,N,4,,23692,bmse001259,BMET001259
5,covalent,AROM,C3,C2,yes,N,5,,23692,bmse001259,BMET001259
6,covalent,SING,C3,H24,no,N,6,,23692,bmse001259,BMET001259
7,covalent,AROM,C4,C2,yes,N,7,,23692,bmse001259,BMET001259
8,covalent,SING,C4,H25,no,N,8,,23692,bmse001259,BMET001259
9,covalent,AROM,C5,C7,yes,N,9,,23692,bmse001259,BMET001259
10,covalent,SING,C5,H26,no,N,10,,23692,bmse001259,BMET001259
11,covalent,SING,C6,H27,no,N,11,,23692,bmse001259,BMET001259
12,covalent,SING,C7,C1,no,N,12,,23692,bmse001259,BMET001259
13,covalent,AROM,C7,C6,yes,N,13,,23692,bmse001259,BMET001259
14,covalent,AROM,C8,C3,yes,N,14,,23692,bmse001259,BMET001259
15,covalent,SING,C8,C14,no,N,15,,23692,bmse001259,BMET001259
16,covalent,AROM,C9,C5,yes,N,16,,23692,bmse001259,BMET001259
17,covalent,AROM,C9,C13,yes,N,17,,23692,bmse001259,BMET001259
18,covalent,SING,C9,C14,no,N,18,,23692,bmse001259,BMET001259
19,covalent,AROM,C10,C4,yes,N,19,,23692,bmse001259,BMET001259
20,covalent,AROM,C11,C6,yes,N,20,,23692,bmse001259,BMET001259
21,covalent,AROM,C12,C8,yes,N,21,,23692,bmse001259,BMET001259
22,covalent,AROM,C12,C10,yes,N,22,,23692,bmse001259,BMET001259
23,covalent,SING,C12,C15,no,N,23,,23692,bmse001259,BMET001259
24,covalent,AROM,C13,C11,yes,N,24,,23692,bmse001259,BMET001259
25,covalent,SING,C13,C15,no,N,25,,23692,bmse001259,BMET001259
26,covalent,SING,O16,C10,no,N,26,,23692,bmse001259,BMET001259
27,covalent,SING,O16,H28,no,N,27,,23692,bmse001259,BMET001259
28,covalent,SING,O17,C11,no,N,28,,23692,bmse001259,BMET001259
29,covalent,SING,O17,H29,no,N,29,,23692,bmse001259,BMET001259
30,carbonyl,DOUB,O18,C14,no,N,30,,23692,bmse001259,BMET001259
31,carbonyl,DOUB,O19,C15,no,N,31,,23692,bmse001259,BMET001259
1,covalent,SING,C1,H19,no,N,1,,23716,bmse001260,BMET001260
2,covalent,AROM,C2,C1,yes,N,2,,23716,bmse001260,BMET001260
3,covalent,SING,C2,H20,no,N,3,,23716,bmse001260,BMET001260
4,covalent,AROM,C3,C1,yes,N,4,,23716,bmse001260,BMET001260
5,covalent,SING,C3,H21,no,N,5,,23716,bmse001260,BMET001260
6,covalent,AROM,C4,C2,yes,N,6,,23716,bmse001260,BMET001260
7,covalent,SING,C4,H22,no,N,7,,23716,bmse001260,BMET001260
8,covalent,SING,C5,H23,no,N,8,,23716,bmse001260,BMET001260
9,covalent,AROM,C6,C5,yes,N,9,,23716,bmse001260,BMET001260
10,covalent,SING,C6,H24,no,N,10,,23716,bmse001260,BMET001260
11,covalent,AROM,C7,C9,yes,N,11,,23716,bmse001260,BMET001260
12,covalent,SING,C7,H25,no,N,12,,23716,bmse001260,BMET001260
13,covalent,SING,C8,H26,no,N,13,,23716,bmse001260,BMET001260
14,covalent,SING,C8,H27,no,N,14,,23716,bmse001260,BMET001260
15,covalent,AROM,C9,C5,yes,N,15,,23716,bmse001260,BMET001260
16,covalent,SING,C9,C8,no,N,16,,23716,bmse001260,BMET001260
17,covalent,AROM,C10,C3,yes,N,17,,23716,bmse001260,BMET001260
18,covalent,SING,C10,C14,no,N,18,,23716,bmse001260,BMET001260
19,covalent,AROM,C11,C4,yes,N,19,,23716,bmse001260,BMET001260
20,covalent,AROM,C11,C10,yes,N,20,,23716,bmse001260,BMET001260
21,covalent,SING,C11,C15,no,N,21,,23716,bmse001260,BMET001260
22,covalent,AROM,C12,C6,yes,N,22,,23716,bmse001260,BMET001260
23,covalent,SING,C12,C14,no,N,23,,23716,bmse001260,BMET001260
24,covalent,AROM,C13,C7,yes,N,24,,23716,bmse001260,BMET001260
25,covalent,AROM,C13,C12,yes,N,25,,23716,bmse001260,BMET001260
26,covalent,SING,C13,C15,no,N,26,,23716,bmse001260,BMET001260
27,covalent,SING,O16,C8,no,N,27,,23716,bmse001260,BMET001260
28,covalent,SING,O16,H28,no,N,28,,23716,bmse001260,BMET001260
29,carbonyl,DOUB,O17,C14,no,N,29,,23716,bmse001260,BMET001260
30,carbonyl,DOUB,O18,C15,no,N,30,,23716,bmse001260,BMET001260
1,covalent,AROM,C1,C5,yes,N,1,,23740,bmse001261,BMET001261
2,covalent,SING,C1,H35,no,N,2,,23740,bmse001261,BMET001261
3,covalent,AROM,C2,C6,yes,N,3,,23740,bmse001261,BMET001261
4,covalent,SING,C2,H36,no,N,4,,23740,bmse001261,BMET001261
5,covalent,SING,C3,H37,no,N,5,,23740,bmse001261,BMET001261
6,covalent,SING,C4,H38,no,N,6,,23740,bmse001261,BMET001261
7,covalent,AROM,C5,C13,yes,N,7,,23740,bmse001261,BMET001261
8,covalent,SING,C5,H39,no,N,8,,23740,bmse001261,BMET001261
9,covalent,AROM,C6,C14,yes,N,9,,23740,bmse001261,BMET001261
10,covalent,SING,C6,H40,no,N,10,,23740,bmse001261,BMET001261
11,covalent,DOUB,C7,C3,no,E,11,,23740,bmse001261,BMET001261
12,covalent,SING,C7,H41,no,N,12,,23740,bmse001261,BMET001261
13,covalent,DOUB,C8,C4,no,E,13,,23740,bmse001261,BMET001261
14,covalent,SING,C8,H42,no,N,14,,23740,bmse001261,BMET001261
15,covalent,AROM,C9,C15,yes,N,15,,23740,bmse001261,BMET001261
16,covalent,SING,C9,H43,no,N,16,,23740,bmse001261,BMET001261
17,covalent,AROM,C10,C16,yes,N,17,,23740,bmse001261,BMET001261
18,covalent,SING,C10,H44,no,N,18,,23740,bmse001261,BMET001261
19,covalent,AROM,C11,C1,yes,N,19,,23740,bmse001261,BMET001261
20,covalent,SING,C11,C3,no,N,20,,23740,bmse001261,BMET001261
21,covalent,AROM,C11,C9,yes,N,21,,23740,bmse001261,BMET001261
22,covalent,AROM,C12,C2,yes,N,22,,23740,bmse001261,BMET001261
23,covalent,SING,C12,C4,no,N,23,,23740,bmse001261,BMET001261
24,covalent,AROM,C12,C10,yes,N,24,,23740,bmse001261,BMET001261
25,covalent,AROM,C15,C13,yes,N,25,,23740,bmse001261,BMET001261
26,covalent,AROM,C16,C14,yes,N,26,,23740,bmse001261,BMET001261
27,covalent,SING,C17,C7,no,N,27,,23740,bmse001261,BMET001261
28,covalent,SING,C18,C8,no,N,28,,23740,bmse001261,BMET001261
29,covalent,SING,C19,C20,no,N,29,,23740,bmse001261,BMET001261
30,covalent,SING,C19,C21,no,N,30,,23740,bmse001261,BMET001261
31,covalent,SING,C19,H45,no,N,31,,23740,bmse001261,BMET001261
32,covalent,SING,C20,C22,no,N,32,,23740,bmse001261,BMET001261
33,covalent,SING,C20,H46,no,N,33,,23740,bmse001261,BMET001261
34,covalent,SING,O23,C13,no,N,34,,23740,bmse001261,BMET001261
35,covalent,SING,O23,H47,no,N,35,,23740,bmse001261,BMET001261
36,covalent,SING,O24,C14,no,N,36,,23740,bmse001261,BMET001261
37,covalent,SING,O24,H48,no,N,37,,23740,bmse001261,BMET001261
38,covalent,SING,O25,C15,no,N,38,,23740,bmse001261,BMET001261
39,covalent,SING,O25,H49,no,N,39,,23740,bmse001261,BMET001261
40,covalent,SING,O26,C16,no,N,40,,23740,bmse001261,BMET001261
41,covalent,SING,O26,H50,no,N,41,,23740,bmse001261,BMET001261
42,carbonyl,DOUB,O27,C17,no,N,42,,23740,bmse001261,BMET001261
43,carbonyl,DOUB,O28,C18,no,N,43,,23740,bmse001261,BMET001261
44,ester,SING,O29,C21,no,N,44,,23740,bmse001261,BMET001261
45,covalent,SING,O29,H51,no,N,45,,23740,bmse001261,BMET001261
46,carbonyl,DOUB,O30,C21,no,N,46,,23740,bmse001261,BMET001261
47,ester,SING,O31,C22,no,N,47,,23740,bmse001261,BMET001261
48,covalent,SING,O31,H52,no,N,48,,23740,bmse001261,BMET001261
49,carbonyl,DOUB,O32,C22,no,N,49,,23740,bmse001261,BMET001261
50,ester,SING,O33,C17,no,N,50,,23740,bmse001261,BMET001261
51,covalent,SING,O33,C19,no,N,51,,23740,bmse001261,BMET001261
52,ester,SING,O34,C18,no,N,52,,23740,bmse001261,BMET001261
53,covalent,SING,O34,C20,no,N,53,,23740,bmse001261,BMET001261
1,covalent,SING,C1,H12,no,N,1,,23764,bmse001262,BMET001262
2,covalent,SING,C1,H13,no,N,2,,23764,bmse001262,BMET001262
3,covalent,SING,C2,H14,no,N,3,,23764,bmse001262,BMET001262
4,covalent,SING,C2,H15,no,N,4,,23764,bmse001262,BMET001262
5,covalent,SING,C2,H16,no,N,5,,23764,bmse001262,BMET001262
6,covalent,DOUB,C3,C1,no,N,6,,23764,bmse001262,BMET001262
7,covalent,SING,C3,H17,no,N,7,,23764,bmse001262,BMET001262
8,covalent,SING,C4,C3,no,N,8,,23764,bmse001262,BMET001262
9,covalent,SING,C4,H18,no,N,9,,23764,bmse001262,BMET001262
10,covalent,SING,C4,H19,no,N,10,,23764,bmse001262,BMET001262
11,covalent,AROM,C5,C7,yes,N,11,,23764,bmse001262,BMET001262
12,covalent,SING,C5,H20,no,N,12,,23764,bmse001262,BMET001262
13,covalent,AROM,C6,C8,yes,N,13,,23764,bmse001262,BMET001262
14,covalent,SING,C6,H21,no,N,14,,23764,bmse001262,BMET001262
15,covalent,SING,C7,H22,no,N,15,,23764,bmse001262,BMET001262
16,covalent,SING,C8,H23,no,N,16,,23764,bmse001262,BMET001262
17,covalent,SING,C9,C4,no,N,17,,23764,bmse001262,BMET001262
18,covalent,AROM,C9,C5,yes,N,18,,23764,bmse001262,BMET001262
19,covalent,AROM,C9,C6,yes,N,19,,23764,bmse001262,BMET001262
20,covalent,AROM,C10,C7,yes,N,20,,23764,bmse001262,BMET001262
21,covalent,AROM,C10,C8,yes,N,21,,23764,bmse001262,BMET001262
22,covalent,SING,O11,C2,no,N,22,,23764,bmse001262,BMET001262
23,covalent,SING,O11,C10,no,N,23,,23764,bmse001262,BMET001262
1,covalent,SING,C1,H14,no,N,1,,23788,bmse001263,BMET001263
2,covalent,SING,C1,H15,no,N,2,,23788,bmse001263,BMET001263
3,covalent,SING,C2,H16,no,N,3,,23788,bmse001263,BMET001263
4,covalent,SING,C2,H17,no,N,4,,23788,bmse001263,BMET001263
5,covalent,SING,C2,H18,no,N,5,,23788,bmse001263,BMET001263
6,covalent,SING,C3,H19,no,N,6,,23788,bmse001263,BMET001263
7,covalent,SING,C3,H20,no,N,7,,23788,bmse001263,BMET001263
8,covalent,SING,C3,H21,no,N,8,,23788,bmse001263,BMET001263
9,covalent,DOUB,C4,C1,no,N,9,,23788,bmse001263,BMET001263
10,covalent,SING,C4,H22,no,N,10,,23788,bmse001263,BMET001263
11,covalent,SING,C5,C4,no,N,11,,23788,bmse001263,BMET001263
12,covalent,SING,C5,H23,no,N,12,,23788,bmse001263,BMET001263
13,covalent,SING,C5,H24,no,N,13,,23788,bmse001263,BMET001263
14,covalent,AROM,C6,C7,yes,N,14,,23788,bmse001263,BMET001263
15,covalent,SING,C6,H25,no,N,15,,23788,bmse001263,BMET001263
16,covalent,SING,C7,H26,no,N,16,,23788,bmse001263,BMET001263
17,covalent,AROM,C8,C11,yes,N,17,,23788,bmse001263,BMET001263
18,covalent,SING,C8,H27,no,N,18,,23788,bmse001263,BMET001263
19,covalent,SING,C9,C5,no,N,19,,23788,bmse001263,BMET001263
20,covalent,AROM,C9,C6,yes,N,20,,23788,bmse001263,BMET001263
21,covalent,AROM,C9,C8,yes,N,21,,23788,bmse001263,BMET001263
22,covalent,AROM,C10,C7,yes,N,22,,23788,bmse001263,BMET001263
23,covalent,AROM,C11,C10,yes,N,23,,23788,bmse001263,BMET001263
24,covalent,SING,O12,C2,no,N,24,,23788,bmse001263,BMET001263
25,covalent,SING,O12,C10,no,N,25,,23788,bmse001263,BMET001263
26,covalent,SING,O13,C3,no,N,26,,23788,bmse001263,BMET001263
27,covalent,SING,O13,C11,no,N,27,,23788,bmse001263,BMET001263
1,covalent,SING,C1,H15,no,N,1,,23812,bmse001264,BMET001264
2,covalent,SING,C1,H16,no,N,2,,23812,bmse001264,BMET001264
3,covalent,SING,C2,H17,no,N,3,,23812,bmse001264,BMET001264
4,covalent,SING,C2,H18,no,N,4,,23812,bmse001264,BMET001264
5,covalent,SING,C2,H19,no,N,5,,23812,bmse001264,BMET001264
6,covalent,DOUB,C3,C1,no,N,6,,23812,bmse001264,BMET001264
7,covalent,SING,C3,H20,no,N,7,,23812,bmse001264,BMET001264
8,covalent,SING,C4,C3,no,N,8,,23812,bmse001264,BMET001264
9,covalent,SING,C4,H21,no,N,9,,23812,bmse001264,BMET001264
10,covalent,SING,C4,H22,no,N,10,,23812,bmse001264,BMET001264
11,covalent,SING,C5,H23,no,N,11,,23812,bmse001264,BMET001264
12,covalent,SING,C6,H24,no,N,12,,23812,bmse001264,BMET001264
13,covalent,SING,C7,H25,no,N,13,,23812,bmse001264,BMET001264
14,covalent,SING,C7,H26,no,N,14,,23812,bmse001264,BMET001264
15,covalent,SING,C8,C4,no,N,15,,23812,bmse001264,BMET001264
16,covalent,AROM,C8,C5,yes,N,16,,23812,bmse001264,BMET001264
17,covalent,AROM,C8,C6,yes,N,17,,23812,bmse001264,BMET001264
18,covalent,AROM,C9,C5,yes,N,18,,23812,bmse001264,BMET001264
19,covalent,AROM,C10,C6,yes,N,19,,23812,bmse001264,BMET001264
20,covalent,AROM,C11,C9,yes,N,20,,23812,bmse001264,BMET001264
21,covalent,AROM,C11,C10,yes,N,21,,23812,bmse001264,BMET001264
22,covalent,SING,O12,C2,no,N,22,,23812,bmse001264,BMET001264
23,covalent,SING,O12,C9,no,N,23,,23812,bmse001264,BMET001264
24,covalent,SING,O13,C7,no,N,24,,23812,bmse001264,BMET001264
25,covalent,SING,O13,C10,no,N,25,,23812,bmse001264,BMET001264
26,covalent,SING,O14,C7,no,N,26,,23812,bmse001264,BMET001264
27,covalent,SING,O14,C11,no,N,27,,23812,bmse001264,BMET001264
1,covalent,SING,C1,H13,no,N,1,,23836,bmse001265,BMET001265
2,covalent,SING,C1,H14,no,N,2,,23836,bmse001265,BMET001265
3,covalent,DOUB,C2,C1,no,N,3,,23836,bmse001265,BMET001265
4,covalent,SING,C2,H15,no,N,4,,23836,bmse001265,BMET001265
5,covalent,SING,C3,C2,no,N,5,,23836,bmse001265,BMET001265
6,covalent,SING,C3,H16,no,N,6,,23836,bmse001265,BMET001265
7,covalent,SING,C3,H17,no,N,7,,23836,bmse001265,BMET001265
8,covalent,AROM,C4,C5,yes,N,8,,23836,bmse001265,BMET001265
9,covalent,SING,C4,H18,no,N,9,,23836,bmse001265,BMET001265
10,covalent,SING,C5,H19,no,N,10,,23836,bmse001265,BMET001265
11,covalent,SING,C6,H20,no,N,11,,23836,bmse001265,BMET001265
12,covalent,SING,C7,H21,no,N,12,,23836,bmse001265,BMET001265
13,covalent,SING,C7,H22,no,N,13,,23836,bmse001265,BMET001265
14,covalent,SING,C8,C3,no,N,14,,23836,bmse001265,BMET001265
15,covalent,AROM,C8,C4,yes,N,15,,23836,bmse001265,BMET001265
16,covalent,AROM,C8,C6,yes,N,16,,23836,bmse001265,BMET001265
17,covalent,AROM,C9,C5,yes,N,17,,23836,bmse001265,BMET001265
18,covalent,AROM,C10,C6,yes,N,18,,23836,bmse001265,BMET001265
19,covalent,AROM,C10,C9,yes,N,19,,23836,bmse001265,BMET001265
20,covalent,SING,O11,C7,no,N,20,,23836,bmse001265,BMET001265
21,covalent,SING,O11,C9,no,N,21,,23836,bmse001265,BMET001265
22,covalent,SING,O12,C7,no,N,22,,23836,bmse001265,BMET001265
23,covalent,SING,O12,C10,no,N,23,,23836,bmse001265,BMET001265
1,covalent,SING,C1,H39,no,N,1,,23860,bmse001266,BMET001266
2,covalent,SING,C1,H40,no,N,2,,23860,bmse001266,BMET001266
3,covalent,SING,C1,H41,no,N,3,,23860,bmse001266,BMET001266
4,covalent,SING,C2,H42,no,N,4,,23860,bmse001266,BMET001266
5,covalent,SING,C2,H43,no,N,5,,23860,bmse001266,BMET001266
6,covalent,SING,C2,H44,no,N,6,,23860,bmse001266,BMET001266
7,covalent,SING,C3,H45,no,N,7,,23860,bmse001266,BMET001266
8,covalent,SING,C3,H46,no,N,8,,23860,bmse001266,BMET001266
9,covalent,SING,C3,H47,no,N,9,,23860,bmse001266,BMET001266
10,covalent,SING,C4,H48,no,N,10,,23860,bmse001266,BMET001266
11,covalent,SING,C4,H49,no,N,11,,23860,bmse001266,BMET001266
12,covalent,SING,C4,H50,no,N,12,,23860,bmse001266,BMET001266
13,covalent,SING,C5,H51,no,N,13,,23860,bmse001266,BMET001266
14,covalent,AROM,C6,C5,yes,N,14,,23860,bmse001266,BMET001266
15,covalent,SING,C6,H52,no,N,15,,23860,bmse001266,BMET001266
16,covalent,AROM,C7,C5,yes,N,16,,23860,bmse001266,BMET001266
17,covalent,SING,C7,H53,no,N,17,,23860,bmse001266,BMET001266
18,covalent,AROM,C8,C6,yes,N,18,,23860,bmse001266,BMET001266
19,covalent,SING,C8,H54,no,N,19,,23860,bmse001266,BMET001266
20,covalent,AROM,C9,C7,yes,N,20,,23860,bmse001266,BMET001266
21,covalent,SING,C9,H55,no,N,21,,23860,bmse001266,BMET001266
22,covalent,SING,C10,C17,no,N,22,,23860,bmse001266,BMET001266
23,covalent,SING,C10,H56,no,N,23,,23860,bmse001266,BMET001266
24,covalent,DOUB,C11,C10,no,E,24,,23860,bmse001266,BMET001266
25,covalent,SING,C11,H57,no,N,25,,23860,bmse001266,BMET001266
26,covalent,SING,C12,H58,no,N,26,,23860,bmse001266,BMET001266
27,covalent,DOUB,C13,C12,no,N,27,,23860,bmse001266,BMET001266
28,covalent,SING,C13,H59,no,N,28,,23860,bmse001266,BMET001266
29,covalent,SING,C14,C19,no,N,29,,23860,bmse001266,BMET001266
30,covalent,SING,C14,H60,no,N,30,,23860,bmse001266,BMET001266
31,covalent,SING,C14,H61,no,N,31,,23860,bmse001266,BMET001266
32,covalent,SING,C15,C1,no,N,32,,23860,bmse001266,BMET001266
33,covalent,AROM,C15,C25,yes,N,33,,23860,bmse001266,BMET001266
34,covalent,SING,C16,C2,no,N,34,,23860,bmse001266,BMET001266
35,covalent,AROM,C17,C8,yes,N,35,,23860,bmse001266,BMET001266
36,covalent,AROM,C17,C9,yes,N,36,,23860,bmse001266,BMET001266
37,covalent,SING,C18,C12,no,N,37,,23860,bmse001266,BMET001266
38,covalent,AROM,C18,C26,yes,N,38,,23860,bmse001266,BMET001266
39,covalent,AROM,C19,C24,yes,N,39,,23860,bmse001266,BMET001266
40,covalent,AROM,C19,C27,yes,N,40,,23860,bmse001266,BMET001266
41,covalent,SING,C20,C14,no,N,41,,23860,bmse001266,BMET001266
42,covalent,AROM,C20,C26,yes,N,42,,23860,bmse001266,BMET001266
43,covalent,AROM,C20,C28,yes,N,43,,23860,bmse001266,BMET001266
44,covalent,SING,C21,C11,no,N,44,,23860,bmse001266,BMET001266
45,covalent,SING,C22,C16,no,N,45,,23860,bmse001266,BMET001266
46,covalent,AROM,C22,C25,yes,N,46,,23860,bmse001266,BMET001266
47,covalent,SING,C23,C21,no,N,47,,23860,bmse001266,BMET001266
48,covalent,AROM,C23,C28,yes,N,48,,23860,bmse001266,BMET001266
49,covalent,AROM,C24,C15,yes,N,49,,23860,bmse001266,BMET001266
50,covalent,AROM,C27,C22,yes,N,50,,23860,bmse001266,BMET001266
51,covalent,AROM,C29,C18,yes,N,51,,23860,bmse001266,BMET001266
52,covalent,AROM,C29,C23,yes,N,52,,23860,bmse001266,BMET001266
53,covalent,SING,C30,C3,no,N,53,,23860,bmse001266,BMET001266
54,covalent,SING,C30,C4,no,N,54,,23860,bmse001266,BMET001266
55,covalent,SING,C30,C13,no,N,55,,23860,bmse001266,BMET001266
56,carbonyl,DOUB,O31,C16,no,N,56,,23860,bmse001266,BMET001266
57,carbonyl,DOUB,O32,C21,no,N,57,,23860,bmse001266,BMET001266
58,covalent,SING,O33,C24,no,N,58,,23860,bmse001266,BMET001266
59,covalent,SING,O33,H62,no,N,59,,23860,bmse001266,BMET001266
60,covalent,SING,O34,C25,no,N,60,,23860,bmse001266,BMET001266
61,covalent,SING,O34,H63,no,N,61,,23860,bmse001266,BMET001266
62,covalent,SING,O35,C26,no,N,62,,23860,bmse001266,BMET001266
63,covalent,SING,O35,H64,no,N,63,,23860,bmse001266,BMET001266
64,covalent,SING,O36,C27,no,N,64,,23860,bmse001266,BMET001266
65,covalent,SING,O36,H65,no,N,65,,23860,bmse001266,BMET001266
66,covalent,SING,O37,C28,no,N,66,,23860,bmse001266,BMET001266
67,covalent,SING,O37,H66,no,N,67,,23860,bmse001266,BMET001266
68,covalent,SING,O38,C29,no,N,68,,23860,bmse001266,BMET001266
69,covalent,SING,O38,C30,no,N,69,,23860,bmse001266,BMET001266
1,covalent,SING,C1,H11,no,N,1,,23884,bmse001267,BMET001267
2,covalent,AROM,C2,C1,yes,N,2,,23884,bmse001267,BMET001267
3,covalent,SING,C2,H12,no,N,3,,23884,bmse001267,BMET001267
4,covalent,AROM,C3,C5,yes,N,4,,23884,bmse001267,BMET001267
5,covalent,SING,C3,H13,no,N,5,,23884,bmse001267,BMET001267
6,covalent,SING,C4,H14,no,N,6,,23884,bmse001267,BMET001267
7,covalent,SING,C4,H15,no,N,7,,23884,bmse001267,BMET001267
8,covalent,AROM,C5,C1,yes,N,8,,23884,bmse001267,BMET001267
9,covalent,AROM,C6,C2,yes,N,9,,23884,bmse001267,BMET001267
10,covalent,AROM,C7,C3,yes,N,10,,23884,bmse001267,BMET001267
11,covalent,AROM,C7,C6,yes,N,11,,23884,bmse001267,BMET001267
12,covalent,SING,O8,C5,no,N,12,,23884,bmse001267,BMET001267
13,covalent,SING,O8,H16,no,N,13,,23884,bmse001267,BMET001267
14,covalent,SING,O9,C4,no,N,14,,23884,bmse001267,BMET001267
15,covalent,SING,O9,C6,no,N,15,,23884,bmse001267,BMET001267
16,covalent,SING,O10,C4,no,N,16,,23884,bmse001267,BMET001267
17,covalent,SING,O10,C7,no,N,17,,23884,bmse001267,BMET001267
1,covalent,SING,C1,H11,no,N,1,,23908,bmse001268,BMET001268
2,covalent,SING,C1,H12,no,N,2,,23908,bmse001268,BMET001268
3,covalent,SING,C1,H13,no,N,3,,23908,bmse001268,BMET001268
4,covalent,SING,C2,H14,no,N,4,,23908,bmse001268,BMET001268
5,covalent,SING,C2,H15,no,N,5,,23908,bmse001268,BMET001268
6,covalent,SING,C2,H16,no,N,6,,23908,bmse001268,BMET001268
7,covalent,SING,C3,H17,no,N,7,,23908,bmse001268,BMET001268
8,covalent,SING,C3,H18,no,N,8,,23908,bmse001268,BMET001268
9,covalent,SING,C3,H19,no,N,9,,23908,bmse001268,BMET001268
10,covalent,SING,C4,H20,no,N,10,,23908,bmse001268,BMET001268
11,covalent,SING,C5,C4,no,N,11,,23908,bmse001268,BMET001268
12,covalent,SING,C5,H21,no,N,12,,23908,bmse001268,BMET001268
13,covalent,SING,C5,H22,no,N,13,,23908,bmse001268,BMET001268
14,covalent,SING,C6,C7,no,N,14,,23908,bmse001268,BMET001268
15,covalent,SING,C6,H23,no,N,15,,23908,bmse001268,BMET001268
16,covalent,SING,C6,H24,no,N,16,,23908,bmse001268,BMET001268
17,covalent,SING,C7,C1,no,N,17,,23908,bmse001268,BMET001268
18,covalent,DOUB,C7,C4,no,N,18,,23908,bmse001268,BMET001268
19,covalent,SING,C8,C5,no,N,19,,23908,bmse001268,BMET001268
20,covalent,SING,C8,H25,no,N,20,,23908,bmse001268,BMET001268
21,covalent,SING,C9,C6,no,N,21,,23908,bmse001268,BMET001268
22,covalent,SING,C9,C8,no,N,22,,23908,bmse001268,BMET001268
23,covalent,SING,C9,H26,no,N,23,,23908,bmse001268,BMET001268
24,covalent,SING,C10,C2,no,N,24,,23908,bmse001268,BMET001268
25,covalent,SING,C10,C3,no,N,25,,23908,bmse001268,BMET001268
26,covalent,SING,C10,C8,no,N,26,,23908,bmse001268,BMET001268
27,covalent,SING,C10,C9,no,N,27,,23908,bmse001268,BMET001268
1,covalent,SING,C1,H15,no,N,1,,23932,bmse001269,BMET001269
2,covalent,SING,C1,H16,no,N,2,,23932,bmse001269,BMET001269
3,covalent,SING,C1,H17,no,N,3,,23932,bmse001269,BMET001269
4,covalent,SING,C2,H18,no,N,4,,23932,bmse001269,BMET001269
5,covalent,SING,C2,H19,no,N,5,,23932,bmse001269,BMET001269
6,covalent,SING,C2,H20,no,N,6,,23932,bmse001269,BMET001269
7,covalent,SING,C3,H21,no,N,7,,23932,bmse001269,BMET001269
8,covalent,SING,C3,H22,no,N,8,,23932,bmse001269,BMET001269
9,covalent,SING,C3,H23,no,N,9,,23932,bmse001269,BMET001269
10,covalent,SING,C4,H24,no,N,10,,23932,bmse001269,BMET001269
11,covalent,SING,C4,H25,no,N,11,,23932,bmse001269,BMET001269
12,covalent,SING,C4,H26,no,N,12,,23932,bmse001269,BMET001269
13,covalent,SING,C5,C6,no,N,13,,23932,bmse001269,BMET001269
14,covalent,SING,C5,H27,no,N,14,,23932,bmse001269,BMET001269
15,covalent,SING,C5,H28,no,N,15,,23932,bmse001269,BMET001269
16,covalent,SING,C6,C10,no,N,16,,23932,bmse001269,BMET001269
17,covalent,SING,C6,H29,no,N,17,,23932,bmse001269,BMET001269
18,covalent,SING,C6,H30,no,N,18,,23932,bmse001269,BMET001269
19,covalent,SING,C7,C11,no,N,19,,23932,bmse001269,BMET001269
20,covalent,SING,C7,H31,no,N,20,,23932,bmse001269,BMET001269
21,covalent,DOUB,C8,C7,no,E,21,,23932,bmse001269,BMET001269
22,covalent,SING,C8,H32,no,N,22,,23932,bmse001269,BMET001269
23,covalent,SING,C9,C5,no,N,23,,23932,bmse001269,BMET001269
24,covalent,SING,C9,H33,no,N,24,,23932,bmse001269,BMET001269
25,covalent,SING,C9,H34,no,N,25,,23932,bmse001269,BMET001269
26,covalent,SING,C10,C1,no,N,26,,23932,bmse001269,BMET001269
27,covalent,SING,C11,C2,no,N,27,,23932,bmse001269,BMET001269
28,covalent,SING,C12,C8,no,N,28,,23932,bmse001269,BMET001269
29,covalent,DOUB,C12,C10,no,N,29,,23932,bmse001269,BMET001269
30,covalent,SING,C13,C3,no,N,30,,23932,bmse001269,BMET001269
31,covalent,SING,C13,C4,no,N,31,,23932,bmse001269,BMET001269
32,covalent,SING,C13,C9,no,N,32,,23932,bmse001269,BMET001269
33,covalent,SING,C13,C12,no,N,33,,23932,bmse001269,BMET001269
34,carbonyl,DOUB,O14,C11,no,N,34,,23932,bmse001269,BMET001269
1,covalent,SING,C1,H27,no,N,1,,23956,bmse001270,BMET001270
2,covalent,SING,C1,H28,no,N,2,,23956,bmse001270,BMET001270
3,covalent,SING,C1,H29,no,N,3,,23956,bmse001270,BMET001270
4,covalent,SING,C2,H30,no,N,4,,23956,bmse001270,BMET001270
5,covalent,SING,C2,H31,no,N,5,,23956,bmse001270,BMET001270
6,covalent,SING,C2,H32,no,N,6,,23956,bmse001270,BMET001270
7,covalent,SING,C3,C1,no,N,7,,23956,bmse001270,BMET001270
8,covalent,SING,C3,H33,no,N,8,,23956,bmse001270,BMET001270
9,covalent,SING,C3,H34,no,N,9,,23956,bmse001270,BMET001270
10,covalent,SING,C4,C2,no,N,10,,23956,bmse001270,BMET001270
11,covalent,SING,C4,H35,no,N,11,,23956,bmse001270,BMET001270
12,covalent,SING,C4,H36,no,N,12,,23956,bmse001270,BMET001270
13,covalent,AROM,C5,C6,yes,N,13,,23956,bmse001270,BMET001270
14,covalent,SING,C5,H37,no,N,14,,23956,bmse001270,BMET001270
15,covalent,SING,C6,H38,no,N,15,,23956,bmse001270,BMET001270
16,covalent,SING,C7,H39,no,N,16,,23956,bmse001270,BMET001270
17,covalent,SING,C7,H40,no,N,17,,23956,bmse001270,BMET001270
18,covalent,AROM,C8,C5,yes,N,18,,23956,bmse001270,BMET001270
19,covalent,SING,C8,H41,no,N,19,,23956,bmse001270,BMET001270
20,covalent,AROM,C9,C6,yes,N,20,,23956,bmse001270,BMET001270
21,covalent,SING,C9,H42,no,N,21,,23956,bmse001270,BMET001270
22,covalent,SING,C10,H43,no,N,22,,23956,bmse001270,BMET001270
23,covalent,SING,C10,H44,no,N,23,,23956,bmse001270,BMET001270
24,covalent,SING,C11,C7,no,N,24,,23956,bmse001270,BMET001270
25,covalent,SING,C11,H45,no,N,25,,23956,bmse001270,BMET001270
26,covalent,SING,C11,H46,no,N,26,,23956,bmse001270,BMET001270
27,covalent,SING,C12,C7,no,N,27,,23956,bmse001270,BMET001270
28,covalent,SING,C12,H47,no,N,28,,23956,bmse001270,BMET001270
29,covalent,SING,C12,H48,no,N,29,,23956,bmse001270,BMET001270
30,covalent,SING,C13,C10,no,N,30,,23956,bmse001270,BMET001270
31,covalent,SING,C13,H49,no,N,31,,23956,bmse001270,BMET001270
32,covalent,SING,C13,H50,no,N,32,,23956,bmse001270,BMET001270
33,covalent,DOUB,C14,C18,no,N,33,,23956,bmse001270,BMET001270
34,covalent,SING,C14,H51,no,N,34,,23956,bmse001270,BMET001270
35,covalent,AROM,C15,C8,yes,N,35,,23956,bmse001270,BMET001270
36,covalent,AROM,C15,C17,yes,N,36,,23956,bmse001270,BMET001270
37,covalent,SING,C16,C10,no,N,37,,23956,bmse001270,BMET001270
38,covalent,AROM,C16,C15,yes,N,38,,23956,bmse001270,BMET001270
39,covalent,AROM,C17,C9,yes,N,39,,23956,bmse001270,BMET001270
40,covalent,SING,C18,C21,no,N,40,,23956,bmse001270,BMET001270
41,covalent,AROM,C19,C16,yes,N,41,,23956,bmse001270,BMET001270
42,covalent,SING,C20,C19,no,N,42,,23956,bmse001270,BMET001270
43,covalent,SING,C20,H52,no,N,43,,23956,bmse001270,BMET001270
44,covalent,SING,C22,C3,no,N,44,,23956,bmse001270,BMET001270
45,covalent,SING,C22,C11,no,N,45,,23956,bmse001270,BMET001270
46,covalent,SING,C22,C14,no,N,46,,23956,bmse001270,BMET001270
47,covalent,SING,C22,C20,no,N,47,,23956,bmse001270,BMET001270
48,covalent,SING,N23,C12,no,N,48,,23956,bmse001270,BMET001270
49,covalent,SING,N23,C13,no,N,49,,23956,bmse001270,BMET001270
50,covalent,SING,N23,C20,no,N,50,,23956,bmse001270,BMET001270
51,covalent,AROM,N24,C17,yes,N,51,,23956,bmse001270,BMET001270
52,covalent,SING,N24,C18,no,N,52,,23956,bmse001270,BMET001270
53,covalent,AROM,N24,C19,yes,N,53,,23956,bmse001270,BMET001270
54,carbonyl,DOUB,O25,C21,no,N,54,,23956,bmse001270,BMET001270
55,covalent,SING,O26,C4,no,N,55,,23956,bmse001270,BMET001270
56,ester,SING,O26,C21,no,N,56,,23956,bmse001270,BMET001270
1,covalent,SING,C1,H25,no,N,1,,23980,bmse001271,BMET001271
2,covalent,SING,C1,H26,no,N,2,,23980,bmse001271,BMET001271
3,covalent,SING,C1,H27,no,N,3,,23980,bmse001271,BMET001271
4,covalent,SING,C2,H28,no,N,4,,23980,bmse001271,BMET001271
5,covalent,SING,C2,H29,no,N,5,,23980,bmse001271,BMET001271
6,covalent,SING,C2,H30,no,N,6,,23980,bmse001271,BMET001271
7,covalent,SING,C3,C1,no,N,7,,23980,bmse001271,BMET001271
8,covalent,SING,C3,H31,no,N,8,,23980,bmse001271,BMET001271
9,covalent,SING,C3,H32,no,N,9,,23980,bmse001271,BMET001271
10,covalent,SING,C4,C2,no,N,10,,23980,bmse001271,BMET001271
11,covalent,SING,C4,H33,no,N,11,,23980,bmse001271,BMET001271
12,covalent,SING,C4,H34,no,N,12,,23980,bmse001271,BMET001271
13,covalent,SING,C5,H35,no,N,13,,23980,bmse001271,BMET001271
14,covalent,AROM,C6,C5,yes,N,14,,23980,bmse001271,BMET001271
15,covalent,SING,C6,H36,no,N,15,,23980,bmse001271,BMET001271
16,covalent,AROM,C7,C5,yes,N,16,,23980,bmse001271,BMET001271
17,covalent,SING,C7,H37,no,N,17,,23980,bmse001271,BMET001271
18,covalent,AROM,C8,C6,yes,N,18,,23980,bmse001271,BMET001271
19,covalent,SING,C8,H38,no,N,19,,23980,bmse001271,BMET001271
20,covalent,AROM,C9,C7,yes,N,20,,23980,bmse001271,BMET001271
21,covalent,SING,C9,H39,no,N,21,,23980,bmse001271,BMET001271
22,covalent,SING,C10,C11,no,N,22,,23980,bmse001271,BMET001271
23,covalent,SING,C10,H40,no,N,23,,23980,bmse001271,BMET001271
24,covalent,SING,C10,H41,no,N,24,,23980,bmse001271,BMET001271
25,covalent,SING,C11,C16,no,N,25,,23980,bmse001271,BMET001271
26,covalent,SING,C11,H42,no,N,26,,23980,bmse001271,BMET001271
27,covalent,SING,C11,H43,no,N,27,,23980,bmse001271,BMET001271
28,covalent,SING,C12,C3,no,N,28,,23980,bmse001271,BMET001271
29,covalent,SING,C12,H44,no,N,29,,23980,bmse001271,BMET001271
30,covalent,SING,C12,H45,no,N,30,,23980,bmse001271,BMET001271
31,covalent,SING,C13,C4,no,N,31,,23980,bmse001271,BMET001271
32,covalent,SING,C13,H46,no,N,32,,23980,bmse001271,BMET001271
33,covalent,SING,C13,H47,no,N,33,,23980,bmse001271,BMET001271
34,covalent,AROM,C14,C8,yes,N,34,,23980,bmse001271,BMET001271
35,covalent,AROM,C14,C9,yes,N,35,,23980,bmse001271,BMET001271
36,covalent,SING,C15,C10,no,N,36,,23980,bmse001271,BMET001271
37,covalent,SING,C15,C18,no,N,37,,23980,bmse001271,BMET001271
38,covalent,SING,C15,H48,no,N,38,,23980,bmse001271,BMET001271
39,covalent,SING,C17,C14,no,N,39,,23980,bmse001271,BMET001271
40,covalent,SING,N19,C15,no,N,40,,23980,bmse001271,BMET001271
41,amide,SING,N19,C17,no,N,41,,23980,bmse001271,BMET001271
42,covalent,SING,N19,H49,no,N,42,,23980,bmse001271,BMET001271
43,covalent,SING,N20,C12,no,N,43,,23980,bmse001271,BMET001271
44,covalent,SING,N20,C13,no,N,44,,23980,bmse001271,BMET001271
45,amide,SING,N20,C18,no,N,45,,23980,bmse001271,BMET001271
46,ester,SING,O21,C16,no,N,46,,23980,bmse001271,BMET001271
47,covalent,SING,O21,H50,no,N,47,,23980,bmse001271,BMET001271
48,carbonyl,DOUB,O22,C16,no,N,48,,23980,bmse001271,BMET001271
49,carbonyl,DOUB,O23,C17,no,N,49,,23980,bmse001271,BMET001271
50,carbonyl,DOUB,O24,C18,no,N,50,,23980,bmse001271,BMET001271
1,covalent,AROM,C1,C8,yes,N,1,,24004,bmse001272,BMET001272
2,covalent,SING,C1,H24,no,N,2,,24004,bmse001272,BMET001272
3,covalent,AROM,C2,C9,yes,N,3,,24004,bmse001272,BMET001272
4,covalent,SING,C2,H25,no,N,4,,24004,bmse001272,BMET001272
5,covalent,SING,C3,H26,no,N,5,,24004,bmse001272,BMET001272
6,covalent,AROM,C4,C6,yes,N,6,,24004,bmse001272,BMET001272
7,covalent,SING,C4,H27,no,N,7,,24004,bmse001272,BMET001272
8,covalent,AROM,C5,C1,yes,N,8,,24004,bmse001272,BMET001272
9,covalent,AROM,C5,C2,yes,N,9,,24004,bmse001272,BMET001272
10,covalent,AROM,C6,C3,yes,N,10,,24004,bmse001272,BMET001272
11,covalent,AROM,C7,C3,yes,N,11,,24004,bmse001272,BMET001272
12,covalent,AROM,C8,C12,yes,N,12,,24004,bmse001272,BMET001272
13,covalent,AROM,C9,C12,yes,N,13,,24004,bmse001272,BMET001272
14,covalent,AROM,C10,C4,yes,N,14,,24004,bmse001272,BMET001272
15,covalent,AROM,C11,C7,yes,N,15,,24004,bmse001272,BMET001272
16,covalent,AROM,C11,C10,yes,N,16,,24004,bmse001272,BMET001272
17,covalent,AROM,C11,C13,yes,N,17,,24004,bmse001272,BMET001272
18,covalent,AROM,C14,C13,yes,N,18,,24004,bmse001272,BMET001272
19,covalent,SING,C15,C5,no,N,19,,24004,bmse001272,BMET001272
20,covalent,AROM,C15,C14,yes,N,20,,24004,bmse001272,BMET001272
21,covalent,SING,O16,C6,no,N,21,,24004,bmse001272,BMET001272
22,covalent,SING,O16,H28,no,N,22,,24004,bmse001272,BMET001272
23,covalent,SING,O17,C7,no,N,23,,24004,bmse001272,BMET001272
24,covalent,SING,O17,H29,no,N,24,,24004,bmse001272,BMET001272
25,covalent,SING,O18,C8,no,N,25,,24004,bmse001272,BMET001272
26,covalent,SING,O18,H30,no,N,26,,24004,bmse001272,BMET001272
27,covalent,SING,O19,C9,no,N,27,,24004,bmse001272,BMET001272
28,covalent,SING,O19,H31,no,N,28,,24004,bmse001272,BMET001272
29,covalent,SING,O20,C12,no,N,29,,24004,bmse001272,BMET001272
30,covalent,SING,O20,H32,no,N,30,,24004,bmse001272,BMET001272
31,carbonyl,DOUB,O21,C13,no,N,31,,24004,bmse001272,BMET001272
32,covalent,SING,O22,C14,no,N,32,,24004,bmse001272,BMET001272
33,covalent,SING,O22,H33,no,N,33,,24004,bmse001272,BMET001272
34,covalent,AROM,O23,C10,yes,N,34,,24004,bmse001272,BMET001272
35,covalent,AROM,O23,C15,yes,N,35,,24004,bmse001272,BMET001272
1,covalent,SING,C1,H31,no,N,1,,24028,bmse001273,BMET001273
2,covalent,SING,C1,H32,no,N,2,,24028,bmse001273,BMET001273
3,covalent,SING,C1,H33,no,N,3,,24028,bmse001273,BMET001273
4,covalent,SING,C2,H34,no,N,4,,24028,bmse001273,BMET001273
5,covalent,SING,C2,H35,no,N,5,,24028,bmse001273,BMET001273
6,covalent,SING,C2,H36,no,N,6,,24028,bmse001273,BMET001273
7,covalent,SING,C3,H37,no,N,7,,24028,bmse001273,BMET001273
8,covalent,SING,C3,H38,no,N,8,,24028,bmse001273,BMET001273
9,covalent,SING,C3,H39,no,N,9,,24028,bmse001273,BMET001273
10,covalent,SING,C4,H40,no,N,10,,24028,bmse001273,BMET001273
11,covalent,SING,C4,H41,no,N,11,,24028,bmse001273,BMET001273
12,covalent,SING,C4,H42,no,N,12,,24028,bmse001273,BMET001273
13,covalent,SING,C5,H43,no,N,13,,24028,bmse001273,BMET001273
14,covalent,SING,C5,H44,no,N,14,,24028,bmse001273,BMET001273
15,covalent,SING,C5,H45,no,N,15,,24028,bmse001273,BMET001273
16,covalent,SING,C6,C1,no,N,16,,24028,bmse001273,BMET001273
17,covalent,SING,C6,H46,no,N,17,,24028,bmse001273,BMET001273
18,covalent,SING,C6,H47,no,N,18,,24028,bmse001273,BMET001273
19,covalent,DOUB,C7,C8,no,N,19,,24028,bmse001273,BMET001273
20,covalent,SING,C7,H48,no,N,20,,24028,bmse001273,BMET001273
21,covalent,SING,C8,H49,no,N,21,,24028,bmse001273,BMET001273
22,covalent,SING,C9,C19,no,N,22,,24028,bmse001273,BMET001273
23,covalent,SING,C9,H50,no,N,23,,24028,bmse001273,BMET001273
24,covalent,SING,C9,H51,no,N,24,,24028,bmse001273,BMET001273
25,covalent,SING,C10,C9,no,N,25,,24028,bmse001273,BMET001273
26,covalent,SING,C10,H52,no,N,26,,24028,bmse001273,BMET001273
27,covalent,SING,C10,H53,no,N,27,,24028,bmse001273,BMET001273
28,covalent,SING,C11,H54,no,N,28,,24028,bmse001273,BMET001273
29,covalent,SING,C12,C15,no,N,29,,24028,bmse001273,BMET001273
30,covalent,SING,C12,H55,no,N,30,,24028,bmse001273,BMET001273
31,covalent,SING,C12,H56,no,N,31,,24028,bmse001273,BMET001273
32,covalent,SING,C13,C18,no,N,32,,24028,bmse001273,BMET001273
33,covalent,SING,C13,H57,no,N,33,,24028,bmse001273,BMET001273
34,covalent,SING,C13,H58,no,N,34,,24028,bmse001273,BMET001273
35,covalent,SING,C14,C22,no,N,35,,24028,bmse001273,BMET001273
36,covalent,SING,C14,H59,no,N,36,,24028,bmse001273,BMET001273
37,covalent,SING,C14,H60,no,N,37,,24028,bmse001273,BMET001273
38,covalent,SING,C15,C2,no,N,38,,24028,bmse001273,BMET001273
39,covalent,SING,C15,C11,no,N,39,,24028,bmse001273,BMET001273
40,covalent,SING,C15,H61,no,N,40,,24028,bmse001273,BMET001273
41,covalent,SING,C16,C3,no,N,41,,24028,bmse001273,BMET001273
42,covalent,SING,C16,C7,no,N,42,,24028,bmse001273,BMET001273
43,covalent,SING,C16,H62,no,N,43,,24028,bmse001273,BMET001273
44,covalent,SING,C17,C8,no,N,44,,24028,bmse001273,BMET001273
45,covalent,DOUB,C17,C11,no,N,45,,24028,bmse001273,BMET001273
46,covalent,SING,C18,C14,no,N,46,,24028,bmse001273,BMET001273
47,covalent,SING,C18,H63,no,N,47,,24028,bmse001273,BMET001273
48,covalent,SING,C19,C13,no,N,48,,24028,bmse001273,BMET001273
49,covalent,SING,C19,H64,no,N,49,,24028,bmse001273,BMET001273
50,covalent,SING,C20,C10,no,N,50,,24028,bmse001273,BMET001273
51,covalent,SING,C20,C16,no,N,51,,24028,bmse001273,BMET001273
52,covalent,SING,C20,H65,no,N,52,,24028,bmse001273,BMET001273
53,covalent,SING,C21,C12,no,N,53,,24028,bmse001273,BMET001273
54,covalent,SING,C21,H66,no,N,54,,24028,bmse001273,BMET001273
55,covalent,SING,C23,C17,no,N,55,,24028,bmse001273,BMET001273
56,covalent,SING,C23,C20,no,N,56,,24028,bmse001273,BMET001273
57,covalent,SING,C23,C21,no,N,57,,24028,bmse001273,BMET001273
58,covalent,SING,C23,H67,no,N,58,,24028,bmse001273,BMET001273
59,covalent,SING,C24,C25,no,N,59,,24028,bmse001273,BMET001273
60,covalent,SING,C25,C4,no,N,60,,24028,bmse001273,BMET001273
61,covalent,SING,C25,C5,no,N,61,,24028,bmse001273,BMET001273
62,covalent,SING,C25,C6,no,N,62,,24028,bmse001273,BMET001273
63,covalent,SING,O26,C18,no,N,63,,24028,bmse001273,BMET001273
64,covalent,SING,O26,H68,no,N,64,,24028,bmse001273,BMET001273
65,carbonyl,DOUB,O27,C22,no,N,65,,24028,bmse001273,BMET001273
66,carbonyl,DOUB,O28,C24,no,N,66,,24028,bmse001273,BMET001273
67,covalent,SING,O29,C19,no,N,67,,24028,bmse001273,BMET001273
68,ester,SING,O29,C22,no,N,68,,24028,bmse001273,BMET001273
69,covalent,SING,O30,C21,no,N,69,,24028,bmse001273,BMET001273
70,ester,SING,O30,C24,no,N,70,,24028,bmse001273,BMET001273
1,covalent,SING,C1,H11,no,N,1,,24052,bmse001274,BMET001274
2,covalent,SING,C1,H12,no,N,2,,24052,bmse001274,BMET001274
3,covalent,SING,C1,H13,no,N,3,,24052,bmse001274,BMET001274
4,covalent,SING,C2,H14,no,N,4,,24052,bmse001274,BMET001274
5,covalent,SING,C2,H15,no,N,5,,24052,bmse001274,BMET001274
6,covalent,SING,C2,H16,no,N,6,,24052,bmse001274,BMET001274
7,covalent,SING,C3,H17,no,N,7,,24052,bmse001274,BMET001274
8,covalent,SING,C3,H18,no,N,8,,24052,bmse001274,BMET001274
9,covalent,SING,C3,H19,no,N,9,,24052,bmse001274,BMET001274
10,covalent,SING,C4,H20,no,N,10,,24052,bmse001274,BMET001274
11,covalent,SING,C5,C7,no,N,11,,24052,bmse001274,BMET001274
12,covalent,SING,C5,H21,no,N,12,,24052,bmse001274,BMET001274
13,covalent,SING,C5,H22,no,N,13,,24052,bmse001274,BMET001274
14,covalent,SING,C6,C8,no,N,14,,24052,bmse001274,BMET001274
15,covalent,SING,C6,H23,no,N,15,,24052,bmse001274,BMET001274
16,covalent,SING,C6,H24,no,N,16,,24052,bmse001274,BMET001274
17,covalent,SING,C7,C1,no,N,17,,24052,bmse001274,BMET001274
18,covalent,DOUB,C7,C4,no,N,18,,24052,bmse001274,BMET001274
19,covalent,SING,C8,C4,no,N,19,,24052,bmse001274,BMET001274
20,covalent,SING,C9,C2,no,N,20,,24052,bmse001274,BMET001274
21,covalent,SING,C9,C3,no,N,21,,24052,bmse001274,BMET001274
22,covalent,SING,C9,C5,no,N,22,,24052,bmse001274,BMET001274
23,covalent,SING,C9,C6,no,N,23,,24052,bmse001274,BMET001274
24,carbonyl,DOUB,O10,C8,no,N,24,,24052,bmse001274,BMET001274
1,covalent,SING,C1,H34,no,N,1,,24076,bmse001275,BMET001275
2,covalent,SING,C1,H35,no,N,2,,24076,bmse001275,BMET001275
3,covalent,SING,C1,H36,no,N,3,,24076,bmse001275,BMET001275
4,covalent,SING,C2,H37,no,N,4,,24076,bmse001275,BMET001275
5,covalent,SING,C2,H38,no,N,5,,24076,bmse001275,BMET001275
6,covalent,SING,C2,H39,no,N,6,,24076,bmse001275,BMET001275
7,covalent,SING,C3,H40,no,N,7,,24076,bmse001275,BMET001275
8,covalent,SING,C3,H41,no,N,8,,24076,bmse001275,BMET001275
9,covalent,SING,C3,H42,no,N,9,,24076,bmse001275,BMET001275
10,covalent,SING,C4,H43,no,N,10,,24076,bmse001275,BMET001275
11,covalent,SING,C4,H44,no,N,11,,24076,bmse001275,BMET001275
12,covalent,SING,C4,H45,no,N,12,,24076,bmse001275,BMET001275
13,covalent,SING,C5,H46,no,N,13,,24076,bmse001275,BMET001275
14,covalent,SING,C5,H47,no,N,14,,24076,bmse001275,BMET001275
15,covalent,SING,C5,H48,no,N,15,,24076,bmse001275,BMET001275
16,covalent,SING,C6,H49,no,N,16,,24076,bmse001275,BMET001275
17,covalent,SING,C6,H50,no,N,17,,24076,bmse001275,BMET001275
18,covalent,SING,C6,H51,no,N,18,,24076,bmse001275,BMET001275
19,covalent,SING,C7,H52,no,N,19,,24076,bmse001275,BMET001275
20,covalent,AROM,C8,C7,yes,N,20,,24076,bmse001275,BMET001275
21,covalent,SING,C8,H53,no,N,21,,24076,bmse001275,BMET001275
22,covalent,SING,C9,C12,no,N,22,,24076,bmse001275,BMET001275
23,covalent,SING,C9,H54,no,N,23,,24076,bmse001275,BMET001275
24,covalent,SING,C9,H55,no,N,24,,24076,bmse001275,BMET001275
25,covalent,SING,C10,C15,no,N,25,,24076,bmse001275,BMET001275
26,covalent,SING,C10,H56,no,N,26,,24076,bmse001275,BMET001275
27,covalent,SING,C10,H57,no,N,27,,24076,bmse001275,BMET001275
28,covalent,SING,C11,C17,no,N,28,,24076,bmse001275,BMET001275
29,covalent,SING,C11,H58,no,N,29,,24076,bmse001275,BMET001275
30,covalent,SING,C11,H59,no,N,30,,24076,bmse001275,BMET001275
31,covalent,SING,C12,C22,no,N,31,,24076,bmse001275,BMET001275
32,covalent,SING,C12,H60,no,N,32,,24076,bmse001275,BMET001275
33,covalent,SING,C12,H61,no,N,33,,24076,bmse001275,BMET001275
34,covalent,SING,C13,C9,no,N,34,,24076,bmse001275,BMET001275
35,covalent,SING,C13,H62,no,N,35,,24076,bmse001275,BMET001275
36,covalent,SING,C13,H63,no,N,36,,24076,bmse001275,BMET001275
37,covalent,SING,C14,C10,no,N,37,,24076,bmse001275,BMET001275
38,covalent,SING,C14,H64,no,N,38,,24076,bmse001275,BMET001275
39,covalent,SING,C14,H65,no,N,39,,24076,bmse001275,BMET001275
40,covalent,SING,C15,H66,no,N,40,,24076,bmse001275,BMET001275
41,covalent,SING,C15,H67,no,N,41,,24076,bmse001275,BMET001275
42,covalent,SING,C16,C11,no,N,42,,24076,bmse001275,BMET001275
43,covalent,SING,C16,H68,no,N,43,,24076,bmse001275,BMET001275
44,covalent,SING,C16,H69,no,N,44,,24076,bmse001275,BMET001275
45,covalent,SING,C17,C25,no,N,45,,24076,bmse001275,BMET001275
46,covalent,SING,C17,H70,no,N,46,,24076,bmse001275,BMET001275
47,covalent,SING,C17,H71,no,N,47,,24076,bmse001275,BMET001275
48,covalent,AROM,C18,C7,yes,N,48,,24076,bmse001275,BMET001275
49,covalent,SING,C18,H72,no,N,49,,24076,bmse001275,BMET001275
50,covalent,AROM,C19,C8,yes,N,50,,24076,bmse001275,BMET001275
51,covalent,SING,C19,H73,no,N,51,,24076,bmse001275,BMET001275
52,covalent,SING,C20,C21,no,N,52,,24076,bmse001275,BMET001275
53,covalent,SING,C20,H74,no,N,53,,24076,bmse001275,BMET001275
54,covalent,SING,C21,C27,no,N,54,,24076,bmse001275,BMET001275
55,covalent,SING,C21,H75,no,N,55,,24076,bmse001275,BMET001275
56,covalent,SING,C21,H76,no,N,56,,24076,bmse001275,BMET001275
57,covalent,SING,C22,C1,no,N,57,,24076,bmse001275,BMET001275
58,covalent,SING,C22,C2,no,N,58,,24076,bmse001275,BMET001275
59,covalent,SING,C22,H77,no,N,59,,24076,bmse001275,BMET001275
60,covalent,SING,C23,C3,no,N,60,,24076,bmse001275,BMET001275
61,covalent,SING,C23,C13,no,N,61,,24076,bmse001275,BMET001275
62,covalent,SING,C23,C14,no,N,62,,24076,bmse001275,BMET001275
63,covalent,SING,C23,H78,no,N,63,,24076,bmse001275,BMET001275
64,covalent,SING,C24,C4,no,N,64,,24076,bmse001275,BMET001275
65,covalent,SING,C24,C15,no,N,65,,24076,bmse001275,BMET001275
66,covalent,SING,C24,C16,no,N,66,,24076,bmse001275,BMET001275
67,covalent,SING,C24,H79,no,N,67,,24076,bmse001275,BMET001275
68,covalent,SING,C25,C5,no,N,68,,24076,bmse001275,BMET001275
69,covalent,DOUB,C25,C20,no,E,69,,24076,bmse001275,BMET001275
70,covalent,SING,C26,C6,no,N,70,,24076,bmse001275,BMET001275
71,covalent,SING,C26,C30,no,N,71,,24076,bmse001275,BMET001275
72,covalent,DOUB,C27,C26,no,N,72,,24076,bmse001275,BMET001275
73,covalent,SING,C27,C31,no,N,73,,24076,bmse001275,BMET001275
74,covalent,AROM,C28,C18,yes,N,74,,24076,bmse001275,BMET001275
75,covalent,SING,C28,C30,no,N,75,,24076,bmse001275,BMET001275
76,covalent,AROM,C29,C19,yes,N,76,,24076,bmse001275,BMET001275
77,covalent,AROM,C29,C28,yes,N,77,,24076,bmse001275,BMET001275
78,covalent,SING,C31,C29,no,N,78,,24076,bmse001275,BMET001275
79,carbonyl,DOUB,O32,C30,no,N,79,,24076,bmse001275,BMET001275
80,carbonyl,DOUB,O33,C31,no,N,80,,24076,bmse001275,BMET001275
1,covalent,AROM,C1,C2,yes,N,1,,24100,bmse001276,BMET001276
2,covalent,SING,C1,H22,no,N,2,,24100,bmse001276,BMET001276
3,covalent,AROM,C2,C9,yes,N,3,,24100,bmse001276,BMET001276
4,covalent,SING,C2,H23,no,N,4,,24100,bmse001276,BMET001276
5,covalent,AROM,C3,C10,yes,N,5,,24100,bmse001276,BMET001276
6,covalent,SING,C3,H24,no,N,6,,24100,bmse001276,BMET001276
7,covalent,SING,C4,H25,no,N,7,,24100,bmse001276,BMET001276
8,covalent,AROM,C5,C8,yes,N,8,,24100,bmse001276,BMET001276
9,covalent,SING,C5,H26,no,N,9,,24100,bmse001276,BMET001276
10,covalent,SING,C6,H27,no,N,10,,24100,bmse001276,BMET001276
11,covalent,AROM,C7,C1,yes,N,11,,24100,bmse001276,BMET001276
12,covalent,AROM,C7,C3,yes,N,12,,24100,bmse001276,BMET001276
13,covalent,AROM,C8,C4,yes,N,13,,24100,bmse001276,BMET001276
14,covalent,AROM,C10,C9,yes,N,14,,24100,bmse001276,BMET001276
15,covalent,AROM,C11,C4,yes,N,15,,24100,bmse001276,BMET001276
16,covalent,AROM,C12,C6,yes,N,16,,24100,bmse001276,BMET001276
17,covalent,AROM,C13,C6,yes,N,17,,24100,bmse001276,BMET001276
18,covalent,SING,C13,C7,no,N,18,,24100,bmse001276,BMET001276
19,covalent,AROM,C14,C5,yes,N,19,,24100,bmse001276,BMET001276
20,covalent,AROM,C15,C11,yes,N,20,,24100,bmse001276,BMET001276
21,covalent,AROM,C15,C12,yes,N,21,,24100,bmse001276,BMET001276
22,covalent,AROM,C15,C14,yes,N,22,,24100,bmse001276,BMET001276
23,covalent,SING,O16,C8,no,N,23,,24100,bmse001276,BMET001276
24,covalent,SING,O16,H28,no,N,24,,24100,bmse001276,BMET001276
25,covalent,SING,O17,C9,no,N,25,,24100,bmse001276,BMET001276
26,covalent,SING,O17,H29,no,N,26,,24100,bmse001276,BMET001276
27,covalent,SING,O18,C10,no,N,27,,24100,bmse001276,BMET001276
28,covalent,SING,O18,H30,no,N,28,,24100,bmse001276,BMET001276
29,covalent,SING,O19,C11,no,N,29,,24100,bmse001276,BMET001276
30,covalent,SING,O19,H31,no,N,30,,24100,bmse001276,BMET001276
31,carbonyl,DOUB,O20,C12,no,N,31,,24100,bmse001276,BMET001276
32,covalent,AROM,O21,C13,yes,N,32,,24100,bmse001276,BMET001276
33,covalent,AROM,O21,C14,yes,N,33,,24100,bmse001276,BMET001276
1,covalent,SING,C1,H21,no,N,1,,24124,bmse001277,BMET001277
2,covalent,SING,C2,H22,no,N,2,,24124,bmse001277,BMET001277
3,covalent,AROM,C3,C1,yes,N,3,,24124,bmse001277,BMET001277
4,covalent,SING,C3,H23,no,N,4,,24124,bmse001277,BMET001277
5,covalent,AROM,C4,C2,yes,N,5,,24124,bmse001277,BMET001277
6,covalent,SING,C4,H24,no,N,6,,24124,bmse001277,BMET001277
7,covalent,AROM,C5,C7,yes,N,7,,24124,bmse001277,BMET001277
8,covalent,SING,C5,H25,no,N,8,,24124,bmse001277,BMET001277
9,covalent,SING,C6,H26,no,N,9,,24124,bmse001277,BMET001277
10,covalent,AROM,C7,C1,yes,N,10,,24124,bmse001277,BMET001277
11,covalent,AROM,C8,C5,yes,N,11,,24124,bmse001277,BMET001277
12,covalent,AROM,C8,C11,yes,N,12,,24124,bmse001277,BMET001277
13,covalent,AROM,C9,C6,yes,N,13,,24124,bmse001277,BMET001277
14,covalent,AROM,C9,C8,yes,N,14,,24124,bmse001277,BMET001277
15,covalent,AROM,C10,C2,yes,N,15,,24124,bmse001277,BMET001277
16,covalent,AROM,C11,C3,yes,N,16,,24124,bmse001277,BMET001277
17,covalent,AROM,C12,C4,yes,N,17,,24124,bmse001277,BMET001277
18,covalent,AROM,C13,C9,yes,N,18,,24124,bmse001277,BMET001277
19,covalent,AROM,C13,C12,yes,N,19,,24124,bmse001277,BMET001277
20,covalent,AROM,C13,C14,yes,N,20,,24124,bmse001277,BMET001277
21,covalent,AROM,C14,C10,yes,N,21,,24124,bmse001277,BMET001277
22,covalent,AROM,C14,C15,yes,N,22,,24124,bmse001277,BMET001277
23,covalent,SING,O16,C7,no,N,23,,24124,bmse001277,BMET001277
24,covalent,SING,O16,H27,no,N,24,,24124,bmse001277,BMET001277
25,covalent,SING,O17,C10,no,N,25,,24124,bmse001277,BMET001277
26,covalent,SING,O17,H28,no,N,26,,24124,bmse001277,BMET001277
27,carbonyl,DOUB,O18,C15,no,N,27,,24124,bmse001277,BMET001277
28,covalent,AROM,O19,C6,yes,N,28,,24124,bmse001277,BMET001277
29,ester,AROM,O19,C15,yes,N,29,,24124,bmse001277,BMET001277
30,covalent,AROM,O20,C11,yes,N,30,,24124,bmse001277,BMET001277
31,covalent,AROM,O20,C12,yes,N,31,,24124,bmse001277,BMET001277
1,covalent,SING,C1,H28,no,N,1,,24148,bmse001278,BMET001278
2,covalent,SING,C1,H29,no,N,2,,24148,bmse001278,BMET001278
3,covalent,SING,C1,H30,no,N,3,,24148,bmse001278,BMET001278
4,covalent,AROM,C2,C3,yes,N,4,,24148,bmse001278,BMET001278
5,covalent,SING,C2,H31,no,N,5,,24148,bmse001278,BMET001278
6,covalent,SING,C3,H32,no,N,6,,24148,bmse001278,BMET001278
7,covalent,SING,C4,H33,no,N,7,,24148,bmse001278,BMET001278
8,covalent,SING,C4,H34,no,N,8,,24148,bmse001278,BMET001278
9,covalent,SING,C5,C4,no,N,9,,24148,bmse001278,BMET001278
10,covalent,SING,C5,H35,no,N,10,,24148,bmse001278,BMET001278
11,covalent,SING,C5,H36,no,N,11,,24148,bmse001278,BMET001278
12,covalent,AROM,C6,C14,yes,N,12,,24148,bmse001278,BMET001278
13,covalent,SING,C6,H37,no,N,13,,24148,bmse001278,BMET001278
14,covalent,AROM,C7,C15,yes,N,14,,24148,bmse001278,BMET001278
15,covalent,SING,C7,H38,no,N,15,,24148,bmse001278,BMET001278
16,covalent,SING,C8,H39,no,N,16,,24148,bmse001278,BMET001278
17,covalent,SING,C8,H40,no,N,17,,24148,bmse001278,BMET001278
18,covalent,SING,C9,H41,no,N,18,,24148,bmse001278,BMET001278
19,covalent,SING,C9,H42,no,N,19,,24148,bmse001278,BMET001278
20,covalent,SING,C10,C4,no,N,20,,24148,bmse001278,BMET001278
21,covalent,AROM,C10,C6,yes,N,21,,24148,bmse001278,BMET001278
22,covalent,AROM,C11,C2,yes,N,22,,24148,bmse001278,BMET001278
23,covalent,AROM,C11,C16,yes,N,23,,24148,bmse001278,BMET001278
24,covalent,AROM,C12,C7,yes,N,24,,24148,bmse001278,BMET001278
25,covalent,AROM,C12,C10,yes,N,25,,24148,bmse001278,BMET001278
26,covalent,AROM,C13,C3,yes,N,26,,24148,bmse001278,BMET001278
27,covalent,AROM,C15,C14,yes,N,27,,24148,bmse001278,BMET001278
28,covalent,AROM,C16,C19,yes,N,28,,24148,bmse001278,BMET001278
29,covalent,SING,C16,C20,no,N,29,,24148,bmse001278,BMET001278
30,covalent,SING,C17,C12,no,N,30,,24148,bmse001278,BMET001278
31,covalent,SING,C17,C18,no,N,31,,24148,bmse001278,BMET001278
32,covalent,SING,C17,H43,no,N,32,,24148,bmse001278,BMET001278
33,covalent,SING,C18,C11,no,N,33,,24148,bmse001278,BMET001278
34,covalent,SING,C18,H44,no,N,34,,24148,bmse001278,BMET001278
35,covalent,AROM,C19,C13,yes,N,35,,24148,bmse001278,BMET001278
36,covalent,SING,N21,C1,no,N,36,,24148,bmse001278,BMET001278
37,covalent,SING,N21,C5,no,N,37,,24148,bmse001278,BMET001278
38,covalent,SING,N21,C17,no,N,38,,24148,bmse001278,BMET001278
39,carbonyl,DOUB,O22,C20,no,N,39,,24148,bmse001278,BMET001278
40,covalent,SING,O23,C9,no,N,40,,24148,bmse001278,BMET001278
41,covalent,SING,O23,C13,no,N,41,,24148,bmse001278,BMET001278
42,covalent,SING,O24,C8,no,N,42,,24148,bmse001278,BMET001278
43,covalent,SING,O24,C14,no,N,43,,24148,bmse001278,BMET001278
44,covalent,SING,O25,C8,no,N,44,,24148,bmse001278,BMET001278
45,covalent,SING,O25,C15,no,N,45,,24148,bmse001278,BMET001278
46,covalent,SING,O26,C9,no,N,46,,24148,bmse001278,BMET001278
47,covalent,SING,O26,C19,no,N,47,,24148,bmse001278,BMET001278
48,covalent,SING,O27,C18,no,N,48,,24148,bmse001278,BMET001278
49,ester,SING,O27,C20,no,N,49,,24148,bmse001278,BMET001278
1,covalent,SING,C1,H17,no,N,1,,24172,bmse001279,BMET001279
2,covalent,SING,C1,H18,no,N,2,,24172,bmse001279,BMET001279
3,covalent,SING,C1,H19,no,N,3,,24172,bmse001279,BMET001279
4,covalent,SING,C2,H20,no,N,4,,24172,bmse001279,BMET001279
5,covalent,SING,C2,H21,no,N,5,,24172,bmse001279,BMET001279
6,covalent,SING,C2,H22,no,N,6,,24172,bmse001279,BMET001279
7,covalent,SING,C3,H23,no,N,7,,24172,bmse001279,BMET001279
8,covalent,SING,C3,H24,no,N,8,,24172,bmse001279,BMET001279
9,covalent,SING,C3,H25,no,N,9,,24172,bmse001279,BMET001279
10,covalent,SING,C4,H26,no,N,10,,24172,bmse001279,BMET001279
11,covalent,SING,C4,H27,no,N,11,,24172,bmse001279,BMET001279
12,covalent,SING,C4,H28,no,N,12,,24172,bmse001279,BMET001279
13,covalent,SING,C5,C1,no,N,13,,24172,bmse001279,BMET001279
14,covalent,SING,C5,H29,no,N,14,,24172,bmse001279,BMET001279
15,covalent,SING,C5,H30,no,N,15,,24172,bmse001279,BMET001279
16,covalent,SING,C6,C10,no,N,16,,24172,bmse001279,BMET001279
17,covalent,SING,C6,H31,no,N,17,,24172,bmse001279,BMET001279
18,covalent,SING,C6,H32,no,N,18,,24172,bmse001279,BMET001279
19,covalent,SING,C7,H33,no,N,19,,24172,bmse001279,BMET001279
20,covalent,SING,C8,C2,no,N,20,,24172,bmse001279,BMET001279
21,covalent,SING,C8,C3,no,N,21,,24172,bmse001279,BMET001279
22,covalent,SING,C8,C6,no,N,22,,24172,bmse001279,BMET001279
23,covalent,SING,C8,H34,no,N,23,,24172,bmse001279,BMET001279
24,covalent,SING,C9,C4,no,N,24,,24172,bmse001279,BMET001279
25,covalent,SING,C9,C5,no,N,25,,24172,bmse001279,BMET001279
26,covalent,SING,C9,C11,no,N,26,,24172,bmse001279,BMET001279
27,covalent,SING,C9,H35,no,N,27,,24172,bmse001279,BMET001279
28,covalent,AROM,C10,C12,yes,N,28,,24172,bmse001279,BMET001279
29,covalent,AROM,C11,C7,yes,N,29,,24172,bmse001279,BMET001279
30,covalent,AROM,N13,C7,yes,N,30,,24172,bmse001279,BMET001279
31,covalent,AROM,N13,C10,yes,N,31,,24172,bmse001279,BMET001279
32,covalent,AROM,N14,C11,yes,N,32,,24172,bmse001279,BMET001279
33,amide,AROM,N14,C12,yes,N,33,,24172,bmse001279,BMET001279
34,carbonyl,DOUB,O15,C12,no,N,34,,24172,bmse001279,BMET001279
35,covalent,SING,O16,N14,no,N,35,,24172,bmse001279,BMET001279
36,covalent,SING,O16,H36,no,N,36,,24172,bmse001279,BMET001279
1,covalent,SING,C1,C3,no,N,1,,24196,bmse001280,BMET001280
2,covalent,SING,C1,H22,no,N,2,,24196,bmse001280,BMET001280
3,covalent,SING,C1,H23,no,N,3,,24196,bmse001280,BMET001280
4,covalent,SING,C2,C1,no,N,4,,24196,bmse001280,BMET001280
5,covalent,SING,C2,H24,no,N,5,,24196,bmse001280,BMET001280
6,covalent,SING,C2,H25,no,N,6,,24196,bmse001280,BMET001280
7,covalent,SING,C3,C8,no,N,7,,24196,bmse001280,BMET001280
8,covalent,SING,C3,H26,no,N,8,,24196,bmse001280,BMET001280
9,covalent,SING,C3,H27,no,N,9,,24196,bmse001280,BMET001280
10,covalent,SING,C4,C5,no,N,10,,24196,bmse001280,BMET001280
11,covalent,SING,C4,H28,no,N,11,,24196,bmse001280,BMET001280
12,covalent,SING,C4,H29,no,N,12,,24196,bmse001280,BMET001280
13,covalent,SING,C5,C9,no,N,13,,24196,bmse001280,BMET001280
14,covalent,SING,C5,H30,no,N,14,,24196,bmse001280,BMET001280
15,covalent,SING,C5,H31,no,N,15,,24196,bmse001280,BMET001280
16,covalent,SING,C6,C2,no,N,16,,24196,bmse001280,BMET001280
17,covalent,SING,C6,H32,no,N,17,,24196,bmse001280,BMET001280
18,covalent,SING,C6,H33,no,N,18,,24196,bmse001280,BMET001280
19,covalent,SING,C7,C4,no,N,19,,24196,bmse001280,BMET001280
20,covalent,SING,C7,H34,no,N,20,,24196,bmse001280,BMET001280
21,covalent,SING,C7,H35,no,N,21,,24196,bmse001280,BMET001280
22,covalent,SING,C8,C12,no,N,22,,24196,bmse001280,BMET001280
23,covalent,SING,C8,H36,no,N,23,,24196,bmse001280,BMET001280
24,covalent,SING,C8,H37,no,N,24,,24196,bmse001280,BMET001280
25,covalent,SING,C9,C13,no,N,25,,24196,bmse001280,BMET001280
26,covalent,SING,C9,H38,no,N,26,,24196,bmse001280,BMET001280
27,covalent,SING,C9,H39,no,N,27,,24196,bmse001280,BMET001280
28,covalent,SING,C10,C6,no,N,28,,24196,bmse001280,BMET001280
29,covalent,SING,C10,H40,no,N,29,,24196,bmse001280,BMET001280
30,covalent,SING,C10,H41,no,N,30,,24196,bmse001280,BMET001280
31,covalent,SING,C11,C7,no,N,31,,24196,bmse001280,BMET001280
32,covalent,SING,C11,H42,no,N,32,,24196,bmse001280,BMET001280
33,covalent,SING,C11,H43,no,N,33,,24196,bmse001280,BMET001280
34,covalent,SING,C12,C16,no,N,34,,24196,bmse001280,BMET001280
35,covalent,SING,C12,H44,no,N,35,,24196,bmse001280,BMET001280
36,covalent,SING,C12,H45,no,N,36,,24196,bmse001280,BMET001280
37,covalent,SING,C13,H46,no,N,37,,24196,bmse001280,BMET001280
38,covalent,SING,C13,H47,no,N,38,,24196,bmse001280,BMET001280
39,covalent,SING,C14,C10,no,N,39,,24196,bmse001280,BMET001280
40,covalent,SING,C14,C15,no,N,40,,24196,bmse001280,BMET001280
41,covalent,SING,C14,H48,no,N,41,,24196,bmse001280,BMET001280
42,covalent,SING,C15,C11,no,N,42,,24196,bmse001280,BMET001280
43,covalent,SING,C15,H49,no,N,43,,24196,bmse001280,BMET001280
44,covalent,SING,O17,C13,no,N,44,,24196,bmse001280,BMET001280
45,covalent,SING,O17,H50,no,N,45,,24196,bmse001280,BMET001280
46,covalent,SING,O18,C14,no,N,46,,24196,bmse001280,BMET001280
47,covalent,SING,O18,H51,no,N,47,,24196,bmse001280,BMET001280
48,covalent,SING,O19,C15,no,N,48,,24196,bmse001280,BMET001280
49,covalent,SING,O19,H52,no,N,49,,24196,bmse001280,BMET001280
50,ester,SING,O20,C16,no,N,50,,24196,bmse001280,BMET001280
51,covalent,SING,O20,H53,no,N,51,,24196,bmse001280,BMET001280
52,carbonyl,DOUB,O21,C16,no,N,52,,24196,bmse001280,BMET001280
1,covalent,SING,C1,H31,no,N,1,,24220,bmse001281,BMET001281
2,covalent,SING,C1,H32,no,N,2,,24220,bmse001281,BMET001281
3,covalent,SING,C1,H33,no,N,3,,24220,bmse001281,BMET001281
4,covalent,SING,C2,H34,no,N,4,,24220,bmse001281,BMET001281
5,covalent,SING,C2,H35,no,N,5,,24220,bmse001281,BMET001281
6,covalent,SING,C2,H36,no,N,6,,24220,bmse001281,BMET001281
7,covalent,SING,C3,H37,no,N,7,,24220,bmse001281,BMET001281
8,covalent,SING,C3,H38,no,N,8,,24220,bmse001281,BMET001281
9,covalent,SING,C3,H39,no,N,9,,24220,bmse001281,BMET001281
10,covalent,SING,C4,H40,no,N,10,,24220,bmse001281,BMET001281
11,covalent,SING,C4,H41,no,N,11,,24220,bmse001281,BMET001281
12,covalent,SING,C4,H42,no,N,12,,24220,bmse001281,BMET001281
13,covalent,AROM,C5,C6,yes,N,13,,24220,bmse001281,BMET001281
14,covalent,SING,C5,H43,no,N,14,,24220,bmse001281,BMET001281
15,covalent,AROM,C6,C13,yes,N,15,,24220,bmse001281,BMET001281
16,covalent,SING,C6,H44,no,N,16,,24220,bmse001281,BMET001281
17,covalent,SING,C7,H45,no,N,17,,24220,bmse001281,BMET001281
18,covalent,SING,C7,H46,no,N,18,,24220,bmse001281,BMET001281
19,covalent,SING,C8,C7,no,N,19,,24220,bmse001281,BMET001281
20,covalent,SING,C8,H47,no,N,20,,24220,bmse001281,BMET001281
21,covalent,SING,C8,H48,no,N,21,,24220,bmse001281,BMET001281
22,covalent,AROM,C9,C14,yes,N,22,,24220,bmse001281,BMET001281
23,covalent,SING,C9,H49,no,N,23,,24220,bmse001281,BMET001281
24,covalent,SING,C10,H50,no,N,24,,24220,bmse001281,BMET001281
25,covalent,SING,C10,H51,no,N,25,,24220,bmse001281,BMET001281
26,covalent,SING,C11,C7,no,N,26,,24220,bmse001281,BMET001281
27,covalent,AROM,C11,C9,yes,N,27,,24220,bmse001281,BMET001281
28,covalent,AROM,C12,C5,yes,N,28,,24220,bmse001281,BMET001281
29,covalent,AROM,C12,C16,yes,N,29,,24220,bmse001281,BMET001281
30,covalent,AROM,C15,C11,yes,N,30,,24220,bmse001281,BMET001281
31,covalent,AROM,C15,C21,yes,N,31,,24220,bmse001281,BMET001281
32,covalent,AROM,C16,C19,yes,N,32,,24220,bmse001281,BMET001281
33,covalent,SING,C16,C22,no,N,33,,24220,bmse001281,BMET001281
34,covalent,SING,C17,C15,no,N,34,,24220,bmse001281,BMET001281
35,covalent,SING,C17,C18,no,N,35,,24220,bmse001281,BMET001281
36,covalent,SING,C17,H52,no,N,36,,24220,bmse001281,BMET001281
37,covalent,SING,C18,C12,no,N,37,,24220,bmse001281,BMET001281
38,covalent,SING,C18,H53,no,N,38,,24220,bmse001281,BMET001281
39,covalent,AROM,C19,C13,yes,N,39,,24220,bmse001281,BMET001281
40,covalent,AROM,C20,C14,yes,N,40,,24220,bmse001281,BMET001281
41,covalent,AROM,C21,C20,yes,N,41,,24220,bmse001281,BMET001281
42,covalent,SING,N23,C1,no,N,42,,24220,bmse001281,BMET001281
43,covalent,SING,N23,C8,no,N,43,,24220,bmse001281,BMET001281
44,covalent,SING,N23,C17,no,N,44,,24220,bmse001281,BMET001281
45,carbonyl,DOUB,O24,C22,no,N,45,,24220,bmse001281,BMET001281
46,covalent,SING,O25,C2,no,N,46,,24220,bmse001281,BMET001281
47,covalent,SING,O25,C13,no,N,47,,24220,bmse001281,BMET001281
48,covalent,SING,O26,C3,no,N,48,,24220,bmse001281,BMET001281
49,covalent,SING,O26,C19,no,N,49,,24220,bmse001281,BMET001281
50,covalent,SING,O27,C4,no,N,50,,24220,bmse001281,BMET001281
51,covalent,SING,O27,C21,no,N,51,,24220,bmse001281,BMET001281
52,covalent,SING,O28,C10,no,N,52,,24220,bmse001281,BMET001281
53,covalent,SING,O28,C14,no,N,53,,24220,bmse001281,BMET001281
54,covalent,SING,O29,C10,no,N,54,,24220,bmse001281,BMET001281
55,covalent,SING,O29,C20,no,N,55,,24220,bmse001281,BMET001281
56,covalent,SING,O30,C18,no,N,56,,24220,bmse001281,BMET001281
57,ester,SING,O30,C22,no,N,57,,24220,bmse001281,BMET001281
1,covalent,SING,C1,H20,no,N,1,,24244,bmse001282,BMET001282
2,covalent,SING,C1,H21,no,N,2,,24244,bmse001282,BMET001282
3,covalent,SING,C1,H22,no,N,3,,24244,bmse001282,BMET001282
4,covalent,SING,C2,H23,no,N,4,,24244,bmse001282,BMET001282
5,covalent,SING,C2,H24,no,N,5,,24244,bmse001282,BMET001282
6,covalent,SING,C2,H25,no,N,6,,24244,bmse001282,BMET001282
7,covalent,AROM,C3,C5,yes,N,7,,24244,bmse001282,BMET001282
8,covalent,SING,C3,H26,no,N,8,,24244,bmse001282,BMET001282
9,covalent,AROM,C4,C6,yes,N,9,,24244,bmse001282,BMET001282
10,covalent,SING,C4,H27,no,N,10,,24244,bmse001282,BMET001282
11,covalent,SING,C5,H28,no,N,11,,24244,bmse001282,BMET001282
12,covalent,AROM,C6,C11,yes,N,12,,24244,bmse001282,BMET001282
13,covalent,SING,C6,H29,no,N,13,,24244,bmse001282,BMET001282
14,covalent,SING,C7,C1,no,N,14,,24244,bmse001282,BMET001282
15,covalent,SING,C8,C2,no,N,15,,24244,bmse001282,BMET001282
16,covalent,AROM,C9,C3,yes,N,16,,24244,bmse001282,BMET001282
17,covalent,AROM,C9,C4,yes,N,17,,24244,bmse001282,BMET001282
18,covalent,AROM,C9,C12,yes,N,18,,24244,bmse001282,BMET001282
19,covalent,AROM,C10,C5,yes,N,19,,24244,bmse001282,BMET001282
20,covalent,AROM,C12,C13,yes,N,20,,24244,bmse001282,BMET001282
21,covalent,AROM,C13,C10,yes,N,21,,24244,bmse001282,BMET001282
22,carbonyl,DOUB,O14,C7,no,N,22,,24244,bmse001282,BMET001282
23,carbonyl,DOUB,O15,C8,no,N,23,,24244,bmse001282,BMET001282
24,carbonyl,DOUB,O16,C11,no,N,24,,24244,bmse001282,BMET001282
25,ester,SING,O17,C7,no,N,25,,24244,bmse001282,BMET001282
26,covalent,SING,O17,C10,no,N,26,,24244,bmse001282,BMET001282
27,ester,SING,O18,C8,no,N,27,,24244,bmse001282,BMET001282
28,covalent,SING,O18,C13,no,N,28,,24244,bmse001282,BMET001282
29,ester,AROM,O19,C11,yes,N,29,,24244,bmse001282,BMET001282
30,covalent,AROM,O19,C12,yes,N,30,,24244,bmse001282,BMET001282
1,covalent,SING,C1,H23,no,N,1,,24268,bmse001283,BMET001283
2,covalent,SING,C1,H24,no,N,2,,24268,bmse001283,BMET001283
3,covalent,SING,C1,H25,no,N,3,,24268,bmse001283,BMET001283
4,covalent,SING,C2,H26,no,N,4,,24268,bmse001283,BMET001283
5,covalent,SING,C2,H27,no,N,5,,24268,bmse001283,BMET001283
6,covalent,SING,C2,H28,no,N,6,,24268,bmse001283,BMET001283
7,covalent,SING,C3,H29,no,N,7,,24268,bmse001283,BMET001283
8,covalent,SING,C3,H30,no,N,8,,24268,bmse001283,BMET001283
9,covalent,SING,C3,H31,no,N,9,,24268,bmse001283,BMET001283
10,covalent,SING,C4,H32,no,N,10,,24268,bmse001283,BMET001283
11,covalent,SING,C4,H33,no,N,11,,24268,bmse001283,BMET001283
12,covalent,SING,C5,C4,no,N,12,,24268,bmse001283,BMET001283
13,covalent,SING,C5,H34,no,N,13,,24268,bmse001283,BMET001283
14,covalent,SING,C6,C12,no,N,14,,24268,bmse001283,BMET001283
15,covalent,SING,C6,H35,no,N,15,,24268,bmse001283,BMET001283
16,covalent,SING,C7,C6,no,N,16,,24268,bmse001283,BMET001283
17,covalent,SING,C7,C10,no,N,17,,24268,bmse001283,BMET001283
18,covalent,SING,C7,H36,no,N,18,,24268,bmse001283,BMET001283
19,covalent,SING,C8,C6,no,N,19,,24268,bmse001283,BMET001283
20,covalent,SING,C8,H37,no,N,20,,24268,bmse001283,BMET001283
21,covalent,SING,C9,C8,no,N,21,,24268,bmse001283,BMET001283
22,covalent,SING,C9,H38,no,N,22,,24268,bmse001283,BMET001283
23,covalent,SING,C12,C1,no,N,23,,24268,bmse001283,BMET001283
24,covalent,SING,C12,C2,no,N,24,,24268,bmse001283,BMET001283
25,covalent,SING,C13,C3,no,N,25,,24268,bmse001283,BMET001283
26,covalent,SING,C13,C9,no,N,26,,24268,bmse001283,BMET001283
27,covalent,SING,C13,C14,no,N,27,,24268,bmse001283,BMET001283
28,covalent,SING,C13,C15,no,N,28,,24268,bmse001283,BMET001283
29,covalent,SING,C14,C4,no,N,29,,24268,bmse001283,BMET001283
30,covalent,SING,C14,C7,no,N,30,,24268,bmse001283,BMET001283
31,covalent,SING,C15,C5,no,N,31,,24268,bmse001283,BMET001283
32,covalent,SING,C15,C11,no,N,32,,24268,bmse001283,BMET001283
33,carbonyl,DOUB,O16,C10,no,N,33,,24268,bmse001283,BMET001283
34,carbonyl,DOUB,O17,C11,no,N,34,,24268,bmse001283,BMET001283
35,covalent,SING,O18,C12,no,N,35,,24268,bmse001283,BMET001283
36,covalent,SING,O18,H39,no,N,36,,24268,bmse001283,BMET001283
37,covalent,SING,O19,C14,no,N,37,,24268,bmse001283,BMET001283
38,covalent,SING,O19,H40,no,N,38,,24268,bmse001283,BMET001283
39,covalent,SING,O20,C8,no,N,39,,24268,bmse001283,BMET001283
40,ester,SING,O20,C10,no,N,40,,24268,bmse001283,BMET001283
41,covalent,SING,O21,C9,no,N,41,,24268,bmse001283,BMET001283
42,ester,SING,O21,C11,no,N,42,,24268,bmse001283,BMET001283
43,covalent,SING,O22,C5,no,N,43,,24268,bmse001283,BMET001283
44,covalent,SING,O22,C15,no,N,44,,24268,bmse001283,BMET001283
1,covalent,SING,C1,H32,no,N,1,,24292,bmse001284,BMET001284
2,covalent,SING,C1,H33,no,N,2,,24292,bmse001284,BMET001284
3,covalent,SING,C1,H34,no,N,3,,24292,bmse001284,BMET001284
4,covalent,SING,C2,H35,no,N,4,,24292,bmse001284,BMET001284
5,covalent,SING,C2,H36,no,N,5,,24292,bmse001284,BMET001284
6,covalent,SING,C2,H37,no,N,6,,24292,bmse001284,BMET001284
7,covalent,SING,C3,H38,no,N,7,,24292,bmse001284,BMET001284
8,covalent,SING,C3,H39,no,N,8,,24292,bmse001284,BMET001284
9,covalent,SING,C3,H40,no,N,9,,24292,bmse001284,BMET001284
10,covalent,SING,C4,H41,no,N,10,,24292,bmse001284,BMET001284
11,covalent,SING,C4,H42,no,N,11,,24292,bmse001284,BMET001284
12,covalent,SING,C4,H43,no,N,12,,24292,bmse001284,BMET001284
13,covalent,DOUB,C5,C13,no,N,13,,24292,bmse001284,BMET001284
14,covalent,SING,C5,H44,no,N,14,,24292,bmse001284,BMET001284
15,covalent,AROM,C6,C8,yes,N,15,,24292,bmse001284,BMET001284
16,covalent,SING,C6,H45,no,N,16,,24292,bmse001284,BMET001284
17,covalent,SING,C7,C5,no,N,17,,24292,bmse001284,BMET001284
18,covalent,SING,C7,H46,no,N,18,,24292,bmse001284,BMET001284
19,covalent,SING,C7,H47,no,N,19,,24292,bmse001284,BMET001284
20,covalent,AROM,C8,C18,yes,N,20,,24292,bmse001284,BMET001284
21,covalent,SING,C8,H48,no,N,21,,24292,bmse001284,BMET001284
22,covalent,SING,C9,H49,no,N,22,,24292,bmse001284,BMET001284
23,covalent,DOUB,C10,C9,no,N,23,,24292,bmse001284,BMET001284
24,covalent,SING,C10,H50,no,N,24,,24292,bmse001284,BMET001284
25,covalent,AROM,C11,C19,yes,N,25,,24292,bmse001284,BMET001284
26,covalent,SING,C11,H51,no,N,26,,24292,bmse001284,BMET001284
27,covalent,SING,C12,H52,no,N,27,,24292,bmse001284,BMET001284
28,covalent,SING,C13,C1,no,N,28,,24292,bmse001284,BMET001284
29,covalent,SING,C13,C2,no,N,29,,24292,bmse001284,BMET001284
30,covalent,AROM,C14,C6,yes,N,30,,24292,bmse001284,BMET001284
31,covalent,AROM,C14,C11,yes,N,31,,24292,bmse001284,BMET001284
32,covalent,SING,C15,C7,no,N,32,,24292,bmse001284,BMET001284
33,covalent,AROM,C15,C21,yes,N,33,,24292,bmse001284,BMET001284
34,covalent,SING,C16,C9,no,N,34,,24292,bmse001284,BMET001284
35,covalent,AROM,C16,C24,yes,N,35,,24292,bmse001284,BMET001284
36,covalent,AROM,C17,C12,yes,N,36,,24292,bmse001284,BMET001284
37,covalent,SING,C17,C14,no,N,37,,24292,bmse001284,BMET001284
38,covalent,AROM,C19,C18,yes,N,38,,24292,bmse001284,BMET001284
39,covalent,AROM,C20,C21,yes,N,39,,24292,bmse001284,BMET001284
40,covalent,AROM,C20,C22,yes,N,40,,24292,bmse001284,BMET001284
41,covalent,AROM,C22,C17,yes,N,41,,24292,bmse001284,BMET001284
42,covalent,AROM,C23,C15,yes,N,42,,24292,bmse001284,BMET001284
43,covalent,AROM,C23,C16,yes,N,43,,24292,bmse001284,BMET001284
44,covalent,AROM,C24,C20,yes,N,44,,24292,bmse001284,BMET001284
45,covalent,SING,C25,C3,no,N,45,,24292,bmse001284,BMET001284
46,covalent,SING,C25,C4,no,N,46,,24292,bmse001284,BMET001284
47,covalent,SING,C25,C10,no,N,47,,24292,bmse001284,BMET001284
48,covalent,SING,O26,C18,no,N,48,,24292,bmse001284,BMET001284
49,covalent,SING,O26,H53,no,N,49,,24292,bmse001284,BMET001284
50,covalent,SING,O27,C19,no,N,50,,24292,bmse001284,BMET001284
51,covalent,SING,O27,H54,no,N,51,,24292,bmse001284,BMET001284
52,covalent,SING,O28,C21,no,N,52,,24292,bmse001284,BMET001284
53,covalent,SING,O28,H55,no,N,53,,24292,bmse001284,BMET001284
54,carbonyl,DOUB,O29,C22,no,N,54,,24292,bmse001284,BMET001284
55,covalent,AROM,O30,C12,yes,N,55,,24292,bmse001284,BMET001284
56,covalent,AROM,O30,C24,yes,N,56,,24292,bmse001284,BMET001284
57,covalent,SING,O31,C23,no,N,57,,24292,bmse001284,BMET001284
58,covalent,SING,O31,C25,no,N,58,,24292,bmse001284,BMET001284
1,covalent,SING,C1,H18,no,N,1,,24316,bmse001285,BMET001285
2,covalent,SING,C1,H19,no,N,2,,24316,bmse001285,BMET001285
3,covalent,SING,C1,H20,no,N,3,,24316,bmse001285,BMET001285
4,covalent,SING,C2,H21,no,N,4,,24316,bmse001285,BMET001285
5,covalent,SING,C2,H22,no,N,5,,24316,bmse001285,BMET001285
6,covalent,SING,C2,H23,no,N,6,,24316,bmse001285,BMET001285
7,covalent,SING,C3,C1,no,N,7,,24316,bmse001285,BMET001285
8,covalent,SING,C3,H24,no,N,8,,24316,bmse001285,BMET001285
9,covalent,DOUB,C4,C3,no,E,9,,24316,bmse001285,BMET001285
10,covalent,SING,C4,H25,no,N,10,,24316,bmse001285,BMET001285
11,covalent,AROM,C5,C7,yes,N,11,,24316,bmse001285,BMET001285
12,covalent,SING,C5,H26,no,N,12,,24316,bmse001285,BMET001285
13,covalent,SING,C6,C2,no,N,13,,24316,bmse001285,BMET001285
14,covalent,SING,C6,C10,no,N,14,,24316,bmse001285,BMET001285
15,covalent,SING,C6,H27,no,N,15,,24316,bmse001285,BMET001285
16,covalent,SING,C7,C4,no,N,16,,24316,bmse001285,BMET001285
17,covalent,AROM,C8,C5,yes,N,17,,24316,bmse001285,BMET001285
18,covalent,AROM,C9,C8,yes,N,18,,24316,bmse001285,BMET001285
19,covalent,AROM,C9,C12,yes,N,19,,24316,bmse001285,BMET001285
20,covalent,SING,C10,C11,no,N,20,,24316,bmse001285,BMET001285
21,covalent,SING,C10,H28,no,N,21,,24316,bmse001285,BMET001285
22,covalent,SING,C11,C9,no,N,22,,24316,bmse001285,BMET001285
23,covalent,SING,O13,C10,no,N,23,,24316,bmse001285,BMET001285
24,covalent,SING,O13,H29,no,N,24,,24316,bmse001285,BMET001285
25,carbonyl,DOUB,O14,C11,no,N,25,,24316,bmse001285,BMET001285
26,carbonyl,DOUB,O15,C12,no,N,26,,24316,bmse001285,BMET001285
27,covalent,SING,O16,C6,no,N,27,,24316,bmse001285,BMET001285
28,covalent,SING,O16,C8,no,N,28,,24316,bmse001285,BMET001285
29,covalent,AROM,O17,C7,yes,N,29,,24316,bmse001285,BMET001285
30,ester,AROM,O17,C12,yes,N,30,,24316,bmse001285,BMET001285
1,covalent,SING,C1,H24,no,N,1,,24340,bmse001286,BMET001286
2,covalent,SING,C1,H25,no,N,2,,24340,bmse001286,BMET001286
3,covalent,SING,C1,H26,no,N,3,,24340,bmse001286,BMET001286
4,covalent,SING,C2,H27,no,N,4,,24340,bmse001286,BMET001286
5,covalent,SING,C2,H28,no,N,5,,24340,bmse001286,BMET001286
6,covalent,SING,C2,H29,no,N,6,,24340,bmse001286,BMET001286
7,covalent,SING,C3,H30,no,N,7,,24340,bmse001286,BMET001286
8,covalent,SING,C3,H31,no,N,8,,24340,bmse001286,BMET001286
9,covalent,SING,C3,H32,no,N,9,,24340,bmse001286,BMET001286
10,covalent,SING,C4,H33,no,N,10,,24340,bmse001286,BMET001286
11,covalent,SING,C4,H34,no,N,11,,24340,bmse001286,BMET001286
12,covalent,SING,C4,H35,no,N,12,,24340,bmse001286,BMET001286
13,covalent,SING,C5,H36,no,N,13,,24340,bmse001286,BMET001286
14,covalent,SING,C5,H37,no,N,14,,24340,bmse001286,BMET001286
15,covalent,SING,C6,C15,no,N,15,,24340,bmse001286,BMET001286
16,covalent,SING,C6,H38,no,N,16,,24340,bmse001286,BMET001286
17,covalent,SING,C6,H39,no,N,17,,24340,bmse001286,BMET001286
18,covalent,AROM,C7,C11,yes,N,18,,24340,bmse001286,BMET001286
19,covalent,SING,C7,H40,no,N,19,,24340,bmse001286,BMET001286
20,covalent,SING,C8,C5,no,N,20,,24340,bmse001286,BMET001286
21,covalent,SING,C8,H41,no,N,21,,24340,bmse001286,BMET001286
22,covalent,SING,C8,H42,no,N,22,,24340,bmse001286,BMET001286
23,covalent,SING,C9,C5,no,N,23,,24340,bmse001286,BMET001286
24,covalent,SING,C9,H43,no,N,24,,24340,bmse001286,BMET001286
25,covalent,SING,C9,H44,no,N,25,,24340,bmse001286,BMET001286
26,covalent,SING,C10,C6,no,N,26,,24340,bmse001286,BMET001286
27,covalent,SING,C10,H45,no,N,27,,24340,bmse001286,BMET001286
28,covalent,SING,C10,H46,no,N,28,,24340,bmse001286,BMET001286
29,covalent,SING,C11,H47,no,N,29,,24340,bmse001286,BMET001286
30,covalent,SING,C12,C16,no,N,30,,24340,bmse001286,BMET001286
31,covalent,SING,C12,H48,no,N,31,,24340,bmse001286,BMET001286
32,covalent,SING,C12,H49,no,N,32,,24340,bmse001286,BMET001286
33,covalent,SING,C13,H50,no,N,33,,24340,bmse001286,BMET001286
34,covalent,SING,C14,C1,no,N,34,,24340,bmse001286,BMET001286
35,covalent,SING,C14,C16,no,N,35,,24340,bmse001286,BMET001286
36,covalent,SING,C14,H51,no,N,36,,24340,bmse001286,BMET001286
37,covalent,AROM,C15,C7,yes,N,37,,24340,bmse001286,BMET001286
38,covalent,AROM,C15,C13,yes,N,38,,24340,bmse001286,BMET001286
39,covalent,SING,C17,C12,no,N,39,,24340,bmse001286,BMET001286
40,covalent,SING,C17,C18,no,N,40,,24340,bmse001286,BMET001286
41,covalent,SING,C17,H52,no,N,41,,24340,bmse001286,BMET001286
42,covalent,SING,C18,C2,no,N,42,,24340,bmse001286,BMET001286
43,covalent,SING,C18,C3,no,N,43,,24340,bmse001286,BMET001286
44,covalent,SING,C18,C8,no,N,44,,24340,bmse001286,BMET001286
45,covalent,SING,C19,C4,no,N,45,,24340,bmse001286,BMET001286
46,covalent,SING,C19,C9,no,N,46,,24340,bmse001286,BMET001286
47,covalent,SING,C19,C17,no,N,47,,24340,bmse001286,BMET001286
48,covalent,SING,C19,C20,no,N,48,,24340,bmse001286,BMET001286
49,covalent,SING,C20,C10,no,N,49,,24340,bmse001286,BMET001286
50,covalent,SING,C20,C14,no,N,50,,24340,bmse001286,BMET001286
51,carbonyl,DOUB,O21,C16,no,N,51,,24340,bmse001286,BMET001286
52,covalent,SING,O22,C20,no,N,52,,24340,bmse001286,BMET001286
53,covalent,SING,O22,H53,no,N,53,,24340,bmse001286,BMET001286
54,covalent,AROM,O23,C11,yes,N,54,,24340,bmse001286,BMET001286
55,covalent,AROM,O23,C13,yes,N,55,,24340,bmse001286,BMET001286
1,covalent,SING,C1,H23,no,N,1,,24364,bmse001287,BMET001287
2,covalent,SING,C1,H24,no,N,2,,24364,bmse001287,BMET001287
3,covalent,SING,C1,H25,no,N,3,,24364,bmse001287,BMET001287
4,covalent,SING,C2,H26,no,N,4,,24364,bmse001287,BMET001287
5,covalent,SING,C2,H27,no,N,5,,24364,bmse001287,BMET001287
6,covalent,SING,C2,H28,no,N,6,,24364,bmse001287,BMET001287
7,covalent,SING,C3,H29,no,N,7,,24364,bmse001287,BMET001287
8,covalent,SING,C3,H30,no,N,8,,24364,bmse001287,BMET001287
9,covalent,SING,C3,H31,no,N,9,,24364,bmse001287,BMET001287
10,covalent,SING,C4,H32,no,N,10,,24364,bmse001287,BMET001287
11,covalent,SING,C4,H33,no,N,11,,24364,bmse001287,BMET001287
12,covalent,SING,C4,H34,no,N,12,,24364,bmse001287,BMET001287
13,covalent,SING,C5,H35,no,N,13,,24364,bmse001287,BMET001287
14,covalent,SING,C5,H36,no,N,14,,24364,bmse001287,BMET001287
15,covalent,SING,C6,H37,no,N,15,,24364,bmse001287,BMET001287
16,covalent,SING,C7,C15,no,N,16,,24364,bmse001287,BMET001287
17,covalent,SING,C7,H38,no,N,17,,24364,bmse001287,BMET001287
18,covalent,SING,C7,H39,no,N,18,,24364,bmse001287,BMET001287
19,covalent,AROM,C8,C6,yes,N,19,,24364,bmse001287,BMET001287
20,covalent,SING,C8,H40,no,N,20,,24364,bmse001287,BMET001287
21,covalent,SING,C9,C7,no,N,21,,24364,bmse001287,BMET001287
22,covalent,SING,C9,H41,no,N,22,,24364,bmse001287,BMET001287
23,covalent,SING,C9,H42,no,N,23,,24364,bmse001287,BMET001287
24,covalent,SING,C10,C5,no,N,24,,24364,bmse001287,BMET001287
25,covalent,SING,C10,H43,no,N,25,,24364,bmse001287,BMET001287
26,covalent,SING,C10,H44,no,N,26,,24364,bmse001287,BMET001287
27,covalent,SING,C11,C5,no,N,27,,24364,bmse001287,BMET001287
28,covalent,SING,C11,H45,no,N,28,,24364,bmse001287,BMET001287
29,covalent,SING,C11,H46,no,N,29,,24364,bmse001287,BMET001287
30,covalent,AROM,C12,C14,yes,N,30,,24364,bmse001287,BMET001287
31,covalent,SING,C12,H47,no,N,31,,24364,bmse001287,BMET001287
32,covalent,SING,C13,C1,no,N,32,,24364,bmse001287,BMET001287
33,covalent,SING,C13,C2,no,N,33,,24364,bmse001287,BMET001287
34,covalent,SING,C13,H48,no,N,34,,24364,bmse001287,BMET001287
35,covalent,AROM,C14,C6,yes,N,35,,24364,bmse001287,BMET001287
36,covalent,SING,C14,C13,no,N,36,,24364,bmse001287,BMET001287
37,covalent,AROM,C15,C12,yes,N,37,,24364,bmse001287,BMET001287
38,covalent,AROM,C16,C8,yes,N,38,,24364,bmse001287,BMET001287
39,covalent,AROM,C16,C15,yes,N,39,,24364,bmse001287,BMET001287
40,covalent,SING,C17,C9,no,N,40,,24364,bmse001287,BMET001287
41,covalent,SING,C17,C19,no,N,41,,24364,bmse001287,BMET001287
42,covalent,SING,C17,C20,no,N,42,,24364,bmse001287,BMET001287
43,covalent,SING,C17,H49,no,N,43,,24364,bmse001287,BMET001287
44,covalent,SING,C19,C3,no,N,44,,24364,bmse001287,BMET001287
45,covalent,SING,C19,C10,no,N,45,,24364,bmse001287,BMET001287
46,covalent,SING,C19,C16,no,N,46,,24364,bmse001287,BMET001287
47,covalent,SING,C20,C4,no,N,47,,24364,bmse001287,BMET001287
48,covalent,SING,C20,C11,no,N,48,,24364,bmse001287,BMET001287
49,covalent,SING,C20,C18,no,N,49,,24364,bmse001287,BMET001287
50,ester,SING,O21,C18,no,N,50,,24364,bmse001287,BMET001287
51,covalent,SING,O21,H50,no,N,51,,24364,bmse001287,BMET001287
52,carbonyl,DOUB,O22,C18,no,N,52,,24364,bmse001287,BMET001287
1,covalent,SING,C1,H19,no,N,1,,24388,bmse001288,BMET001288
2,covalent,SING,C1,H20,no,N,2,,24388,bmse001288,BMET001288
3,covalent,SING,C1,H21,no,N,3,,24388,bmse001288,BMET001288
4,covalent,SING,C2,H22,no,N,4,,24388,bmse001288,BMET001288
5,covalent,SING,C2,H23,no,N,5,,24388,bmse001288,BMET001288
6,covalent,SING,C2,H24,no,N,6,,24388,bmse001288,BMET001288
7,covalent,SING,C3,C4,no,N,7,,24388,bmse001288,BMET001288
8,covalent,SING,C3,H25,no,N,8,,24388,bmse001288,BMET001288
9,covalent,SING,C3,H26,no,N,9,,24388,bmse001288,BMET001288
10,covalent,SING,C4,H27,no,N,10,,24388,bmse001288,BMET001288
11,covalent,SING,C4,H28,no,N,11,,24388,bmse001288,BMET001288
12,covalent,SING,C5,C12,no,N,12,,24388,bmse001288,BMET001288
13,covalent,SING,C5,H29,no,N,13,,24388,bmse001288,BMET001288
14,covalent,SING,C5,H30,no,N,14,,24388,bmse001288,BMET001288
15,covalent,SING,C6,H31,no,N,15,,24388,bmse001288,BMET001288
16,covalent,SING,C6,H32,no,N,16,,24388,bmse001288,BMET001288
17,covalent,SING,C7,H33,no,N,17,,24388,bmse001288,BMET001288
18,covalent,SING,C7,H34,no,N,18,,24388,bmse001288,BMET001288
19,covalent,SING,C8,C3,no,N,19,,24388,bmse001288,BMET001288
20,covalent,SING,C8,C14,no,N,20,,24388,bmse001288,BMET001288
21,covalent,SING,C8,H35,no,N,21,,24388,bmse001288,BMET001288
22,covalent,SING,C9,C4,no,N,22,,24388,bmse001288,BMET001288
23,covalent,SING,C9,C13,no,N,23,,24388,bmse001288,BMET001288
24,covalent,SING,C9,H36,no,N,24,,24388,bmse001288,BMET001288
25,covalent,SING,C10,C5,no,N,25,,24388,bmse001288,BMET001288
26,covalent,SING,C10,C8,no,N,26,,24388,bmse001288,BMET001288
27,covalent,SING,C10,H37,no,N,27,,24388,bmse001288,BMET001288
28,covalent,SING,C11,C6,no,N,28,,24388,bmse001288,BMET001288
29,covalent,SING,C11,C12,no,N,29,,24388,bmse001288,BMET001288
30,covalent,SING,C11,H38,no,N,30,,24388,bmse001288,BMET001288
31,covalent,SING,C14,C1,no,N,31,,24388,bmse001288,BMET001288
32,covalent,SING,C14,C2,no,N,32,,24388,bmse001288,BMET001288
33,covalent,SING,C14,C7,no,N,33,,24388,bmse001288,BMET001288
34,covalent,SING,C15,C7,no,N,34,,24388,bmse001288,BMET001288
35,covalent,SING,C15,C9,no,N,35,,24388,bmse001288,BMET001288
36,covalent,SING,C15,C10,no,N,36,,24388,bmse001288,BMET001288
37,covalent,SING,C15,C11,no,N,37,,24388,bmse001288,BMET001288
38,carbonyl,DOUB,O16,C12,no,N,38,,24388,bmse001288,BMET001288
39,carbonyl,DOUB,O17,C13,no,N,39,,24388,bmse001288,BMET001288
40,covalent,SING,O18,C6,no,N,40,,24388,bmse001288,BMET001288
41,ester,SING,O18,C13,no,N,41,,24388,bmse001288,BMET001288
1,covalent,SING,C1,H21,no,N,1,,24412,bmse001289,BMET001289
2,covalent,SING,C1,H22,no,N,2,,24412,bmse001289,BMET001289
3,covalent,SING,C1,H23,no,N,3,,24412,bmse001289,BMET001289
4,covalent,SING,C2,H24,no,N,4,,24412,bmse001289,BMET001289
5,covalent,SING,C2,H25,no,N,5,,24412,bmse001289,BMET001289
6,covalent,SING,C2,H26,no,N,6,,24412,bmse001289,BMET001289
7,covalent,SING,C3,H27,no,N,7,,24412,bmse001289,BMET001289
8,covalent,SING,C3,H28,no,N,8,,24412,bmse001289,BMET001289
9,covalent,SING,C3,H29,no,N,9,,24412,bmse001289,BMET001289
10,covalent,SING,C4,H30,no,N,10,,24412,bmse001289,BMET001289
11,covalent,SING,C4,H31,no,N,11,,24412,bmse001289,BMET001289
12,covalent,SING,C4,H32,no,N,12,,24412,bmse001289,BMET001289
13,covalent,DOUB,C5,C10,no,N,13,,24412,bmse001289,BMET001289
14,covalent,SING,C5,H33,no,N,14,,24412,bmse001289,BMET001289
15,covalent,SING,C6,C5,no,N,15,,24412,bmse001289,BMET001289
16,covalent,SING,C6,H34,no,N,16,,24412,bmse001289,BMET001289
17,covalent,SING,C6,H35,no,N,17,,24412,bmse001289,BMET001289
18,covalent,SING,C7,H36,no,N,18,,24412,bmse001289,BMET001289
19,covalent,SING,C7,H37,no,N,19,,24412,bmse001289,BMET001289
20,covalent,SING,C8,C7,no,N,20,,24412,bmse001289,BMET001289
21,covalent,SING,C8,H38,no,N,21,,24412,bmse001289,BMET001289
22,covalent,SING,C8,H39,no,N,22,,24412,bmse001289,BMET001289
23,covalent,SING,C9,H40,no,N,23,,24412,bmse001289,BMET001289
24,covalent,SING,C9,H41,no,N,24,,24412,bmse001289,BMET001289
25,covalent,SING,C10,C1,no,N,25,,24412,bmse001289,BMET001289
26,covalent,SING,C10,C2,no,N,26,,24412,bmse001289,BMET001289
27,covalent,SING,C11,C7,no,N,27,,24412,bmse001289,BMET001289
28,covalent,SING,C11,H42,no,N,28,,24412,bmse001289,BMET001289
29,covalent,SING,C12,C6,no,N,29,,24412,bmse001289,BMET001289
30,covalent,SING,C12,H43,no,N,30,,24412,bmse001289,BMET001289
31,covalent,SING,C13,C11,no,N,31,,24412,bmse001289,BMET001289
32,covalent,SING,C13,H44,no,N,32,,24412,bmse001289,BMET001289
33,covalent,SING,C14,C13,no,N,33,,24412,bmse001289,BMET001289
34,covalent,SING,C14,C15,no,N,34,,24412,bmse001289,BMET001289
35,covalent,SING,C14,C16,no,N,35,,24412,bmse001289,BMET001289
36,covalent,SING,C14,H45,no,N,36,,24412,bmse001289,BMET001289
37,covalent,SING,C15,C3,no,N,37,,24412,bmse001289,BMET001289
38,covalent,SING,C15,C12,no,N,38,,24412,bmse001289,BMET001289
39,covalent,SING,C16,C8,no,N,39,,24412,bmse001289,BMET001289
40,covalent,SING,C16,C9,no,N,40,,24412,bmse001289,BMET001289
41,covalent,SING,O17,C11,no,N,41,,24412,bmse001289,BMET001289
42,covalent,SING,O17,H46,no,N,42,,24412,bmse001289,BMET001289
43,covalent,SING,O18,C4,no,N,43,,24412,bmse001289,BMET001289
44,covalent,SING,O18,C13,no,N,44,,24412,bmse001289,BMET001289
45,covalent,SING,O19,C9,no,N,45,,24412,bmse001289,BMET001289
46,covalent,SING,O19,C16,no,N,46,,24412,bmse001289,BMET001289
47,covalent,SING,O20,C12,no,N,47,,24412,bmse001289,BMET001289
48,covalent,SING,O20,C15,no,N,48,,24412,bmse001289,BMET001289
1,covalent,SING,C1,H21,no,N,1,,24436,bmse001290,BMET001290
2,covalent,SING,C1,H22,no,N,2,,24436,bmse001290,BMET001290
3,covalent,SING,C1,H23,no,N,3,,24436,bmse001290,BMET001290
4,covalent,AROM,C2,C9,yes,N,4,,24436,bmse001290,BMET001290
5,covalent,SING,C2,H24,no,N,5,,24436,bmse001290,BMET001290
6,covalent,AROM,C3,C10,yes,N,6,,24436,bmse001290,BMET001290
7,covalent,SING,C3,H25,no,N,7,,24436,bmse001290,BMET001290
8,covalent,AROM,C4,C2,yes,N,8,,24436,bmse001290,BMET001290
9,covalent,SING,C4,H26,no,N,9,,24436,bmse001290,BMET001290
10,covalent,AROM,C5,C3,yes,N,10,,24436,bmse001290,BMET001290
11,covalent,SING,C5,H27,no,N,11,,24436,bmse001290,BMET001290
12,covalent,AROM,C6,C9,yes,N,12,,24436,bmse001290,BMET001290
13,covalent,SING,C6,H28,no,N,13,,24436,bmse001290,BMET001290
14,covalent,AROM,C7,C10,yes,N,14,,24436,bmse001290,BMET001290
15,covalent,SING,C7,H29,no,N,15,,24436,bmse001290,BMET001290
16,covalent,SING,C8,H30,no,N,16,,24436,bmse001290,BMET001290
17,covalent,SING,C8,H31,no,N,17,,24436,bmse001290,BMET001290
18,covalent,AROM,C11,C5,yes,N,18,,24436,bmse001290,BMET001290
19,covalent,AROM,C11,C15,yes,N,19,,24436,bmse001290,BMET001290
20,covalent,AROM,C12,C4,yes,N,20,,24436,bmse001290,BMET001290
21,covalent,AROM,C12,C14,yes,N,21,,24436,bmse001290,BMET001290
22,covalent,SING,C13,C8,no,N,22,,24436,bmse001290,BMET001290
23,covalent,SING,C13,C11,no,N,23,,24436,bmse001290,BMET001290
24,covalent,SING,C13,C16,no,N,24,,24436,bmse001290,BMET001290
25,covalent,SING,C13,H32,no,N,25,,24436,bmse001290,BMET001290
26,covalent,AROM,C14,C6,yes,N,26,,24436,bmse001290,BMET001290
27,covalent,AROM,C15,C7,yes,N,27,,24436,bmse001290,BMET001290
28,covalent,SING,C16,C12,no,N,28,,24436,bmse001290,BMET001290
29,covalent,SING,C16,H33,no,N,29,,24436,bmse001290,BMET001290
30,covalent,SING,O17,C9,no,N,30,,24436,bmse001290,BMET001290
31,covalent,SING,O17,H34,no,N,31,,24436,bmse001290,BMET001290
32,covalent,SING,O18,C1,no,N,32,,24436,bmse001290,BMET001290
33,covalent,SING,O18,C10,no,N,33,,24436,bmse001290,BMET001290
34,covalent,SING,O19,C8,no,N,34,,24436,bmse001290,BMET001290
35,covalent,SING,O19,C14,no,N,35,,24436,bmse001290,BMET001290
36,covalent,SING,O20,C15,no,N,36,,24436,bmse001290,BMET001290
37,covalent,SING,O20,C16,no,N,37,,24436,bmse001290,BMET001290
1,covalent,SING,C1,H27,no,N,1,,24460,bmse001291,BMET001291
2,covalent,SING,C1,H28,no,N,2,,24460,bmse001291,BMET001291
3,covalent,SING,C1,H29,no,N,3,,24460,bmse001291,BMET001291
4,covalent,SING,C2,H30,no,N,4,,24460,bmse001291,BMET001291
5,covalent,SING,C2,H31,no,N,5,,24460,bmse001291,BMET001291
6,covalent,SING,C2,H32,no,N,6,,24460,bmse001291,BMET001291
7,covalent,SING,C3,H33,no,N,7,,24460,bmse001291,BMET001291
8,covalent,SING,C3,H34,no,N,8,,24460,bmse001291,BMET001291
9,covalent,SING,C3,H35,no,N,9,,24460,bmse001291,BMET001291
10,covalent,SING,C4,H36,no,N,10,,24460,bmse001291,BMET001291
11,covalent,SING,C4,H37,no,N,11,,24460,bmse001291,BMET001291
12,covalent,SING,C4,H38,no,N,12,,24460,bmse001291,BMET001291
13,covalent,SING,C5,H39,no,N,13,,24460,bmse001291,BMET001291
14,covalent,SING,C5,H40,no,N,14,,24460,bmse001291,BMET001291
15,covalent,SING,C5,H41,no,N,15,,24460,bmse001291,BMET001291
16,covalent,DOUB,C6,C7,no,N,16,,24460,bmse001291,BMET001291
17,covalent,SING,C6,H42,no,N,17,,24460,bmse001291,BMET001291
18,covalent,SING,C7,H43,no,N,18,,24460,bmse001291,BMET001291
19,covalent,DOUB,C8,C9,no,N,19,,24460,bmse001291,BMET001291
20,covalent,SING,C8,H44,no,N,20,,24460,bmse001291,BMET001291
21,covalent,SING,C9,C1,no,N,21,,24460,bmse001291,BMET001291
22,covalent,SING,C9,C2,no,N,22,,24460,bmse001291,BMET001291
23,covalent,SING,C10,C3,no,N,23,,24460,bmse001291,BMET001291
24,covalent,SING,C10,C16,no,N,24,,24460,bmse001291,BMET001291
25,covalent,SING,C10,H45,no,N,25,,24460,bmse001291,BMET001291
26,covalent,SING,C11,C4,no,N,26,,24460,bmse001291,BMET001291
27,covalent,SING,C11,C19,no,N,27,,24460,bmse001291,BMET001291
28,covalent,SING,C11,H46,no,N,28,,24460,bmse001291,BMET001291
29,covalent,SING,C12,C6,no,N,29,,24460,bmse001291,BMET001291
30,covalent,SING,C12,C10,no,N,30,,24460,bmse001291,BMET001291
31,covalent,SING,C12,H47,no,N,31,,24460,bmse001291,BMET001291
32,covalent,SING,C13,C7,no,N,32,,24460,bmse001291,BMET001291
33,covalent,SING,C14,C8,no,N,33,,24460,bmse001291,BMET001291
34,covalent,SING,C15,C11,no,N,34,,24460,bmse001291,BMET001291
35,covalent,SING,C15,C17,no,N,35,,24460,bmse001291,BMET001291
36,covalent,SING,C15,C18,no,N,36,,24460,bmse001291,BMET001291
37,covalent,SING,C15,H48,no,N,37,,24460,bmse001291,BMET001291
38,covalent,SING,C16,H49,no,N,38,,24460,bmse001291,BMET001291
39,covalent,SING,C17,C16,no,N,39,,24460,bmse001291,BMET001291
40,covalent,SING,C17,H50,no,N,40,,24460,bmse001291,BMET001291
41,covalent,SING,C18,H51,no,N,41,,24460,bmse001291,BMET001291
42,covalent,SING,C20,C5,no,N,42,,24460,bmse001291,BMET001291
43,covalent,SING,C20,C12,no,N,43,,24460,bmse001291,BMET001291
44,covalent,SING,C20,C13,no,N,44,,24460,bmse001291,BMET001291
45,covalent,SING,C20,C18,no,N,45,,24460,bmse001291,BMET001291
46,carbonyl,DOUB,O21,C13,no,N,46,,24460,bmse001291,BMET001291
47,carbonyl,DOUB,O22,C14,no,N,47,,24460,bmse001291,BMET001291
48,covalent,SING,O23,C16,no,N,48,,24460,bmse001291,BMET001291
49,covalent,SING,O23,H52,no,N,49,,24460,bmse001291,BMET001291
50,carbonyl,DOUB,O24,C19,no,N,50,,24460,bmse001291,BMET001291
51,ester,SING,O25,C14,no,N,51,,24460,bmse001291,BMET001291
52,covalent,SING,O25,C18,no,N,52,,24460,bmse001291,BMET001291
53,covalent,SING,O26,C17,no,N,53,,24460,bmse001291,BMET001291
54,ester,SING,O26,C19,no,N,54,,24460,bmse001291,BMET001291
1,covalent,SING,C1,H18,no,N,1,,24484,bmse001292,BMET001292
2,covalent,SING,C1,H19,no,N,2,,24484,bmse001292,BMET001292
3,covalent,SING,C1,H20,no,N,3,,24484,bmse001292,BMET001292
4,covalent,SING,C2,H21,no,N,4,,24484,bmse001292,BMET001292
5,covalent,SING,C2,H22,no,N,5,,24484,bmse001292,BMET001292
6,covalent,SING,C2,H23,no,N,6,,24484,bmse001292,BMET001292
7,covalent,SING,C3,H24,no,N,7,,24484,bmse001292,BMET001292
8,covalent,SING,C3,H25,no,N,8,,24484,bmse001292,BMET001292
9,covalent,SING,C3,H26,no,N,9,,24484,bmse001292,BMET001292
10,covalent,SING,C4,H27,no,N,10,,24484,bmse001292,BMET001292
11,covalent,SING,C4,H28,no,N,11,,24484,bmse001292,BMET001292
12,covalent,SING,C5,C10,no,N,12,,24484,bmse001292,BMET001292
13,covalent,SING,C5,H29,no,N,13,,24484,bmse001292,BMET001292
14,covalent,SING,C5,H30,no,N,14,,24484,bmse001292,BMET001292
15,covalent,SING,C6,C5,no,N,15,,24484,bmse001292,BMET001292
16,covalent,SING,C6,H31,no,N,16,,24484,bmse001292,BMET001292
17,covalent,SING,C6,H32,no,N,17,,24484,bmse001292,BMET001292
18,covalent,SING,C7,C4,no,N,18,,24484,bmse001292,BMET001292
19,covalent,SING,C7,H33,no,N,19,,24484,bmse001292,BMET001292
20,covalent,SING,C7,H34,no,N,20,,24484,bmse001292,BMET001292
21,covalent,SING,C8,C4,no,N,21,,24484,bmse001292,BMET001292
22,covalent,SING,C8,H35,no,N,22,,24484,bmse001292,BMET001292
23,covalent,SING,C8,H36,no,N,23,,24484,bmse001292,BMET001292
24,covalent,SING,C9,H37,no,N,24,,24484,bmse001292,BMET001292
25,covalent,SING,C9,H38,no,N,25,,24484,bmse001292,BMET001292
26,covalent,SING,C10,C13,no,N,26,,24484,bmse001292,BMET001292
27,covalent,SING,C11,C9,no,N,27,,24484,bmse001292,BMET001292
28,covalent,DOUB,C11,C10,no,N,28,,24484,bmse001292,BMET001292
29,covalent,SING,C12,C6,no,N,29,,24484,bmse001292,BMET001292
30,covalent,SING,C12,C14,no,N,30,,24484,bmse001292,BMET001292
31,covalent,SING,C12,C15,no,N,31,,24484,bmse001292,BMET001292
32,covalent,SING,C12,H39,no,N,32,,24484,bmse001292,BMET001292
33,covalent,SING,C14,C1,no,N,33,,24484,bmse001292,BMET001292
34,covalent,SING,C14,C2,no,N,34,,24484,bmse001292,BMET001292
35,covalent,SING,C14,C7,no,N,35,,24484,bmse001292,BMET001292
36,covalent,SING,C15,C3,no,N,36,,24484,bmse001292,BMET001292
37,covalent,SING,C15,C8,no,N,37,,24484,bmse001292,BMET001292
38,covalent,SING,C15,C11,no,N,38,,24484,bmse001292,BMET001292
39,carbonyl,DOUB,O16,C13,no,N,39,,24484,bmse001292,BMET001292
40,covalent,SING,O17,C9,no,N,40,,24484,bmse001292,BMET001292
41,ester,SING,O17,C13,no,N,41,,24484,bmse001292,BMET001292
1,covalent,SING,C1,H21,no,N,1,,24508,bmse001293,BMET001293
2,covalent,SING,C1,H22,no,N,2,,24508,bmse001293,BMET001293
3,covalent,SING,C1,H23,no,N,3,,24508,bmse001293,BMET001293
4,covalent,SING,C2,H24,no,N,4,,24508,bmse001293,BMET001293
5,covalent,SING,C2,H25,no,N,5,,24508,bmse001293,BMET001293
6,covalent,SING,C2,H26,no,N,6,,24508,bmse001293,BMET001293
7,covalent,SING,C3,H27,no,N,7,,24508,bmse001293,BMET001293
8,covalent,SING,C3,H28,no,N,8,,24508,bmse001293,BMET001293
9,covalent,SING,C3,H29,no,N,9,,24508,bmse001293,BMET001293
10,covalent,SING,C4,C6,no,N,10,,24508,bmse001293,BMET001293
11,covalent,SING,C4,H30,no,N,11,,24508,bmse001293,BMET001293
12,covalent,SING,C4,H31,no,N,12,,24508,bmse001293,BMET001293
13,covalent,SING,C5,C4,no,N,13,,24508,bmse001293,BMET001293
14,covalent,SING,C5,H32,no,N,14,,24508,bmse001293,BMET001293
15,covalent,SING,C5,H33,no,N,15,,24508,bmse001293,BMET001293
16,covalent,SING,C6,C9,no,N,16,,24508,bmse001293,BMET001293
17,covalent,SING,C6,H34,no,N,17,,24508,bmse001293,BMET001293
18,covalent,SING,C6,H35,no,N,18,,24508,bmse001293,BMET001293
19,covalent,SING,C7,C5,no,N,19,,24508,bmse001293,BMET001293
20,covalent,SING,C7,H36,no,N,20,,24508,bmse001293,BMET001293
21,covalent,SING,C7,H37,no,N,21,,24508,bmse001293,BMET001293
22,covalent,SING,C8,H38,no,N,22,,24508,bmse001293,BMET001293
23,covalent,SING,C9,C1,no,N,23,,24508,bmse001293,BMET001293
24,covalent,AROM,C10,C11,yes,N,24,,24508,bmse001293,BMET001293
25,covalent,AROM,C10,C12,yes,N,25,,24508,bmse001293,BMET001293
26,covalent,AROM,N14,C8,yes,N,26,,24508,bmse001293,BMET001293
27,covalent,AROM,N14,C11,yes,N,27,,24508,bmse001293,BMET001293
28,covalent,SING,N15,C2,no,N,28,,24508,bmse001293,BMET001293
29,covalent,AROM,N15,C8,yes,N,29,,24508,bmse001293,BMET001293
30,covalent,AROM,N15,C10,yes,N,30,,24508,bmse001293,BMET001293
31,covalent,SING,N16,C3,no,N,31,,24508,bmse001293,BMET001293
32,covalent,AROM,N16,C11,yes,N,32,,24508,bmse001293,BMET001293
33,amide,AROM,N16,C13,yes,N,33,,24508,bmse001293,BMET001293
34,covalent,SING,N17,C7,no,N,34,,24508,bmse001293,BMET001293
35,amide,AROM,N17,C12,yes,N,35,,24508,bmse001293,BMET001293
36,amide,AROM,N17,C13,yes,N,36,,24508,bmse001293,BMET001293
37,carbonyl,DOUB,O18,C9,no,N,37,,24508,bmse001293,BMET001293
38,carbonyl,DOUB,O19,C12,no,N,38,,24508,bmse001293,BMET001293
39,carbonyl,DOUB,O20,C13,no,N,39,,24508,bmse001293,BMET001293
1,covalent,SING,C1,H19,no,N,1,,24532,bmse001294,BMET001294
2,covalent,SING,C1,H20,no,N,2,,24532,bmse001294,BMET001294
3,covalent,SING,C1,H21,no,N,3,,24532,bmse001294,BMET001294
4,covalent,SING,C2,H22,no,N,4,,24532,bmse001294,BMET001294
5,covalent,SING,C2,H23,no,N,5,,24532,bmse001294,BMET001294
6,covalent,SING,C3,H24,no,N,6,,24532,bmse001294,BMET001294
7,covalent,SING,C3,H25,no,N,7,,24532,bmse001294,BMET001294
8,covalent,SING,C3,H26,no,N,8,,24532,bmse001294,BMET001294
9,covalent,SING,C4,C5,no,N,9,,24532,bmse001294,BMET001294
10,covalent,SING,C4,H27,no,N,10,,24532,bmse001294,BMET001294
11,covalent,SING,C4,H28,no,N,11,,24532,bmse001294,BMET001294
12,covalent,DOUB,C5,C9,no,N,12,,24532,bmse001294,BMET001294
13,covalent,SING,C5,H29,no,N,13,,24532,bmse001294,BMET001294
14,covalent,SING,C6,C9,no,N,14,,24532,bmse001294,BMET001294
15,covalent,SING,C6,H30,no,N,15,,24532,bmse001294,BMET001294
16,covalent,SING,C6,H31,no,N,16,,24532,bmse001294,BMET001294
17,covalent,SING,C7,C6,no,N,17,,24532,bmse001294,BMET001294
18,covalent,SING,C7,H32,no,N,18,,24532,bmse001294,BMET001294
19,covalent,SING,C7,H33,no,N,19,,24532,bmse001294,BMET001294
20,covalent,SING,C8,C4,no,N,20,,24532,bmse001294,BMET001294
21,covalent,SING,C8,H34,no,N,21,,24532,bmse001294,BMET001294
22,covalent,SING,C8,H35,no,N,22,,24532,bmse001294,BMET001294
23,covalent,SING,C9,C1,no,N,23,,24532,bmse001294,BMET001294
24,covalent,DOUB,C10,C2,no,N,24,,24532,bmse001294,BMET001294
25,covalent,SING,C10,C14,no,N,25,,24532,bmse001294,BMET001294
26,covalent,SING,C11,C7,no,N,26,,24532,bmse001294,BMET001294
27,covalent,SING,C11,C10,no,N,27,,24532,bmse001294,BMET001294
28,covalent,SING,C11,H36,no,N,28,,24532,bmse001294,BMET001294
29,covalent,SING,C12,C11,no,N,29,,24532,bmse001294,BMET001294
30,covalent,SING,C12,H37,no,N,30,,24532,bmse001294,BMET001294
31,covalent,SING,C13,C12,no,N,31,,24532,bmse001294,BMET001294
32,covalent,SING,C13,H38,no,N,32,,24532,bmse001294,BMET001294
33,covalent,SING,C15,C3,no,N,33,,24532,bmse001294,BMET001294
34,covalent,SING,C15,C8,no,N,34,,24532,bmse001294,BMET001294
35,covalent,SING,C15,C13,no,N,35,,24532,bmse001294,BMET001294
36,carbonyl,DOUB,O16,C14,no,N,36,,24532,bmse001294,BMET001294
37,covalent,SING,O17,C12,no,N,37,,24532,bmse001294,BMET001294
38,ester,SING,O17,C14,no,N,38,,24532,bmse001294,BMET001294
39,covalent,SING,O18,C13,no,N,39,,24532,bmse001294,BMET001294
40,covalent,SING,O18,C15,no,N,40,,24532,bmse001294,BMET001294
1,covalent,AROM,C1,C4,yes,N,1,,24556,bmse001295,BMET001295
2,covalent,SING,C1,H13,no,N,2,,24556,bmse001295,BMET001295
3,covalent,AROM,C2,C5,yes,N,3,,24556,bmse001295,BMET001295
4,covalent,SING,C2,H14,no,N,4,,24556,bmse001295,BMET001295
5,covalent,SING,C3,C6,no,N,5,,24556,bmse001295,BMET001295
6,covalent,SING,C3,C7,no,N,6,,24556,bmse001295,BMET001295
7,covalent,SING,C3,H15,no,N,7,,24556,bmse001295,BMET001295
8,covalent,SING,C3,H16,no,N,8,,24556,bmse001295,BMET001295
9,covalent,AROM,C4,C8,yes,N,9,,24556,bmse001295,BMET001295
10,covalent,SING,C4,H17,no,N,10,,24556,bmse001295,BMET001295
11,covalent,AROM,C5,C8,yes,N,11,,24556,bmse001295,BMET001295
12,covalent,SING,C5,H18,no,N,12,,24556,bmse001295,BMET001295
13,covalent,SING,C6,C9,no,N,13,,24556,bmse001295,BMET001295
14,covalent,SING,C6,H19,no,N,14,,24556,bmse001295,BMET001295
15,covalent,SING,C6,H20,no,N,15,,24556,bmse001295,BMET001295
16,covalent,AROM,C7,C1,yes,N,16,,24556,bmse001295,BMET001295
17,covalent,AROM,C7,C2,yes,N,17,,24556,bmse001295,BMET001295
18,covalent,SING,O10,C8,no,N,18,,24556,bmse001295,BMET001295
19,covalent,SING,O10,H21,no,N,19,,24556,bmse001295,BMET001295
20,ester,SING,O11,C9,no,N,20,,24556,bmse001295,BMET001295
21,covalent,SING,O11,H22,no,N,21,,24556,bmse001295,BMET001295
22,carbonyl,DOUB,O12,C9,no,N,22,,24556,bmse001295,BMET001295
1,covalent,SING,C1,H33,no,N,1,,24580,bmse001296,BMET001296
2,covalent,SING,C1,H34,no,N,2,,24580,bmse001296,BMET001296
3,covalent,SING,C2,H35,no,N,3,,24580,bmse001296,BMET001296
4,covalent,SING,C2,H36,no,N,4,,24580,bmse001296,BMET001296
5,covalent,SING,C2,H37,no,N,5,,24580,bmse001296,BMET001296
6,covalent,SING,C3,H38,no,N,6,,24580,bmse001296,BMET001296
7,covalent,SING,C3,H39,no,N,7,,24580,bmse001296,BMET001296
8,covalent,SING,C3,H40,no,N,8,,24580,bmse001296,BMET001296
9,covalent,SING,C4,H41,no,N,9,,24580,bmse001296,BMET001296
10,covalent,SING,C4,H42,no,N,10,,24580,bmse001296,BMET001296
11,covalent,SING,C4,H43,no,N,11,,24580,bmse001296,BMET001296
12,covalent,SING,C5,H44,no,N,12,,24580,bmse001296,BMET001296
13,covalent,SING,C5,H45,no,N,13,,24580,bmse001296,BMET001296
14,covalent,SING,C5,H46,no,N,14,,24580,bmse001296,BMET001296
15,covalent,SING,C6,H47,no,N,15,,24580,bmse001296,BMET001296
16,covalent,SING,C6,H48,no,N,16,,24580,bmse001296,BMET001296
17,covalent,SING,C6,H49,no,N,17,,24580,bmse001296,BMET001296
18,covalent,SING,C7,H50,no,N,18,,24580,bmse001296,BMET001296
19,covalent,SING,C7,H51,no,N,19,,24580,bmse001296,BMET001296
20,covalent,SING,C7,H52,no,N,20,,24580,bmse001296,BMET001296
21,covalent,SING,C8,H53,no,N,21,,24580,bmse001296,BMET001296
22,covalent,SING,C8,H54,no,N,22,,24580,bmse001296,BMET001296
23,covalent,SING,C9,C8,no,N,23,,24580,bmse001296,BMET001296
24,covalent,SING,C9,H55,no,N,24,,24580,bmse001296,BMET001296
25,covalent,SING,C9,H56,no,N,25,,24580,bmse001296,BMET001296
26,covalent,SING,C10,H57,no,N,26,,24580,bmse001296,BMET001296
27,covalent,SING,C10,H58,no,N,27,,24580,bmse001296,BMET001296
28,covalent,SING,C11,H59,no,N,28,,24580,bmse001296,BMET001296
29,covalent,SING,C11,H60,no,N,29,,24580,bmse001296,BMET001296
30,covalent,SING,C12,H61,no,N,30,,24580,bmse001296,BMET001296
31,covalent,SING,C12,H62,no,N,31,,24580,bmse001296,BMET001296
32,covalent,SING,C13,C12,no,N,32,,24580,bmse001296,BMET001296
33,covalent,SING,C13,H63,no,N,33,,24580,bmse001296,BMET001296
34,covalent,SING,C13,H64,no,N,34,,24580,bmse001296,BMET001296
35,covalent,SING,C14,C11,no,N,35,,24580,bmse001296,BMET001296
36,covalent,SING,C14,H65,no,N,36,,24580,bmse001296,BMET001296
37,covalent,SING,C14,H66,no,N,37,,24580,bmse001296,BMET001296
38,covalent,SING,C15,C10,no,N,38,,24580,bmse001296,BMET001296
39,covalent,SING,C15,H67,no,N,39,,24580,bmse001296,BMET001296
40,covalent,SING,C15,H68,no,N,40,,24580,bmse001296,BMET001296
41,covalent,SING,C16,C17,no,N,41,,24580,bmse001296,BMET001296
42,covalent,SING,C16,H69,no,N,42,,24580,bmse001296,BMET001296
43,covalent,SING,C16,H70,no,N,43,,24580,bmse001296,BMET001296
44,covalent,SING,C17,H71,no,N,44,,24580,bmse001296,BMET001296
45,covalent,SING,C17,H72,no,N,45,,24580,bmse001296,BMET001296
46,covalent,SING,C18,H73,no,N,46,,24580,bmse001296,BMET001296
47,covalent,SING,C18,H74,no,N,47,,24580,bmse001296,BMET001296
48,covalent,DOUB,C19,C1,no,N,48,,24580,bmse001296,BMET001296
49,covalent,SING,C19,C2,no,N,49,,24580,bmse001296,BMET001296
50,covalent,SING,C20,C10,no,N,50,,24580,bmse001296,BMET001296
51,covalent,SING,C20,C19,no,N,51,,24580,bmse001296,BMET001296
52,covalent,SING,C20,H75,no,N,52,,24580,bmse001296,BMET001296
53,covalent,SING,C21,C8,no,N,53,,24580,bmse001296,BMET001296
54,covalent,SING,C21,C25,no,N,54,,24580,bmse001296,BMET001296
55,covalent,SING,C21,H76,no,N,55,,24580,bmse001296,BMET001296
56,covalent,SING,C22,C11,no,N,56,,24580,bmse001296,BMET001296
57,covalent,SING,C22,C26,no,N,57,,24580,bmse001296,BMET001296
58,covalent,SING,C22,H77,no,N,58,,24580,bmse001296,BMET001296
59,covalent,SING,C23,C9,no,N,59,,24580,bmse001296,BMET001296
60,covalent,SING,C23,C27,no,N,60,,24580,bmse001296,BMET001296
61,covalent,SING,C23,H78,no,N,61,,24580,bmse001296,BMET001296
62,covalent,SING,C24,C12,no,N,62,,24580,bmse001296,BMET001296
63,covalent,SING,C24,H79,no,N,63,,24580,bmse001296,BMET001296
64,covalent,SING,C25,C20,no,N,64,,24580,bmse001296,BMET001296
65,covalent,SING,C25,C30,no,N,65,,24580,bmse001296,BMET001296
66,covalent,SING,C25,H80,no,N,66,,24580,bmse001296,BMET001296
67,covalent,SING,C26,C3,no,N,67,,24580,bmse001296,BMET001296
68,covalent,SING,C26,C4,no,N,68,,24580,bmse001296,BMET001296
69,covalent,SING,C26,C24,no,N,69,,24580,bmse001296,BMET001296
70,covalent,SING,C27,C5,no,N,70,,24580,bmse001296,BMET001296
71,covalent,SING,C27,C13,no,N,71,,24580,bmse001296,BMET001296
72,covalent,SING,C27,C22,no,N,72,,24580,bmse001296,BMET001296
73,covalent,SING,C28,C6,no,N,73,,24580,bmse001296,BMET001296
74,covalent,SING,C28,C16,no,N,74,,24580,bmse001296,BMET001296
75,covalent,SING,C28,C21,no,N,75,,24580,bmse001296,BMET001296
76,covalent,SING,C29,C7,no,N,76,,24580,bmse001296,BMET001296
77,covalent,SING,C29,C14,no,N,77,,24580,bmse001296,BMET001296
78,covalent,SING,C29,C23,no,N,78,,24580,bmse001296,BMET001296
79,covalent,SING,C29,C28,no,N,79,,24580,bmse001296,BMET001296
80,covalent,SING,C30,C15,no,N,80,,24580,bmse001296,BMET001296
81,covalent,SING,C30,C17,no,N,81,,24580,bmse001296,BMET001296
82,covalent,SING,C30,C18,no,N,82,,24580,bmse001296,BMET001296
83,covalent,SING,O31,C18,no,N,83,,24580,bmse001296,BMET001296
84,covalent,SING,O31,H81,no,N,84,,24580,bmse001296,BMET001296
85,covalent,SING,O32,C24,no,N,85,,24580,bmse001296,BMET001296
86,covalent,SING,O32,H82,no,N,86,,24580,bmse001296,BMET001296
1,covalent,SING,C1,H21,no,N,1,,24604,bmse001297,BMET001297
2,covalent,SING,C1,H22,no,N,2,,24604,bmse001297,BMET001297
3,covalent,SING,C1,H23,no,N,3,,24604,bmse001297,BMET001297
4,covalent,AROM,C2,C6,yes,N,4,,24604,bmse001297,BMET001297
5,covalent,SING,C2,H24,no,N,5,,24604,bmse001297,BMET001297
6,covalent,SING,C3,H25,no,N,6,,24604,bmse001297,BMET001297
7,covalent,AROM,C4,C7,yes,N,7,,24604,bmse001297,BMET001297
8,covalent,SING,C4,H26,no,N,8,,24604,bmse001297,BMET001297
9,covalent,SING,C5,H27,no,N,9,,24604,bmse001297,BMET001297
10,covalent,SING,C6,C1,no,N,10,,24604,bmse001297,BMET001297
11,covalent,AROM,C6,C3,yes,N,11,,24604,bmse001297,BMET001297
12,covalent,AROM,C7,C5,yes,N,12,,24604,bmse001297,BMET001297
13,covalent,AROM,C8,C2,yes,N,13,,24604,bmse001297,BMET001297
14,covalent,AROM,C8,C12,yes,N,14,,24604,bmse001297,BMET001297
15,covalent,SING,C8,C14,no,N,15,,24604,bmse001297,BMET001297
16,covalent,AROM,C9,C4,yes,N,16,,24604,bmse001297,BMET001297
17,covalent,SING,C9,C14,no,N,17,,24604,bmse001297,BMET001297
18,covalent,AROM,C10,C3,yes,N,18,,24604,bmse001297,BMET001297
19,covalent,AROM,C11,C5,yes,N,19,,24604,bmse001297,BMET001297
20,covalent,AROM,C12,C10,yes,N,20,,24604,bmse001297,BMET001297
21,covalent,SING,C12,C15,no,N,21,,24604,bmse001297,BMET001297
22,covalent,AROM,C13,C9,yes,N,22,,24604,bmse001297,BMET001297
23,covalent,AROM,C13,C11,yes,N,23,,24604,bmse001297,BMET001297
24,covalent,SING,C13,C15,no,N,24,,24604,bmse001297,BMET001297
25,covalent,SING,O16,C7,no,N,25,,24604,bmse001297,BMET001297
26,covalent,SING,O16,H28,no,N,26,,24604,bmse001297,BMET001297
27,covalent,SING,O17,C10,no,N,27,,24604,bmse001297,BMET001297
28,covalent,SING,O17,H29,no,N,28,,24604,bmse001297,BMET001297
29,covalent,SING,O18,C11,no,N,29,,24604,bmse001297,BMET001297
30,covalent,SING,O18,H30,no,N,30,,24604,bmse001297,BMET001297
31,carbonyl,DOUB,O19,C14,no,N,31,,24604,bmse001297,BMET001297
32,carbonyl,DOUB,O20,C15,no,N,32,,24604,bmse001297,BMET001297
1,covalent,AROM,C1,C3,yes,N,1,,24628,bmse001298,BMET001298
2,covalent,SING,C1,H20,no,N,2,,24628,bmse001298,BMET001298
3,covalent,AROM,C2,C4,yes,N,3,,24628,bmse001298,BMET001298
4,covalent,SING,C2,H21,no,N,4,,24628,bmse001298,BMET001298
5,covalent,AROM,C3,C10,yes,N,5,,24628,bmse001298,BMET001298
6,covalent,SING,C3,H22,no,N,6,,24628,bmse001298,BMET001298
7,covalent,AROM,C4,C10,yes,N,7,,24628,bmse001298,BMET001298
8,covalent,SING,C4,H23,no,N,8,,24628,bmse001298,BMET001298
9,covalent,SING,C5,H24,no,N,9,,24628,bmse001298,BMET001298
10,covalent,AROM,C6,C5,yes,N,10,,24628,bmse001298,BMET001298
11,covalent,SING,C6,H25,no,N,11,,24628,bmse001298,BMET001298
12,covalent,AROM,C7,C11,yes,N,12,,24628,bmse001298,BMET001298
13,covalent,SING,C7,H26,no,N,13,,24628,bmse001298,BMET001298
14,covalent,SING,C8,H27,no,N,14,,24628,bmse001298,BMET001298
15,covalent,AROM,C9,C1,yes,N,15,,24628,bmse001298,BMET001298
16,covalent,AROM,C9,C2,yes,N,16,,24628,bmse001298,BMET001298
17,covalent,AROM,C11,C5,yes,N,17,,24628,bmse001298,BMET001298
18,covalent,AROM,C12,C6,yes,N,18,,24628,bmse001298,BMET001298
19,covalent,AROM,C12,C14,yes,N,19,,24628,bmse001298,BMET001298
20,covalent,AROM,C12,C15,yes,N,20,,24628,bmse001298,BMET001298
21,covalent,AROM,C13,C8,yes,N,21,,24628,bmse001298,BMET001298
22,covalent,SING,C13,C9,no,N,22,,24628,bmse001298,BMET001298
23,covalent,AROM,C13,C15,yes,N,23,,24628,bmse001298,BMET001298
24,covalent,AROM,C14,C7,yes,N,24,,24628,bmse001298,BMET001298
25,covalent,SING,O16,C10,no,N,25,,24628,bmse001298,BMET001298
26,covalent,SING,O16,H28,no,N,26,,24628,bmse001298,BMET001298
27,covalent,SING,O17,C11,no,N,27,,24628,bmse001298,BMET001298
28,covalent,SING,O17,H29,no,N,28,,24628,bmse001298,BMET001298
29,carbonyl,DOUB,O18,C15,no,N,29,,24628,bmse001298,BMET001298
30,covalent,AROM,O19,C8,yes,N,30,,24628,bmse001298,BMET001298
31,covalent,AROM,O19,C14,yes,N,31,,24628,bmse001298,BMET001298
1,covalent,SING,C1,H20,no,N,1,,24652,bmse001299,BMET001299
2,covalent,SING,C1,H21,no,N,2,,24652,bmse001299,BMET001299
3,covalent,SING,C1,H22,no,N,3,,24652,bmse001299,BMET001299
4,covalent,SING,C2,H23,no,N,4,,24652,bmse001299,BMET001299
5,covalent,SING,C2,H24,no,N,5,,24652,bmse001299,BMET001299
6,covalent,SING,C3,H25,no,N,6,,24652,bmse001299,BMET001299
7,covalent,SING,C3,H26,no,N,7,,24652,bmse001299,BMET001299
8,covalent,SING,C3,H27,no,N,8,,24652,bmse001299,BMET001299
9,covalent,SING,C4,C5,no,N,9,,24652,bmse001299,BMET001299
10,covalent,SING,C4,H28,no,N,10,,24652,bmse001299,BMET001299
11,covalent,SING,C4,H29,no,N,11,,24652,bmse001299,BMET001299
12,covalent,SING,C5,H30,no,N,12,,24652,bmse001299,BMET001299
13,covalent,SING,C5,H31,no,N,13,,24652,bmse001299,BMET001299
14,covalent,SING,C6,H32,no,N,14,,24652,bmse001299,BMET001299
15,covalent,DOUB,C7,C6,no,N,15,,24652,bmse001299,BMET001299
16,covalent,SING,C7,H33,no,N,16,,24652,bmse001299,BMET001299
17,covalent,SING,C8,C1,no,N,17,,24652,bmse001299,BMET001299
18,covalent,SING,C8,C4,no,N,18,,24652,bmse001299,BMET001299
19,covalent,SING,C8,H34,no,N,19,,24652,bmse001299,BMET001299
20,covalent,DOUB,C9,C2,no,N,20,,24652,bmse001299,BMET001299
21,covalent,SING,C9,C13,no,N,21,,24652,bmse001299,BMET001299
22,covalent,SING,C10,C5,no,N,22,,24652,bmse001299,BMET001299
23,covalent,SING,C10,C9,no,N,23,,24652,bmse001299,BMET001299
24,covalent,SING,C10,H35,no,N,24,,24652,bmse001299,BMET001299
25,covalent,SING,C11,C6,no,N,25,,24652,bmse001299,BMET001299
26,covalent,SING,C12,C10,no,N,26,,24652,bmse001299,BMET001299
27,covalent,SING,C12,H36,no,N,27,,24652,bmse001299,BMET001299
28,covalent,SING,C14,C3,no,N,28,,24652,bmse001299,BMET001299
29,covalent,SING,C14,C11,no,N,29,,24652,bmse001299,BMET001299
30,covalent,SING,C14,C12,no,N,30,,24652,bmse001299,BMET001299
31,covalent,SING,C14,C15,no,N,31,,24652,bmse001299,BMET001299
32,covalent,SING,C15,C7,no,N,32,,24652,bmse001299,BMET001299
33,covalent,SING,C15,C8,no,N,33,,24652,bmse001299,BMET001299
34,carbonyl,DOUB,O16,C11,no,N,34,,24652,bmse001299,BMET001299
35,carbonyl,DOUB,O17,C13,no,N,35,,24652,bmse001299,BMET001299
36,covalent,SING,O18,C15,no,N,36,,24652,bmse001299,BMET001299
37,covalent,SING,O18,H37,no,N,37,,24652,bmse001299,BMET001299
38,covalent,SING,O19,C12,no,N,38,,24652,bmse001299,BMET001299
39,ester,SING,O19,C13,no,N,39,,24652,bmse001299,BMET001299
1,covalent,SING,C1,H47,no,N,1,,24676,bmse001300,BMET001300
2,covalent,SING,C1,H48,no,N,2,,24676,bmse001300,BMET001300
3,covalent,SING,C1,H49,no,N,3,,24676,bmse001300,BMET001300
4,covalent,SING,C2,H50,no,N,4,,24676,bmse001300,BMET001300
5,covalent,SING,C2,H51,no,N,5,,24676,bmse001300,BMET001300
6,covalent,SING,C2,H52,no,N,6,,24676,bmse001300,BMET001300
7,covalent,SING,C3,H53,no,N,7,,24676,bmse001300,BMET001300
8,covalent,SING,C3,H54,no,N,8,,24676,bmse001300,BMET001300
9,covalent,SING,C3,H55,no,N,9,,24676,bmse001300,BMET001300
10,covalent,SING,C4,H56,no,N,10,,24676,bmse001300,BMET001300
11,covalent,SING,C4,H57,no,N,11,,24676,bmse001300,BMET001300
12,covalent,SING,C4,H58,no,N,12,,24676,bmse001300,BMET001300
13,covalent,SING,C5,H59,no,N,13,,24676,bmse001300,BMET001300
14,covalent,SING,C5,H60,no,N,14,,24676,bmse001300,BMET001300
15,covalent,SING,C5,H61,no,N,15,,24676,bmse001300,BMET001300
16,covalent,SING,C6,H62,no,N,16,,24676,bmse001300,BMET001300
17,covalent,SING,C6,H63,no,N,17,,24676,bmse001300,BMET001300
18,covalent,SING,C6,H64,no,N,18,,24676,bmse001300,BMET001300
19,covalent,SING,C7,C19,no,N,19,,24676,bmse001300,BMET001300
20,covalent,SING,C7,H65,no,N,20,,24676,bmse001300,BMET001300
21,covalent,SING,C7,H66,no,N,21,,24676,bmse001300,BMET001300
22,covalent,AROM,C8,C21,yes,N,22,,24676,bmse001300,BMET001300
23,covalent,SING,C8,H67,no,N,23,,24676,bmse001300,BMET001300
24,covalent,AROM,C9,C8,yes,N,24,,24676,bmse001300,BMET001300
25,covalent,SING,C9,H68,no,N,25,,24676,bmse001300,BMET001300
26,covalent,SING,C10,C7,no,N,26,,24676,bmse001300,BMET001300
27,covalent,SING,C10,H69,no,N,27,,24676,bmse001300,BMET001300
28,covalent,SING,C10,H70,no,N,28,,24676,bmse001300,BMET001300
29,covalent,SING,C11,C23,no,N,29,,24676,bmse001300,BMET001300
30,covalent,SING,C11,H71,no,N,30,,24676,bmse001300,BMET001300
31,covalent,SING,C11,H72,no,N,31,,24676,bmse001300,BMET001300
32,covalent,SING,C12,C11,no,N,32,,24676,bmse001300,BMET001300
33,covalent,SING,C12,H73,no,N,33,,24676,bmse001300,BMET001300
34,covalent,SING,C12,H74,no,N,34,,24676,bmse001300,BMET001300
35,covalent,AROM,C13,C27,yes,N,35,,24676,bmse001300,BMET001300
36,covalent,SING,C13,H75,no,N,36,,24676,bmse001300,BMET001300
37,covalent,AROM,C14,C28,yes,N,37,,24676,bmse001300,BMET001300
38,covalent,SING,C14,H76,no,N,38,,24676,bmse001300,BMET001300
39,covalent,SING,C15,C29,no,N,39,,24676,bmse001300,BMET001300
40,covalent,SING,C15,H77,no,N,40,,24676,bmse001300,BMET001300
41,covalent,SING,C15,H78,no,N,41,,24676,bmse001300,BMET001300
42,covalent,AROM,C16,C21,yes,N,42,,24676,bmse001300,BMET001300
43,covalent,SING,C16,H79,no,N,43,,24676,bmse001300,BMET001300
44,covalent,SING,C17,C26,no,N,44,,24676,bmse001300,BMET001300
45,covalent,SING,C17,H80,no,N,45,,24676,bmse001300,BMET001300
46,covalent,SING,C17,H81,no,N,46,,24676,bmse001300,BMET001300
47,covalent,SING,C18,H82,no,N,47,,24676,bmse001300,BMET001300
48,covalent,SING,C18,H83,no,N,48,,24676,bmse001300,BMET001300
49,covalent,AROM,C19,C13,yes,N,49,,24676,bmse001300,BMET001300
50,covalent,AROM,C19,C14,yes,N,50,,24676,bmse001300,BMET001300
51,covalent,SING,C20,C15,no,N,51,,24676,bmse001300,BMET001300
52,covalent,SING,C20,C18,no,N,52,,24676,bmse001300,BMET001300
53,covalent,SING,C20,H84,no,N,53,,24676,bmse001300,BMET001300
54,covalent,AROM,C22,C9,yes,N,54,,24676,bmse001300,BMET001300
55,covalent,AROM,C22,C25,yes,N,55,,24676,bmse001300,BMET001300
56,covalent,AROM,C23,C22,yes,N,56,,24676,bmse001300,BMET001300
57,covalent,SING,C24,C17,no,N,57,,24676,bmse001300,BMET001300
58,covalent,SING,C24,C20,no,N,58,,24676,bmse001300,BMET001300
59,covalent,SING,C24,C31,no,N,59,,24676,bmse001300,BMET001300
60,covalent,SING,C24,H85,no,N,60,,24676,bmse001300,BMET001300
61,covalent,AROM,C25,C16,yes,N,61,,24676,bmse001300,BMET001300
62,covalent,SING,C26,C32,no,N,62,,24676,bmse001300,BMET001300
63,covalent,SING,C26,H86,no,N,63,,24676,bmse001300,BMET001300
64,covalent,AROM,C27,C33,yes,N,64,,24676,bmse001300,BMET001300
65,covalent,AROM,C28,C33,yes,N,65,,24676,bmse001300,BMET001300
66,covalent,SING,C29,H87,no,N,66,,24676,bmse001300,BMET001300
67,covalent,SING,C30,C10,no,N,67,,24676,bmse001300,BMET001300
68,covalent,SING,C31,C34,no,N,68,,24676,bmse001300,BMET001300
69,covalent,SING,C31,C35,no,N,69,,24676,bmse001300,BMET001300
70,covalent,SING,C31,H88,no,N,70,,24676,bmse001300,BMET001300
71,covalent,AROM,C32,C23,yes,N,71,,24676,bmse001300,BMET001300
72,covalent,SING,C34,C29,no,N,72,,24676,bmse001300,BMET001300
73,covalent,SING,C34,H89,no,N,73,,24676,bmse001300,BMET001300
74,covalent,AROM,N36,C25,yes,N,74,,24676,bmse001300,BMET001300
75,covalent,AROM,N36,C32,yes,N,75,,24676,bmse001300,BMET001300
76,covalent,SING,N36,H90,no,N,76,,24676,bmse001300,BMET001300
77,covalent,SING,N37,C12,no,N,77,,24676,bmse001300,BMET001300
78,covalent,SING,N37,C18,no,N,78,,24676,bmse001300,BMET001300
79,covalent,SING,N37,C26,no,N,79,,24676,bmse001300,BMET001300
80,carbonyl,DOUB,O38,C30,no,N,80,,24676,bmse001300,BMET001300
81,carbonyl,DOUB,O39,C35,no,N,81,,24676,bmse001300,BMET001300
82,covalent,SING,O40,C1,no,N,82,,24676,bmse001300,BMET001300
83,covalent,SING,O40,C21,no,N,83,,24676,bmse001300,BMET001300
84,covalent,SING,O41,C2,no,N,84,,24676,bmse001300,BMET001300
85,covalent,SING,O41,C27,no,N,85,,24676,bmse001300,BMET001300
86,covalent,SING,O42,C3,no,N,86,,24676,bmse001300,BMET001300
87,covalent,SING,O42,C28,no,N,87,,24676,bmse001300,BMET001300
88,covalent,SING,O43,C4,no,N,88,,24676,bmse001300,BMET001300
89,covalent,SING,O43,C33,no,N,89,,24676,bmse001300,BMET001300
90,covalent,SING,O44,C5,no,N,90,,24676,bmse001300,BMET001300
91,covalent,SING,O44,C34,no,N,91,,24676,bmse001300,BMET001300
92,covalent,SING,O45,C6,no,N,92,,24676,bmse001300,BMET001300
93,ester,SING,O45,C35,no,N,93,,24676,bmse001300,BMET001300
94,covalent,SING,O46,C29,no,N,94,,24676,bmse001300,BMET001300
95,ester,SING,O46,C30,no,N,95,,24676,bmse001300,BMET001300
1,covalent,SING,C1,H30,no,N,1,,24700,bmse001301,BMET001301
2,covalent,SING,C1,H31,no,N,2,,24700,bmse001301,BMET001301
3,covalent,SING,C1,H32,no,N,3,,24700,bmse001301,BMET001301
4,covalent,SING,C2,H33,no,N,4,,24700,bmse001301,BMET001301
5,covalent,SING,C2,H34,no,N,5,,24700,bmse001301,BMET001301
6,covalent,SING,C2,H35,no,N,6,,24700,bmse001301,BMET001301
7,covalent,SING,C3,C1,no,N,7,,24700,bmse001301,BMET001301
8,covalent,SING,C3,H36,no,N,8,,24700,bmse001301,BMET001301
9,covalent,SING,C3,H37,no,N,9,,24700,bmse001301,BMET001301
10,covalent,SING,C4,C2,no,N,10,,24700,bmse001301,BMET001301
11,covalent,SING,C4,H38,no,N,11,,24700,bmse001301,BMET001301
12,covalent,SING,C4,H39,no,N,12,,24700,bmse001301,BMET001301
13,covalent,SING,C5,C3,no,N,13,,24700,bmse001301,BMET001301
14,covalent,SING,C5,H40,no,N,14,,24700,bmse001301,BMET001301
15,covalent,SING,C5,H41,no,N,15,,24700,bmse001301,BMET001301
16,covalent,SING,C6,C4,no,N,16,,24700,bmse001301,BMET001301
17,covalent,SING,C6,H42,no,N,17,,24700,bmse001301,BMET001301
18,covalent,SING,C6,H43,no,N,18,,24700,bmse001301,BMET001301
19,covalent,SING,C7,C5,no,N,19,,24700,bmse001301,BMET001301
20,covalent,SING,C7,C8,no,N,20,,24700,bmse001301,BMET001301
21,covalent,SING,C7,H44,no,N,21,,24700,bmse001301,BMET001301
22,covalent,SING,C7,H45,no,N,22,,24700,bmse001301,BMET001301
23,covalent,SING,C8,C14,no,N,23,,24700,bmse001301,BMET001301
24,covalent,SING,C8,H46,no,N,24,,24700,bmse001301,BMET001301
25,covalent,SING,C8,H47,no,N,25,,24700,bmse001301,BMET001301
26,covalent,SING,C9,C6,no,N,26,,24700,bmse001301,BMET001301
27,covalent,SING,C9,C18,no,N,27,,24700,bmse001301,BMET001301
28,covalent,SING,C9,H48,no,N,28,,24700,bmse001301,BMET001301
29,covalent,SING,C9,H49,no,N,29,,24700,bmse001301,BMET001301
30,covalent,AROM,C10,C15,yes,N,30,,24700,bmse001301,BMET001301
31,covalent,SING,C10,H50,no,N,31,,24700,bmse001301,BMET001301
32,covalent,AROM,C11,C16,yes,N,32,,24700,bmse001301,BMET001301
33,covalent,SING,C11,H51,no,N,33,,24700,bmse001301,BMET001301
34,covalent,AROM,C12,C16,yes,N,34,,24700,bmse001301,BMET001301
35,covalent,SING,C12,H52,no,N,35,,24700,bmse001301,BMET001301
36,covalent,SING,C13,H53,no,N,36,,24700,bmse001301,BMET001301
37,covalent,AROM,C14,C10,yes,N,37,,24700,bmse001301,BMET001301
38,covalent,AROM,C14,C22,yes,N,38,,24700,bmse001301,BMET001301
39,covalent,AROM,C15,C13,yes,N,39,,24700,bmse001301,BMET001301
40,covalent,AROM,C17,C11,yes,N,40,,24700,bmse001301,BMET001301
41,covalent,SING,C17,C18,no,N,41,,24700,bmse001301,BMET001301
42,covalent,AROM,C19,C12,yes,N,42,,24700,bmse001301,BMET001301
43,covalent,AROM,C20,C13,yes,N,43,,24700,bmse001301,BMET001301
44,covalent,AROM,C21,C17,yes,N,44,,24700,bmse001301,BMET001301
45,covalent,AROM,C21,C19,yes,N,45,,24700,bmse001301,BMET001301
46,covalent,SING,C21,C23,no,N,46,,24700,bmse001301,BMET001301
47,covalent,AROM,C22,C20,yes,N,47,,24700,bmse001301,BMET001301
48,covalent,SING,O24,C15,no,N,48,,24700,bmse001301,BMET001301
49,covalent,SING,O24,H54,no,N,49,,24700,bmse001301,BMET001301
50,covalent,SING,O25,C16,no,N,50,,24700,bmse001301,BMET001301
51,covalent,SING,O25,H55,no,N,51,,24700,bmse001301,BMET001301
52,carbonyl,DOUB,O26,C18,no,N,52,,24700,bmse001301,BMET001301
53,carbonyl,DOUB,O27,C23,no,N,53,,24700,bmse001301,BMET001301
54,covalent,SING,O28,C19,no,N,54,,24700,bmse001301,BMET001301
55,covalent,SING,O28,C22,no,N,55,,24700,bmse001301,BMET001301
56,covalent,SING,O29,C20,no,N,56,,24700,bmse001301,BMET001301
57,ester,SING,O29,C23,no,N,57,,24700,bmse001301,BMET001301
1,covalent,AROM,C1,C2,yes,N,1,,24724,bmse001302,BMET001302
2,covalent,SING,C1,H23,no,N,2,,24724,bmse001302,BMET001302
3,covalent,AROM,C2,C8,yes,N,3,,24724,bmse001302,BMET001302
4,covalent,SING,C2,H24,no,N,4,,24724,bmse001302,BMET001302
5,covalent,AROM,C3,C9,yes,N,5,,24724,bmse001302,BMET001302
6,covalent,SING,C3,H25,no,N,6,,24724,bmse001302,BMET001302
7,covalent,AROM,C4,C10,yes,N,7,,24724,bmse001302,BMET001302
8,covalent,SING,C4,H26,no,N,8,,24724,bmse001302,BMET001302
9,covalent,AROM,C5,C11,yes,N,9,,24724,bmse001302,BMET001302
10,covalent,SING,C5,H27,no,N,10,,24724,bmse001302,BMET001302
11,covalent,AROM,C6,C1,yes,N,11,,24724,bmse001302,BMET001302
12,covalent,AROM,C6,C3,yes,N,12,,24724,bmse001302,BMET001302
13,covalent,AROM,C7,C4,yes,N,13,,24724,bmse001302,BMET001302
14,covalent,AROM,C7,C12,yes,N,14,,24724,bmse001302,BMET001302
15,covalent,AROM,C9,C8,yes,N,15,,24724,bmse001302,BMET001302
16,covalent,AROM,C10,C11,yes,N,16,,24724,bmse001302,BMET001302
17,covalent,AROM,C12,C5,yes,N,17,,24724,bmse001302,BMET001302
18,covalent,SING,C13,C7,no,N,18,,24724,bmse001302,BMET001302
19,covalent,SING,C14,C13,no,N,19,,24724,bmse001302,BMET001302
20,covalent,SING,C14,H28,no,N,20,,24724,bmse001302,BMET001302
21,covalent,SING,C15,C6,no,N,21,,24724,bmse001302,BMET001302
22,covalent,SING,C15,C14,no,N,22,,24724,bmse001302,BMET001302
23,covalent,SING,C15,H29,no,N,23,,24724,bmse001302,BMET001302
24,covalent,SING,O16,C8,no,N,24,,24724,bmse001302,BMET001302
25,covalent,SING,O16,H30,no,N,25,,24724,bmse001302,BMET001302
26,covalent,SING,O17,C9,no,N,26,,24724,bmse001302,BMET001302
27,covalent,SING,O17,H31,no,N,27,,24724,bmse001302,BMET001302
28,covalent,SING,O18,C10,no,N,28,,24724,bmse001302,BMET001302
29,covalent,SING,O18,H32,no,N,29,,24724,bmse001302,BMET001302
30,covalent,SING,O19,C11,no,N,30,,24724,bmse001302,BMET001302
31,covalent,SING,O19,H33,no,N,31,,24724,bmse001302,BMET001302
32,carbonyl,DOUB,O20,C13,no,N,32,,24724,bmse001302,BMET001302
33,covalent,SING,O21,C14,no,N,33,,24724,bmse001302,BMET001302
34,covalent,SING,O21,H34,no,N,34,,24724,bmse001302,BMET001302
35,covalent,SING,O22,C12,no,N,35,,24724,bmse001302,BMET001302
36,covalent,SING,O22,C15,no,N,36,,24724,bmse001302,BMET001302
1,covalent,SING,C1,H27,no,N,1,,24748,bmse001303,BMET001303
2,covalent,SING,C1,H28,no,N,2,,24748,bmse001303,BMET001303
3,covalent,SING,C1,H29,no,N,3,,24748,bmse001303,BMET001303
4,covalent,AROM,C2,C3,yes,N,4,,24748,bmse001303,BMET001303
5,covalent,SING,C2,H30,no,N,5,,24748,bmse001303,BMET001303
6,covalent,SING,C3,H31,no,N,6,,24748,bmse001303,BMET001303
7,covalent,AROM,C4,C2,yes,N,7,,24748,bmse001303,BMET001303
8,covalent,SING,C4,H32,no,N,8,,24748,bmse001303,BMET001303
9,covalent,AROM,C5,C3,yes,N,9,,24748,bmse001303,BMET001303
10,covalent,SING,C5,H33,no,N,10,,24748,bmse001303,BMET001303
11,covalent,SING,C6,C7,no,N,11,,24748,bmse001303,BMET001303
12,covalent,SING,C6,H34,no,N,12,,24748,bmse001303,BMET001303
13,covalent,SING,C6,H35,no,N,13,,24748,bmse001303,BMET001303
14,covalent,SING,C7,H36,no,N,14,,24748,bmse001303,BMET001303
15,covalent,SING,C7,H37,no,N,15,,24748,bmse001303,BMET001303
16,covalent,SING,C8,H38,no,N,16,,24748,bmse001303,BMET001303
17,covalent,SING,C8,H39,no,N,17,,24748,bmse001303,BMET001303
18,covalent,SING,C9,C8,no,N,18,,24748,bmse001303,BMET001303
19,covalent,SING,C9,H40,no,N,19,,24748,bmse001303,BMET001303
20,covalent,SING,C9,H41,no,N,20,,24748,bmse001303,BMET001303
21,covalent,SING,C10,C17,no,N,21,,24748,bmse001303,BMET001303
22,covalent,SING,C10,H42,no,N,22,,24748,bmse001303,BMET001303
23,covalent,SING,C10,H43,no,N,23,,24748,bmse001303,BMET001303
24,covalent,SING,C11,H44,no,N,24,,24748,bmse001303,BMET001303
25,covalent,SING,C11,H45,no,N,25,,24748,bmse001303,BMET001303
26,covalent,SING,C12,C6,no,N,26,,24748,bmse001303,BMET001303
27,covalent,SING,C12,C11,no,N,27,,24748,bmse001303,BMET001303
28,covalent,SING,C12,H46,no,N,28,,24748,bmse001303,BMET001303
29,covalent,AROM,C13,C4,yes,N,29,,24748,bmse001303,BMET001303
30,covalent,AROM,C13,C16,yes,N,30,,24748,bmse001303,BMET001303
31,covalent,SING,C14,C8,no,N,31,,24748,bmse001303,BMET001303
32,covalent,AROM,C14,C13,yes,N,32,,24748,bmse001303,BMET001303
33,covalent,SING,C15,C10,no,N,33,,24748,bmse001303,BMET001303
34,covalent,SING,C15,C12,no,N,34,,24748,bmse001303,BMET001303
35,covalent,SING,C15,C19,no,N,35,,24748,bmse001303,BMET001303
36,covalent,SING,C15,H47,no,N,36,,24748,bmse001303,BMET001303
37,covalent,AROM,C16,C5,yes,N,37,,24748,bmse001303,BMET001303
38,covalent,SING,C17,C20,no,N,38,,24748,bmse001303,BMET001303
39,covalent,SING,C17,H48,no,N,39,,24748,bmse001303,BMET001303
40,covalent,SING,C18,C7,no,N,40,,24748,bmse001303,BMET001303
41,covalent,SING,C18,H49,no,N,41,,24748,bmse001303,BMET001303
42,covalent,SING,C19,C18,no,N,42,,24748,bmse001303,BMET001303
43,covalent,SING,C19,C21,no,N,43,,24748,bmse001303,BMET001303
44,covalent,SING,C19,H50,no,N,44,,24748,bmse001303,BMET001303
45,covalent,AROM,C20,C14,yes,N,45,,24748,bmse001303,BMET001303
46,covalent,AROM,N22,C16,yes,N,46,,24748,bmse001303,BMET001303
47,covalent,AROM,N22,C20,yes,N,47,,24748,bmse001303,BMET001303
48,covalent,SING,N22,H51,no,N,48,,24748,bmse001303,BMET001303
49,covalent,SING,N23,C9,no,N,49,,24748,bmse001303,BMET001303
50,covalent,SING,N23,C11,no,N,50,,24748,bmse001303,BMET001303
51,covalent,SING,N23,C17,no,N,51,,24748,bmse001303,BMET001303
52,covalent,SING,O24,C18,no,N,52,,24748,bmse001303,BMET001303
53,covalent,SING,O24,H52,no,N,53,,24748,bmse001303,BMET001303
54,carbonyl,DOUB,O25,C21,no,N,54,,24748,bmse001303,BMET001303
55,covalent,SING,O26,C1,no,N,55,,24748,bmse001303,BMET001303
56,ester,SING,O26,C21,no,N,56,,24748,bmse001303,BMET001303
1,covalent,SING,C1,H19,no,N,1,,24772,bmse001304,BMET001304
2,covalent,SING,C1,H20,no,N,2,,24772,bmse001304,BMET001304
3,covalent,SING,C1,H21,no,N,3,,24772,bmse001304,BMET001304
4,covalent,SING,C2,H22,no,N,4,,24772,bmse001304,BMET001304
5,covalent,SING,C2,H23,no,N,5,,24772,bmse001304,BMET001304
6,covalent,SING,C2,H24,no,N,6,,24772,bmse001304,BMET001304
7,covalent,SING,C3,H25,no,N,7,,24772,bmse001304,BMET001304
8,covalent,AROM,C4,C3,yes,N,8,,24772,bmse001304,BMET001304
9,covalent,SING,C4,H26,no,N,9,,24772,bmse001304,BMET001304
10,covalent,AROM,C5,C3,yes,N,10,,24772,bmse001304,BMET001304
11,covalent,SING,C5,H27,no,N,11,,24772,bmse001304,BMET001304
12,covalent,AROM,C6,C4,yes,N,12,,24772,bmse001304,BMET001304
13,covalent,SING,C6,H28,no,N,13,,24772,bmse001304,BMET001304
14,covalent,SING,C7,C11,no,N,14,,24772,bmse001304,BMET001304
15,covalent,SING,C7,H29,no,N,15,,24772,bmse001304,BMET001304
16,covalent,SING,C7,H30,no,N,16,,24772,bmse001304,BMET001304
17,covalent,SING,C8,C7,no,N,17,,24772,bmse001304,BMET001304
18,covalent,SING,C8,H31,no,N,18,,24772,bmse001304,BMET001304
19,covalent,SING,C8,H32,no,N,19,,24772,bmse001304,BMET001304
20,covalent,AROM,C9,C5,yes,N,20,,24772,bmse001304,BMET001304
21,covalent,SING,C9,C12,no,N,21,,24772,bmse001304,BMET001304
22,covalent,AROM,C10,C6,yes,N,22,,24772,bmse001304,BMET001304
23,covalent,AROM,C10,C9,yes,N,23,,24772,bmse001304,BMET001304
24,covalent,SING,C11,C13,no,N,24,,24772,bmse001304,BMET001304
25,covalent,DOUB,C11,C14,no,N,25,,24772,bmse001304,BMET001304
26,covalent,SING,C13,C12,no,N,26,,24772,bmse001304,BMET001304
27,covalent,SING,C14,C10,no,N,27,,24772,bmse001304,BMET001304
28,covalent,SING,C15,C1,no,N,28,,24772,bmse001304,BMET001304
29,covalent,SING,C15,C2,no,N,29,,24772,bmse001304,BMET001304
30,covalent,SING,C15,C8,no,N,30,,24772,bmse001304,BMET001304
31,carbonyl,DOUB,O16,C12,no,N,31,,24772,bmse001304,BMET001304
32,carbonyl,DOUB,O17,C13,no,N,32,,24772,bmse001304,BMET001304
33,covalent,SING,O18,C14,no,N,33,,24772,bmse001304,BMET001304
34,covalent,SING,O18,C15,no,N,34,,24772,bmse001304,BMET001304
1,covalent,SING,C1,H26,no,N,1,,24796,bmse001305,BMET001305
2,covalent,SING,C1,H27,no,N,2,,24796,bmse001305,BMET001305
3,covalent,SING,C1,H28,no,N,3,,24796,bmse001305,BMET001305
4,covalent,SING,C2,H29,no,N,4,,24796,bmse001305,BMET001305
5,covalent,SING,C2,H30,no,N,5,,24796,bmse001305,BMET001305
6,covalent,SING,C2,H31,no,N,6,,24796,bmse001305,BMET001305
7,covalent,SING,C3,H32,no,N,7,,24796,bmse001305,BMET001305
8,covalent,SING,C3,H33,no,N,8,,24796,bmse001305,BMET001305
9,covalent,SING,C3,H34,no,N,9,,24796,bmse001305,BMET001305
10,covalent,SING,C4,H35,no,N,10,,24796,bmse001305,BMET001305
11,covalent,SING,C4,H36,no,N,11,,24796,bmse001305,BMET001305
12,covalent,SING,C5,C4,no,N,12,,24796,bmse001305,BMET001305
13,covalent,SING,C5,H37,no,N,13,,24796,bmse001305,BMET001305
14,covalent,SING,C5,H38,no,N,14,,24796,bmse001305,BMET001305
15,covalent,SING,C6,C7,no,N,15,,24796,bmse001305,BMET001305
16,covalent,SING,C6,H39,no,N,16,,24796,bmse001305,BMET001305
17,covalent,SING,C6,H40,no,N,17,,24796,bmse001305,BMET001305
18,covalent,SING,C7,H41,no,N,18,,24796,bmse001305,BMET001305
19,covalent,SING,C7,H42,no,N,19,,24796,bmse001305,BMET001305
20,covalent,SING,C8,C4,no,N,20,,24796,bmse001305,BMET001305
21,covalent,SING,C8,H43,no,N,21,,24796,bmse001305,BMET001305
22,covalent,SING,C8,H44,no,N,22,,24796,bmse001305,BMET001305
23,covalent,SING,C9,C6,no,N,23,,24796,bmse001305,BMET001305
24,covalent,SING,C9,H45,no,N,24,,24796,bmse001305,BMET001305
25,covalent,SING,C9,H46,no,N,25,,24796,bmse001305,BMET001305
26,covalent,SING,C10,C5,no,N,26,,24796,bmse001305,BMET001305
27,covalent,SING,C10,H47,no,N,27,,24796,bmse001305,BMET001305
28,covalent,SING,C10,H48,no,N,28,,24796,bmse001305,BMET001305
29,covalent,SING,C11,C17,no,N,29,,24796,bmse001305,BMET001305
30,covalent,SING,C11,H49,no,N,30,,24796,bmse001305,BMET001305
31,covalent,DOUB,C12,C11,no,E,31,,24796,bmse001305,BMET001305
32,covalent,SING,C12,H50,no,N,32,,24796,bmse001305,BMET001305
33,covalent,SING,C13,H51,no,N,33,,24796,bmse001305,BMET001305
34,covalent,SING,C13,H52,no,N,34,,24796,bmse001305,BMET001305
35,covalent,SING,C14,C1,no,N,35,,24796,bmse001305,BMET001305
36,covalent,SING,C14,C7,no,N,36,,24796,bmse001305,BMET001305
37,covalent,SING,C14,H53,no,N,37,,24796,bmse001305,BMET001305
38,covalent,SING,C15,C2,no,N,38,,24796,bmse001305,BMET001305
39,covalent,SING,C15,H54,no,N,39,,24796,bmse001305,BMET001305
40,covalent,SING,C16,C8,no,N,40,,24796,bmse001305,BMET001305
41,covalent,SING,C16,C13,no,N,41,,24796,bmse001305,BMET001305
42,covalent,SING,C16,H55,no,N,42,,24796,bmse001305,BMET001305
43,covalent,SING,C17,C9,no,N,43,,24796,bmse001305,BMET001305
44,covalent,SING,C17,H56,no,N,44,,24796,bmse001305,BMET001305
45,covalent,SING,C18,C10,no,N,45,,24796,bmse001305,BMET001305
46,covalent,SING,C18,C16,no,N,46,,24796,bmse001305,BMET001305
47,covalent,SING,C18,C19,no,N,47,,24796,bmse001305,BMET001305
48,covalent,SING,C18,H57,no,N,48,,24796,bmse001305,BMET001305
49,covalent,SING,C19,C12,no,N,49,,24796,bmse001305,BMET001305
50,covalent,SING,C19,H58,no,N,50,,24796,bmse001305,BMET001305
51,covalent,SING,C20,C13,no,N,51,,24796,bmse001305,BMET001305
52,covalent,SING,C20,C22,no,N,52,,24796,bmse001305,BMET001305
53,covalent,SING,C20,H59,no,N,53,,24796,bmse001305,BMET001305
54,covalent,SING,C21,C15,no,N,54,,24796,bmse001305,BMET001305
55,covalent,SING,C21,C19,no,N,55,,24796,bmse001305,BMET001305
56,covalent,SING,C21,C20,no,N,56,,24796,bmse001305,BMET001305
57,covalent,SING,C21,H60,no,N,57,,24796,bmse001305,BMET001305
58,covalent,SING,N23,C3,no,N,58,,24796,bmse001305,BMET001305
59,covalent,SING,N23,C14,no,N,59,,24796,bmse001305,BMET001305
60,covalent,SING,N23,C17,no,N,60,,24796,bmse001305,BMET001305
61,carbonyl,DOUB,O24,C22,no,N,61,,24796,bmse001305,BMET001305
62,covalent,SING,O25,C15,no,N,62,,24796,bmse001305,BMET001305
63,ester,SING,O25,C22,no,N,63,,24796,bmse001305,BMET001305
1,covalent,SING,C1,H42,no,N,1,,24820,bmse001306,BMET001306
2,covalent,SING,C1,H43,no,N,2,,24820,bmse001306,BMET001306
3,covalent,SING,C1,H44,no,N,3,,24820,bmse001306,BMET001306
4,covalent,SING,C2,H45,no,N,4,,24820,bmse001306,BMET001306
5,covalent,SING,C2,H46,no,N,5,,24820,bmse001306,BMET001306
6,covalent,SING,C2,H47,no,N,6,,24820,bmse001306,BMET001306
7,covalent,SING,C3,H48,no,N,7,,24820,bmse001306,BMET001306
8,covalent,SING,C4,H49,no,N,8,,24820,bmse001306,BMET001306
9,covalent,AROM,C5,C3,yes,N,9,,24820,bmse001306,BMET001306
10,covalent,SING,C5,H50,no,N,10,,24820,bmse001306,BMET001306
11,covalent,AROM,C6,C3,yes,N,11,,24820,bmse001306,BMET001306
12,covalent,SING,C6,H51,no,N,12,,24820,bmse001306,BMET001306
13,covalent,AROM,C7,C4,yes,N,13,,24820,bmse001306,BMET001306
14,covalent,SING,C7,H52,no,N,14,,24820,bmse001306,BMET001306
15,covalent,AROM,C8,C4,yes,N,15,,24820,bmse001306,BMET001306
16,covalent,SING,C8,H53,no,N,16,,24820,bmse001306,BMET001306
17,covalent,AROM,C9,C5,yes,N,17,,24820,bmse001306,BMET001306
18,covalent,SING,C9,H54,no,N,18,,24820,bmse001306,BMET001306
19,covalent,AROM,C10,C6,yes,N,19,,24820,bmse001306,BMET001306
20,covalent,SING,C10,H55,no,N,20,,24820,bmse001306,BMET001306
21,covalent,AROM,C11,C7,yes,N,21,,24820,bmse001306,BMET001306
22,covalent,SING,C11,H56,no,N,22,,24820,bmse001306,BMET001306
23,covalent,AROM,C12,C8,yes,N,23,,24820,bmse001306,BMET001306
24,covalent,SING,C12,H57,no,N,24,,24820,bmse001306,BMET001306
25,covalent,AROM,C13,C15,yes,N,25,,24820,bmse001306,BMET001306
26,covalent,SING,C13,H58,no,N,26,,24820,bmse001306,BMET001306
27,covalent,AROM,C14,C16,yes,N,27,,24820,bmse001306,BMET001306
28,covalent,SING,C14,H59,no,N,28,,24820,bmse001306,BMET001306
29,covalent,AROM,C15,C24,yes,N,29,,24820,bmse001306,BMET001306
30,covalent,SING,C15,H60,no,N,30,,24820,bmse001306,BMET001306
31,covalent,AROM,C16,C24,yes,N,31,,24820,bmse001306,BMET001306
32,covalent,SING,C16,H61,no,N,32,,24820,bmse001306,BMET001306
33,covalent,SING,C17,C26,no,N,33,,24820,bmse001306,BMET001306
34,covalent,SING,C17,H62,no,N,34,,24820,bmse001306,BMET001306
35,covalent,SING,C17,H63,no,N,35,,24820,bmse001306,BMET001306
36,covalent,SING,C18,C17,no,N,36,,24820,bmse001306,BMET001306
37,covalent,SING,C18,H64,no,N,37,,24820,bmse001306,BMET001306
38,covalent,SING,C18,H65,no,N,38,,24820,bmse001306,BMET001306
39,covalent,SING,C19,C27,no,N,39,,24820,bmse001306,BMET001306
40,covalent,SING,C19,H66,no,N,40,,24820,bmse001306,BMET001306
41,covalent,SING,C19,H67,no,N,41,,24820,bmse001306,BMET001306
42,covalent,SING,C20,C28,no,N,42,,24820,bmse001306,BMET001306
43,covalent,SING,C20,H68,no,N,43,,24820,bmse001306,BMET001306
44,covalent,SING,C20,H69,no,N,44,,24820,bmse001306,BMET001306
45,covalent,SING,C21,C1,no,N,45,,24820,bmse001306,BMET001306
46,covalent,SING,C21,C2,no,N,46,,24820,bmse001306,BMET001306
47,covalent,SING,C21,H70,no,N,47,,24820,bmse001306,BMET001306
48,covalent,AROM,C22,C9,yes,N,48,,24820,bmse001306,BMET001306
49,covalent,AROM,C22,C10,yes,N,49,,24820,bmse001306,BMET001306
50,covalent,AROM,C23,C13,yes,N,50,,24820,bmse001306,BMET001306
51,covalent,AROM,C23,C14,yes,N,51,,24820,bmse001306,BMET001306
52,covalent,AROM,C25,C11,yes,N,52,,24820,bmse001306,BMET001306
53,covalent,AROM,C25,C12,yes,N,53,,24820,bmse001306,BMET001306
54,covalent,SING,C26,C19,no,N,54,,24820,bmse001306,BMET001306
55,covalent,SING,C26,H71,no,N,55,,24820,bmse001306,BMET001306
56,covalent,SING,C27,C20,no,N,56,,24820,bmse001306,BMET001306
57,covalent,SING,C27,H72,no,N,57,,24820,bmse001306,BMET001306
58,covalent,SING,C29,C22,no,N,58,,24820,bmse001306,BMET001306
59,covalent,AROM,C30,C29,yes,N,59,,24820,bmse001306,BMET001306
60,covalent,SING,C30,C33,no,N,60,,24820,bmse001306,BMET001306
61,covalent,SING,C31,C21,no,N,61,,24820,bmse001306,BMET001306
62,covalent,AROM,C31,C30,yes,N,62,,24820,bmse001306,BMET001306
63,covalent,SING,C32,C23,no,N,63,,24820,bmse001306,BMET001306
64,covalent,AROM,C32,C29,yes,N,64,,24820,bmse001306,BMET001306
65,covalent,SING,F34,C24,no,N,65,,24820,bmse001306,BMET001306
66,covalent,SING,N35,C25,no,N,66,,24820,bmse001306,BMET001306
67,amide,SING,N35,C33,no,N,67,,24820,bmse001306,BMET001306
68,covalent,SING,N35,H73,no,N,68,,24820,bmse001306,BMET001306
69,covalent,SING,N36,C18,no,N,69,,24820,bmse001306,BMET001306
70,covalent,AROM,N36,C31,yes,N,70,,24820,bmse001306,BMET001306
71,covalent,AROM,N36,C32,yes,N,71,,24820,bmse001306,BMET001306
72,covalent,SING,O37,C26,no,N,72,,24820,bmse001306,BMET001306
73,covalent,SING,O37,H74,no,N,73,,24820,bmse001306,BMET001306
74,covalent,SING,O38,C27,no,N,74,,24820,bmse001306,BMET001306
75,covalent,SING,O38,H75,no,N,75,,24820,bmse001306,BMET001306
76,ester,SING,O39,C28,no,N,76,,24820,bmse001306,BMET001306
77,covalent,SING,O39,H76,no,N,77,,24820,bmse001306,BMET001306
78,carbonyl,DOUB,O40,C28,no,N,78,,24820,bmse001306,BMET001306
79,carbonyl,DOUB,O41,C33,no,N,79,,24820,bmse001306,BMET001306
1,covalent,SING,C1,C5,no,N,1,,24844,bmse001307,BMET001307
2,covalent,SING,C1,H19,no,N,2,,24844,bmse001307,BMET001307
3,covalent,SING,C1,H20,no,N,3,,24844,bmse001307,BMET001307
4,covalent,SING,C2,H21,no,N,4,,24844,bmse001307,BMET001307
5,covalent,SING,C2,H22,no,N,5,,24844,bmse001307,BMET001307
6,covalent,SING,C3,H23,no,N,6,,24844,bmse001307,BMET001307
7,covalent,SING,C4,H24,no,N,7,,24844,bmse001307,BMET001307
8,covalent,SING,C5,C2,no,N,8,,24844,bmse001307,BMET001307
9,covalent,SING,C5,H25,no,N,9,,24844,bmse001307,BMET001307
10,covalent,SING,C6,C1,no,N,10,,24844,bmse001307,BMET001307
11,covalent,SING,C6,H26,no,N,11,,24844,bmse001307,BMET001307
12,covalent,AROM,C7,C8,yes,N,12,,24844,bmse001307,BMET001307
13,covalent,AROM,C9,C7,yes,N,13,,24844,bmse001307,BMET001307
14,covalent,SING,C10,C6,no,N,14,,24844,bmse001307,BMET001307
15,covalent,SING,C10,H27,no,N,15,,24844,bmse001307,BMET001307
16,covalent,SING,N11,C8,no,N,16,,24844,bmse001307,BMET001307
17,covalent,SING,N11,H28,no,N,17,,24844,bmse001307,BMET001307
18,covalent,SING,N11,H29,no,N,18,,24844,bmse001307,BMET001307
19,covalent,AROM,N12,C3,yes,N,19,,24844,bmse001307,BMET001307
20,covalent,AROM,N12,C8,yes,N,20,,24844,bmse001307,BMET001307
21,covalent,AROM,N13,C3,yes,N,21,,24844,bmse001307,BMET001307
22,covalent,AROM,N13,C9,yes,N,22,,24844,bmse001307,BMET001307
23,covalent,AROM,N14,C4,yes,N,23,,24844,bmse001307,BMET001307
24,covalent,AROM,N14,C7,yes,N,24,,24844,bmse001307,BMET001307
25,covalent,AROM,N15,C4,yes,N,25,,24844,bmse001307,BMET001307
26,covalent,AROM,N15,C9,yes,N,26,,24844,bmse001307,BMET001307
27,covalent,SING,N15,C10,no,N,27,,24844,bmse001307,BMET001307
28,covalent,SING,O16,C2,no,N,28,,24844,bmse001307,BMET001307
29,covalent,SING,O16,H30,no,N,29,,24844,bmse001307,BMET001307
30,covalent,SING,O17,C6,no,N,30,,24844,bmse001307,BMET001307
31,covalent,SING,O17,H31,no,N,31,,24844,bmse001307,BMET001307
32,covalent,SING,O18,C5,no,N,32,,24844,bmse001307,BMET001307
33,covalent,SING,O18,C10,no,N,33,,24844,bmse001307,BMET001307
1,covalent,SING,C1,H44,no,N,1,,24868,bmse001308,BMET001308
2,covalent,SING,C1,H45,no,N,2,,24868,bmse001308,BMET001308
3,covalent,SING,C1,H46,no,N,3,,24868,bmse001308,BMET001308
4,covalent,SING,C2,H47,no,N,4,,24868,bmse001308,BMET001308
5,covalent,SING,C2,H48,no,N,5,,24868,bmse001308,BMET001308
6,covalent,SING,C2,H49,no,N,6,,24868,bmse001308,BMET001308
7,covalent,AROM,C3,C4,yes,N,7,,24868,bmse001308,BMET001308
8,covalent,SING,C3,H50,no,N,8,,24868,bmse001308,BMET001308
9,covalent,AROM,C4,C16,yes,N,9,,24868,bmse001308,BMET001308
10,covalent,SING,C4,H51,no,N,10,,24868,bmse001308,BMET001308
11,covalent,AROM,C5,C13,yes,N,11,,24868,bmse001308,BMET001308
12,covalent,SING,C5,H52,no,N,12,,24868,bmse001308,BMET001308
13,covalent,AROM,C6,C14,yes,N,13,,24868,bmse001308,BMET001308
14,covalent,SING,C6,H53,no,N,14,,24868,bmse001308,BMET001308
15,covalent,AROM,C7,C18,yes,N,15,,24868,bmse001308,BMET001308
16,covalent,SING,C7,H54,no,N,16,,24868,bmse001308,BMET001308
17,covalent,SING,C8,C15,no,N,17,,24868,bmse001308,BMET001308
18,covalent,SING,C8,H55,no,N,18,,24868,bmse001308,BMET001308
19,covalent,SING,C8,H56,no,N,19,,24868,bmse001308,BMET001308
20,covalent,SING,C9,H57,no,N,20,,24868,bmse001308,BMET001308
21,covalent,SING,C9,H58,no,N,21,,24868,bmse001308,BMET001308
22,covalent,SING,C10,C1,no,N,22,,24868,bmse001308,BMET001308
23,covalent,SING,C10,H59,no,N,23,,24868,bmse001308,BMET001308
24,covalent,AROM,C11,C3,yes,N,24,,24868,bmse001308,BMET001308
25,covalent,AROM,C11,C5,yes,N,25,,24868,bmse001308,BMET001308
26,covalent,AROM,C12,C6,yes,N,26,,24868,bmse001308,BMET001308
27,covalent,AROM,C12,C7,yes,N,27,,24868,bmse001308,BMET001308
28,covalent,AROM,C13,C16,yes,N,28,,24868,bmse001308,BMET001308
29,covalent,SING,C17,C8,no,N,29,,24868,bmse001308,BMET001308
30,covalent,SING,C17,C11,no,N,30,,24868,bmse001308,BMET001308
31,covalent,SING,C17,H60,no,N,31,,24868,bmse001308,BMET001308
32,covalent,AROM,C18,C20,yes,N,32,,24868,bmse001308,BMET001308
33,covalent,SING,C19,C9,no,N,33,,24868,bmse001308,BMET001308
34,covalent,SING,C19,H61,no,N,34,,24868,bmse001308,BMET001308
35,covalent,AROM,C20,C14,yes,N,35,,24868,bmse001308,BMET001308
36,covalent,SING,C20,C15,no,N,36,,24868,bmse001308,BMET001308
37,covalent,SING,C21,C10,no,N,37,,24868,bmse001308,BMET001308
38,covalent,SING,C21,H62,no,N,38,,24868,bmse001308,BMET001308
39,covalent,SING,C22,C19,no,N,39,,24868,bmse001308,BMET001308
40,covalent,SING,C22,H63,no,N,40,,24868,bmse001308,BMET001308
41,covalent,SING,C23,C21,no,N,41,,24868,bmse001308,BMET001308
42,covalent,SING,C23,H64,no,N,42,,24868,bmse001308,BMET001308
43,covalent,SING,C24,C22,no,N,43,,24868,bmse001308,BMET001308
44,covalent,SING,C24,H65,no,N,44,,24868,bmse001308,BMET001308
45,covalent,SING,C25,C23,no,N,45,,24868,bmse001308,BMET001308
46,covalent,SING,C25,H66,no,N,46,,24868,bmse001308,BMET001308
47,covalent,SING,C26,C24,no,N,47,,24868,bmse001308,BMET001308
48,covalent,SING,C26,C28,no,N,48,,24868,bmse001308,BMET001308
49,covalent,SING,C26,H67,no,N,49,,24868,bmse001308,BMET001308
50,covalent,SING,C27,C25,no,N,50,,24868,bmse001308,BMET001308
51,covalent,SING,C27,H68,no,N,51,,24868,bmse001308,BMET001308
52,covalent,SING,C28,H69,no,N,52,,24868,bmse001308,BMET001308
53,covalent,SING,O29,C9,no,N,53,,24868,bmse001308,BMET001308
54,covalent,SING,O29,H70,no,N,54,,24868,bmse001308,BMET001308
55,covalent,SING,O30,C13,no,N,55,,24868,bmse001308,BMET001308
56,covalent,SING,O30,H71,no,N,56,,24868,bmse001308,BMET001308
57,covalent,SING,O31,C14,no,N,57,,24868,bmse001308,BMET001308
58,covalent,SING,O31,H72,no,N,58,,24868,bmse001308,BMET001308
59,carbonyl,DOUB,O32,C15,no,N,59,,24868,bmse001308,BMET001308
60,covalent,SING,O33,C21,no,N,60,,24868,bmse001308,BMET001308
61,covalent,SING,O33,H73,no,N,61,,24868,bmse001308,BMET001308
62,covalent,SING,O34,C22,no,N,62,,24868,bmse001308,BMET001308
63,covalent,SING,O34,H74,no,N,63,,24868,bmse001308,BMET001308
64,covalent,SING,O35,C23,no,N,64,,24868,bmse001308,BMET001308
65,covalent,SING,O35,H75,no,N,65,,24868,bmse001308,BMET001308
66,covalent,SING,O36,C24,no,N,66,,24868,bmse001308,BMET001308
67,covalent,SING,O36,H76,no,N,67,,24868,bmse001308,BMET001308
68,covalent,SING,O37,C25,no,N,68,,24868,bmse001308,BMET001308
69,covalent,SING,O37,H77,no,N,69,,24868,bmse001308,BMET001308
70,covalent,SING,O38,C2,no,N,70,,24868,bmse001308,BMET001308
71,covalent,SING,O38,C16,no,N,71,,24868,bmse001308,BMET001308
72,covalent,SING,O39,C10,no,N,72,,24868,bmse001308,BMET001308
73,covalent,SING,O39,C27,no,N,73,,24868,bmse001308,BMET001308
74,covalent,SING,O40,C12,no,N,74,,24868,bmse001308,BMET001308
75,covalent,SING,O40,C28,no,N,75,,24868,bmse001308,BMET001308
76,covalent,SING,O41,C17,no,N,76,,24868,bmse001308,BMET001308
77,covalent,SING,O41,C18,no,N,77,,24868,bmse001308,BMET001308
78,covalent,SING,O42,C19,no,N,78,,24868,bmse001308,BMET001308
79,covalent,SING,O42,C28,no,N,79,,24868,bmse001308,BMET001308
80,covalent,SING,O43,C26,no,N,80,,24868,bmse001308,BMET001308
81,covalent,SING,O43,C27,no,N,81,,24868,bmse001308,BMET001308
1,covalent,SING,C1,H37,no,N,1,,24892,bmse001309,BMET001309
2,covalent,SING,C1,H38,no,N,2,,24892,bmse001309,BMET001309
3,covalent,SING,C1,H39,no,N,3,,24892,bmse001309,BMET001309
4,covalent,SING,C2,H40,no,N,4,,24892,bmse001309,BMET001309
5,covalent,SING,C2,H41,no,N,5,,24892,bmse001309,BMET001309
6,covalent,SING,C2,H42,no,N,6,,24892,bmse001309,BMET001309
7,covalent,SING,C3,H43,no,N,7,,24892,bmse001309,BMET001309
8,covalent,SING,C3,H44,no,N,8,,24892,bmse001309,BMET001309
9,covalent,SING,C3,H45,no,N,9,,24892,bmse001309,BMET001309
10,covalent,SING,C4,H46,no,N,10,,24892,bmse001309,BMET001309
11,covalent,SING,C4,H47,no,N,11,,24892,bmse001309,BMET001309
12,covalent,SING,C4,H48,no,N,12,,24892,bmse001309,BMET001309
13,covalent,SING,C5,H49,no,N,13,,24892,bmse001309,BMET001309
14,covalent,SING,C5,H50,no,N,14,,24892,bmse001309,BMET001309
15,covalent,SING,C5,H51,no,N,15,,24892,bmse001309,BMET001309
16,covalent,SING,C6,H52,no,N,16,,24892,bmse001309,BMET001309
17,covalent,SING,C6,H53,no,N,17,,24892,bmse001309,BMET001309
18,covalent,SING,C6,H54,no,N,18,,24892,bmse001309,BMET001309
19,covalent,SING,C7,H55,no,N,19,,24892,bmse001309,BMET001309
20,covalent,SING,C8,C7,no,N,20,,24892,bmse001309,BMET001309
21,covalent,SING,C8,H56,no,N,21,,24892,bmse001309,BMET001309
22,covalent,SING,C8,H57,no,N,22,,24892,bmse001309,BMET001309
23,covalent,SING,C9,H58,no,N,23,,24892,bmse001309,BMET001309
24,covalent,SING,C9,H59,no,N,24,,24892,bmse001309,BMET001309
25,covalent,SING,C10,C9,no,N,25,,24892,bmse001309,BMET001309
26,covalent,SING,C10,H60,no,N,26,,24892,bmse001309,BMET001309
27,covalent,SING,C10,H61,no,N,27,,24892,bmse001309,BMET001309
28,covalent,SING,C11,C12,no,N,28,,24892,bmse001309,BMET001309
29,covalent,SING,C11,H62,no,N,29,,24892,bmse001309,BMET001309
30,covalent,SING,C11,H63,no,N,30,,24892,bmse001309,BMET001309
31,covalent,SING,C12,H64,no,N,31,,24892,bmse001309,BMET001309
32,covalent,SING,C12,H65,no,N,32,,24892,bmse001309,BMET001309
33,covalent,SING,C13,C20,no,N,33,,24892,bmse001309,BMET001309
34,covalent,SING,C13,H66,no,N,34,,24892,bmse001309,BMET001309
35,covalent,SING,C13,H67,no,N,35,,24892,bmse001309,BMET001309
36,covalent,SING,C14,C19,no,N,36,,24892,bmse001309,BMET001309
37,covalent,SING,C14,H68,no,N,37,,24892,bmse001309,BMET001309
38,covalent,SING,C14,H69,no,N,38,,24892,bmse001309,BMET001309
39,covalent,SING,C15,H70,no,N,39,,24892,bmse001309,BMET001309
40,covalent,SING,C15,H71,no,N,40,,24892,bmse001309,BMET001309
41,covalent,SING,C16,C1,no,N,41,,24892,bmse001309,BMET001309
42,covalent,SING,C16,C9,no,N,42,,24892,bmse001309,BMET001309
43,covalent,SING,C16,H72,no,N,43,,24892,bmse001309,BMET001309
44,covalent,SING,C17,C2,no,N,44,,24892,bmse001309,BMET001309
45,covalent,SING,C17,C16,no,N,45,,24892,bmse001309,BMET001309
46,covalent,SING,C17,H73,no,N,46,,24892,bmse001309,BMET001309
47,covalent,DOUB,C18,C7,no,N,47,,24892,bmse001309,BMET001309
48,covalent,SING,C18,C22,no,N,48,,24892,bmse001309,BMET001309
49,covalent,SING,C19,H74,no,N,49,,24892,bmse001309,BMET001309
50,covalent,SING,C20,H75,no,N,50,,24892,bmse001309,BMET001309
51,covalent,SING,C21,C8,no,N,51,,24892,bmse001309,BMET001309
52,covalent,SING,C21,C26,no,N,52,,24892,bmse001309,BMET001309
53,covalent,SING,C21,H76,no,N,53,,24892,bmse001309,BMET001309
54,covalent,SING,C22,C17,no,N,54,,24892,bmse001309,BMET001309
55,covalent,SING,C22,C30,no,N,55,,24892,bmse001309,BMET001309
56,covalent,SING,C22,H77,no,N,56,,24892,bmse001309,BMET001309
57,covalent,SING,C23,C19,no,N,57,,24892,bmse001309,BMET001309
58,covalent,SING,C23,C27,no,N,58,,24892,bmse001309,BMET001309
59,covalent,SING,C23,H78,no,N,59,,24892,bmse001309,BMET001309
60,covalent,SING,C24,C20,no,N,60,,24892,bmse001309,BMET001309
61,covalent,SING,C24,H79,no,N,61,,24892,bmse001309,BMET001309
62,covalent,SING,C26,C3,no,N,62,,24892,bmse001309,BMET001309
63,covalent,SING,C26,C13,no,N,63,,24892,bmse001309,BMET001309
64,covalent,SING,C26,C23,no,N,64,,24892,bmse001309,BMET001309
65,covalent,SING,C27,C4,no,N,65,,24892,bmse001309,BMET001309
66,covalent,SING,C27,C15,no,N,66,,24892,bmse001309,BMET001309
67,covalent,SING,C27,C24,no,N,67,,24892,bmse001309,BMET001309
68,covalent,SING,C28,C5,no,N,68,,24892,bmse001309,BMET001309
69,covalent,SING,C28,C11,no,N,69,,24892,bmse001309,BMET001309
70,covalent,SING,C28,C18,no,N,70,,24892,bmse001309,BMET001309
71,covalent,SING,C29,C6,no,N,71,,24892,bmse001309,BMET001309
72,covalent,SING,C29,C14,no,N,72,,24892,bmse001309,BMET001309
73,covalent,SING,C29,C21,no,N,73,,24892,bmse001309,BMET001309
74,covalent,SING,C29,C28,no,N,74,,24892,bmse001309,BMET001309
75,covalent,SING,C30,C10,no,N,75,,24892,bmse001309,BMET001309
76,covalent,SING,C30,C12,no,N,76,,24892,bmse001309,BMET001309
77,covalent,SING,C30,C25,no,N,77,,24892,bmse001309,BMET001309
78,covalent,SING,O31,C15,no,N,78,,24892,bmse001309,BMET001309
79,covalent,SING,O31,H80,no,N,79,,24892,bmse001309,BMET001309
80,covalent,SING,O32,C19,no,N,80,,24892,bmse001309,BMET001309
81,covalent,SING,O32,H81,no,N,81,,24892,bmse001309,BMET001309
82,covalent,SING,O33,C20,no,N,82,,24892,bmse001309,BMET001309
83,covalent,SING,O33,H82,no,N,83,,24892,bmse001309,BMET001309
84,covalent,SING,O34,C24,no,N,84,,24892,bmse001309,BMET001309
85,covalent,SING,O34,H83,no,N,85,,24892,bmse001309,BMET001309
86,ester,SING,O35,C25,no,N,86,,24892,bmse001309,BMET001309
87,covalent,SING,O35,H84,no,N,87,,24892,bmse001309,BMET001309
88,carbonyl,DOUB,O36,C25,no,N,88,,24892,bmse001309,BMET001309
1,covalent,SING,C1,H29,no,N,1,,24916,bmse001310,BMET001310
2,covalent,SING,C1,H30,no,N,2,,24916,bmse001310,BMET001310
3,covalent,SING,C1,H31,no,N,3,,24916,bmse001310,BMET001310
4,covalent,SING,C2,H32,no,N,4,,24916,bmse001310,BMET001310
5,covalent,SING,C2,H33,no,N,5,,24916,bmse001310,BMET001310
6,covalent,SING,C2,H34,no,N,6,,24916,bmse001310,BMET001310
7,covalent,SING,C3,H35,no,N,7,,24916,bmse001310,BMET001310
8,covalent,SING,C3,H36,no,N,8,,24916,bmse001310,BMET001310
9,covalent,SING,C3,H37,no,N,9,,24916,bmse001310,BMET001310
10,covalent,SING,C4,H38,no,N,10,,24916,bmse001310,BMET001310
11,covalent,SING,C5,H39,no,N,11,,24916,bmse001310,BMET001310
12,covalent,SING,C6,C1,no,N,12,,24916,bmse001310,BMET001310
13,covalent,AROM,C6,C4,yes,N,13,,24916,bmse001310,BMET001310
14,covalent,SING,C7,C2,no,N,14,,24916,bmse001310,BMET001310
15,covalent,AROM,C7,C13,yes,N,15,,24916,bmse001310,BMET001310
16,covalent,SING,C8,C5,no,N,16,,24916,bmse001310,BMET001310
17,covalent,AROM,C8,C9,yes,N,17,,24916,bmse001310,BMET001310
18,covalent,AROM,C9,C4,yes,N,18,,24916,bmse001310,BMET001310
19,covalent,AROM,C10,C6,yes,N,19,,24916,bmse001310,BMET001310
20,covalent,SING,C10,C17,no,N,20,,24916,bmse001310,BMET001310
21,covalent,AROM,C11,C13,yes,N,21,,24916,bmse001310,BMET001310
22,covalent,SING,C11,C18,no,N,22,,24916,bmse001310,BMET001310
23,covalent,AROM,C12,C11,yes,N,23,,24916,bmse001310,BMET001310
24,covalent,AROM,C12,C16,yes,N,24,,24916,bmse001310,BMET001310
25,covalent,SING,C12,C19,no,N,25,,24916,bmse001310,BMET001310
26,covalent,AROM,C14,C7,yes,N,26,,24916,bmse001310,BMET001310
27,covalent,AROM,C15,C8,yes,N,27,,24916,bmse001310,BMET001310
28,covalent,AROM,C15,C10,yes,N,28,,24916,bmse001310,BMET001310
29,covalent,AROM,C16,C14,yes,N,29,,24916,bmse001310,BMET001310
30,covalent,SING,C19,H40,no,N,30,,24916,bmse001310,BMET001310
31,carbonyl,DOUB,O20,C5,no,N,31,,24916,bmse001310,BMET001310
32,covalent,SING,O21,C13,no,N,32,,24916,bmse001310,BMET001310
33,covalent,SING,O21,H41,no,N,33,,24916,bmse001310,BMET001310
34,carbonyl,DOUB,O22,C17,no,N,34,,24916,bmse001310,BMET001310
35,carbonyl,DOUB,O23,C18,no,N,35,,24916,bmse001310,BMET001310
36,covalent,SING,O24,C19,no,N,36,,24916,bmse001310,BMET001310
37,covalent,SING,O24,H42,no,N,37,,24916,bmse001310,BMET001310
38,covalent,SING,O25,C3,no,N,38,,24916,bmse001310,BMET001310
39,covalent,SING,O25,C9,no,N,39,,24916,bmse001310,BMET001310
40,covalent,SING,O26,C15,no,N,40,,24916,bmse001310,BMET001310
41,covalent,SING,O26,C16,no,N,41,,24916,bmse001310,BMET001310
42,covalent,SING,O27,C14,no,N,42,,24916,bmse001310,BMET001310
43,ester,SING,O27,C17,no,N,43,,24916,bmse001310,BMET001310
44,ester,SING,O28,C18,no,N,44,,24916,bmse001310,BMET001310
45,covalent,SING,O28,C19,no,N,45,,24916,bmse001310,BMET001310
1,covalent,SING,C1,H21,no,N,1,,24940,bmse001311,BMET001311
2,covalent,SING,C1,H22,no,N,2,,24940,bmse001311,BMET001311
3,covalent,SING,C1,H23,no,N,3,,24940,bmse001311,BMET001311
4,covalent,SING,C2,H24,no,N,4,,24940,bmse001311,BMET001311
5,covalent,SING,C2,H25,no,N,5,,24940,bmse001311,BMET001311
6,covalent,SING,C2,H26,no,N,6,,24940,bmse001311,BMET001311
7,covalent,SING,C3,H27,no,N,7,,24940,bmse001311,BMET001311
8,covalent,SING,C3,H28,no,N,8,,24940,bmse001311,BMET001311
9,covalent,SING,C3,H29,no,N,9,,24940,bmse001311,BMET001311
10,covalent,SING,C4,C1,no,N,10,,24940,bmse001311,BMET001311
11,covalent,SING,C4,H30,no,N,11,,24940,bmse001311,BMET001311
12,covalent,SING,C4,H31,no,N,12,,24940,bmse001311,BMET001311
13,covalent,AROM,C5,C11,yes,N,13,,24940,bmse001311,BMET001311
14,covalent,SING,C5,H32,no,N,14,,24940,bmse001311,BMET001311
15,covalent,SING,C6,H33,no,N,15,,24940,bmse001311,BMET001311
16,covalent,SING,C7,C2,no,N,16,,24940,bmse001311,BMET001311
17,covalent,SING,C7,C4,no,N,17,,24940,bmse001311,BMET001311
18,covalent,SING,C7,C14,no,N,18,,24940,bmse001311,BMET001311
19,covalent,SING,C7,H34,no,N,19,,24940,bmse001311,BMET001311
20,covalent,SING,C8,C3,no,N,20,,24940,bmse001311,BMET001311
21,covalent,AROM,C8,C9,yes,N,21,,24940,bmse001311,BMET001311
22,covalent,AROM,C9,C5,yes,N,22,,24940,bmse001311,BMET001311
23,covalent,SING,C9,C10,no,N,23,,24940,bmse001311,BMET001311
24,covalent,AROM,C10,C6,yes,N,24,,24940,bmse001311,BMET001311
25,covalent,AROM,C10,C13,yes,N,25,,24940,bmse001311,BMET001311
26,covalent,AROM,C12,C11,yes,N,26,,24940,bmse001311,BMET001311
27,covalent,SING,C12,C15,no,N,27,,24940,bmse001311,BMET001311
28,covalent,AROM,C13,C12,yes,N,28,,24940,bmse001311,BMET001311
29,covalent,AROM,C14,C8,yes,N,29,,24940,bmse001311,BMET001311
30,carbonyl,DOUB,O16,C11,no,N,30,,24940,bmse001311,BMET001311
31,covalent,SING,O17,C13,no,N,31,,24940,bmse001311,BMET001311
32,covalent,SING,O17,H35,no,N,32,,24940,bmse001311,BMET001311
33,ester,SING,O18,C15,no,N,33,,24940,bmse001311,BMET001311
34,covalent,SING,O18,H36,no,N,34,,24940,bmse001311,BMET001311
35,carbonyl,DOUB,O19,C15,no,N,35,,24940,bmse001311,BMET001311
36,covalent,AROM,O20,C6,yes,N,36,,24940,bmse001311,BMET001311
37,covalent,AROM,O20,C14,yes,N,37,,24940,bmse001311,BMET001311
1,covalent,SING,C1,H17,no,N,1,,24964,bmse001312,BMET001312
2,covalent,SING,C1,H18,no,N,2,,24964,bmse001312,BMET001312
3,covalent,SING,C1,H19,no,N,3,,24964,bmse001312,BMET001312
4,covalent,SING,C2,H20,no,N,4,,24964,bmse001312,BMET001312
5,covalent,SING,C2,H21,no,N,5,,24964,bmse001312,BMET001312
6,covalent,SING,C2,H22,no,N,6,,24964,bmse001312,BMET001312
7,covalent,SING,C3,H23,no,N,7,,24964,bmse001312,BMET001312
8,covalent,SING,C3,H24,no,N,8,,24964,bmse001312,BMET001312
9,covalent,SING,C3,H25,no,N,9,,24964,bmse001312,BMET001312
10,covalent,SING,C4,H26,no,N,10,,24964,bmse001312,BMET001312
11,covalent,SING,C4,H27,no,N,11,,24964,bmse001312,BMET001312
12,covalent,SING,C4,H28,no,N,12,,24964,bmse001312,BMET001312
13,covalent,SING,C5,H29,no,N,13,,24964,bmse001312,BMET001312
14,covalent,SING,C5,H30,no,N,14,,24964,bmse001312,BMET001312
15,covalent,SING,C6,H31,no,N,15,,24964,bmse001312,BMET001312
16,covalent,SING,C6,H32,no,N,16,,24964,bmse001312,BMET001312
17,covalent,SING,C7,C6,no,N,17,,24964,bmse001312,BMET001312
18,covalent,SING,C7,H33,no,N,18,,24964,bmse001312,BMET001312
19,covalent,SING,C7,H34,no,N,19,,24964,bmse001312,BMET001312
20,covalent,SING,C8,C5,no,N,20,,24964,bmse001312,BMET001312
21,covalent,SING,C8,H35,no,N,21,,24964,bmse001312,BMET001312
22,covalent,SING,C8,H36,no,N,22,,24964,bmse001312,BMET001312
23,covalent,SING,C9,H37,no,N,23,,24964,bmse001312,BMET001312
24,covalent,SING,C9,H38,no,N,24,,24964,bmse001312,BMET001312
25,covalent,SING,C10,C1,no,N,25,,24964,bmse001312,BMET001312
26,covalent,SING,C10,C5,no,N,26,,24964,bmse001312,BMET001312
27,covalent,SING,C10,H39,no,N,27,,24964,bmse001312,BMET001312
28,covalent,SING,C11,C6,no,N,28,,24964,bmse001312,BMET001312
29,covalent,SING,C11,C9,no,N,29,,24964,bmse001312,BMET001312
30,covalent,SING,C11,H40,no,N,30,,24964,bmse001312,BMET001312
31,covalent,SING,C12,C9,no,N,31,,24964,bmse001312,BMET001312
32,covalent,SING,C12,C10,no,N,32,,24964,bmse001312,BMET001312
33,covalent,SING,C12,H41,no,N,33,,24964,bmse001312,BMET001312
34,covalent,SING,C13,C2,no,N,34,,24964,bmse001312,BMET001312
35,covalent,SING,C13,C3,no,N,35,,24964,bmse001312,BMET001312
36,covalent,SING,C13,C11,no,N,36,,24964,bmse001312,BMET001312
37,covalent,SING,C14,C4,no,N,37,,24964,bmse001312,BMET001312
38,covalent,SING,C14,C7,no,N,38,,24964,bmse001312,BMET001312
39,covalent,SING,C14,C12,no,N,39,,24964,bmse001312,BMET001312
40,covalent,SING,C14,C15,no,N,40,,24964,bmse001312,BMET001312
41,covalent,SING,C15,C8,no,N,41,,24964,bmse001312,BMET001312
42,covalent,SING,C15,C13,no,N,42,,24964,bmse001312,BMET001312
43,covalent,SING,O16,C15,no,N,43,,24964,bmse001312,BMET001312
44,covalent,SING,O16,H42,no,N,44,,24964,bmse001312,BMET001312
1,covalent,SING,C1,H31,no,N,1,,24988,bmse001313,BMET001313
2,covalent,SING,C1,H32,no,N,2,,24988,bmse001313,BMET001313
3,covalent,SING,C1,H33,no,N,3,,24988,bmse001313,BMET001313
4,covalent,SING,C2,H34,no,N,4,,24988,bmse001313,BMET001313
5,covalent,SING,C2,H35,no,N,5,,24988,bmse001313,BMET001313
6,covalent,SING,C2,H36,no,N,6,,24988,bmse001313,BMET001313
7,covalent,SING,C3,H37,no,N,7,,24988,bmse001313,BMET001313
8,covalent,SING,C3,H38,no,N,8,,24988,bmse001313,BMET001313
9,covalent,SING,C3,H39,no,N,9,,24988,bmse001313,BMET001313
10,covalent,SING,C4,H40,no,N,10,,24988,bmse001313,BMET001313
11,covalent,SING,C4,H41,no,N,11,,24988,bmse001313,BMET001313
12,covalent,SING,C4,H42,no,N,12,,24988,bmse001313,BMET001313
13,covalent,SING,C5,H43,no,N,13,,24988,bmse001313,BMET001313
14,covalent,SING,C5,H44,no,N,14,,24988,bmse001313,BMET001313
15,covalent,SING,C5,H45,no,N,15,,24988,bmse001313,BMET001313
16,covalent,AROM,C6,C7,yes,N,16,,24988,bmse001313,BMET001313
17,covalent,SING,C6,H46,no,N,17,,24988,bmse001313,BMET001313
18,covalent,AROM,C7,C17,yes,N,18,,24988,bmse001313,BMET001313
19,covalent,SING,C7,H47,no,N,19,,24988,bmse001313,BMET001313
20,covalent,AROM,C8,C18,yes,N,20,,24988,bmse001313,BMET001313
21,covalent,SING,C8,H48,no,N,21,,24988,bmse001313,BMET001313
22,covalent,AROM,C9,C19,yes,N,22,,24988,bmse001313,BMET001313
23,covalent,SING,C9,H49,no,N,23,,24988,bmse001313,BMET001313
24,covalent,AROM,C10,C20,yes,N,24,,24988,bmse001313,BMET001313
25,covalent,SING,C10,H50,no,N,25,,24988,bmse001313,BMET001313
26,covalent,SING,C11,H51,no,N,26,,24988,bmse001313,BMET001313
27,covalent,SING,C11,H52,no,N,27,,24988,bmse001313,BMET001313
28,covalent,SING,C12,H53,no,N,28,,24988,bmse001313,BMET001313
29,covalent,SING,C12,H54,no,N,29,,24988,bmse001313,BMET001313
30,covalent,AROM,C13,C6,yes,N,30,,24988,bmse001313,BMET001313
31,covalent,AROM,C13,C8,yes,N,31,,24988,bmse001313,BMET001313
32,covalent,AROM,C14,C9,yes,N,32,,24988,bmse001313,BMET001313
33,covalent,AROM,C14,C10,yes,N,33,,24988,bmse001313,BMET001313
34,covalent,SING,C15,C11,no,N,34,,24988,bmse001313,BMET001313
35,covalent,SING,C15,C21,no,N,35,,24988,bmse001313,BMET001313
36,covalent,SING,C15,H55,no,N,36,,24988,bmse001313,BMET001313
37,covalent,SING,C16,C12,no,N,37,,24988,bmse001313,BMET001313
38,covalent,SING,C16,C15,no,N,38,,24988,bmse001313,BMET001313
39,covalent,SING,C16,C22,no,N,39,,24988,bmse001313,BMET001313
40,covalent,SING,C16,H56,no,N,40,,24988,bmse001313,BMET001313
41,covalent,AROM,C18,C17,yes,N,41,,24988,bmse001313,BMET001313
42,covalent,AROM,C19,C23,yes,N,42,,24988,bmse001313,BMET001313
43,covalent,AROM,C20,C23,yes,N,43,,24988,bmse001313,BMET001313
44,covalent,SING,C21,C13,no,N,44,,24988,bmse001313,BMET001313
45,covalent,SING,C21,H57,no,N,45,,24988,bmse001313,BMET001313
46,covalent,SING,C22,C14,no,N,46,,24988,bmse001313,BMET001313
47,covalent,SING,C22,H58,no,N,47,,24988,bmse001313,BMET001313
48,covalent,SING,O24,C1,no,N,48,,24988,bmse001313,BMET001313
49,covalent,SING,O24,C17,no,N,49,,24988,bmse001313,BMET001313
50,covalent,SING,O25,C2,no,N,50,,24988,bmse001313,BMET001313
51,covalent,SING,O25,C18,no,N,51,,24988,bmse001313,BMET001313
52,covalent,SING,O26,C3,no,N,52,,24988,bmse001313,BMET001313
53,covalent,SING,O26,C19,no,N,53,,24988,bmse001313,BMET001313
54,covalent,SING,O27,C4,no,N,54,,24988,bmse001313,BMET001313
55,covalent,SING,O27,C20,no,N,55,,24988,bmse001313,BMET001313
56,covalent,SING,O28,C5,no,N,56,,24988,bmse001313,BMET001313
57,covalent,SING,O28,C23,no,N,57,,24988,bmse001313,BMET001313
58,covalent,SING,O29,C12,no,N,58,,24988,bmse001313,BMET001313
59,covalent,SING,O29,C21,no,N,59,,24988,bmse001313,BMET001313
60,covalent,SING,O30,C11,no,N,60,,24988,bmse001313,BMET001313
61,covalent,SING,O30,C22,no,N,61,,24988,bmse001313,BMET001313
1,covalent,SING,C1,H17,no,N,1,,25012,bmse001314,BMET001314
2,covalent,SING,C1,H18,no,N,2,,25012,bmse001314,BMET001314
3,covalent,SING,C1,H19,no,N,3,,25012,bmse001314,BMET001314
4,covalent,SING,C2,H20,no,N,4,,25012,bmse001314,BMET001314
5,covalent,SING,C3,C2,no,N,5,,25012,bmse001314,BMET001314
6,covalent,SING,C3,H21,no,N,6,,25012,bmse001314,BMET001314
7,covalent,SING,C3,H22,no,N,7,,25012,bmse001314,BMET001314
8,covalent,SING,C4,H23,no,N,8,,25012,bmse001314,BMET001314
9,covalent,SING,C4,H24,no,N,9,,25012,bmse001314,BMET001314
10,covalent,SING,C5,H25,no,N,10,,25012,bmse001314,BMET001314
11,covalent,DOUB,C6,C2,no,N,11,,25012,bmse001314,BMET001314
12,covalent,SING,C6,C4,no,N,12,,25012,bmse001314,BMET001314
13,covalent,SING,C7,C3,no,N,13,,25012,bmse001314,BMET001314
14,covalent,SING,C7,C8,no,N,14,,25012,bmse001314,BMET001314
15,covalent,SING,C7,H26,no,N,15,,25012,bmse001314,BMET001314
16,covalent,DOUB,C8,C5,no,N,16,,25012,bmse001314,BMET001314
17,covalent,SING,C8,C10,no,N,17,,25012,bmse001314,BMET001314
18,covalent,SING,C9,C6,no,N,18,,25012,bmse001314,BMET001314
19,covalent,SING,C9,C7,no,N,19,,25012,bmse001314,BMET001314
20,covalent,SING,C9,C11,no,N,20,,25012,bmse001314,BMET001314
21,covalent,SING,C9,H27,no,N,21,,25012,bmse001314,BMET001314
22,covalent,SING,C11,H28,no,N,22,,25012,bmse001314,BMET001314
23,covalent,SING,O12,C4,no,N,23,,25012,bmse001314,BMET001314
24,covalent,SING,O12,H29,no,N,24,,25012,bmse001314,BMET001314
25,carbonyl,DOUB,O13,C10,no,N,25,,25012,bmse001314,BMET001314
26,covalent,SING,O14,C11,no,N,26,,25012,bmse001314,BMET001314
27,covalent,SING,O14,H30,no,N,27,,25012,bmse001314,BMET001314
28,covalent,SING,O15,C1,no,N,28,,25012,bmse001314,BMET001314
29,ester,SING,O15,C10,no,N,29,,25012,bmse001314,BMET001314
30,covalent,SING,O16,C5,no,N,30,,25012,bmse001314,BMET001314
31,covalent,SING,O16,C11,no,N,31,,25012,bmse001314,BMET001314
1,covalent,SING,C1,H20,no,N,1,,25036,bmse001315,BMET001315
2,covalent,SING,C1,H21,no,N,2,,25036,bmse001315,BMET001315
3,covalent,SING,C2,H22,no,N,3,,25036,bmse001315,BMET001315
4,covalent,SING,C2,H23,no,N,4,,25036,bmse001315,BMET001315
5,covalent,SING,C2,H24,no,N,5,,25036,bmse001315,BMET001315
6,covalent,SING,C3,H25,no,N,6,,25036,bmse001315,BMET001315
7,covalent,SING,C3,H26,no,N,7,,25036,bmse001315,BMET001315
8,covalent,SING,C3,H27,no,N,8,,25036,bmse001315,BMET001315
9,covalent,SING,C4,H28,no,N,9,,25036,bmse001315,BMET001315
10,covalent,SING,C4,H29,no,N,10,,25036,bmse001315,BMET001315
11,covalent,SING,C4,H30,no,N,11,,25036,bmse001315,BMET001315
12,covalent,DOUB,C5,C1,no,N,12,,25036,bmse001315,BMET001315
13,covalent,SING,C5,H31,no,N,13,,25036,bmse001315,BMET001315
14,covalent,SING,C6,C7,no,N,14,,25036,bmse001315,BMET001315
15,covalent,SING,C6,H32,no,N,15,,25036,bmse001315,BMET001315
16,covalent,SING,C6,H33,no,N,16,,25036,bmse001315,BMET001315
17,covalent,DOUB,C7,C15,no,N,17,,25036,bmse001315,BMET001315
18,covalent,SING,C7,H34,no,N,18,,25036,bmse001315,BMET001315
19,covalent,AROM,C8,C10,yes,N,19,,25036,bmse001315,BMET001315
20,covalent,SING,C8,H35,no,N,20,,25036,bmse001315,BMET001315
21,covalent,AROM,C9,C11,yes,N,21,,25036,bmse001315,BMET001315
22,covalent,SING,C9,H36,no,N,22,,25036,bmse001315,BMET001315
23,covalent,AROM,C10,C17,yes,N,23,,25036,bmse001315,BMET001315
24,covalent,SING,C10,H37,no,N,24,,25036,bmse001315,BMET001315
25,covalent,AROM,C11,C17,yes,N,25,,25036,bmse001315,BMET001315
26,covalent,SING,C11,H38,no,N,26,,25036,bmse001315,BMET001315
27,covalent,SING,C12,C16,no,N,27,,25036,bmse001315,BMET001315
28,covalent,SING,C12,H39,no,N,28,,25036,bmse001315,BMET001315
29,covalent,SING,C13,C6,no,N,29,,25036,bmse001315,BMET001315
30,covalent,SING,C13,H40,no,N,30,,25036,bmse001315,BMET001315
31,covalent,SING,C13,H41,no,N,31,,25036,bmse001315,BMET001315
32,covalent,DOUB,C14,C12,no,E,32,,25036,bmse001315,BMET001315
33,covalent,SING,C14,H42,no,N,33,,25036,bmse001315,BMET001315
34,covalent,SING,C15,C2,no,N,34,,25036,bmse001315,BMET001315
35,covalent,SING,C15,C3,no,N,35,,25036,bmse001315,BMET001315
36,covalent,AROM,C16,C8,yes,N,36,,25036,bmse001315,BMET001315
37,covalent,AROM,C16,C9,yes,N,37,,25036,bmse001315,BMET001315
38,covalent,SING,C18,C4,no,N,38,,25036,bmse001315,BMET001315
39,covalent,SING,C18,C5,no,N,39,,25036,bmse001315,BMET001315
40,covalent,SING,C18,C13,no,N,40,,25036,bmse001315,BMET001315
41,covalent,SING,C18,C14,no,N,41,,25036,bmse001315,BMET001315
42,covalent,SING,O19,C17,no,N,42,,25036,bmse001315,BMET001315
43,covalent,SING,O19,H43,no,N,43,,25036,bmse001315,BMET001315
1,covalent,SING,C1,H21,no,N,1,,25060,bmse001316,BMET001316
2,covalent,SING,C1,H22,no,N,2,,25060,bmse001316,BMET001316
3,covalent,SING,C1,H23,no,N,3,,25060,bmse001316,BMET001316
4,covalent,SING,C2,H24,no,N,4,,25060,bmse001316,BMET001316
5,covalent,AROM,C3,C2,yes,N,5,,25060,bmse001316,BMET001316
6,covalent,SING,C3,H25,no,N,6,,25060,bmse001316,BMET001316
7,covalent,AROM,C4,C2,yes,N,7,,25060,bmse001316,BMET001316
8,covalent,SING,C4,H26,no,N,8,,25060,bmse001316,BMET001316
9,covalent,AROM,C5,C3,yes,N,9,,25060,bmse001316,BMET001316
10,covalent,SING,C5,H27,no,N,10,,25060,bmse001316,BMET001316
11,covalent,AROM,C6,C4,yes,N,11,,25060,bmse001316,BMET001316
12,covalent,SING,C6,H28,no,N,12,,25060,bmse001316,BMET001316
13,covalent,SING,C7,H29,no,N,13,,25060,bmse001316,BMET001316
14,covalent,DOUB,C8,C7,no,E,14,,25060,bmse001316,BMET001316
15,covalent,SING,C8,H30,no,N,15,,25060,bmse001316,BMET001316
16,covalent,AROM,C9,C12,yes,N,16,,25060,bmse001316,BMET001316
17,covalent,SING,C9,H31,no,N,17,,25060,bmse001316,BMET001316
18,covalent,AROM,C10,C12,yes,N,18,,25060,bmse001316,BMET001316
19,covalent,SING,C10,H32,no,N,19,,25060,bmse001316,BMET001316
20,covalent,AROM,C11,C5,yes,N,20,,25060,bmse001316,BMET001316
21,covalent,AROM,C11,C6,yes,N,21,,25060,bmse001316,BMET001316
22,covalent,SING,C11,C7,no,N,22,,25060,bmse001316,BMET001316
23,covalent,SING,C13,C8,no,N,23,,25060,bmse001316,BMET001316
24,covalent,AROM,C14,C9,yes,N,24,,25060,bmse001316,BMET001316
25,covalent,AROM,C15,C10,yes,N,25,,25060,bmse001316,BMET001316
26,covalent,SING,C16,C13,no,N,26,,25060,bmse001316,BMET001316
27,covalent,AROM,C16,C14,yes,N,27,,25060,bmse001316,BMET001316
28,covalent,AROM,C16,C15,yes,N,28,,25060,bmse001316,BMET001316
29,covalent,SING,O17,C12,no,N,29,,25060,bmse001316,BMET001316
30,covalent,SING,O17,H33,no,N,30,,25060,bmse001316,BMET001316
31,carbonyl,DOUB,O18,C13,no,N,31,,25060,bmse001316,BMET001316
32,covalent,SING,O19,C14,no,N,32,,25060,bmse001316,BMET001316
33,covalent,SING,O19,H34,no,N,33,,25060,bmse001316,BMET001316
34,covalent,SING,O20,C1,no,N,34,,25060,bmse001316,BMET001316
35,covalent,SING,O20,C15,no,N,35,,25060,bmse001316,BMET001316
1,covalent,SING,C1,H35,no,N,1,,25084,bmse001317,BMET001317
2,covalent,SING,C1,H36,no,N,2,,25084,bmse001317,BMET001317
3,covalent,SING,C1,H37,no,N,3,,25084,bmse001317,BMET001317
4,covalent,SING,C2,H38,no,N,4,,25084,bmse001317,BMET001317
5,covalent,SING,C2,H39,no,N,5,,25084,bmse001317,BMET001317
6,covalent,SING,C2,H40,no,N,6,,25084,bmse001317,BMET001317
7,covalent,SING,C3,H41,no,N,7,,25084,bmse001317,BMET001317
8,covalent,SING,C3,H42,no,N,8,,25084,bmse001317,BMET001317
9,covalent,SING,C3,H43,no,N,9,,25084,bmse001317,BMET001317
10,covalent,SING,C4,H44,no,N,10,,25084,bmse001317,BMET001317
11,covalent,SING,C4,H45,no,N,11,,25084,bmse001317,BMET001317
12,covalent,SING,C4,H46,no,N,12,,25084,bmse001317,BMET001317
13,covalent,SING,C5,H47,no,N,13,,25084,bmse001317,BMET001317
14,covalent,SING,C5,H48,no,N,14,,25084,bmse001317,BMET001317
15,covalent,SING,C5,H49,no,N,15,,25084,bmse001317,BMET001317
16,covalent,SING,C6,H50,no,N,16,,25084,bmse001317,BMET001317
17,covalent,SING,C6,H51,no,N,17,,25084,bmse001317,BMET001317
18,covalent,SING,C6,H52,no,N,18,,25084,bmse001317,BMET001317
19,covalent,SING,C7,H53,no,N,19,,25084,bmse001317,BMET001317
20,covalent,SING,C7,H54,no,N,20,,25084,bmse001317,BMET001317
21,covalent,SING,C7,H55,no,N,21,,25084,bmse001317,BMET001317
22,covalent,SING,C8,H56,no,N,22,,25084,bmse001317,BMET001317
23,covalent,SING,C8,H57,no,N,23,,25084,bmse001317,BMET001317
24,covalent,SING,C8,H58,no,N,24,,25084,bmse001317,BMET001317
25,covalent,SING,C9,C12,no,N,25,,25084,bmse001317,BMET001317
26,covalent,SING,C9,H59,no,N,26,,25084,bmse001317,BMET001317
27,covalent,SING,C9,H60,no,N,27,,25084,bmse001317,BMET001317
28,covalent,SING,C10,H61,no,N,28,,25084,bmse001317,BMET001317
29,covalent,SING,C10,H62,no,N,29,,25084,bmse001317,BMET001317
30,covalent,SING,C11,H63,no,N,30,,25084,bmse001317,BMET001317
31,covalent,SING,C11,H64,no,N,31,,25084,bmse001317,BMET001317
32,covalent,SING,C12,H65,no,N,32,,25084,bmse001317,BMET001317
33,covalent,SING,C12,H66,no,N,33,,25084,bmse001317,BMET001317
34,covalent,SING,C13,C9,no,N,34,,25084,bmse001317,BMET001317
35,covalent,SING,C13,H67,no,N,35,,25084,bmse001317,BMET001317
36,covalent,SING,C13,H68,no,N,36,,25084,bmse001317,BMET001317
37,covalent,SING,C14,C11,no,N,37,,25084,bmse001317,BMET001317
38,covalent,SING,C14,H69,no,N,38,,25084,bmse001317,BMET001317
39,covalent,SING,C14,H70,no,N,39,,25084,bmse001317,BMET001317
40,covalent,SING,C15,C10,no,N,40,,25084,bmse001317,BMET001317
41,covalent,SING,C15,H71,no,N,41,,25084,bmse001317,BMET001317
42,covalent,SING,C15,H72,no,N,42,,25084,bmse001317,BMET001317
43,covalent,SING,C16,C19,no,N,43,,25084,bmse001317,BMET001317
44,covalent,SING,C16,H73,no,N,44,,25084,bmse001317,BMET001317
45,covalent,SING,C16,H74,no,N,45,,25084,bmse001317,BMET001317
46,covalent,SING,C17,C20,no,N,46,,25084,bmse001317,BMET001317
47,covalent,SING,C17,H75,no,N,47,,25084,bmse001317,BMET001317
48,covalent,SING,C17,H76,no,N,48,,25084,bmse001317,BMET001317
49,covalent,SING,C18,C10,no,N,49,,25084,bmse001317,BMET001317
50,covalent,SING,C18,C30,no,N,50,,25084,bmse001317,BMET001317
51,covalent,SING,C18,H77,no,N,51,,25084,bmse001317,BMET001317
52,covalent,SING,C19,H78,no,N,52,,25084,bmse001317,BMET001317
53,covalent,SING,C20,H79,no,N,53,,25084,bmse001317,BMET001317
54,covalent,SING,C21,C16,no,N,54,,25084,bmse001317,BMET001317
55,covalent,SING,C21,C27,no,N,55,,25084,bmse001317,BMET001317
56,covalent,SING,C21,H80,no,N,56,,25084,bmse001317,BMET001317
57,covalent,SING,C22,C11,no,N,57,,25084,bmse001317,BMET001317
58,covalent,SING,C22,H81,no,N,58,,25084,bmse001317,BMET001317
59,covalent,SING,C23,C18,no,N,59,,25084,bmse001317,BMET001317
60,covalent,SING,C23,C19,no,N,60,,25084,bmse001317,BMET001317
61,covalent,SING,C23,H82,no,N,61,,25084,bmse001317,BMET001317
62,covalent,SING,C24,C20,no,N,62,,25084,bmse001317,BMET001317
63,covalent,SING,C24,C26,no,N,63,,25084,bmse001317,BMET001317
64,covalent,SING,C24,H83,no,N,64,,25084,bmse001317,BMET001317
65,covalent,SING,C25,C1,no,N,65,,25084,bmse001317,BMET001317
66,covalent,SING,C25,C2,no,N,66,,25084,bmse001317,BMET001317
67,covalent,SING,C25,C12,no,N,67,,25084,bmse001317,BMET001317
68,covalent,SING,C26,C3,no,N,68,,25084,bmse001317,BMET001317
69,covalent,SING,C26,C4,no,N,69,,25084,bmse001317,BMET001317
70,covalent,SING,C26,C22,no,N,70,,25084,bmse001317,BMET001317
71,covalent,SING,C27,C5,no,N,71,,25084,bmse001317,BMET001317
72,covalent,SING,C27,C14,no,N,72,,25084,bmse001317,BMET001317
73,covalent,SING,C27,C24,no,N,73,,25084,bmse001317,BMET001317
74,covalent,SING,C28,C6,no,N,74,,25084,bmse001317,BMET001317
75,covalent,SING,C28,C15,no,N,75,,25084,bmse001317,BMET001317
76,covalent,SING,C28,C23,no,N,76,,25084,bmse001317,BMET001317
77,covalent,SING,C29,C7,no,N,77,,25084,bmse001317,BMET001317
78,covalent,SING,C29,C17,no,N,78,,25084,bmse001317,BMET001317
79,covalent,SING,C29,C21,no,N,79,,25084,bmse001317,BMET001317
80,covalent,SING,C29,C28,no,N,80,,25084,bmse001317,BMET001317
81,covalent,SING,C30,C8,no,N,81,,25084,bmse001317,BMET001317
82,covalent,SING,C30,C13,no,N,82,,25084,bmse001317,BMET001317
83,covalent,SING,O31,C19,no,N,83,,25084,bmse001317,BMET001317
84,covalent,SING,O31,H84,no,N,84,,25084,bmse001317,BMET001317
85,covalent,SING,O32,C20,no,N,85,,25084,bmse001317,BMET001317
86,covalent,SING,O32,H85,no,N,86,,25084,bmse001317,BMET001317
87,covalent,SING,O33,C22,no,N,87,,25084,bmse001317,BMET001317
88,covalent,SING,O33,H86,no,N,88,,25084,bmse001317,BMET001317
89,covalent,SING,O34,C25,no,N,89,,25084,bmse001317,BMET001317
90,covalent,SING,O34,C30,no,N,90,,25084,bmse001317,BMET001317
1,covalent,SING,C1,H36,no,N,1,,25108,bmse001318,BMET001318
2,covalent,SING,C1,H37,no,N,2,,25108,bmse001318,BMET001318
3,covalent,SING,C1,H38,no,N,3,,25108,bmse001318,BMET001318
4,covalent,AROM,C2,C4,yes,N,4,,25108,bmse001318,BMET001318
5,covalent,SING,C2,H39,no,N,5,,25108,bmse001318,BMET001318
6,covalent,AROM,C3,C5,yes,N,6,,25108,bmse001318,BMET001318
7,covalent,SING,C3,H40,no,N,7,,25108,bmse001318,BMET001318
8,covalent,AROM,C4,C14,yes,N,8,,25108,bmse001318,BMET001318
9,covalent,SING,C4,H41,no,N,9,,25108,bmse001318,BMET001318
10,covalent,SING,C5,H42,no,N,10,,25108,bmse001318,BMET001318
11,covalent,AROM,C6,C17,yes,N,11,,25108,bmse001318,BMET001318
12,covalent,SING,C6,H43,no,N,12,,25108,bmse001318,BMET001318
13,covalent,SING,C7,H44,no,N,13,,25108,bmse001318,BMET001318
14,covalent,SING,C8,H45,no,N,14,,25108,bmse001318,BMET001318
15,covalent,AROM,C9,C13,yes,N,15,,25108,bmse001318,BMET001318
16,covalent,SING,C9,H46,no,N,16,,25108,bmse001318,BMET001318
17,covalent,SING,C10,H47,no,N,17,,25108,bmse001318,BMET001318
18,covalent,SING,C10,H48,no,N,18,,25108,bmse001318,BMET001318
19,covalent,AROM,C11,C2,yes,N,19,,25108,bmse001318,BMET001318
20,covalent,AROM,C11,C6,yes,N,20,,25108,bmse001318,BMET001318
21,covalent,AROM,C12,C3,yes,N,21,,25108,bmse001318,BMET001318
22,covalent,AROM,C12,C7,yes,N,22,,25108,bmse001318,BMET001318
23,covalent,AROM,C13,C8,yes,N,23,,25108,bmse001318,BMET001318
24,covalent,AROM,C15,C8,yes,N,24,,25108,bmse001318,BMET001318
25,covalent,AROM,C16,C5,yes,N,25,,25108,bmse001318,BMET001318
26,covalent,AROM,C17,C14,yes,N,26,,25108,bmse001318,BMET001318
27,covalent,AROM,C18,C7,yes,N,27,,25108,bmse001318,BMET001318
28,covalent,AROM,C18,C16,yes,N,28,,25108,bmse001318,BMET001318
29,covalent,AROM,C19,C9,yes,N,29,,25108,bmse001318,BMET001318
30,covalent,SING,C20,C10,no,N,30,,25108,bmse001318,BMET001318
31,covalent,SING,C20,H49,no,N,31,,25108,bmse001318,BMET001318
32,covalent,AROM,C21,C15,yes,N,32,,25108,bmse001318,BMET001318
33,covalent,AROM,C21,C19,yes,N,33,,25108,bmse001318,BMET001318
34,covalent,SING,C22,C21,no,N,34,,25108,bmse001318,BMET001318
35,covalent,SING,C23,C22,no,N,35,,25108,bmse001318,BMET001318
36,covalent,SING,C23,H50,no,N,36,,25108,bmse001318,BMET001318
37,covalent,SING,C24,C11,no,N,37,,25108,bmse001318,BMET001318
38,covalent,SING,C24,C20,no,N,38,,25108,bmse001318,BMET001318
39,covalent,SING,C24,H51,no,N,39,,25108,bmse001318,BMET001318
40,covalent,SING,C25,C12,no,N,40,,25108,bmse001318,BMET001318
41,covalent,SING,C25,C23,no,N,41,,25108,bmse001318,BMET001318
42,covalent,SING,C25,H52,no,N,42,,25108,bmse001318,BMET001318
43,covalent,SING,O26,C10,no,N,43,,25108,bmse001318,BMET001318
44,covalent,SING,O26,H53,no,N,44,,25108,bmse001318,BMET001318
45,covalent,SING,O27,C13,no,N,45,,25108,bmse001318,BMET001318
46,covalent,SING,O27,H54,no,N,46,,25108,bmse001318,BMET001318
47,covalent,SING,O28,C14,no,N,47,,25108,bmse001318,BMET001318
48,covalent,SING,O28,H55,no,N,48,,25108,bmse001318,BMET001318
49,covalent,SING,O29,C15,no,N,49,,25108,bmse001318,BMET001318
50,covalent,SING,O29,H56,no,N,50,,25108,bmse001318,BMET001318
51,carbonyl,DOUB,O30,C22,no,N,51,,25108,bmse001318,BMET001318
52,covalent,SING,O31,C23,no,N,52,,25108,bmse001318,BMET001318
53,covalent,SING,O31,H57,no,N,53,,25108,bmse001318,BMET001318
54,covalent,SING,O32,C1,no,N,54,,25108,bmse001318,BMET001318
55,covalent,SING,O32,C17,no,N,55,,25108,bmse001318,BMET001318
56,covalent,SING,O33,C16,no,N,56,,25108,bmse001318,BMET001318
57,covalent,SING,O33,C20,no,N,57,,25108,bmse001318,BMET001318
58,covalent,SING,O34,C18,no,N,58,,25108,bmse001318,BMET001318
59,covalent,SING,O34,C24,no,N,59,,25108,bmse001318,BMET001318
60,covalent,SING,O35,C19,no,N,60,,25108,bmse001318,BMET001318
61,covalent,SING,O35,C25,no,N,61,,25108,bmse001318,BMET001318
1,covalent,SING,C1,H18,no,N,1,,25132,bmse001319,BMET001319
2,covalent,SING,C1,H19,no,N,2,,25132,bmse001319,BMET001319
3,covalent,SING,C2,H20,no,N,3,,25132,bmse001319,BMET001319
4,covalent,SING,C2,H21,no,N,4,,25132,bmse001319,BMET001319
5,covalent,SING,C3,H22,no,N,5,,25132,bmse001319,BMET001319
6,covalent,SING,C3,H23,no,N,6,,25132,bmse001319,BMET001319
7,covalent,SING,C4,H24,no,N,7,,25132,bmse001319,BMET001319
8,covalent,SING,C4,H25,no,N,8,,25132,bmse001319,BMET001319
9,covalent,SING,C5,H26,no,N,9,,25132,bmse001319,BMET001319
10,covalent,SING,C5,H27,no,N,10,,25132,bmse001319,BMET001319
11,covalent,SING,C6,C5,no,N,11,,25132,bmse001319,BMET001319
12,covalent,SING,C6,H28,no,N,12,,25132,bmse001319,BMET001319
13,covalent,SING,C6,H29,no,N,13,,25132,bmse001319,BMET001319
14,covalent,SING,C7,C4,no,N,14,,25132,bmse001319,BMET001319
15,covalent,SING,C7,H30,no,N,15,,25132,bmse001319,BMET001319
16,covalent,SING,C7,H31,no,N,16,,25132,bmse001319,BMET001319
17,covalent,DOUB,C8,C1,no,N,17,,25132,bmse001319,BMET001319
18,covalent,SING,C8,C4,no,N,18,,25132,bmse001319,BMET001319
19,covalent,DOUB,C9,C2,no,N,19,,25132,bmse001319,BMET001319
20,covalent,SING,C9,C5,no,N,20,,25132,bmse001319,BMET001319
21,covalent,DOUB,C10,C3,no,N,21,,25132,bmse001319,BMET001319
22,covalent,SING,C10,C15,no,N,22,,25132,bmse001319,BMET001319
23,covalent,SING,C11,C6,no,N,23,,25132,bmse001319,BMET001319
24,covalent,SING,C11,C8,no,N,24,,25132,bmse001319,BMET001319
25,covalent,SING,C11,H32,no,N,25,,25132,bmse001319,BMET001319
26,covalent,SING,C12,C7,no,N,26,,25132,bmse001319,BMET001319
27,covalent,SING,C12,C10,no,N,27,,25132,bmse001319,BMET001319
28,covalent,SING,C12,H33,no,N,28,,25132,bmse001319,BMET001319
29,covalent,SING,C13,C9,no,N,29,,25132,bmse001319,BMET001319
30,covalent,SING,C13,C11,no,N,30,,25132,bmse001319,BMET001319
31,covalent,SING,C13,C14,no,N,31,,25132,bmse001319,BMET001319
32,covalent,SING,C13,H34,no,N,32,,25132,bmse001319,BMET001319
33,covalent,SING,C14,C12,no,N,33,,25132,bmse001319,BMET001319
34,covalent,SING,C14,H35,no,N,34,,25132,bmse001319,BMET001319
35,carbonyl,DOUB,O16,C15,no,N,35,,25132,bmse001319,BMET001319
36,covalent,SING,O17,C14,no,N,36,,25132,bmse001319,BMET001319
37,ester,SING,O17,C15,no,N,37,,25132,bmse001319,BMET001319
1,covalent,SING,C1,H21,no,N,1,,25156,bmse001320,BMET001320
2,covalent,AROM,C2,C1,yes,N,2,,25156,bmse001320,BMET001320
3,covalent,SING,C2,H22,no,N,3,,25156,bmse001320,BMET001320
4,covalent,AROM,C3,C1,yes,N,4,,25156,bmse001320,BMET001320
5,covalent,SING,C3,H23,no,N,5,,25156,bmse001320,BMET001320
6,covalent,AROM,C4,C2,yes,N,6,,25156,bmse001320,BMET001320
7,covalent,SING,C4,H24,no,N,7,,25156,bmse001320,BMET001320
8,covalent,AROM,C5,C3,yes,N,8,,25156,bmse001320,BMET001320
9,covalent,SING,C5,H25,no,N,9,,25156,bmse001320,BMET001320
10,covalent,SING,C6,H26,no,N,10,,25156,bmse001320,BMET001320
11,covalent,AROM,C7,C9,yes,N,11,,25156,bmse001320,BMET001320
12,covalent,SING,C7,H27,no,N,12,,25156,bmse001320,BMET001320
13,covalent,AROM,C8,C4,yes,N,13,,25156,bmse001320,BMET001320
14,covalent,AROM,C8,C5,yes,N,14,,25156,bmse001320,BMET001320
15,covalent,AROM,C9,C6,yes,N,15,,25156,bmse001320,BMET001320
16,covalent,AROM,C10,C6,yes,N,16,,25156,bmse001320,BMET001320
17,covalent,AROM,C11,C7,yes,N,17,,25156,bmse001320,BMET001320
18,covalent,AROM,C12,C10,yes,N,18,,25156,bmse001320,BMET001320
19,covalent,AROM,C12,C11,yes,N,19,,25156,bmse001320,BMET001320
20,covalent,AROM,C12,C13,yes,N,20,,25156,bmse001320,BMET001320
21,covalent,AROM,C13,C14,yes,N,21,,25156,bmse001320,BMET001320
22,covalent,SING,C15,C8,no,N,22,,25156,bmse001320,BMET001320
23,covalent,AROM,C15,C14,yes,N,23,,25156,bmse001320,BMET001320
24,covalent,SING,O16,C9,no,N,24,,25156,bmse001320,BMET001320
25,covalent,SING,O16,H28,no,N,25,,25156,bmse001320,BMET001320
26,covalent,SING,O17,C10,no,N,26,,25156,bmse001320,BMET001320
27,covalent,SING,O17,H29,no,N,27,,25156,bmse001320,BMET001320
28,carbonyl,DOUB,O18,C13,no,N,28,,25156,bmse001320,BMET001320
29,covalent,SING,O19,C14,no,N,29,,25156,bmse001320,BMET001320
30,covalent,SING,O19,H30,no,N,30,,25156,bmse001320,BMET001320
31,covalent,AROM,O20,C11,yes,N,31,,25156,bmse001320,BMET001320
32,covalent,AROM,O20,C15,yes,N,32,,25156,bmse001320,BMET001320
1,covalent,SING,C1,H20,no,N,1,,25180,bmse001321,BMET001321
2,covalent,SING,C1,H21,no,N,2,,25180,bmse001321,BMET001321
3,covalent,SING,C1,H22,no,N,3,,25180,bmse001321,BMET001321
4,covalent,SING,C2,H23,no,N,4,,25180,bmse001321,BMET001321
5,covalent,SING,C2,H24,no,N,5,,25180,bmse001321,BMET001321
6,covalent,SING,C2,H25,no,N,6,,25180,bmse001321,BMET001321
7,covalent,SING,C3,H26,no,N,7,,25180,bmse001321,BMET001321
8,covalent,DOUB,C4,C3,no,E,8,,25180,bmse001321,BMET001321
9,covalent,SING,C4,H27,no,N,9,,25180,bmse001321,BMET001321
10,covalent,AROM,C5,C7,yes,N,10,,25180,bmse001321,BMET001321
11,covalent,SING,C5,H28,no,N,11,,25180,bmse001321,BMET001321
12,covalent,AROM,C6,C8,yes,N,12,,25180,bmse001321,BMET001321
13,covalent,SING,C6,H29,no,N,13,,25180,bmse001321,BMET001321
14,covalent,AROM,C7,C14,yes,N,14,,25180,bmse001321,BMET001321
15,covalent,SING,C7,H30,no,N,15,,25180,bmse001321,BMET001321
16,covalent,AROM,C8,C14,yes,N,16,,25180,bmse001321,BMET001321
17,covalent,SING,C8,H31,no,N,17,,25180,bmse001321,BMET001321
18,covalent,AROM,C9,C15,yes,N,18,,25180,bmse001321,BMET001321
19,covalent,SING,C9,H32,no,N,19,,25180,bmse001321,BMET001321
20,covalent,AROM,C10,C16,yes,N,20,,25180,bmse001321,BMET001321
21,covalent,SING,C10,H33,no,N,21,,25180,bmse001321,BMET001321
22,covalent,SING,C11,H34,no,N,22,,25180,bmse001321,BMET001321
23,covalent,SING,C12,C3,no,N,23,,25180,bmse001321,BMET001321
24,covalent,AROM,C12,C5,yes,N,24,,25180,bmse001321,BMET001321
25,covalent,AROM,C12,C6,yes,N,25,,25180,bmse001321,BMET001321
26,covalent,SING,C13,C4,no,N,26,,25180,bmse001321,BMET001321
27,covalent,AROM,C13,C9,yes,N,27,,25180,bmse001321,BMET001321
28,covalent,AROM,C13,C10,yes,N,28,,25180,bmse001321,BMET001321
29,covalent,AROM,C15,C11,yes,N,29,,25180,bmse001321,BMET001321
30,covalent,AROM,C16,C11,yes,N,30,,25180,bmse001321,BMET001321
31,covalent,SING,O17,C14,no,N,31,,25180,bmse001321,BMET001321
32,covalent,SING,O17,H35,no,N,32,,25180,bmse001321,BMET001321
33,covalent,SING,O18,C1,no,N,33,,25180,bmse001321,BMET001321
34,covalent,SING,O18,C15,no,N,34,,25180,bmse001321,BMET001321
35,covalent,SING,O19,C2,no,N,35,,25180,bmse001321,BMET001321
36,covalent,SING,O19,C16,no,N,36,,25180,bmse001321,BMET001321
1,covalent,SING,C1,H20,no,N,1,,25204,bmse001322,BMET001322
2,covalent,AROM,C2,C1,yes,N,2,,25204,bmse001322,BMET001322
3,covalent,SING,C2,H21,no,N,3,,25204,bmse001322,BMET001322
4,covalent,AROM,C3,C1,yes,N,4,,25204,bmse001322,BMET001322
5,covalent,SING,C3,H22,no,N,5,,25204,bmse001322,BMET001322
6,covalent,AROM,C4,C2,yes,N,6,,25204,bmse001322,BMET001322
7,covalent,SING,C4,H23,no,N,7,,25204,bmse001322,BMET001322
8,covalent,SING,C5,H24,no,N,8,,25204,bmse001322,BMET001322
9,covalent,AROM,C6,C3,yes,N,9,,25204,bmse001322,BMET001322
10,covalent,SING,C6,C12,no,N,10,,25204,bmse001322,BMET001322
11,covalent,AROM,C7,C4,yes,N,11,,25204,bmse001322,BMET001322
12,covalent,AROM,C7,C6,yes,N,12,,25204,bmse001322,BMET001322
13,covalent,SING,C7,C13,no,N,13,,25204,bmse001322,BMET001322
14,covalent,AROM,C8,C5,yes,N,14,,25204,bmse001322,BMET001322
15,covalent,AROM,C9,C5,yes,N,15,,25204,bmse001322,BMET001322
16,covalent,AROM,C10,C8,yes,N,16,,25204,bmse001322,BMET001322
17,covalent,SING,C10,C12,no,N,17,,25204,bmse001322,BMET001322
18,covalent,AROM,C11,C10,yes,N,18,,25204,bmse001322,BMET001322
19,covalent,SING,C11,C13,no,N,19,,25204,bmse001322,BMET001322
20,covalent,AROM,C11,C14,yes,N,20,,25204,bmse001322,BMET001322
21,covalent,AROM,C14,C9,yes,N,21,,25204,bmse001322,BMET001322
22,covalent,SING,O15,C8,no,N,22,,25204,bmse001322,BMET001322
23,covalent,SING,O15,H25,no,N,23,,25204,bmse001322,BMET001322
24,covalent,SING,O16,C9,no,N,24,,25204,bmse001322,BMET001322
25,covalent,SING,O16,H26,no,N,25,,25204,bmse001322,BMET001322
26,carbonyl,DOUB,O17,C12,no,N,26,,25204,bmse001322,BMET001322
27,carbonyl,DOUB,O18,C13,no,N,27,,25204,bmse001322,BMET001322
28,covalent,SING,O19,C14,no,N,28,,25204,bmse001322,BMET001322
29,covalent,SING,O19,H27,no,N,29,,25204,bmse001322,BMET001322
1,covalent,SING,C1,H13,no,N,1,,25228,bmse001323,BMET001323
2,covalent,SING,C1,H14,no,N,2,,25228,bmse001323,BMET001323
3,covalent,SING,C1,H15,no,N,3,,25228,bmse001323,BMET001323
4,covalent,SING,C2,H16,no,N,4,,25228,bmse001323,BMET001323
5,covalent,SING,C2,H17,no,N,5,,25228,bmse001323,BMET001323
6,covalent,SING,C2,H18,no,N,6,,25228,bmse001323,BMET001323
7,covalent,SING,C3,H19,no,N,7,,25228,bmse001323,BMET001323
8,covalent,AROM,C4,C3,yes,N,8,,25228,bmse001323,BMET001323
9,covalent,SING,C4,H20,no,N,9,,25228,bmse001323,BMET001323
10,covalent,SING,C5,H21,no,N,10,,25228,bmse001323,BMET001323
11,covalent,SING,C6,C1,no,N,11,,25228,bmse001323,BMET001323
12,covalent,AROM,C7,C3,yes,N,12,,25228,bmse001323,BMET001323
13,covalent,AROM,C7,C5,yes,N,13,,25228,bmse001323,BMET001323
14,covalent,AROM,C8,C4,yes,N,14,,25228,bmse001323,BMET001323
15,covalent,SING,C8,C6,no,N,15,,25228,bmse001323,BMET001323
16,covalent,AROM,C8,C9,yes,N,16,,25228,bmse001323,BMET001323
17,covalent,AROM,C9,C5,yes,N,17,,25228,bmse001323,BMET001323
18,carbonyl,DOUB,O10,C6,no,N,18,,25228,bmse001323,BMET001323
19,covalent,SING,O11,C9,no,N,19,,25228,bmse001323,BMET001323
20,covalent,SING,O11,H22,no,N,20,,25228,bmse001323,BMET001323
21,covalent,SING,O12,C2,no,N,21,,25228,bmse001323,BMET001323
22,covalent,SING,O12,C7,no,N,22,,25228,bmse001323,BMET001323
1,covalent,SING,C1,H27,no,N,1,,25252,bmse001324,BMET001324
2,covalent,SING,C1,H28,no,N,2,,25252,bmse001324,BMET001324
3,covalent,SING,C1,H29,no,N,3,,25252,bmse001324,BMET001324
4,covalent,SING,C2,C1,no,N,4,,25252,bmse001324,BMET001324
5,covalent,SING,C2,H30,no,N,5,,25252,bmse001324,BMET001324
6,covalent,SING,C2,H31,no,N,6,,25252,bmse001324,BMET001324
7,covalent,AROM,C3,C4,yes,N,7,,25252,bmse001324,BMET001324
8,covalent,SING,C3,H32,no,N,8,,25252,bmse001324,BMET001324
9,covalent,SING,C4,H33,no,N,9,,25252,bmse001324,BMET001324
10,covalent,AROM,C5,C3,yes,N,10,,25252,bmse001324,BMET001324
11,covalent,SING,C5,H34,no,N,11,,25252,bmse001324,BMET001324
12,covalent,AROM,C6,C4,yes,N,12,,25252,bmse001324,BMET001324
13,covalent,SING,C6,H35,no,N,13,,25252,bmse001324,BMET001324
14,covalent,AROM,C7,C11,yes,N,14,,25252,bmse001324,BMET001324
15,covalent,SING,C7,H36,no,N,15,,25252,bmse001324,BMET001324
16,covalent,SING,C8,H37,no,N,16,,25252,bmse001324,BMET001324
17,covalent,SING,C9,C12,no,N,17,,25252,bmse001324,BMET001324
18,covalent,SING,C9,H38,no,N,18,,25252,bmse001324,BMET001324
19,covalent,SING,C9,H39,no,N,19,,25252,bmse001324,BMET001324
20,covalent,SING,C10,H40,no,N,20,,25252,bmse001324,BMET001324
21,covalent,SING,C10,H41,no,N,21,,25252,bmse001324,BMET001324
22,covalent,AROM,C11,C5,yes,N,22,,25252,bmse001324,BMET001324
23,covalent,AROM,C11,C15,yes,N,23,,25252,bmse001324,BMET001324
24,covalent,AROM,C12,C7,yes,N,24,,25252,bmse001324,BMET001324
25,covalent,AROM,C12,C17,yes,N,25,,25252,bmse001324,BMET001324
26,covalent,SING,C13,C10,no,N,26,,25252,bmse001324,BMET001324
27,covalent,AROM,C13,C18,yes,N,27,,25252,bmse001324,BMET001324
28,covalent,AROM,C14,C8,yes,N,28,,25252,bmse001324,BMET001324
29,covalent,AROM,C14,C13,yes,N,29,,25252,bmse001324,BMET001324
30,covalent,AROM,C15,C6,yes,N,30,,25252,bmse001324,BMET001324
31,covalent,AROM,C16,C8,yes,N,31,,25252,bmse001324,BMET001324
32,covalent,SING,C16,C17,no,N,32,,25252,bmse001324,BMET001324
33,covalent,SING,C20,C2,no,N,33,,25252,bmse001324,BMET001324
34,covalent,SING,C20,C14,no,N,34,,25252,bmse001324,BMET001324
35,covalent,SING,C20,C19,no,N,35,,25252,bmse001324,BMET001324
36,covalent,AROM,N21,C15,yes,N,36,,25252,bmse001324,BMET001324
37,covalent,AROM,N21,C17,yes,N,37,,25252,bmse001324,BMET001324
38,covalent,SING,N22,C9,no,N,38,,25252,bmse001324,BMET001324
39,covalent,AROM,N22,C16,yes,N,39,,25252,bmse001324,BMET001324
40,amide,AROM,N22,C18,yes,N,40,,25252,bmse001324,BMET001324
41,carbonyl,DOUB,O23,C18,no,N,41,,25252,bmse001324,BMET001324
42,carbonyl,DOUB,O24,C19,no,N,42,,25252,bmse001324,BMET001324
43,covalent,SING,O25,C20,no,N,43,,25252,bmse001324,BMET001324
44,covalent,SING,O25,H42,no,N,44,,25252,bmse001324,BMET001324
45,covalent,SING,O26,C10,no,N,45,,25252,bmse001324,BMET001324
46,ester,SING,O26,C19,no,N,46,,25252,bmse001324,BMET001324
1,covalent,SING,C1,H35,no,N,1,,25276,bmse001325,BMET001325
2,covalent,SING,C1,H36,no,N,2,,25276,bmse001325,BMET001325
3,covalent,SING,C1,H37,no,N,3,,25276,bmse001325,BMET001325
4,covalent,SING,C2,H38,no,N,4,,25276,bmse001325,BMET001325
5,covalent,SING,C2,H39,no,N,5,,25276,bmse001325,BMET001325
6,covalent,SING,C2,H40,no,N,6,,25276,bmse001325,BMET001325
7,covalent,SING,C3,H41,no,N,7,,25276,bmse001325,BMET001325
8,covalent,SING,C3,H42,no,N,8,,25276,bmse001325,BMET001325
9,covalent,SING,C3,H43,no,N,9,,25276,bmse001325,BMET001325
10,covalent,SING,C4,H44,no,N,10,,25276,bmse001325,BMET001325
11,covalent,SING,C4,H45,no,N,11,,25276,bmse001325,BMET001325
12,covalent,SING,C4,H46,no,N,12,,25276,bmse001325,BMET001325
13,covalent,SING,C5,H47,no,N,13,,25276,bmse001325,BMET001325
14,covalent,SING,C5,H48,no,N,14,,25276,bmse001325,BMET001325
15,covalent,SING,C5,H49,no,N,15,,25276,bmse001325,BMET001325
16,covalent,SING,C6,H50,no,N,16,,25276,bmse001325,BMET001325
17,covalent,SING,C6,H51,no,N,17,,25276,bmse001325,BMET001325
18,covalent,SING,C6,H52,no,N,18,,25276,bmse001325,BMET001325
19,covalent,SING,C7,H53,no,N,19,,25276,bmse001325,BMET001325
20,covalent,SING,C7,H54,no,N,20,,25276,bmse001325,BMET001325
21,covalent,SING,C7,H55,no,N,21,,25276,bmse001325,BMET001325
22,covalent,SING,C8,H56,no,N,22,,25276,bmse001325,BMET001325
23,covalent,SING,C9,C8,no,N,23,,25276,bmse001325,BMET001325
24,covalent,SING,C9,H57,no,N,24,,25276,bmse001325,BMET001325
25,covalent,SING,C9,H58,no,N,25,,25276,bmse001325,BMET001325
26,covalent,SING,C10,H59,no,N,26,,25276,bmse001325,BMET001325
27,covalent,SING,C10,H60,no,N,27,,25276,bmse001325,BMET001325
28,covalent,SING,C11,C10,no,N,28,,25276,bmse001325,BMET001325
29,covalent,SING,C11,H61,no,N,29,,25276,bmse001325,BMET001325
30,covalent,SING,C11,H62,no,N,30,,25276,bmse001325,BMET001325
31,covalent,SING,C12,H63,no,N,31,,25276,bmse001325,BMET001325
32,covalent,SING,C12,H64,no,N,32,,25276,bmse001325,BMET001325
33,covalent,SING,C13,C15,no,N,33,,25276,bmse001325,BMET001325
34,covalent,SING,C13,H65,no,N,34,,25276,bmse001325,BMET001325
35,covalent,SING,C13,H66,no,N,35,,25276,bmse001325,BMET001325
36,covalent,SING,C14,C12,no,N,36,,25276,bmse001325,BMET001325
37,covalent,SING,C14,H67,no,N,37,,25276,bmse001325,BMET001325
38,covalent,SING,C14,H68,no,N,38,,25276,bmse001325,BMET001325
39,covalent,SING,C15,H69,no,N,39,,25276,bmse001325,BMET001325
40,covalent,SING,C15,H70,no,N,40,,25276,bmse001325,BMET001325
41,covalent,SING,C16,C25,no,N,41,,25276,bmse001325,BMET001325
42,covalent,SING,C16,H71,no,N,42,,25276,bmse001325,BMET001325
43,covalent,SING,C16,H72,no,N,43,,25276,bmse001325,BMET001325
44,covalent,SING,C17,C20,no,N,44,,25276,bmse001325,BMET001325
45,covalent,SING,C17,H73,no,N,45,,25276,bmse001325,BMET001325
46,covalent,SING,C17,H74,no,N,46,,25276,bmse001325,BMET001325
47,covalent,DOUB,C18,C8,no,N,47,,25276,bmse001325,BMET001325
48,covalent,SING,C18,C19,no,N,48,,25276,bmse001325,BMET001325
49,covalent,SING,C19,C16,no,N,49,,25276,bmse001325,BMET001325
50,covalent,SING,C19,C30,no,N,50,,25276,bmse001325,BMET001325
51,covalent,SING,C19,H75,no,N,51,,25276,bmse001325,BMET001325
52,covalent,SING,C20,H76,no,N,52,,25276,bmse001325,BMET001325
53,covalent,SING,C21,C10,no,N,53,,25276,bmse001325,BMET001325
54,covalent,SING,C21,C26,no,N,54,,25276,bmse001325,BMET001325
55,covalent,SING,C21,H77,no,N,55,,25276,bmse001325,BMET001325
56,covalent,SING,C22,C9,no,N,56,,25276,bmse001325,BMET001325
57,covalent,SING,C22,C27,no,N,57,,25276,bmse001325,BMET001325
58,covalent,SING,C22,H78,no,N,58,,25276,bmse001325,BMET001325
59,covalent,SING,C23,C20,no,N,59,,25276,bmse001325,BMET001325
60,covalent,SING,C23,H79,no,N,60,,25276,bmse001325,BMET001325
61,covalent,SING,C25,C1,no,N,61,,25276,bmse001325,BMET001325
62,covalent,SING,C25,C2,no,N,62,,25276,bmse001325,BMET001325
63,covalent,SING,C25,C12,no,N,63,,25276,bmse001325,BMET001325
64,covalent,SING,C26,C3,no,N,64,,25276,bmse001325,BMET001325
65,covalent,SING,C26,C4,no,N,65,,25276,bmse001325,BMET001325
66,covalent,SING,C26,C23,no,N,66,,25276,bmse001325,BMET001325
67,covalent,SING,C27,C5,no,N,67,,25276,bmse001325,BMET001325
68,covalent,SING,C27,C17,no,N,68,,25276,bmse001325,BMET001325
69,covalent,SING,C27,C21,no,N,69,,25276,bmse001325,BMET001325
70,covalent,SING,C28,C6,no,N,70,,25276,bmse001325,BMET001325
71,covalent,SING,C28,C13,no,N,71,,25276,bmse001325,BMET001325
72,covalent,SING,C28,C18,no,N,72,,25276,bmse001325,BMET001325
73,covalent,SING,C29,C7,no,N,73,,25276,bmse001325,BMET001325
74,covalent,SING,C29,C11,no,N,74,,25276,bmse001325,BMET001325
75,covalent,SING,C29,C22,no,N,75,,25276,bmse001325,BMET001325
76,covalent,SING,C29,C28,no,N,76,,25276,bmse001325,BMET001325
77,covalent,SING,C30,C14,no,N,77,,25276,bmse001325,BMET001325
78,covalent,SING,C30,C15,no,N,78,,25276,bmse001325,BMET001325
79,covalent,SING,C30,C24,no,N,79,,25276,bmse001325,BMET001325
80,covalent,SING,O31,C20,no,N,80,,25276,bmse001325,BMET001325
81,covalent,SING,O31,H80,no,N,81,,25276,bmse001325,BMET001325
82,covalent,SING,O32,C23,no,N,82,,25276,bmse001325,BMET001325
83,covalent,SING,O32,H81,no,N,83,,25276,bmse001325,BMET001325
84,ester,SING,O33,C24,no,N,84,,25276,bmse001325,BMET001325
85,covalent,SING,O33,H82,no,N,85,,25276,bmse001325,BMET001325
86,carbonyl,DOUB,O34,C24,no,N,86,,25276,bmse001325,BMET001325
1,covalent,SING,C1,H34,no,N,1,,25300,bmse001326,BMET001326
2,covalent,SING,C1,H35,no,N,2,,25300,bmse001326,BMET001326
3,covalent,SING,C1,H36,no,N,3,,25300,bmse001326,BMET001326
4,covalent,SING,C2,H37,no,N,4,,25300,bmse001326,BMET001326
5,covalent,SING,C3,H38,no,N,5,,25300,bmse001326,BMET001326
6,covalent,SING,C3,H39,no,N,6,,25300,bmse001326,BMET001326
7,covalent,SING,C4,H40,no,N,7,,25300,bmse001326,BMET001326
8,covalent,SING,C4,H41,no,N,8,,25300,bmse001326,BMET001326
9,covalent,SING,C5,C1,no,N,9,,25300,bmse001326,BMET001326
10,covalent,SING,C5,H42,no,N,10,,25300,bmse001326,BMET001326
11,covalent,SING,C6,C2,no,N,11,,25300,bmse001326,BMET001326
12,covalent,SING,C6,H43,no,N,12,,25300,bmse001326,BMET001326
13,covalent,SING,C7,C3,no,N,13,,25300,bmse001326,BMET001326
14,covalent,SING,C7,H44,no,N,14,,25300,bmse001326,BMET001326
15,covalent,SING,C8,C4,no,N,15,,25300,bmse001326,BMET001326
16,covalent,SING,C8,H45,no,N,16,,25300,bmse001326,BMET001326
17,covalent,SING,C9,C5,no,N,17,,25300,bmse001326,BMET001326
18,covalent,SING,C9,H46,no,N,18,,25300,bmse001326,BMET001326
19,covalent,SING,C10,C6,no,N,19,,25300,bmse001326,BMET001326
20,covalent,SING,C10,H47,no,N,20,,25300,bmse001326,BMET001326
21,covalent,SING,C11,C8,no,N,21,,25300,bmse001326,BMET001326
22,covalent,SING,C11,H48,no,N,22,,25300,bmse001326,BMET001326
23,covalent,SING,C12,C9,no,N,23,,25300,bmse001326,BMET001326
24,covalent,SING,C12,H49,no,N,24,,25300,bmse001326,BMET001326
25,covalent,SING,C13,C11,no,N,25,,25300,bmse001326,BMET001326
26,covalent,SING,C13,H50,no,N,26,,25300,bmse001326,BMET001326
27,covalent,SING,C14,C12,no,N,27,,25300,bmse001326,BMET001326
28,covalent,SING,C14,H51,no,N,28,,25300,bmse001326,BMET001326
29,covalent,SING,C15,C7,no,N,29,,25300,bmse001326,BMET001326
30,covalent,SING,C15,C10,no,N,30,,25300,bmse001326,BMET001326
31,covalent,SING,C15,H52,no,N,31,,25300,bmse001326,BMET001326
32,covalent,SING,C16,C13,no,N,32,,25300,bmse001326,BMET001326
33,covalent,SING,C16,C18,no,N,33,,25300,bmse001326,BMET001326
34,covalent,SING,C16,H53,no,N,34,,25300,bmse001326,BMET001326
35,covalent,SING,C17,C14,no,N,35,,25300,bmse001326,BMET001326
36,covalent,SING,C17,H54,no,N,36,,25300,bmse001326,BMET001326
37,covalent,SING,C18,H55,no,N,37,,25300,bmse001326,BMET001326
38,carbonyl,DOUB,O19,C2,no,N,38,,25300,bmse001326,BMET001326
39,covalent,SING,O20,C3,no,N,39,,25300,bmse001326,BMET001326
40,covalent,SING,O20,H56,no,N,40,,25300,bmse001326,BMET001326
41,covalent,SING,O21,C4,no,N,41,,25300,bmse001326,BMET001326
42,covalent,SING,O21,H57,no,N,42,,25300,bmse001326,BMET001326
43,covalent,SING,O22,C6,no,N,43,,25300,bmse001326,BMET001326
44,covalent,SING,O22,H58,no,N,44,,25300,bmse001326,BMET001326
45,covalent,SING,O23,C7,no,N,45,,25300,bmse001326,BMET001326
46,covalent,SING,O23,H59,no,N,46,,25300,bmse001326,BMET001326
47,covalent,SING,O24,C9,no,N,47,,25300,bmse001326,BMET001326
48,covalent,SING,O24,H60,no,N,48,,25300,bmse001326,BMET001326
49,covalent,SING,O25,C10,no,N,49,,25300,bmse001326,BMET001326
50,covalent,SING,O25,H61,no,N,50,,25300,bmse001326,BMET001326
51,covalent,SING,O26,C11,no,N,51,,25300,bmse001326,BMET001326
52,covalent,SING,O26,H62,no,N,52,,25300,bmse001326,BMET001326
53,covalent,SING,O27,C12,no,N,53,,25300,bmse001326,BMET001326
54,covalent,SING,O27,H63,no,N,54,,25300,bmse001326,BMET001326
55,covalent,SING,O28,C13,no,N,55,,25300,bmse001326,BMET001326
56,covalent,SING,O28,H64,no,N,56,,25300,bmse001326,BMET001326
57,covalent,SING,O29,C14,no,N,57,,25300,bmse001326,BMET001326
58,covalent,SING,O29,H65,no,N,58,,25300,bmse001326,BMET001326
59,covalent,SING,O30,C5,no,N,59,,25300,bmse001326,BMET001326
60,covalent,SING,O30,C17,no,N,60,,25300,bmse001326,BMET001326
61,covalent,SING,O31,C8,no,N,61,,25300,bmse001326,BMET001326
62,covalent,SING,O31,C18,no,N,62,,25300,bmse001326,BMET001326
63,covalent,SING,O32,C15,no,N,63,,25300,bmse001326,BMET001326
64,covalent,SING,O32,C18,no,N,64,,25300,bmse001326,BMET001326
65,covalent,SING,O33,C16,no,N,65,,25300,bmse001326,BMET001326
66,covalent,SING,O33,C17,no,N,66,,25300,bmse001326,BMET001326
1,covalent,SING,C1,H49,no,N,1,,25333,bmse001327,BMET001327
2,covalent,SING,C1,H50,no,N,2,,25333,bmse001327,BMET001327
3,covalent,SING,C1,H51,no,N,3,,25333,bmse001327,BMET001327
4,covalent,SING,C2,H52,no,N,4,,25333,bmse001327,BMET001327
5,covalent,SING,C2,H53,no,N,5,,25333,bmse001327,BMET001327
6,covalent,SING,C3,H54,no,N,6,,25333,bmse001327,BMET001327
7,covalent,SING,C3,H55,no,N,7,,25333,bmse001327,BMET001327
8,covalent,SING,C4,H56,no,N,8,,25333,bmse001327,BMET001327
9,covalent,SING,C4,H57,no,N,9,,25333,bmse001327,BMET001327
10,covalent,SING,C5,H58,no,N,10,,25333,bmse001327,BMET001327
11,covalent,SING,C5,H59,no,N,11,,25333,bmse001327,BMET001327
12,covalent,SING,C6,C1,no,N,12,,25333,bmse001327,BMET001327
13,covalent,SING,C7,C2,no,N,13,,25333,bmse001327,BMET001327
14,covalent,SING,C7,H60,no,N,14,,25333,bmse001327,BMET001327
15,covalent,SING,C8,C3,no,N,15,,25333,bmse001327,BMET001327
16,covalent,SING,C8,H61,no,N,16,,25333,bmse001327,BMET001327
17,covalent,SING,C9,C4,no,N,17,,25333,bmse001327,BMET001327
18,covalent,SING,C9,H62,no,N,18,,25333,bmse001327,BMET001327
19,covalent,SING,C10,C5,no,N,19,,25333,bmse001327,BMET001327
20,covalent,SING,C10,H63,no,N,20,,25333,bmse001327,BMET001327
21,covalent,SING,C11,C24,no,N,21,,25333,bmse001327,BMET001327
22,covalent,SING,C11,H64,no,N,22,,25333,bmse001327,BMET001327
23,covalent,SING,C12,C7,no,N,23,,25333,bmse001327,BMET001327
24,covalent,SING,C12,H65,no,N,24,,25333,bmse001327,BMET001327
25,covalent,SING,C13,C8,no,N,25,,25333,bmse001327,BMET001327
26,covalent,SING,C13,H66,no,N,26,,25333,bmse001327,BMET001327
27,covalent,SING,C14,C9,no,N,27,,25333,bmse001327,BMET001327
28,covalent,SING,C14,H67,no,N,28,,25333,bmse001327,BMET001327
29,covalent,SING,C15,C12,no,N,29,,25333,bmse001327,BMET001327
30,covalent,SING,C15,H68,no,N,30,,25333,bmse001327,BMET001327
31,covalent,SING,C16,C17,no,N,31,,25333,bmse001327,BMET001327
32,covalent,SING,C16,H69,no,N,32,,25333,bmse001327,BMET001327
33,covalent,SING,C17,C23,no,N,33,,25333,bmse001327,BMET001327
34,covalent,SING,C17,H70,no,N,34,,25333,bmse001327,BMET001327
35,covalent,SING,C18,C15,no,N,35,,25333,bmse001327,BMET001327
36,covalent,SING,C18,H71,no,N,36,,25333,bmse001327,BMET001327
37,covalent,SING,C19,C26,no,N,37,,25333,bmse001327,BMET001327
38,covalent,SING,C19,H72,no,N,38,,25333,bmse001327,BMET001327
39,covalent,SING,C20,C10,no,N,39,,25333,bmse001327,BMET001327
40,covalent,SING,C20,C16,no,N,40,,25333,bmse001327,BMET001327
41,covalent,SING,C20,H73,no,N,41,,25333,bmse001327,BMET001327
42,covalent,SING,C21,C11,no,N,42,,25333,bmse001327,BMET001327
43,covalent,SING,C21,C13,no,N,43,,25333,bmse001327,BMET001327
44,covalent,SING,C21,H74,no,N,44,,25333,bmse001327,BMET001327
45,covalent,SING,C22,C14,no,N,45,,25333,bmse001327,BMET001327
46,covalent,SING,C22,C19,no,N,46,,25333,bmse001327,BMET001327
47,covalent,SING,C22,H75,no,N,47,,25333,bmse001327,BMET001327
48,covalent,SING,C23,H76,no,N,48,,25333,bmse001327,BMET001327
49,covalent,SING,C24,H77,no,N,49,,25333,bmse001327,BMET001327
50,covalent,SING,C25,C18,no,N,50,,25333,bmse001327,BMET001327
51,covalent,SING,C25,H78,no,N,51,,25333,bmse001327,BMET001327
52,covalent,SING,C26,H79,no,N,52,,25333,bmse001327,BMET001327
53,amide,SING,N27,C6,no,N,53,,25333,bmse001327,BMET001327
54,covalent,SING,N27,C11,no,N,54,,25333,bmse001327,BMET001327
55,covalent,SING,N27,H80,no,N,55,,25333,bmse001327,BMET001327
56,covalent,SING,O28,C2,no,N,56,,25333,bmse001327,BMET001327
57,covalent,SING,O28,H81,no,N,57,,25333,bmse001327,BMET001327
58,covalent,SING,O29,C3,no,N,58,,25333,bmse001327,BMET001327
59,covalent,SING,O29,H82,no,N,59,,25333,bmse001327,BMET001327
60,covalent,SING,O30,C4,no,N,60,,25333,bmse001327,BMET001327
61,covalent,SING,O30,H83,no,N,61,,25333,bmse001327,BMET001327
62,covalent,SING,O31,C5,no,N,62,,25333,bmse001327,BMET001327
63,covalent,SING,O31,H84,no,N,63,,25333,bmse001327,BMET001327
64,carbonyl,DOUB,O32,C6,no,N,64,,25333,bmse001327,BMET001327
65,covalent,SING,O33,C12,no,N,65,,25333,bmse001327,BMET001327
66,covalent,SING,O33,H85,no,N,66,,25333,bmse001327,BMET001327
67,covalent,SING,O34,C13,no,N,67,,25333,bmse001327,BMET001327
68,covalent,SING,O34,H86,no,N,68,,25333,bmse001327,BMET001327
69,covalent,SING,O35,C14,no,N,69,,25333,bmse001327,BMET001327
70,covalent,SING,O35,H87,no,N,70,,25333,bmse001327,BMET001327
71,covalent,SING,O36,C15,no,N,71,,25333,bmse001327,BMET001327
72,covalent,SING,O36,H88,no,N,72,,25333,bmse001327,BMET001327
73,covalent,SING,O37,C16,no,N,73,,25333,bmse001327,BMET001327
74,covalent,SING,O37,H89,no,N,74,,25333,bmse001327,BMET001327
75,covalent,SING,O38,C17,no,N,75,,25333,bmse001327,BMET001327
76,covalent,SING,O38,H90,no,N,76,,25333,bmse001327,BMET001327
77,covalent,SING,O39,C18,no,N,77,,25333,bmse001327,BMET001327
78,covalent,SING,O39,H91,no,N,78,,25333,bmse001327,BMET001327
79,covalent,SING,O40,C19,no,N,79,,25333,bmse001327,BMET001327
80,covalent,SING,O40,H92,no,N,80,,25333,bmse001327,BMET001327
81,covalent,SING,O41,C23,no,N,81,,25333,bmse001327,BMET001327
82,covalent,SING,O41,H93,no,N,82,,25333,bmse001327,BMET001327
83,covalent,SING,O42,C10,no,N,83,,25333,bmse001327,BMET001327
84,covalent,SING,O42,C23,no,N,84,,25333,bmse001327,BMET001327
85,covalent,SING,O43,C8,no,N,85,,25333,bmse001327,BMET001327
86,covalent,SING,O43,C24,no,N,86,,25333,bmse001327,BMET001327
87,covalent,SING,O44,C7,no,N,87,,25333,bmse001327,BMET001327
88,covalent,SING,O44,C25,no,N,88,,25333,bmse001327,BMET001327
89,covalent,SING,O45,C9,no,N,89,,25333,bmse001327,BMET001327
90,covalent,SING,O45,C26,no,N,90,,25333,bmse001327,BMET001327
91,covalent,SING,O46,C20,no,N,91,,25333,bmse001327,BMET001327
92,covalent,SING,O46,C26,no,N,92,,25333,bmse001327,BMET001327
93,covalent,SING,O47,C21,no,N,93,,25333,bmse001327,BMET001327
94,covalent,SING,O47,C25,no,N,94,,25333,bmse001327,BMET001327
95,covalent,SING,O48,C22,no,N,95,,25333,bmse001327,BMET001327
96,covalent,SING,O48,C24,no,N,96,,25333,bmse001327,BMET001327
1,covalent,SING,C1,H59,no,N,1,,25366,bmse001328,BMET001328
2,covalent,SING,C1,H60,no,N,2,,25366,bmse001328,BMET001328
3,covalent,SING,C1,H61,no,N,3,,25366,bmse001328,BMET001328
4,covalent,SING,C2,H62,no,N,4,,25366,bmse001328,BMET001328
5,covalent,SING,C2,H63,no,N,5,,25366,bmse001328,BMET001328
6,covalent,SING,C2,H64,no,N,6,,25366,bmse001328,BMET001328
7,covalent,SING,C3,H65,no,N,7,,25366,bmse001328,BMET001328
8,covalent,SING,C3,H66,no,N,8,,25366,bmse001328,BMET001328
9,covalent,SING,C4,H67,no,N,9,,25366,bmse001328,BMET001328
10,covalent,SING,C4,H68,no,N,10,,25366,bmse001328,BMET001328
11,covalent,SING,C5,H69,no,N,11,,25366,bmse001328,BMET001328
12,covalent,SING,C5,H70,no,N,12,,25366,bmse001328,BMET001328
13,covalent,SING,C6,H71,no,N,13,,25366,bmse001328,BMET001328
14,covalent,SING,C6,H72,no,N,14,,25366,bmse001328,BMET001328
15,covalent,SING,C7,C1,no,N,15,,25366,bmse001328,BMET001328
16,covalent,SING,C7,H73,no,N,16,,25366,bmse001328,BMET001328
17,covalent,SING,C8,C2,no,N,17,,25366,bmse001328,BMET001328
18,covalent,SING,C9,C3,no,N,18,,25366,bmse001328,BMET001328
19,covalent,SING,C9,H74,no,N,19,,25366,bmse001328,BMET001328
20,covalent,SING,C10,C4,no,N,20,,25366,bmse001328,BMET001328
21,covalent,SING,C10,C16,no,N,21,,25366,bmse001328,BMET001328
22,covalent,SING,C10,H75,no,N,22,,25366,bmse001328,BMET001328
23,covalent,SING,C11,C5,no,N,23,,25366,bmse001328,BMET001328
24,covalent,SING,C11,C17,no,N,24,,25366,bmse001328,BMET001328
25,covalent,SING,C11,H76,no,N,25,,25366,bmse001328,BMET001328
26,covalent,SING,C12,C6,no,N,26,,25366,bmse001328,BMET001328
27,covalent,SING,C12,C24,no,N,27,,25366,bmse001328,BMET001328
28,covalent,SING,C12,H77,no,N,28,,25366,bmse001328,BMET001328
29,covalent,SING,C13,C29,no,N,29,,25366,bmse001328,BMET001328
30,covalent,SING,C13,N33,no,N,30,,25366,bmse001328,BMET001328
31,covalent,SING,C13,H78,no,N,31,,25366,bmse001328,BMET001328
32,covalent,SING,C14,C7,no,N,32,,25366,bmse001328,BMET001328
33,covalent,SING,C14,O39,no,N,33,,25366,bmse001328,BMET001328
34,covalent,SING,C14,H79,no,N,34,,25366,bmse001328,BMET001328
35,covalent,SING,C15,C9,no,N,35,,25366,bmse001328,BMET001328
36,covalent,SING,C15,O40,no,N,36,,25366,bmse001328,BMET001328
37,covalent,SING,C15,H80,no,N,37,,25366,bmse001328,BMET001328
38,covalent,SING,C16,C25,no,N,38,,25366,bmse001328,BMET001328
39,covalent,SING,C16,O41,no,N,39,,25366,bmse001328,BMET001328
40,covalent,SING,C16,H81,no,N,40,,25366,bmse001328,BMET001328
41,covalent,SING,C17,C26,no,N,41,,25366,bmse001328,BMET001328
42,covalent,SING,C17,O42,no,N,42,,25366,bmse001328,BMET001328
43,covalent,SING,C17,H82,no,N,43,,25366,bmse001328,BMET001328
44,covalent,SING,C18,C14,no,N,44,,25366,bmse001328,BMET001328
45,covalent,SING,C18,O43,no,N,45,,25366,bmse001328,BMET001328
46,covalent,SING,C18,H83,no,N,46,,25366,bmse001328,BMET001328
47,covalent,SING,C19,C15,no,N,47,,25366,bmse001328,BMET001328
48,covalent,SING,C19,O44,no,N,48,,25366,bmse001328,BMET001328
49,covalent,SING,C19,H84,no,N,49,,25366,bmse001328,BMET001328
50,covalent,SING,C20,C21,no,N,50,,25366,bmse001328,BMET001328
51,covalent,SING,C20,O45,no,N,51,,25366,bmse001328,BMET001328
52,covalent,SING,C20,H85,no,N,52,,25366,bmse001328,BMET001328
53,covalent,SING,C21,C28,no,N,53,,25366,bmse001328,BMET001328
54,covalent,SING,C21,O46,no,N,54,,25366,bmse001328,BMET001328
55,covalent,SING,C21,H86,no,N,55,,25366,bmse001328,BMET001328
56,covalent,SING,C22,C18,no,N,56,,25366,bmse001328,BMET001328
57,covalent,SING,C22,O47,no,N,57,,25366,bmse001328,BMET001328
58,covalent,SING,C22,H87,no,N,58,,25366,bmse001328,BMET001328
59,covalent,SING,C23,C31,no,N,59,,25366,bmse001328,BMET001328
60,covalent,SING,C23,O48,no,N,60,,25366,bmse001328,BMET001328
61,covalent,SING,C23,H88,no,N,61,,25366,bmse001328,BMET001328
62,covalent,SING,C24,C20,no,N,62,,25366,bmse001328,BMET001328
63,covalent,SING,C24,O55,no,N,63,,25366,bmse001328,BMET001328
64,covalent,SING,C24,H89,no,N,64,,25366,bmse001328,BMET001328
65,covalent,SING,C25,C13,no,N,65,,25366,bmse001328,BMET001328
66,covalent,SING,C25,O56,no,N,66,,25366,bmse001328,BMET001328
67,covalent,SING,C25,H90,no,N,67,,25366,bmse001328,BMET001328
68,covalent,SING,C26,C23,no,N,68,,25366,bmse001328,BMET001328
69,covalent,SING,C26,O57,no,N,69,,25366,bmse001328,BMET001328
70,covalent,SING,C26,H91,no,N,70,,25366,bmse001328,BMET001328
71,covalent,SING,C27,C19,no,N,71,,25366,bmse001328,BMET001328
72,covalent,SING,C27,O58,no,N,72,,25366,bmse001328,BMET001328
73,covalent,SING,C27,H92,no,N,73,,25366,bmse001328,BMET001328
74,covalent,SING,C28,H93,no,N,74,,25366,bmse001328,BMET001328
75,covalent,SING,C29,O57,no,N,75,,25366,bmse001328,BMET001328
76,covalent,SING,C29,H94,no,N,76,,25366,bmse001328,BMET001328
77,covalent,SING,C30,C22,no,N,77,,25366,bmse001328,BMET001328
78,covalent,SING,C30,O58,no,N,78,,25366,bmse001328,BMET001328
79,covalent,SING,C30,H95,no,N,79,,25366,bmse001328,BMET001328
80,covalent,SING,C31,O55,no,N,80,,25366,bmse001328,BMET001328
81,covalent,SING,C31,H96,no,N,81,,25366,bmse001328,BMET001328
82,covalent,SING,C32,C27,no,N,82,,25366,bmse001328,BMET001328
83,covalent,SING,C32,O56,no,N,83,,25366,bmse001328,BMET001328
84,covalent,SING,C32,H97,no,N,84,,25366,bmse001328,BMET001328
85,amide,SING,N33,C8,no,N,85,,25366,bmse001328,BMET001328
86,covalent,SING,N33,H98,no,N,86,,25366,bmse001328,BMET001328
87,covalent,SING,O34,C3,no,N,87,,25366,bmse001328,BMET001328
88,covalent,SING,O34,H99,no,N,88,,25366,bmse001328,BMET001328
89,covalent,SING,O35,C4,no,N,89,,25366,bmse001328,BMET001328
90,covalent,SING,O35,H100,no,N,90,,25366,bmse001328,BMET001328
91,covalent,SING,O36,C5,no,N,91,,25366,bmse001328,BMET001328
92,covalent,SING,O36,H101,no,N,92,,25366,bmse001328,BMET001328
93,covalent,SING,O37,C6,no,N,93,,25366,bmse001328,BMET001328
94,covalent,SING,O37,H102,no,N,94,,25366,bmse001328,BMET001328
95,carbonyl,DOUB,O38,C8,no,N,95,,25366,bmse001328,BMET001328
96,covalent,SING,O39,H103,no,N,96,,25366,bmse001328,BMET001328
97,covalent,SING,O40,H104,no,N,97,,25366,bmse001328,BMET001328
98,covalent,SING,O41,H105,no,N,98,,25366,bmse001328,BMET001328
99,covalent,SING,O42,H106,no,N,99,,25366,bmse001328,BMET001328
100,covalent,SING,O43,H107,no,N,100,,25366,bmse001328,BMET001328
101,covalent,SING,O44,H108,no,N,101,,25366,bmse001328,BMET001328
102,covalent,SING,O45,H109,no,N,102,,25366,bmse001328,BMET001328
103,covalent,SING,O46,H110,no,N,103,,25366,bmse001328,BMET001328
104,covalent,SING,O47,H111,no,N,104,,25366,bmse001328,BMET001328
105,covalent,SING,O48,H112,no,N,105,,25366,bmse001328,BMET001328
106,covalent,SING,O49,C28,no,N,106,,25366,bmse001328,BMET001328
107,covalent,SING,O49,H113,no,N,107,,25366,bmse001328,BMET001328
108,covalent,SING,O50,C7,no,N,108,,25366,bmse001328,BMET001328
109,covalent,SING,O50,C30,no,N,109,,25366,bmse001328,BMET001328
110,covalent,SING,O51,C12,no,N,110,,25366,bmse001328,BMET001328
111,covalent,SING,O51,C28,no,N,111,,25366,bmse001328,BMET001328
112,covalent,SING,O52,C10,no,N,112,,25366,bmse001328,BMET001328
113,covalent,SING,O52,C29,no,N,113,,25366,bmse001328,BMET001328
114,covalent,SING,O53,C11,no,N,114,,25366,bmse001328,BMET001328
115,covalent,SING,O53,C31,no,N,115,,25366,bmse001328,BMET001328
116,covalent,SING,O54,C9,no,N,116,,25366,bmse001328,BMET001328
117,covalent,SING,O54,C32,no,N,117,,25366,bmse001328,BMET001328
1,covalent,SING,C1,H44,no,N,1,,25399,bmse001329,BMET001329
2,covalent,SING,C1,H45,no,N,2,,25399,bmse001329,BMET001329
3,covalent,SING,C1,H46,no,N,3,,25399,bmse001329,BMET001329
4,covalent,SING,C2,H47,no,N,4,,25399,bmse001329,BMET001329
5,covalent,SING,C2,H48,no,N,5,,25399,bmse001329,BMET001329
6,covalent,SING,C3,H49,no,N,6,,25399,bmse001329,BMET001329
7,covalent,SING,C4,H50,no,N,7,,25399,bmse001329,BMET001329
8,covalent,SING,C4,H51,no,N,8,,25399,bmse001329,BMET001329
9,covalent,SING,C5,H52,no,N,9,,25399,bmse001329,BMET001329
10,covalent,SING,C5,H53,no,N,10,,25399,bmse001329,BMET001329
11,covalent,SING,C6,H54,no,N,11,,25399,bmse001329,BMET001329
12,covalent,SING,C6,H55,no,N,12,,25399,bmse001329,BMET001329
13,covalent,SING,C7,C1,no,N,13,,25399,bmse001329,BMET001329
14,covalent,SING,C8,C2,no,N,14,,25399,bmse001329,BMET001329
15,covalent,SING,C8,C13,no,N,15,,25399,bmse001329,BMET001329
16,covalent,SING,C8,O30,no,N,16,,25399,bmse001329,BMET001329
17,covalent,SING,C8,H56,no,N,17,,25399,bmse001329,BMET001329
18,covalent,SING,C9,C3,no,N,18,,25399,bmse001329,BMET001329
19,covalent,SING,C9,O31,no,N,19,,25399,bmse001329,BMET001329
20,covalent,SING,C9,H57,no,N,20,,25399,bmse001329,BMET001329
21,covalent,SING,C10,C4,no,N,21,,25399,bmse001329,BMET001329
22,covalent,SING,C10,O32,no,N,22,,25399,bmse001329,BMET001329
23,covalent,SING,C10,H58,no,N,23,,25399,bmse001329,BMET001329
24,covalent,SING,C11,C5,no,N,24,,25399,bmse001329,BMET001329
25,covalent,SING,C11,C18,no,N,25,,25399,bmse001329,BMET001329
26,covalent,SING,C11,O33,no,N,26,,25399,bmse001329,BMET001329
27,covalent,SING,C11,H59,no,N,27,,25399,bmse001329,BMET001329
28,covalent,SING,C12,C6,no,N,28,,25399,bmse001329,BMET001329
29,covalent,SING,C12,H60,no,N,29,,25399,bmse001329,BMET001329
30,covalent,SING,C13,C19,no,N,30,,25399,bmse001329,BMET001329
31,covalent,SING,C13,N24,no,N,31,,25399,bmse001329,BMET001329
32,covalent,SING,C13,H61,no,N,32,,25399,bmse001329,BMET001329
33,covalent,SING,C14,C9,no,N,33,,25399,bmse001329,BMET001329
34,covalent,SING,C14,C18,no,N,34,,25399,bmse001329,BMET001329
35,covalent,SING,C14,O34,no,N,35,,25399,bmse001329,BMET001329
36,covalent,SING,C14,H62,no,N,36,,25399,bmse001329,BMET001329
37,covalent,SING,C15,C10,no,N,37,,25399,bmse001329,BMET001329
38,covalent,SING,C15,O35,no,N,38,,25399,bmse001329,BMET001329
39,covalent,SING,C15,H63,no,N,39,,25399,bmse001329,BMET001329
40,covalent,SING,C16,C12,no,N,40,,25399,bmse001329,BMET001329
41,covalent,SING,C16,O36,no,N,41,,25399,bmse001329,BMET001329
42,covalent,SING,C16,H64,no,N,42,,25399,bmse001329,BMET001329
43,covalent,SING,C17,C20,no,N,43,,25399,bmse001329,BMET001329
44,covalent,SING,C17,O37,no,N,44,,25399,bmse001329,BMET001329
45,covalent,SING,C17,H65,no,N,45,,25399,bmse001329,BMET001329
46,covalent,SING,C18,O41,no,N,46,,25399,bmse001329,BMET001329
47,covalent,SING,C18,H66,no,N,47,,25399,bmse001329,BMET001329
48,covalent,SING,C19,C15,no,N,48,,25399,bmse001329,BMET001329
49,covalent,SING,C19,H67,no,N,49,,25399,bmse001329,BMET001329
50,covalent,SING,C20,C16,no,N,50,,25399,bmse001329,BMET001329
51,covalent,SING,C20,O43,no,N,51,,25399,bmse001329,BMET001329
52,covalent,SING,C20,H68,no,N,52,,25399,bmse001329,BMET001329
53,covalent,SING,C21,C17,no,N,53,,25399,bmse001329,BMET001329
54,covalent,SING,C21,O41,no,N,54,,25399,bmse001329,BMET001329
55,covalent,SING,C21,H69,no,N,55,,25399,bmse001329,BMET001329
56,covalent,SING,C23,C2,no,N,56,,25399,bmse001329,BMET001329
57,covalent,SING,C23,C22,no,N,57,,25399,bmse001329,BMET001329
58,covalent,SING,C23,O43,no,N,58,,25399,bmse001329,BMET001329
59,amide,SING,N24,C7,no,N,59,,25399,bmse001329,BMET001329
60,covalent,SING,N24,H70,no,N,60,,25399,bmse001329,BMET001329
61,carbonyl,DOUB,O25,C3,no,N,61,,25399,bmse001329,BMET001329
62,covalent,SING,O26,C4,no,N,62,,25399,bmse001329,BMET001329
63,covalent,SING,O26,H71,no,N,63,,25399,bmse001329,BMET001329
64,covalent,SING,O27,C5,no,N,64,,25399,bmse001329,BMET001329
65,covalent,SING,O27,H72,no,N,65,,25399,bmse001329,BMET001329
66,covalent,SING,O28,C6,no,N,66,,25399,bmse001329,BMET001329
67,covalent,SING,O28,H73,no,N,67,,25399,bmse001329,BMET001329
68,carbonyl,DOUB,O29,C7,no,N,68,,25399,bmse001329,BMET001329
69,covalent,SING,O30,H74,no,N,69,,25399,bmse001329,BMET001329
70,covalent,SING,O31,H75,no,N,70,,25399,bmse001329,BMET001329
71,covalent,SING,O32,H76,no,N,71,,25399,bmse001329,BMET001329
72,covalent,SING,O33,H77,no,N,72,,25399,bmse001329,BMET001329
73,covalent,SING,O34,H78,no,N,73,,25399,bmse001329,BMET001329
74,covalent,SING,O35,H79,no,N,74,,25399,bmse001329,BMET001329
75,covalent,SING,O36,H80,no,N,75,,25399,bmse001329,BMET001329
76,covalent,SING,O37,H81,no,N,76,,25399,bmse001329,BMET001329
77,ester,SING,O38,C22,no,N,77,,25399,bmse001329,BMET001329
78,carbonyl,DOUB,O39,C22,no,N,78,,25399,bmse001329,BMET001329
79,covalent,SING,O40,C12,no,N,79,,25399,bmse001329,BMET001329
80,covalent,SING,O40,C21,no,N,80,,25399,bmse001329,BMET001329
81,covalent,SING,O42,C19,no,N,81,,25399,bmse001329,BMET001329
82,covalent,SING,O42,C23,no,N,82,,25399,bmse001329,BMET001329
1,covalent,SING,C1,H34,no,N,1,,25432,bmse001330,BMET001330
2,covalent,SING,C1,H35,no,N,2,,25432,bmse001330,BMET001330
3,covalent,SING,C1,H36,no,N,3,,25432,bmse001330,BMET001330
4,covalent,SING,C2,H37,no,N,4,,25432,bmse001330,BMET001330
5,covalent,SING,C2,H38,no,N,5,,25432,bmse001330,BMET001330
6,covalent,SING,C3,H39,no,N,6,,25432,bmse001330,BMET001330
7,covalent,SING,C3,H40,no,N,7,,25432,bmse001330,BMET001330
8,covalent,SING,C4,C1,no,N,8,,25432,bmse001330,BMET001330
9,covalent,SING,C4,H41,no,N,9,,25432,bmse001330,BMET001330
10,covalent,SING,C5,C2,no,N,10,,25432,bmse001330,BMET001330
11,covalent,SING,C5,H42,no,N,11,,25432,bmse001330,BMET001330
12,covalent,SING,C6,C3,no,N,12,,25432,bmse001330,BMET001330
13,covalent,SING,C6,H43,no,N,13,,25432,bmse001330,BMET001330
14,covalent,SING,C7,C4,no,N,14,,25432,bmse001330,BMET001330
15,covalent,SING,C7,H44,no,N,15,,25432,bmse001330,BMET001330
16,covalent,SING,C8,C5,no,N,16,,25432,bmse001330,BMET001330
17,covalent,SING,C8,H45,no,N,17,,25432,bmse001330,BMET001330
18,covalent,SING,C9,C7,no,N,18,,25432,bmse001330,BMET001330
19,covalent,SING,C9,H46,no,N,19,,25432,bmse001330,BMET001330
20,covalent,SING,C10,C11,no,N,20,,25432,bmse001330,BMET001330
21,covalent,SING,C10,H47,no,N,21,,25432,bmse001330,BMET001330
22,covalent,SING,C11,C16,no,N,22,,25432,bmse001330,BMET001330
23,covalent,SING,C11,H48,no,N,23,,25432,bmse001330,BMET001330
24,covalent,SING,C12,C9,no,N,24,,25432,bmse001330,BMET001330
25,covalent,SING,C12,H49,no,N,25,,25432,bmse001330,BMET001330
26,covalent,SING,C13,C18,no,N,26,,25432,bmse001330,BMET001330
27,covalent,SING,C13,H50,no,N,27,,25432,bmse001330,BMET001330
28,covalent,SING,C14,C6,no,N,28,,25432,bmse001330,BMET001330
29,covalent,SING,C14,C10,no,N,29,,25432,bmse001330,BMET001330
30,covalent,SING,C14,H51,no,N,30,,25432,bmse001330,BMET001330
31,covalent,SING,C15,C8,no,N,31,,25432,bmse001330,BMET001330
32,covalent,SING,C15,C13,no,N,32,,25432,bmse001330,BMET001330
33,covalent,SING,C15,H52,no,N,33,,25432,bmse001330,BMET001330
34,covalent,SING,C16,H53,no,N,34,,25432,bmse001330,BMET001330
35,covalent,SING,C17,C12,no,N,35,,25432,bmse001330,BMET001330
36,covalent,SING,C17,H54,no,N,36,,25432,bmse001330,BMET001330
37,covalent,SING,C18,H55,no,N,37,,25432,bmse001330,BMET001330
38,covalent,SING,O19,C2,no,N,38,,25432,bmse001330,BMET001330
39,covalent,SING,O19,H56,no,N,39,,25432,bmse001330,BMET001330
40,covalent,SING,O20,C3,no,N,40,,25432,bmse001330,BMET001330
41,covalent,SING,O20,H57,no,N,41,,25432,bmse001330,BMET001330
42,covalent,SING,O21,C7,no,N,42,,25432,bmse001330,BMET001330
43,covalent,SING,O21,H58,no,N,43,,25432,bmse001330,BMET001330
44,covalent,SING,O22,C8,no,N,44,,25432,bmse001330,BMET001330
45,covalent,SING,O22,H59,no,N,45,,25432,bmse001330,BMET001330
46,covalent,SING,O23,C9,no,N,46,,25432,bmse001330,BMET001330
47,covalent,SING,O23,H60,no,N,47,,25432,bmse001330,BMET001330
48,covalent,SING,O24,C10,no,N,48,,25432,bmse001330,BMET001330
49,covalent,SING,O24,H61,no,N,49,,25432,bmse001330,BMET001330
50,covalent,SING,O25,C11,no,N,50,,25432,bmse001330,BMET001330
51,covalent,SING,O25,H62,no,N,51,,25432,bmse001330,BMET001330
52,covalent,SING,O26,C12,no,N,52,,25432,bmse001330,BMET001330
53,covalent,SING,O26,H63,no,N,53,,25432,bmse001330,BMET001330
54,covalent,SING,O27,C13,no,N,54,,25432,bmse001330,BMET001330
55,covalent,SING,O27,H64,no,N,55,,25432,bmse001330,BMET001330
56,covalent,SING,O28,C16,no,N,56,,25432,bmse001330,BMET001330
57,covalent,SING,O28,H65,no,N,57,,25432,bmse001330,BMET001330
58,covalent,SING,O29,C4,no,N,58,,25432,bmse001330,BMET001330
59,covalent,SING,O29,C17,no,N,59,,25432,bmse001330,BMET001330
60,covalent,SING,O30,C6,no,N,60,,25432,bmse001330,BMET001330
61,covalent,SING,O30,C16,no,N,61,,25432,bmse001330,BMET001330
62,covalent,SING,O31,C5,no,N,62,,25432,bmse001330,BMET001330
63,covalent,SING,O31,C18,no,N,63,,25432,bmse001330,BMET001330
64,covalent,SING,O32,C14,no,N,64,,25432,bmse001330,BMET001330
65,covalent,SING,O32,C18,no,N,65,,25432,bmse001330,BMET001330
66,covalent,SING,O33,C15,no,N,66,,25432,bmse001330,BMET001330
67,covalent,SING,O33,C17,no,N,67,,25432,bmse001330,BMET001330
1,covalent,SING,C1,H44,no,N,1,,25465,bmse001331,BMET001331
2,covalent,SING,C1,H45,no,N,2,,25465,bmse001331,BMET001331
3,covalent,SING,C1,H46,no,N,3,,25465,bmse001331,BMET001331
4,covalent,SING,C2,H47,no,N,4,,25465,bmse001331,BMET001331
5,covalent,SING,C2,H48,no,N,5,,25465,bmse001331,BMET001331
6,covalent,SING,C3,H49,no,N,6,,25465,bmse001331,BMET001331
7,covalent,SING,C3,H50,no,N,7,,25465,bmse001331,BMET001331
8,covalent,SING,C4,H51,no,N,8,,25465,bmse001331,BMET001331
9,covalent,SING,C4,H52,no,N,9,,25465,bmse001331,BMET001331
10,covalent,SING,C5,H53,no,N,10,,25465,bmse001331,BMET001331
11,covalent,SING,C5,H54,no,N,11,,25465,bmse001331,BMET001331
12,covalent,SING,C6,C1,no,N,12,,25465,bmse001331,BMET001331
13,covalent,SING,C7,C2,no,N,13,,25465,bmse001331,BMET001331
14,covalent,SING,C7,H55,no,N,14,,25465,bmse001331,BMET001331
15,covalent,SING,C8,C3,no,N,15,,25465,bmse001331,BMET001331
16,covalent,SING,C8,H56,no,N,16,,25465,bmse001331,BMET001331
17,covalent,SING,C9,C4,no,N,17,,25465,bmse001331,BMET001331
18,covalent,SING,C9,H57,no,N,18,,25465,bmse001331,BMET001331
19,covalent,SING,C10,C5,no,N,19,,25465,bmse001331,BMET001331
20,covalent,SING,C10,C13,no,N,20,,25465,bmse001331,BMET001331
21,covalent,SING,C10,H58,no,N,21,,25465,bmse001331,BMET001331
22,covalent,SING,C11,C7,no,N,22,,25465,bmse001331,BMET001331
23,covalent,SING,C11,C19,no,N,23,,25465,bmse001331,BMET001331
24,covalent,SING,C11,H59,no,N,24,,25465,bmse001331,BMET001331
25,covalent,SING,C12,C8,no,N,25,,25465,bmse001331,BMET001331
26,covalent,SING,C12,H60,no,N,26,,25465,bmse001331,BMET001331
27,covalent,SING,C13,C14,no,N,27,,25465,bmse001331,BMET001331
28,covalent,SING,C13,H61,no,N,28,,25465,bmse001331,BMET001331
29,covalent,SING,C14,C17,no,N,29,,25465,bmse001331,BMET001331
30,covalent,SING,C14,H62,no,N,30,,25465,bmse001331,BMET001331
31,covalent,SING,C15,C16,no,N,31,,25465,bmse001331,BMET001331
32,covalent,SING,C15,H63,no,N,32,,25465,bmse001331,BMET001331
33,covalent,SING,C16,C20,no,N,33,,25465,bmse001331,BMET001331
34,covalent,SING,C16,H64,no,N,34,,25465,bmse001331,BMET001331
35,covalent,SING,C17,H65,no,N,35,,25465,bmse001331,BMET001331
36,covalent,SING,C18,C9,no,N,36,,25465,bmse001331,BMET001331
37,covalent,SING,C18,C15,no,N,37,,25465,bmse001331,BMET001331
38,covalent,SING,C18,H66,no,N,38,,25465,bmse001331,BMET001331
39,covalent,SING,C19,C12,no,N,39,,25465,bmse001331,BMET001331
40,covalent,SING,C19,H67,no,N,40,,25465,bmse001331,BMET001331
41,covalent,SING,C20,H68,no,N,41,,25465,bmse001331,BMET001331
42,covalent,SING,C21,C17,no,N,42,,25465,bmse001331,BMET001331
43,covalent,SING,C21,H69,no,N,43,,25465,bmse001331,BMET001331
44,covalent,SING,C23,C2,no,N,44,,25465,bmse001331,BMET001331
45,covalent,SING,C23,C22,no,N,45,,25465,bmse001331,BMET001331
46,amide,SING,N24,C6,no,N,46,,25465,bmse001331,BMET001331
47,covalent,SING,N24,C11,no,N,47,,25465,bmse001331,BMET001331
48,covalent,SING,N24,H70,no,N,48,,25465,bmse001331,BMET001331
49,covalent,SING,O25,C3,no,N,49,,25465,bmse001331,BMET001331
50,covalent,SING,O25,H71,no,N,50,,25465,bmse001331,BMET001331
51,covalent,SING,O26,C4,no,N,51,,25465,bmse001331,BMET001331
52,covalent,SING,O26,H72,no,N,52,,25465,bmse001331,BMET001331
53,carbonyl,DOUB,O27,C6,no,N,53,,25465,bmse001331,BMET001331
54,covalent,SING,O28,C7,no,N,54,,25465,bmse001331,BMET001331
55,covalent,SING,O28,H73,no,N,55,,25465,bmse001331,BMET001331
56,covalent,SING,O29,C8,no,N,56,,25465,bmse001331,BMET001331
57,covalent,SING,O29,H74,no,N,57,,25465,bmse001331,BMET001331
58,covalent,SING,O30,C12,no,N,58,,25465,bmse001331,BMET001331
59,covalent,SING,O30,H75,no,N,59,,25465,bmse001331,BMET001331
60,covalent,SING,O31,C13,no,N,60,,25465,bmse001331,BMET001331
61,covalent,SING,O31,H76,no,N,61,,25465,bmse001331,BMET001331
62,covalent,SING,O32,C14,no,N,62,,25465,bmse001331,BMET001331
63,covalent,SING,O32,H77,no,N,63,,25465,bmse001331,BMET001331
64,covalent,SING,O33,C15,no,N,64,,25465,bmse001331,BMET001331
65,covalent,SING,O33,H78,no,N,65,,25465,bmse001331,BMET001331
66,covalent,SING,O34,C16,no,N,66,,25465,bmse001331,BMET001331
67,covalent,SING,O34,H79,no,N,67,,25465,bmse001331,BMET001331
68,covalent,SING,O35,C17,no,N,68,,25465,bmse001331,BMET001331
69,covalent,SING,O35,H80,no,N,69,,25465,bmse001331,BMET001331
70,covalent,SING,O36,C20,no,N,70,,25465,bmse001331,BMET001331
71,covalent,SING,O36,H81,no,N,71,,25465,bmse001331,BMET001331
72,ester,SING,O37,C22,no,N,72,,25465,bmse001331,BMET001331
73,covalent,SING,O37,H82,no,N,73,,25465,bmse001331,BMET001331
74,carbonyl,DOUB,O38,C22,no,N,74,,25465,bmse001331,BMET001331
75,covalent,SING,O39,C5,no,N,75,,25465,bmse001331,BMET001331
76,covalent,SING,O39,C23,no,N,76,,25465,bmse001331,BMET001331
77,covalent,SING,O40,C9,no,N,77,,25465,bmse001331,BMET001331
78,covalent,SING,O40,C20,no,N,78,,25465,bmse001331,BMET001331
79,covalent,SING,O41,C10,no,N,79,,25465,bmse001331,BMET001331
80,covalent,SING,O41,C21,no,N,80,,25465,bmse001331,BMET001331
81,covalent,SING,O42,C18,no,N,81,,25465,bmse001331,BMET001331
82,covalent,SING,O42,C21,no,N,82,,25465,bmse001331,BMET001331
83,covalent,SING,O43,C19,no,N,83,,25465,bmse001331,BMET001331
84,covalent,SING,O43,C23,no,N,84,,25465,bmse001331,BMET001331
1,covalent,SING,C1,H49,no,N,1,,25498,bmse001332,BMET001332
2,covalent,SING,C1,H50,no,N,2,,25498,bmse001332,BMET001332
3,covalent,SING,C1,H51,no,N,3,,25498,bmse001332,BMET001332
4,covalent,SING,C2,H52,no,N,4,,25498,bmse001332,BMET001332
5,covalent,SING,C2,H53,no,N,5,,25498,bmse001332,BMET001332
6,covalent,SING,C3,H54,no,N,6,,25498,bmse001332,BMET001332
7,covalent,SING,C3,H55,no,N,7,,25498,bmse001332,BMET001332
8,covalent,SING,C4,H56,no,N,8,,25498,bmse001332,BMET001332
9,covalent,SING,C4,H57,no,N,9,,25498,bmse001332,BMET001332
10,covalent,SING,C5,H58,no,N,10,,25498,bmse001332,BMET001332
11,covalent,SING,C5,H59,no,N,11,,25498,bmse001332,BMET001332
12,covalent,SING,C6,C1,no,N,12,,25498,bmse001332,BMET001332
13,covalent,SING,C7,C2,no,N,13,,25498,bmse001332,BMET001332
14,covalent,SING,C7,H60,no,N,14,,25498,bmse001332,BMET001332
15,covalent,SING,C8,C3,no,N,15,,25498,bmse001332,BMET001332
16,covalent,SING,C8,H61,no,N,16,,25498,bmse001332,BMET001332
17,covalent,SING,C9,C4,no,N,17,,25498,bmse001332,BMET001332
18,covalent,SING,C9,H62,no,N,18,,25498,bmse001332,BMET001332
19,covalent,SING,C10,C5,no,N,19,,25498,bmse001332,BMET001332
20,covalent,SING,C10,H63,no,N,20,,25498,bmse001332,BMET001332
21,covalent,SING,C11,C14,no,N,21,,25498,bmse001332,BMET001332
22,covalent,SING,C11,C24,no,N,22,,25498,bmse001332,BMET001332
23,covalent,SING,C11,H64,no,N,23,,25498,bmse001332,BMET001332
24,covalent,SING,C12,C7,no,N,24,,25498,bmse001332,BMET001332
25,covalent,SING,C12,H65,no,N,25,,25498,bmse001332,BMET001332
26,covalent,SING,C13,C8,no,N,26,,25498,bmse001332,BMET001332
27,covalent,SING,C13,H66,no,N,27,,25498,bmse001332,BMET001332
28,covalent,SING,C14,H67,no,N,28,,25498,bmse001332,BMET001332
29,covalent,SING,C15,C12,no,N,29,,25498,bmse001332,BMET001332
30,covalent,SING,C15,H68,no,N,30,,25498,bmse001332,BMET001332
31,covalent,SING,C16,C17,no,N,31,,25498,bmse001332,BMET001332
32,covalent,SING,C16,H69,no,N,32,,25498,bmse001332,BMET001332
33,covalent,SING,C17,C23,no,N,33,,25498,bmse001332,BMET001332
34,covalent,SING,C17,H70,no,N,34,,25498,bmse001332,BMET001332
35,covalent,SING,C18,C15,no,N,35,,25498,bmse001332,BMET001332
36,covalent,SING,C18,H71,no,N,36,,25498,bmse001332,BMET001332
37,covalent,SING,C19,C26,no,N,37,,25498,bmse001332,BMET001332
38,covalent,SING,C19,H72,no,N,38,,25498,bmse001332,BMET001332
39,covalent,SING,C20,C10,no,N,39,,25498,bmse001332,BMET001332
40,covalent,SING,C20,C14,no,N,40,,25498,bmse001332,BMET001332
41,covalent,SING,C20,H73,no,N,41,,25498,bmse001332,BMET001332
42,covalent,SING,C21,C9,no,N,42,,25498,bmse001332,BMET001332
43,covalent,SING,C21,C16,no,N,43,,25498,bmse001332,BMET001332
44,covalent,SING,C21,H74,no,N,44,,25498,bmse001332,BMET001332
45,covalent,SING,C22,C13,no,N,45,,25498,bmse001332,BMET001332
46,covalent,SING,C22,C19,no,N,46,,25498,bmse001332,BMET001332
47,covalent,SING,C22,H75,no,N,47,,25498,bmse001332,BMET001332
48,covalent,SING,C23,H76,no,N,48,,25498,bmse001332,BMET001332
49,covalent,SING,C24,H77,no,N,49,,25498,bmse001332,BMET001332
50,covalent,SING,C25,C18,no,N,50,,25498,bmse001332,BMET001332
51,covalent,SING,C25,H78,no,N,51,,25498,bmse001332,BMET001332
52,covalent,SING,C26,H79,no,N,52,,25498,bmse001332,BMET001332
53,amide,SING,N27,C6,no,N,53,,25498,bmse001332,BMET001332
54,covalent,SING,N27,C11,no,N,54,,25498,bmse001332,BMET001332
55,covalent,SING,N27,H80,no,N,55,,25498,bmse001332,BMET001332
56,covalent,SING,O28,C2,no,N,56,,25498,bmse001332,BMET001332
57,covalent,SING,O28,H81,no,N,57,,25498,bmse001332,BMET001332
58,covalent,SING,O29,C3,no,N,58,,25498,bmse001332,BMET001332
59,covalent,SING,O29,H82,no,N,59,,25498,bmse001332,BMET001332
60,covalent,SING,O30,C4,no,N,60,,25498,bmse001332,BMET001332
61,covalent,SING,O30,H83,no,N,61,,25498,bmse001332,BMET001332
62,covalent,SING,O31,C5,no,N,62,,25498,bmse001332,BMET001332
63,covalent,SING,O31,H84,no,N,63,,25498,bmse001332,BMET001332
64,carbonyl,DOUB,O32,C6,no,N,64,,25498,bmse001332,BMET001332
65,covalent,SING,O33,C12,no,N,65,,25498,bmse001332,BMET001332
66,covalent,SING,O33,H85,no,N,66,,25498,bmse001332,BMET001332
67,covalent,SING,O34,C13,no,N,67,,25498,bmse001332,BMET001332
68,covalent,SING,O34,H86,no,N,68,,25498,bmse001332,BMET001332
69,covalent,SING,O35,C14,no,N,69,,25498,bmse001332,BMET001332
70,covalent,SING,O35,H87,no,N,70,,25498,bmse001332,BMET001332
71,covalent,SING,O36,C15,no,N,71,,25498,bmse001332,BMET001332
72,covalent,SING,O36,H88,no,N,72,,25498,bmse001332,BMET001332
73,covalent,SING,O37,C16,no,N,73,,25498,bmse001332,BMET001332
74,covalent,SING,O37,H89,no,N,74,,25498,bmse001332,BMET001332
75,covalent,SING,O38,C17,no,N,75,,25498,bmse001332,BMET001332
76,covalent,SING,O38,H90,no,N,76,,25498,bmse001332,BMET001332
77,covalent,SING,O39,C18,no,N,77,,25498,bmse001332,BMET001332
78,covalent,SING,O39,H91,no,N,78,,25498,bmse001332,BMET001332
79,covalent,SING,O40,C19,no,N,79,,25498,bmse001332,BMET001332
80,covalent,SING,O40,H92,no,N,80,,25498,bmse001332,BMET001332
81,covalent,SING,O41,C23,no,N,81,,25498,bmse001332,BMET001332
82,covalent,SING,O41,H93,no,N,82,,25498,bmse001332,BMET001332
83,covalent,SING,O42,C9,no,N,83,,25498,bmse001332,BMET001332
84,covalent,SING,O42,C23,no,N,84,,25498,bmse001332,BMET001332
85,covalent,SING,O43,C7,no,N,85,,25498,bmse001332,BMET001332
86,covalent,SING,O43,C25,no,N,86,,25498,bmse001332,BMET001332
87,covalent,SING,O44,C8,no,N,87,,25498,bmse001332,BMET001332
88,covalent,SING,O44,C26,no,N,88,,25498,bmse001332,BMET001332
89,covalent,SING,O45,C10,no,N,89,,25498,bmse001332,BMET001332
90,covalent,SING,O45,C24,no,N,90,,25498,bmse001332,BMET001332
91,covalent,SING,O46,C20,no,N,91,,25498,bmse001332,BMET001332
92,covalent,SING,O46,C25,no,N,92,,25498,bmse001332,BMET001332
93,covalent,SING,O47,C21,no,N,93,,25498,bmse001332,BMET001332
94,covalent,SING,O47,C26,no,N,94,,25498,bmse001332,BMET001332
95,covalent,SING,O48,C22,no,N,95,,25498,bmse001332,BMET001332
96,covalent,SING,O48,C24,no,N,96,,25498,bmse001332,BMET001332
1,covalent,SING,C1,H23,no,N,1,,25531,bmse001333,BMET001333
2,covalent,SING,C1,H24,no,N,2,,25531,bmse001333,BMET001333
3,covalent,SING,C1,H25,no,N,3,,25531,bmse001333,BMET001333
4,covalent,SING,C2,H26,no,N,4,,25531,bmse001333,BMET001333
5,covalent,SING,C2,H27,no,N,5,,25531,bmse001333,BMET001333
6,covalent,SING,C2,H28,no,N,6,,25531,bmse001333,BMET001333
7,covalent,SING,C3,H29,no,N,7,,25531,bmse001333,BMET001333
8,covalent,SING,C3,H30,no,N,8,,25531,bmse001333,BMET001333
9,covalent,SING,C3,H31,no,N,9,,25531,bmse001333,BMET001333
10,covalent,SING,C4,C5,no,N,10,,25531,bmse001333,BMET001333
11,covalent,SING,C4,H32,no,N,11,,25531,bmse001333,BMET001333
12,covalent,SING,C4,H33,no,N,12,,25531,bmse001333,BMET001333
13,covalent,SING,C5,H34,no,N,13,,25531,bmse001333,BMET001333
14,covalent,SING,C5,H35,no,N,14,,25531,bmse001333,BMET001333
15,covalent,SING,C6,H36,no,N,15,,25531,bmse001333,BMET001333
16,covalent,AROM,C7,C6,yes,N,16,,25531,bmse001333,BMET001333
17,covalent,SING,C7,H37,no,N,17,,25531,bmse001333,BMET001333
18,covalent,SING,C8,C4,no,N,18,,25531,bmse001333,BMET001333
19,covalent,SING,C8,H38,no,N,19,,25531,bmse001333,BMET001333
20,covalent,SING,C8,H39,no,N,20,,25531,bmse001333,BMET001333
21,covalent,SING,C9,H40,no,N,21,,25531,bmse001333,BMET001333
22,covalent,SING,C10,C1,no,N,22,,25531,bmse001333,BMET001333
23,covalent,AROM,C10,C9,yes,N,23,,25531,bmse001333,BMET001333
24,covalent,SING,C11,C5,no,N,24,,25531,bmse001333,BMET001333
25,covalent,AROM,C11,C15,yes,N,25,,25531,bmse001333,BMET001333
26,covalent,AROM,C12,C6,yes,N,26,,25531,bmse001333,BMET001333
27,covalent,SING,C12,C18,no,N,27,,25531,bmse001333,BMET001333
28,covalent,AROM,C13,C7,yes,N,28,,25531,bmse001333,BMET001333
29,covalent,AROM,C13,C11,yes,N,29,,25531,bmse001333,BMET001333
30,covalent,AROM,C14,C10,yes,N,30,,25531,bmse001333,BMET001333
31,covalent,SING,C14,C16,no,N,31,,25531,bmse001333,BMET001333
32,covalent,AROM,C15,C12,yes,N,32,,25531,bmse001333,BMET001333
33,covalent,SING,C15,C17,no,N,33,,25531,bmse001333,BMET001333
34,covalent,SING,C17,C16,no,N,34,,25531,bmse001333,BMET001333
35,covalent,AROM,C18,C14,yes,N,35,,25531,bmse001333,BMET001333
36,covalent,SING,C19,C2,no,N,36,,25531,bmse001333,BMET001333
37,covalent,SING,C19,C3,no,N,37,,25531,bmse001333,BMET001333
38,covalent,SING,C19,C8,no,N,38,,25531,bmse001333,BMET001333
39,covalent,SING,C19,C13,no,N,39,,25531,bmse001333,BMET001333
40,carbonyl,DOUB,O20,C16,no,N,40,,25531,bmse001333,BMET001333
41,carbonyl,DOUB,O21,C17,no,N,41,,25531,bmse001333,BMET001333
42,covalent,AROM,O22,C9,yes,N,42,,25531,bmse001333,BMET001333
43,covalent,AROM,O22,C18,yes,N,43,,25531,bmse001333,BMET001333
1,covalent,SING,C1,H32,no,N,1,,25555,bmse001334,BMET001334
2,covalent,SING,C1,H33,no,N,2,,25555,bmse001334,BMET001334
3,covalent,SING,C1,H34,no,N,3,,25555,bmse001334,BMET001334
4,covalent,SING,C2,H35,no,N,4,,25555,bmse001334,BMET001334
5,covalent,SING,C2,H36,no,N,5,,25555,bmse001334,BMET001334
6,covalent,SING,C2,H37,no,N,6,,25555,bmse001334,BMET001334
7,covalent,SING,C3,H38,no,N,7,,25555,bmse001334,BMET001334
8,covalent,SING,C3,H39,no,N,8,,25555,bmse001334,BMET001334
9,covalent,SING,C3,H40,no,N,9,,25555,bmse001334,BMET001334
10,covalent,SING,C4,H41,no,N,10,,25555,bmse001334,BMET001334
11,covalent,SING,C4,H42,no,N,11,,25555,bmse001334,BMET001334
12,covalent,SING,C4,H43,no,N,12,,25555,bmse001334,BMET001334
13,covalent,SING,C5,H44,no,N,13,,25555,bmse001334,BMET001334
14,covalent,SING,C5,H45,no,N,14,,25555,bmse001334,BMET001334
15,covalent,SING,C5,H46,no,N,15,,25555,bmse001334,BMET001334
16,covalent,SING,C6,H47,no,N,16,,25555,bmse001334,BMET001334
17,covalent,SING,C6,H48,no,N,17,,25555,bmse001334,BMET001334
18,covalent,SING,C6,H49,no,N,18,,25555,bmse001334,BMET001334
19,covalent,SING,C7,H50,no,N,19,,25555,bmse001334,BMET001334
20,covalent,SING,C7,H51,no,N,20,,25555,bmse001334,BMET001334
21,covalent,SING,C7,H52,no,N,21,,25555,bmse001334,BMET001334
22,covalent,SING,C8,H53,no,N,22,,25555,bmse001334,BMET001334
23,covalent,SING,C8,H54,no,N,23,,25555,bmse001334,BMET001334
24,covalent,SING,C8,H55,no,N,24,,25555,bmse001334,BMET001334
25,covalent,SING,C9,C14,no,N,25,,25555,bmse001334,BMET001334
26,covalent,SING,C9,H56,no,N,26,,25555,bmse001334,BMET001334
27,covalent,SING,C9,H57,no,N,27,,25555,bmse001334,BMET001334
28,covalent,AROM,C10,C16,yes,N,28,,25555,bmse001334,BMET001334
29,covalent,SING,C10,H58,no,N,29,,25555,bmse001334,BMET001334
30,covalent,AROM,C11,C17,yes,N,30,,25555,bmse001334,BMET001334
31,covalent,SING,C11,H59,no,N,31,,25555,bmse001334,BMET001334
32,covalent,SING,C12,C15,no,N,32,,25555,bmse001334,BMET001334
33,covalent,SING,C12,H60,no,N,33,,25555,bmse001334,BMET001334
34,covalent,SING,C12,H61,no,N,34,,25555,bmse001334,BMET001334
35,covalent,SING,C13,C1,no,N,35,,25555,bmse001334,BMET001334
36,covalent,SING,C13,C9,no,N,36,,25555,bmse001334,BMET001334
37,covalent,SING,C13,H62,no,N,37,,25555,bmse001334,BMET001334
38,covalent,AROM,C14,C10,yes,N,38,,25555,bmse001334,BMET001334
39,covalent,AROM,C14,C18,yes,N,39,,25555,bmse001334,BMET001334
40,covalent,AROM,C15,C11,yes,N,40,,25555,bmse001334,BMET001334
41,covalent,AROM,C15,C19,yes,N,41,,25555,bmse001334,BMET001334
42,covalent,AROM,C16,C20,yes,N,42,,25555,bmse001334,BMET001334
43,covalent,AROM,C17,C21,yes,N,43,,25555,bmse001334,BMET001334
44,covalent,AROM,C18,C22,yes,N,44,,25555,bmse001334,BMET001334
45,covalent,SING,C19,C18,no,N,45,,25555,bmse001334,BMET001334
46,covalent,AROM,C19,C23,yes,N,46,,25555,bmse001334,BMET001334
47,covalent,AROM,C22,C20,yes,N,47,,25555,bmse001334,BMET001334
48,covalent,AROM,C23,C21,yes,N,48,,25555,bmse001334,BMET001334
49,covalent,SING,C24,C2,no,N,49,,25555,bmse001334,BMET001334
50,covalent,SING,C24,C12,no,N,50,,25555,bmse001334,BMET001334
51,covalent,SING,C24,C13,no,N,51,,25555,bmse001334,BMET001334
52,covalent,SING,O25,C24,no,N,52,,25555,bmse001334,BMET001334
53,covalent,SING,O25,H63,no,N,53,,25555,bmse001334,BMET001334
54,covalent,SING,O26,C3,no,N,54,,25555,bmse001334,BMET001334
55,covalent,SING,O26,C16,no,N,55,,25555,bmse001334,BMET001334
56,covalent,SING,O27,C4,no,N,56,,25555,bmse001334,BMET001334
57,covalent,SING,O27,C17,no,N,57,,25555,bmse001334,BMET001334
58,covalent,SING,O28,C5,no,N,58,,25555,bmse001334,BMET001334
59,covalent,SING,O28,C20,no,N,59,,25555,bmse001334,BMET001334
60,covalent,SING,O29,C6,no,N,60,,25555,bmse001334,BMET001334
61,covalent,SING,O29,C21,no,N,61,,25555,bmse001334,BMET001334
62,covalent,SING,O30,C7,no,N,62,,25555,bmse001334,BMET001334
63,covalent,SING,O30,C22,no,N,63,,25555,bmse001334,BMET001334
64,covalent,SING,O31,C8,no,N,64,,25555,bmse001334,BMET001334
65,covalent,SING,O31,C23,no,N,65,,25555,bmse001334,BMET001334
1,covalent,SING,C1,H30,no,N,1,,25579,bmse001335,BMET001335
2,covalent,SING,C1,H31,no,N,2,,25579,bmse001335,BMET001335
3,covalent,SING,C1,H32,no,N,3,,25579,bmse001335,BMET001335
4,covalent,SING,C2,H33,no,N,4,,25579,bmse001335,BMET001335
5,covalent,SING,C2,H34,no,N,5,,25579,bmse001335,BMET001335
6,covalent,SING,C2,H35,no,N,6,,25579,bmse001335,BMET001335
7,covalent,SING,C3,H36,no,N,7,,25579,bmse001335,BMET001335
8,covalent,SING,C3,H37,no,N,8,,25579,bmse001335,BMET001335
9,covalent,SING,C3,H38,no,N,9,,25579,bmse001335,BMET001335
10,covalent,SING,C4,H39,no,N,10,,25579,bmse001335,BMET001335
11,covalent,SING,C4,H40,no,N,11,,25579,bmse001335,BMET001335
12,covalent,SING,C4,H41,no,N,12,,25579,bmse001335,BMET001335
13,covalent,SING,C5,C1,no,N,13,,25579,bmse001335,BMET001335
14,covalent,SING,C5,H42,no,N,14,,25579,bmse001335,BMET001335
15,covalent,SING,C5,H43,no,N,15,,25579,bmse001335,BMET001335
16,covalent,DOUB,C6,C7,no,N,16,,25579,bmse001335,BMET001335
17,covalent,SING,C6,H44,no,N,17,,25579,bmse001335,BMET001335
18,covalent,SING,C7,H45,no,N,18,,25579,bmse001335,BMET001335
19,covalent,SING,C8,C19,no,N,19,,25579,bmse001335,BMET001335
20,covalent,SING,C8,H46,no,N,20,,25579,bmse001335,BMET001335
21,covalent,SING,C8,H47,no,N,21,,25579,bmse001335,BMET001335
22,covalent,SING,C9,C8,no,N,22,,25579,bmse001335,BMET001335
23,covalent,SING,C9,H48,no,N,23,,25579,bmse001335,BMET001335
24,covalent,SING,C9,H49,no,N,24,,25579,bmse001335,BMET001335
25,covalent,SING,C10,H50,no,N,25,,25579,bmse001335,BMET001335
26,covalent,SING,C11,C14,no,N,26,,25579,bmse001335,BMET001335
27,covalent,SING,C11,H51,no,N,27,,25579,bmse001335,BMET001335
28,covalent,SING,C11,H52,no,N,28,,25579,bmse001335,BMET001335
29,covalent,SING,C12,C18,no,N,29,,25579,bmse001335,BMET001335
30,covalent,SING,C12,H53,no,N,30,,25579,bmse001335,BMET001335
31,covalent,SING,C12,H54,no,N,31,,25579,bmse001335,BMET001335
32,covalent,SING,C13,C22,no,N,32,,25579,bmse001335,BMET001335
33,covalent,SING,C13,H55,no,N,33,,25579,bmse001335,BMET001335
34,covalent,SING,C13,H56,no,N,34,,25579,bmse001335,BMET001335
35,covalent,SING,C14,C2,no,N,35,,25579,bmse001335,BMET001335
36,covalent,SING,C14,C10,no,N,36,,25579,bmse001335,BMET001335
37,covalent,SING,C14,H57,no,N,37,,25579,bmse001335,BMET001335
38,covalent,SING,C15,C3,no,N,38,,25579,bmse001335,BMET001335
39,covalent,SING,C15,C5,no,N,39,,25579,bmse001335,BMET001335
40,covalent,SING,C15,H58,no,N,40,,25579,bmse001335,BMET001335
41,covalent,SING,C16,C4,no,N,41,,25579,bmse001335,BMET001335
42,covalent,SING,C16,C6,no,N,42,,25579,bmse001335,BMET001335
43,covalent,SING,C16,H59,no,N,43,,25579,bmse001335,BMET001335
44,covalent,SING,C17,C7,no,N,44,,25579,bmse001335,BMET001335
45,covalent,DOUB,C17,C10,no,N,45,,25579,bmse001335,BMET001335
46,covalent,SING,C18,C13,no,N,46,,25579,bmse001335,BMET001335
47,covalent,SING,C18,H60,no,N,47,,25579,bmse001335,BMET001335
48,covalent,SING,C19,C12,no,N,48,,25579,bmse001335,BMET001335
49,covalent,SING,C19,H61,no,N,49,,25579,bmse001335,BMET001335
50,covalent,SING,C20,C9,no,N,50,,25579,bmse001335,BMET001335
51,covalent,SING,C20,C16,no,N,51,,25579,bmse001335,BMET001335
52,covalent,SING,C20,H62,no,N,52,,25579,bmse001335,BMET001335
53,covalent,SING,C21,C11,no,N,53,,25579,bmse001335,BMET001335
54,covalent,SING,C21,H63,no,N,54,,25579,bmse001335,BMET001335
55,covalent,SING,C23,C17,no,N,55,,25579,bmse001335,BMET001335
56,covalent,SING,C23,C20,no,N,56,,25579,bmse001335,BMET001335
57,covalent,SING,C23,C21,no,N,57,,25579,bmse001335,BMET001335
58,covalent,SING,C23,H64,no,N,58,,25579,bmse001335,BMET001335
59,covalent,SING,C24,C15,no,N,59,,25579,bmse001335,BMET001335
60,covalent,SING,O25,C18,no,N,60,,25579,bmse001335,BMET001335
61,covalent,SING,O25,H65,no,N,61,,25579,bmse001335,BMET001335
62,carbonyl,DOUB,O26,C22,no,N,62,,25579,bmse001335,BMET001335
63,carbonyl,DOUB,O27,C24,no,N,63,,25579,bmse001335,BMET001335
64,covalent,SING,O28,C19,no,N,64,,25579,bmse001335,BMET001335
65,ester,SING,O28,C22,no,N,65,,25579,bmse001335,BMET001335
66,covalent,SING,O29,C21,no,N,66,,25579,bmse001335,BMET001335
67,ester,SING,O29,C24,no,N,67,,25579,bmse001335,BMET001335
1,covalent,SING,C1,H28,no,N,1,,25603,bmse001336,BMET001336
2,covalent,SING,C1,H29,no,N,2,,25603,bmse001336,BMET001336
3,covalent,SING,C1,H30,no,N,3,,25603,bmse001336,BMET001336
4,covalent,SING,C2,H31,no,N,4,,25603,bmse001336,BMET001336
5,covalent,SING,C2,H32,no,N,5,,25603,bmse001336,BMET001336
6,covalent,SING,C2,H33,no,N,6,,25603,bmse001336,BMET001336
7,covalent,SING,C3,H34,no,N,7,,25603,bmse001336,BMET001336
8,covalent,SING,C3,H35,no,N,8,,25603,bmse001336,BMET001336
9,covalent,SING,C3,H36,no,N,9,,25603,bmse001336,BMET001336
10,covalent,SING,C4,H37,no,N,10,,25603,bmse001336,BMET001336
11,covalent,SING,C4,H38,no,N,11,,25603,bmse001336,BMET001336
12,covalent,SING,C4,H39,no,N,12,,25603,bmse001336,BMET001336
13,covalent,SING,C5,H40,no,N,13,,25603,bmse001336,BMET001336
14,covalent,SING,C5,H41,no,N,14,,25603,bmse001336,BMET001336
15,covalent,SING,C5,H42,no,N,15,,25603,bmse001336,BMET001336
16,covalent,AROM,C6,C8,yes,N,16,,25603,bmse001336,BMET001336
17,covalent,SING,C6,H43,no,N,17,,25603,bmse001336,BMET001336
18,covalent,AROM,C7,C9,yes,N,18,,25603,bmse001336,BMET001336
19,covalent,SING,C7,H44,no,N,19,,25603,bmse001336,BMET001336
20,covalent,AROM,C8,C12,yes,N,20,,25603,bmse001336,BMET001336
21,covalent,SING,C8,H45,no,N,21,,25603,bmse001336,BMET001336
22,covalent,AROM,C9,C12,yes,N,22,,25603,bmse001336,BMET001336
23,covalent,SING,C9,H46,no,N,23,,25603,bmse001336,BMET001336
24,covalent,SING,C10,H47,no,N,24,,25603,bmse001336,BMET001336
25,covalent,AROM,C11,C6,yes,N,25,,25603,bmse001336,BMET001336
26,covalent,AROM,C11,C7,yes,N,26,,25603,bmse001336,BMET001336
27,covalent,AROM,C13,C10,yes,N,27,,25603,bmse001336,BMET001336
28,covalent,AROM,C14,C10,yes,N,28,,25603,bmse001336,BMET001336
29,covalent,SING,C14,C11,no,N,29,,25603,bmse001336,BMET001336
30,covalent,AROM,C15,C13,yes,N,30,,25603,bmse001336,BMET001336
31,covalent,AROM,C15,C16,yes,N,31,,25603,bmse001336,BMET001336
32,covalent,AROM,C15,C17,yes,N,32,,25603,bmse001336,BMET001336
33,covalent,AROM,C16,C18,yes,N,33,,25603,bmse001336,BMET001336
34,covalent,AROM,C17,C19,yes,N,34,,25603,bmse001336,BMET001336
35,covalent,AROM,C18,C20,yes,N,35,,25603,bmse001336,BMET001336
36,covalent,AROM,C19,C20,yes,N,36,,25603,bmse001336,BMET001336
37,carbonyl,DOUB,O21,C13,no,N,37,,25603,bmse001336,BMET001336
38,covalent,SING,O22,C1,no,N,38,,25603,bmse001336,BMET001336
39,covalent,SING,O22,C12,no,N,39,,25603,bmse001336,BMET001336
40,covalent,SING,O23,C2,no,N,40,,25603,bmse001336,BMET001336
41,covalent,SING,O23,C16,no,N,41,,25603,bmse001336,BMET001336
42,covalent,SING,O24,C3,no,N,42,,25603,bmse001336,BMET001336
43,covalent,SING,O24,C18,no,N,43,,25603,bmse001336,BMET001336
44,covalent,SING,O25,C4,no,N,44,,25603,bmse001336,BMET001336
45,covalent,SING,O25,C19,no,N,45,,25603,bmse001336,BMET001336
46,covalent,SING,O26,C5,no,N,46,,25603,bmse001336,BMET001336
47,covalent,SING,O26,C20,no,N,47,,25603,bmse001336,BMET001336
48,covalent,AROM,O27,C14,yes,N,48,,25603,bmse001336,BMET001336
49,covalent,AROM,O27,C17,yes,N,49,,25603,bmse001336,BMET001336
1,covalent,SING,C1,H24,no,N,1,,25627,bmse001337,BMET001337
2,covalent,SING,C1,H25,no,N,2,,25627,bmse001337,BMET001337
3,covalent,SING,C1,H26,no,N,3,,25627,bmse001337,BMET001337
4,covalent,SING,C2,C13,no,N,4,,25627,bmse001337,BMET001337
5,covalent,SING,C2,H27,no,N,5,,25627,bmse001337,BMET001337
6,covalent,SING,C2,H28,no,N,6,,25627,bmse001337,BMET001337
7,covalent,SING,C3,C2,no,N,7,,25627,bmse001337,BMET001337
8,covalent,SING,C3,H29,no,N,8,,25627,bmse001337,BMET001337
9,covalent,SING,C3,H30,no,N,9,,25627,bmse001337,BMET001337
10,covalent,SING,C4,C5,no,N,10,,25627,bmse001337,BMET001337
11,covalent,SING,C4,H31,no,N,11,,25627,bmse001337,BMET001337
12,covalent,SING,C4,H32,no,N,12,,25627,bmse001337,BMET001337
13,covalent,SING,C5,H33,no,N,13,,25627,bmse001337,BMET001337
14,covalent,SING,C5,H34,no,N,14,,25627,bmse001337,BMET001337
15,covalent,SING,C6,H35,no,N,15,,25627,bmse001337,BMET001337
16,covalent,SING,C7,C9,no,N,16,,25627,bmse001337,BMET001337
17,covalent,SING,C7,H36,no,N,17,,25627,bmse001337,BMET001337
18,covalent,SING,C7,H37,no,N,18,,25627,bmse001337,BMET001337
19,covalent,SING,C8,C6,no,N,19,,25627,bmse001337,BMET001337
20,covalent,SING,C8,H38,no,N,20,,25627,bmse001337,BMET001337
21,covalent,SING,C8,H39,no,N,21,,25627,bmse001337,BMET001337
22,covalent,SING,C9,H40,no,N,22,,25627,bmse001337,BMET001337
23,covalent,SING,C9,H41,no,N,23,,25627,bmse001337,BMET001337
24,covalent,SING,C10,C11,no,N,24,,25627,bmse001337,BMET001337
25,covalent,SING,C10,H42,no,N,25,,25627,bmse001337,BMET001337
26,covalent,SING,C10,H43,no,N,26,,25627,bmse001337,BMET001337
27,covalent,SING,C11,H44,no,N,27,,25627,bmse001337,BMET001337
28,covalent,SING,C11,H45,no,N,28,,25627,bmse001337,BMET001337
29,covalent,SING,C12,C20,no,N,29,,25627,bmse001337,BMET001337
30,covalent,SING,C12,H46,no,N,30,,25627,bmse001337,BMET001337
31,covalent,SING,C12,H47,no,N,31,,25627,bmse001337,BMET001337
32,covalent,SING,C13,C12,no,N,32,,25627,bmse001337,BMET001337
33,covalent,SING,C14,C7,no,N,33,,25627,bmse001337,BMET001337
34,covalent,DOUB,C14,C13,no,N,34,,25627,bmse001337,BMET001337
35,covalent,DOUB,C15,C6,no,N,35,,25627,bmse001337,BMET001337
36,covalent,SING,C15,C14,no,N,36,,25627,bmse001337,BMET001337
37,covalent,SING,C16,C3,no,N,37,,25627,bmse001337,BMET001337
38,covalent,SING,C16,C15,no,N,38,,25627,bmse001337,BMET001337
39,covalent,SING,C16,H48,no,N,39,,25627,bmse001337,BMET001337
40,covalent,SING,C17,C4,no,N,40,,25627,bmse001337,BMET001337
41,covalent,SING,C17,C16,no,N,41,,25627,bmse001337,BMET001337
42,covalent,SING,C17,C19,no,N,42,,25627,bmse001337,BMET001337
43,covalent,SING,C17,H49,no,N,43,,25627,bmse001337,BMET001337
44,covalent,SING,C18,C5,no,N,44,,25627,bmse001337,BMET001337
45,covalent,SING,C19,C1,no,N,45,,25627,bmse001337,BMET001337
46,covalent,SING,C19,C8,no,N,46,,25627,bmse001337,BMET001337
47,covalent,SING,C19,C18,no,N,47,,25627,bmse001337,BMET001337
48,covalent,SING,C20,C9,no,N,48,,25627,bmse001337,BMET001337
49,carbonyl,DOUB,O21,C18,no,N,49,,25627,bmse001337,BMET001337
50,covalent,SING,O22,C10,no,N,50,,25627,bmse001337,BMET001337
51,covalent,SING,O22,C20,no,N,51,,25627,bmse001337,BMET001337
52,covalent,SING,O23,C11,no,N,52,,25627,bmse001337,BMET001337
53,covalent,SING,O23,C20,no,N,53,,25627,bmse001337,BMET001337
1,covalent,SING,C1,H13,no,N,1,,25651,bmse001338,BMET001338
2,covalent,SING,C1,H14,no,N,2,,25651,bmse001338,BMET001338
3,covalent,SING,C1,H15,no,N,3,,25651,bmse001338,BMET001338
4,covalent,SING,C2,C3,no,N,4,,25651,bmse001338,BMET001338
5,covalent,SING,C2,C7,no,N,5,,25651,bmse001338,BMET001338
6,covalent,SING,C2,H16,no,N,6,,25651,bmse001338,BMET001338
7,covalent,SING,C2,H17,no,N,7,,25651,bmse001338,BMET001338
8,covalent,SING,C3,C9,no,N,8,,25651,bmse001338,BMET001338
9,covalent,SING,C3,H18,no,N,9,,25651,bmse001338,BMET001338
10,covalent,SING,C3,H19,no,N,10,,25651,bmse001338,BMET001338
11,covalent,AROM,C4,C5,yes,N,11,,25651,bmse001338,BMET001338
12,covalent,SING,C4,H20,no,N,12,,25651,bmse001338,BMET001338
13,covalent,SING,C5,H21,no,N,13,,25651,bmse001338,BMET001338
14,covalent,SING,C6,H22,no,N,14,,25651,bmse001338,BMET001338
15,covalent,SING,C7,C1,no,N,15,,25651,bmse001338,BMET001338
16,covalent,SING,C7,H23,no,N,16,,25651,bmse001338,BMET001338
17,covalent,AROM,C8,C4,yes,N,17,,25651,bmse001338,BMET001338
18,covalent,AROM,C8,C6,yes,N,18,,25651,bmse001338,BMET001338
19,covalent,SING,C9,C8,no,N,19,,25651,bmse001338,BMET001338
20,covalent,SING,O10,C7,no,N,20,,25651,bmse001338,BMET001338
21,covalent,SING,O10,H24,no,N,21,,25651,bmse001338,BMET001338
22,carbonyl,DOUB,O11,C9,no,N,22,,25651,bmse001338,BMET001338
23,covalent,AROM,O12,C5,yes,N,23,,25651,bmse001338,BMET001338
24,covalent,AROM,O12,C6,yes,N,24,,25651,bmse001338,BMET001338
1,covalent,SING,C1,H38,no,N,1,,25675,bmse001339,BMET001339
2,covalent,SING,C1,H39,no,N,2,,25675,bmse001339,BMET001339
3,covalent,SING,C1,H40,no,N,3,,25675,bmse001339,BMET001339
4,covalent,SING,C2,H41,no,N,4,,25675,bmse001339,BMET001339
5,covalent,SING,C2,H42,no,N,5,,25675,bmse001339,BMET001339
6,covalent,SING,C2,H43,no,N,6,,25675,bmse001339,BMET001339
7,covalent,SING,C3,H44,no,N,7,,25675,bmse001339,BMET001339
8,covalent,SING,C3,H45,no,N,8,,25675,bmse001339,BMET001339
9,covalent,SING,C3,H46,no,N,9,,25675,bmse001339,BMET001339
10,covalent,SING,C4,H47,no,N,10,,25675,bmse001339,BMET001339
11,covalent,SING,C4,H48,no,N,11,,25675,bmse001339,BMET001339
12,covalent,SING,C4,H49,no,N,12,,25675,bmse001339,BMET001339
13,covalent,SING,C5,H50,no,N,13,,25675,bmse001339,BMET001339
14,covalent,AROM,C6,C8,yes,N,14,,25675,bmse001339,BMET001339
15,covalent,SING,C6,H51,no,N,15,,25675,bmse001339,BMET001339
16,covalent,AROM,C7,C5,yes,N,16,,25675,bmse001339,BMET001339
17,covalent,SING,C7,H52,no,N,17,,25675,bmse001339,BMET001339
18,covalent,SING,C8,H53,no,N,18,,25675,bmse001339,BMET001339
19,covalent,SING,C9,C1,no,N,19,,25675,bmse001339,BMET001339
20,covalent,AROM,C9,C17,yes,N,20,,25675,bmse001339,BMET001339
21,covalent,AROM,C10,C6,yes,N,21,,25675,bmse001339,BMET001339
22,covalent,AROM,C10,C20,yes,N,22,,25675,bmse001339,BMET001339
23,covalent,AROM,C11,C5,yes,N,23,,25675,bmse001339,BMET001339
24,covalent,AROM,C11,C18,yes,N,24,,25675,bmse001339,BMET001339
25,covalent,SING,C11,C21,no,N,25,,25675,bmse001339,BMET001339
26,covalent,AROM,C12,C7,yes,N,26,,25675,bmse001339,BMET001339
27,covalent,AROM,C13,C8,yes,N,27,,25675,bmse001339,BMET001339
28,covalent,AROM,C14,C9,yes,N,28,,25675,bmse001339,BMET001339
29,covalent,SING,C14,C10,no,N,29,,25675,bmse001339,BMET001339
30,covalent,AROM,C14,C15,yes,N,30,,25675,bmse001339,BMET001339
31,covalent,AROM,C15,C19,yes,N,31,,25675,bmse001339,BMET001339
32,covalent,DOUB,C16,C24,no,N,32,,25675,bmse001339,BMET001339
33,covalent,SING,C17,C25,no,N,33,,25675,bmse001339,BMET001339
34,covalent,SING,C18,C22,no,N,34,,25675,bmse001339,BMET001339
35,covalent,SING,C19,C12,no,N,35,,25675,bmse001339,BMET001339
36,covalent,AROM,C20,C23,yes,N,36,,25675,bmse001339,BMET001339
37,covalent,SING,C21,C24,no,N,37,,25675,bmse001339,BMET001339
38,covalent,SING,C22,C16,no,N,38,,25675,bmse001339,BMET001339
39,covalent,AROM,C23,C13,yes,N,39,,25675,bmse001339,BMET001339
40,covalent,SING,N26,C15,no,N,40,,25675,bmse001339,BMET001339
41,covalent,SING,N26,H54,no,N,41,,25675,bmse001339,BMET001339
42,covalent,SING,N26,H55,no,N,42,,25675,bmse001339,BMET001339
43,covalent,SING,N27,C16,no,N,43,,25675,bmse001339,BMET001339
44,covalent,SING,N27,H56,no,N,44,,25675,bmse001339,BMET001339
45,covalent,SING,N27,H57,no,N,45,,25675,bmse001339,BMET001339
46,covalent,AROM,N28,C12,yes,N,46,,25675,bmse001339,BMET001339
47,covalent,AROM,N28,C18,yes,N,47,,25675,bmse001339,BMET001339
48,covalent,AROM,N29,C17,yes,N,48,,25675,bmse001339,BMET001339
49,covalent,AROM,N29,C19,yes,N,49,,25675,bmse001339,BMET001339
50,covalent,SING,O30,C20,no,N,50,,25675,bmse001339,BMET001339
51,covalent,SING,O30,H58,no,N,51,,25675,bmse001339,BMET001339
52,carbonyl,DOUB,O31,C21,no,N,52,,25675,bmse001339,BMET001339
53,carbonyl,DOUB,O32,C22,no,N,53,,25675,bmse001339,BMET001339
54,ester,SING,O33,C25,no,N,54,,25675,bmse001339,BMET001339
55,covalent,SING,O33,H59,no,N,55,,25675,bmse001339,BMET001339
56,carbonyl,DOUB,O34,C25,no,N,56,,25675,bmse001339,BMET001339
57,covalent,SING,O35,C2,no,N,57,,25675,bmse001339,BMET001339
58,covalent,SING,O35,C13,no,N,58,,25675,bmse001339,BMET001339
59,covalent,SING,O36,C3,no,N,59,,25675,bmse001339,BMET001339
60,covalent,SING,O36,C23,no,N,60,,25675,bmse001339,BMET001339
61,covalent,SING,O37,C4,no,N,61,,25675,bmse001339,BMET001339
62,covalent,SING,O37,C24,no,N,62,,25675,bmse001339,BMET001339
1,covalent,SING,C1,H20,no,N,1,,25699,bmse001340,BMET001340
2,covalent,SING,C1,H21,no,N,2,,25699,bmse001340,BMET001340
3,covalent,SING,C1,H22,no,N,3,,25699,bmse001340,BMET001340
4,covalent,SING,C2,H23,no,N,4,,25699,bmse001340,BMET001340
5,covalent,SING,C2,H24,no,N,5,,25699,bmse001340,BMET001340
6,covalent,SING,C2,H25,no,N,6,,25699,bmse001340,BMET001340
7,covalent,AROM,C3,C4,yes,N,7,,25699,bmse001340,BMET001340
8,covalent,SING,C3,H26,no,N,8,,25699,bmse001340,BMET001340
9,covalent,SING,C4,H27,no,N,9,,25699,bmse001340,BMET001340
10,covalent,AROM,C5,C3,yes,N,10,,25699,bmse001340,BMET001340
11,covalent,SING,C5,H28,no,N,11,,25699,bmse001340,BMET001340
12,covalent,AROM,C6,C4,yes,N,12,,25699,bmse001340,BMET001340
13,covalent,SING,C6,H29,no,N,13,,25699,bmse001340,BMET001340
14,covalent,AROM,C7,C8,yes,N,14,,25699,bmse001340,BMET001340
15,covalent,SING,C7,H30,no,N,15,,25699,bmse001340,BMET001340
16,covalent,SING,C8,H31,no,N,16,,25699,bmse001340,BMET001340
17,covalent,SING,C9,H32,no,N,17,,25699,bmse001340,BMET001340
18,covalent,SING,C10,C1,no,N,18,,25699,bmse001340,BMET001340
19,covalent,AROM,C10,C14,yes,N,19,,25699,bmse001340,BMET001340
20,covalent,SING,C11,C2,no,N,20,,25699,bmse001340,BMET001340
21,covalent,AROM,C11,C12,yes,N,21,,25699,bmse001340,BMET001340
22,covalent,AROM,C12,C7,yes,N,22,,25699,bmse001340,BMET001340
23,covalent,AROM,C12,C14,yes,N,23,,25699,bmse001340,BMET001340
24,covalent,AROM,C13,C5,yes,N,24,,25699,bmse001340,BMET001340
25,covalent,AROM,C13,C15,yes,N,25,,25699,bmse001340,BMET001340
26,covalent,AROM,C14,C9,yes,N,26,,25699,bmse001340,BMET001340
27,covalent,AROM,C15,C6,yes,N,27,,25699,bmse001340,BMET001340
28,covalent,AROM,C16,C10,yes,N,28,,25699,bmse001340,BMET001340
29,covalent,AROM,C16,C13,yes,N,29,,25699,bmse001340,BMET001340
30,covalent,AROM,C16,C17,yes,N,30,,25699,bmse001340,BMET001340
31,covalent,AROM,C17,C11,yes,N,31,,25699,bmse001340,BMET001340
32,covalent,AROM,N18,C8,yes,N,32,,25699,bmse001340,BMET001340
33,covalent,AROM,N18,C9,yes,N,33,,25699,bmse001340,BMET001340
34,covalent,AROM,N19,C15,yes,N,34,,25699,bmse001340,BMET001340
35,covalent,AROM,N19,C17,yes,N,35,,25699,bmse001340,BMET001340
36,covalent,SING,N19,H33,no,N,36,,25699,bmse001340,BMET001340
1,covalent,SING,C1,H30,no,N,1,,25723,bmse001341,BMET001341
2,covalent,SING,C1,H31,no,N,2,,25723,bmse001341,BMET001341
3,covalent,SING,C1,H32,no,N,3,,25723,bmse001341,BMET001341
4,covalent,SING,C2,H33,no,N,4,,25723,bmse001341,BMET001341
5,covalent,SING,C2,H34,no,N,5,,25723,bmse001341,BMET001341
6,covalent,SING,C2,H35,no,N,6,,25723,bmse001341,BMET001341
7,covalent,SING,C3,H36,no,N,7,,25723,bmse001341,BMET001341
8,covalent,SING,C3,H37,no,N,8,,25723,bmse001341,BMET001341
9,covalent,SING,C3,H38,no,N,9,,25723,bmse001341,BMET001341
10,covalent,SING,C4,H39,no,N,10,,25723,bmse001341,BMET001341
11,covalent,SING,C4,H40,no,N,11,,25723,bmse001341,BMET001341
12,covalent,SING,C4,H41,no,N,12,,25723,bmse001341,BMET001341
13,covalent,SING,C5,H42,no,N,13,,25723,bmse001341,BMET001341
14,covalent,SING,C5,H43,no,N,14,,25723,bmse001341,BMET001341
15,covalent,SING,C5,H44,no,N,15,,25723,bmse001341,BMET001341
16,covalent,SING,C6,C13,no,N,16,,25723,bmse001341,BMET001341
17,covalent,SING,C6,H45,no,N,17,,25723,bmse001341,BMET001341
18,covalent,SING,C6,H46,no,N,18,,25723,bmse001341,BMET001341
19,covalent,AROM,C7,C9,yes,N,19,,25723,bmse001341,BMET001341
20,covalent,SING,C7,H47,no,N,20,,25723,bmse001341,BMET001341
21,covalent,SING,C8,C6,no,N,21,,25723,bmse001341,BMET001341
22,covalent,SING,C8,H48,no,N,22,,25723,bmse001341,BMET001341
23,covalent,SING,C8,H49,no,N,23,,25723,bmse001341,BMET001341
24,covalent,AROM,C9,C18,yes,N,24,,25723,bmse001341,BMET001341
25,covalent,SING,C9,H50,no,N,25,,25723,bmse001341,BMET001341
26,covalent,AROM,C10,C19,yes,N,26,,25723,bmse001341,BMET001341
27,covalent,SING,C10,H51,no,N,27,,25723,bmse001341,BMET001341
28,covalent,AROM,C11,C17,yes,N,28,,25723,bmse001341,BMET001341
29,covalent,SING,C11,H52,no,N,29,,25723,bmse001341,BMET001341
30,covalent,SING,C12,C1,no,N,30,,25723,bmse001341,BMET001341
31,covalent,AROM,C13,C10,yes,N,31,,25723,bmse001341,BMET001341
32,covalent,AROM,C13,C20,yes,N,32,,25723,bmse001341,BMET001341
33,covalent,AROM,C14,C7,yes,N,33,,25723,bmse001341,BMET001341
34,covalent,AROM,C15,C11,yes,N,34,,25723,bmse001341,BMET001341
35,covalent,AROM,C15,C14,yes,N,35,,25723,bmse001341,BMET001341
36,covalent,SING,C16,C8,no,N,36,,25723,bmse001341,BMET001341
37,covalent,SING,C16,C15,no,N,37,,25723,bmse001341,BMET001341
38,covalent,SING,C16,H53,no,N,38,,25723,bmse001341,BMET001341
39,covalent,AROM,C17,C18,yes,N,39,,25723,bmse001341,BMET001341
40,covalent,SING,C20,C14,no,N,40,,25723,bmse001341,BMET001341
41,covalent,AROM,C20,C22,yes,N,41,,25723,bmse001341,BMET001341
42,covalent,AROM,C21,C19,yes,N,42,,25723,bmse001341,BMET001341
43,covalent,AROM,C22,C21,yes,N,43,,25723,bmse001341,BMET001341
44,amide,SING,N23,C12,no,N,44,,25723,bmse001341,BMET001341
45,covalent,SING,N23,C16,no,N,45,,25723,bmse001341,BMET001341
46,covalent,SING,N23,H54,no,N,46,,25723,bmse001341,BMET001341
47,carbonyl,DOUB,O24,C12,no,N,47,,25723,bmse001341,BMET001341
48,carbonyl,DOUB,O25,C17,no,N,48,,25723,bmse001341,BMET001341
49,covalent,SING,O26,C2,no,N,49,,25723,bmse001341,BMET001341
50,covalent,SING,O26,C18,no,N,50,,25723,bmse001341,BMET001341
51,covalent,SING,O27,C3,no,N,51,,25723,bmse001341,BMET001341
52,covalent,SING,O27,C19,no,N,52,,25723,bmse001341,BMET001341
53,covalent,SING,O28,C4,no,N,53,,25723,bmse001341,BMET001341
54,covalent,SING,O28,C21,no,N,54,,25723,bmse001341,BMET001341
55,covalent,SING,O29,C5,no,N,55,,25723,bmse001341,BMET001341
56,covalent,SING,O29,C22,no,N,56,,25723,bmse001341,BMET001341
1,covalent,SING,C1,H39,no,N,1,,25747,bmse001342,BMET001342
2,covalent,SING,C1,H40,no,N,2,,25747,bmse001342,BMET001342
3,covalent,SING,C1,H41,no,N,3,,25747,bmse001342,BMET001342
4,covalent,SING,C2,H42,no,N,4,,25747,bmse001342,BMET001342
5,covalent,SING,C2,H43,no,N,5,,25747,bmse001342,BMET001342
6,covalent,SING,C2,H44,no,N,6,,25747,bmse001342,BMET001342
7,covalent,SING,C3,H45,no,N,7,,25747,bmse001342,BMET001342
8,covalent,SING,C3,H46,no,N,8,,25747,bmse001342,BMET001342
9,covalent,SING,C3,H47,no,N,9,,25747,bmse001342,BMET001342
10,covalent,SING,C4,H48,no,N,10,,25747,bmse001342,BMET001342
11,covalent,AROM,C5,C4,yes,N,11,,25747,bmse001342,BMET001342
12,covalent,SING,C5,H49,no,N,12,,25747,bmse001342,BMET001342
13,covalent,AROM,C6,C4,yes,N,13,,25747,bmse001342,BMET001342
14,covalent,SING,C6,H50,no,N,14,,25747,bmse001342,BMET001342
15,covalent,SING,C7,C14,no,N,15,,25747,bmse001342,BMET001342
16,covalent,SING,C7,H51,no,N,16,,25747,bmse001342,BMET001342
17,covalent,SING,C7,H52,no,N,17,,25747,bmse001342,BMET001342
18,covalent,SING,C8,C13,no,N,18,,25747,bmse001342,BMET001342
19,covalent,SING,C8,H53,no,N,19,,25747,bmse001342,BMET001342
20,covalent,SING,C8,H54,no,N,20,,25747,bmse001342,BMET001342
21,covalent,SING,C9,H55,no,N,21,,25747,bmse001342,BMET001342
22,covalent,SING,C9,H56,no,N,22,,25747,bmse001342,BMET001342
23,covalent,SING,C10,C1,no,N,23,,25747,bmse001342,BMET001342
24,covalent,SING,C10,H57,no,N,24,,25747,bmse001342,BMET001342
25,covalent,SING,C11,C2,no,N,25,,25747,bmse001342,BMET001342
26,covalent,AROM,C12,C5,yes,N,26,,25747,bmse001342,BMET001342
27,covalent,AROM,C13,C24,yes,N,27,,25747,bmse001342,BMET001342
28,covalent,SING,C14,C22,no,N,28,,25747,bmse001342,BMET001342
29,covalent,SING,C14,H58,no,N,29,,25747,bmse001342,BMET001342
30,covalent,AROM,C15,C6,yes,N,30,,25747,bmse001342,BMET001342
31,covalent,SING,C16,C9,no,N,31,,25747,bmse001342,BMET001342
32,covalent,SING,C16,C19,no,N,32,,25747,bmse001342,BMET001342
33,covalent,SING,C16,H59,no,N,33,,25747,bmse001342,BMET001342
34,covalent,SING,C17,C7,no,N,34,,25747,bmse001342,BMET001342
35,covalent,SING,C17,H60,no,N,35,,25747,bmse001342,BMET001342
36,covalent,AROM,C18,C12,yes,N,36,,25747,bmse001342,BMET001342
37,covalent,AROM,C18,C15,yes,N,37,,25747,bmse001342,BMET001342
38,covalent,AROM,C19,C13,yes,N,38,,25747,bmse001342,BMET001342
39,covalent,AROM,C19,C26,yes,N,39,,25747,bmse001342,BMET001342
40,covalent,SING,C20,C23,no,N,40,,25747,bmse001342,BMET001342
41,covalent,AROM,C21,C20,yes,N,41,,25747,bmse001342,BMET001342
42,covalent,SING,C21,C25,no,N,42,,25747,bmse001342,BMET001342
43,covalent,SING,C22,C10,no,N,43,,25747,bmse001342,BMET001342
44,covalent,SING,C22,H61,no,N,44,,25747,bmse001342,BMET001342
45,covalent,SING,C23,C12,no,N,45,,25747,bmse001342,BMET001342
46,covalent,AROM,C24,C20,yes,N,46,,25747,bmse001342,BMET001342
47,covalent,SING,C25,C18,no,N,47,,25747,bmse001342,BMET001342
48,covalent,AROM,C26,C21,yes,N,48,,25747,bmse001342,BMET001342
49,covalent,SING,C27,C8,no,N,49,,25747,bmse001342,BMET001342
50,covalent,SING,C27,C9,no,N,50,,25747,bmse001342,BMET001342
51,covalent,SING,C27,C11,no,N,51,,25747,bmse001342,BMET001342
52,covalent,SING,N28,C14,no,N,52,,25747,bmse001342,BMET001342
53,covalent,SING,N28,H62,no,N,53,,25747,bmse001342,BMET001342
54,covalent,SING,N28,H63,no,N,54,,25747,bmse001342,BMET001342
55,carbonyl,DOUB,O29,C11,no,N,55,,25747,bmse001342,BMET001342
56,covalent,SING,O30,C22,no,N,56,,25747,bmse001342,BMET001342
57,covalent,SING,O30,H64,no,N,57,,25747,bmse001342,BMET001342
58,carbonyl,DOUB,O31,C23,no,N,58,,25747,bmse001342,BMET001342
59,covalent,SING,O32,C24,no,N,59,,25747,bmse001342,BMET001342
60,covalent,SING,O32,H65,no,N,60,,25747,bmse001342,BMET001342
61,carbonyl,DOUB,O33,C25,no,N,61,,25747,bmse001342,BMET001342
62,covalent,SING,O34,C26,no,N,62,,25747,bmse001342,BMET001342
63,covalent,SING,O34,H66,no,N,63,,25747,bmse001342,BMET001342
64,covalent,SING,O35,C27,no,N,64,,25747,bmse001342,BMET001342
65,covalent,SING,O35,H67,no,N,65,,25747,bmse001342,BMET001342
66,covalent,SING,O36,C3,no,N,66,,25747,bmse001342,BMET001342
67,covalent,SING,O36,C15,no,N,67,,25747,bmse001342,BMET001342
68,covalent,SING,O37,C10,no,N,68,,25747,bmse001342,BMET001342
69,covalent,SING,O37,C17,no,N,69,,25747,bmse001342,BMET001342
70,covalent,SING,O38,C16,no,N,70,,25747,bmse001342,BMET001342
71,covalent,SING,O38,C17,no,N,71,,25747,bmse001342,BMET001342
1,covalent,SING,C1,H19,no,N,1,,25771,bmse001343,BMET001343
2,covalent,SING,C1,H20,no,N,2,,25771,bmse001343,BMET001343
3,covalent,SING,C2,H21,no,N,3,,25771,bmse001343,BMET001343
4,covalent,SING,C2,H22,no,N,4,,25771,bmse001343,BMET001343
5,covalent,SING,C3,H23,no,N,5,,25771,bmse001343,BMET001343
6,covalent,SING,C3,H24,no,N,6,,25771,bmse001343,BMET001343
7,covalent,SING,C4,H25,no,N,7,,25771,bmse001343,BMET001343
8,covalent,SING,C4,H26,no,N,8,,25771,bmse001343,BMET001343
9,covalent,SING,C5,C2,no,N,9,,25771,bmse001343,BMET001343
10,covalent,SING,C5,C3,no,N,10,,25771,bmse001343,BMET001343
11,covalent,SING,C5,H27,no,N,11,,25771,bmse001343,BMET001343
12,covalent,SING,C6,C1,no,N,12,,25771,bmse001343,BMET001343
13,covalent,SING,C6,C7,no,N,13,,25771,bmse001343,BMET001343
14,covalent,SING,C6,H28,no,N,14,,25771,bmse001343,BMET001343
15,covalent,SING,C7,C8,no,N,15,,25771,bmse001343,BMET001343
16,covalent,SING,C7,H29,no,N,16,,25771,bmse001343,BMET001343
17,covalent,SING,C8,H30,no,N,17,,25771,bmse001343,BMET001343
18,covalent,SING,C9,C8,no,N,18,,25771,bmse001343,BMET001343
19,covalent,SING,C9,H31,no,N,19,,25771,bmse001343,BMET001343
20,covalent,SING,C10,C1,no,N,20,,25771,bmse001343,BMET001343
21,covalent,SING,C10,C4,no,N,21,,25771,bmse001343,BMET001343
22,covalent,SING,C10,C9,no,N,22,,25771,bmse001343,BMET001343
23,covalent,SING,N11,C5,no,N,23,,25771,bmse001343,BMET001343
24,covalent,SING,N11,C6,no,N,24,,25771,bmse001343,BMET001343
25,covalent,SING,N11,H32,no,N,25,,25771,bmse001343,BMET001343
26,covalent,SING,O12,C2,no,N,26,,25771,bmse001343,BMET001343
27,covalent,SING,O12,H33,no,N,27,,25771,bmse001343,BMET001343
28,covalent,SING,O13,C3,no,N,28,,25771,bmse001343,BMET001343
29,covalent,SING,O13,H34,no,N,29,,25771,bmse001343,BMET001343
30,covalent,SING,O14,C4,no,N,30,,25771,bmse001343,BMET001343
31,covalent,SING,O14,H35,no,N,31,,25771,bmse001343,BMET001343
32,covalent,SING,O15,C7,no,N,32,,25771,bmse001343,BMET001343
33,covalent,SING,O15,H36,no,N,33,,25771,bmse001343,BMET001343
34,covalent,SING,O16,C8,no,N,34,,25771,bmse001343,BMET001343
35,covalent,SING,O16,H37,no,N,35,,25771,bmse001343,BMET001343
36,covalent,SING,O17,C9,no,N,36,,25771,bmse001343,BMET001343
37,covalent,SING,O17,H38,no,N,37,,25771,bmse001343,BMET001343
38,covalent,SING,O18,C10,no,N,38,,25771,bmse001343,BMET001343
39,covalent,SING,O18,H39,no,N,39,,25771,bmse001343,BMET001343
1,covalent,SING,C1,C6,,,,,25792,bmse010001,1
2,covalent,SING,C2,C4,,,,,25792,bmse010001,1
3,covalent,DOUB,C2,C7,,,,,25792,bmse010001,1
4,covalent,DOUB,C3,C5,,,,,25792,bmse010001,1
5,covalent,SING,C3,C7,,,,,25792,bmse010001,1
6,covalent,DOUB,C4,C8,,,,,25792,bmse010001,1
7,covalent,SING,C5,C8,,,,,25792,bmse010001,1
8,covalent,SING,C6,C7,,,,,25792,bmse010001,1
9,covalent,SING,C6,O9,,,,,25792,bmse010001,1
10,covalent,SING,C8,O10,,,,,25792,bmse010001,1
11,covalent,SING,C1,H11,,,,,25792,bmse010001,1
12,covalent,SING,C1,H12,,,,,25792,bmse010001,1
13,covalent,SING,C1,H13,,,,,25792,bmse010001,1
14,covalent,SING,C2,H14,,,,,25792,bmse010001,1
15,covalent,SING,C3,H15,,,,,25792,bmse010001,1
16,covalent,SING,C4,H16,,,,,25792,bmse010001,1
17,covalent,SING,C5,H17,,,,,25792,bmse010001,1
18,covalent,SING,C6,H18,,,,,25792,bmse010001,1
19,covalent,SING,O9,H19,,,,,25792,bmse010001,1
20,covalent,SING,O10,H20,,,,,25792,bmse010001,1
1,covalent,SING,C1,C6,,,,,25812,bmse010002,1
2,covalent,SING,C2,O12,,,,,25812,bmse010002,1
3,covalent,DOUB,C3,C4,,,,,25812,bmse010002,1
4,covalent,SING,C3,C7,,,,,25812,bmse010002,1
5,covalent,SING,C4,C8,,,,,25812,bmse010002,1
6,covalent,DOUB,C5,C7,,,,,25812,bmse010002,1
7,covalent,SING,C5,C9,,,,,25812,bmse010002,1
8,covalent,SING,C6,C7,,,,,25812,bmse010002,1
9,covalent,SING,C6,O10,,,,,25812,bmse010002,1
10,covalent,DOUB,C8,C9,,,,,25812,bmse010002,1
11,covalent,SING,C8,O11,,,,,25812,bmse010002,1
12,covalent,SING,C9,O12,,,,,25812,bmse010002,1
13,covalent,SING,C1,H13,,,,,25812,bmse010002,1
14,covalent,SING,C1,H15,,,,,25812,bmse010002,1
15,covalent,SING,C1,H14,,,,,25812,bmse010002,1
16,covalent,SING,C2,H16,,,,,25812,bmse010002,1
17,covalent,SING,C2,H17,,,,,25812,bmse010002,1
18,covalent,SING,C2,H18,,,,,25812,bmse010002,1
19,covalent,SING,C3,H19,,,,,25812,bmse010002,1
20,covalent,SING,C4,H20,,,,,25812,bmse010002,1
21,covalent,SING,C5,H21,,,,,25812,bmse010002,1
22,covalent,SING,C6,H22,,,,,25812,bmse010002,1
23,covalent,SING,O10,H23,,,,,25812,bmse010002,1
24,covalent,SING,O11,H24,,,,,25812,bmse010002,1
1,covalent,SING,C1,C6,,,,,25832,bmse010003,1
2,covalent,SING,C2,O13,,,,,25832,bmse010003,1
3,covalent,SING,C3,O14,,,,,25832,bmse010003,1
4,covalent,DOUB,C4,C7,,,,,25832,bmse010003,1
5,covalent,SING,C4,C8,,,,,25832,bmse010003,1
6,covalent,SING,C5,C7,,,,,25832,bmse010003,1
7,covalent,DOUB,C5,C9,,,,,25832,bmse010003,1
8,covalent,SING,C6,C7,,,,,25832,bmse010003,1
9,covalent,SING,C6,O11,,,,,25832,bmse010003,1
10,covalent,DOUB,C8,C10,,,,,25832,bmse010003,1
11,covalent,SING,C8,O13,,,,,25832,bmse010003,1
12,covalent,SING,C9,C10,,,,,25832,bmse010003,1
13,covalent,SING,C9,O14,,,,,25832,bmse010003,1
14,covalent,SING,C10,O12,,,,,25832,bmse010003,1
15,covalent,SING,C1,H17,,,,,25832,bmse010003,1
16,covalent,SING,C1,H15,,,,,25832,bmse010003,1
17,covalent,SING,C1,H16,,,,,25832,bmse010003,1
18,covalent,SING,C2,H18,,,,,25832,bmse010003,1
19,covalent,SING,C2,H20,,,,,25832,bmse010003,1
20,covalent,SING,C2,H19,,,,,25832,bmse010003,1
21,covalent,SING,C3,H21,,,,,25832,bmse010003,1
22,covalent,SING,C3,H23,,,,,25832,bmse010003,1
23,covalent,SING,C3,H22,,,,,25832,bmse010003,1
24,covalent,SING,C4,H24,,,,,25832,bmse010003,1
25,covalent,SING,C5,H25,,,,,25832,bmse010003,1
26,covalent,SING,C6,H26,,,,,25832,bmse010003,1
27,covalent,SING,O11,H27,,,,,25832,bmse010003,1
28,covalent,SING,O12,H28,,,,,25832,bmse010003,1
1,covalent,SING,C1,C7,,,,,25852,bmse010004,1
2,covalent,SING,C2,O12,,,,,25852,bmse010004,1
3,covalent,SING,C3,O13,,,,,25852,bmse010004,1
4,covalent,DOUB,C4,C5,,,,,25852,bmse010004,1
5,covalent,SING,C4,C8,,,,,25852,bmse010004,1
6,covalent,SING,C5,C9,,,,,25852,bmse010004,1
7,covalent,DOUB,C6,C8,,,,,25852,bmse010004,1
8,covalent,SING,C6,C10,,,,,25852,bmse010004,1
9,covalent,SING,C7,C8,,,,,25852,bmse010004,1
10,covalent,SING,C7,O11,,,,,25852,bmse010004,1
11,covalent,DOUB,C9,C10,,,,,25852,bmse010004,1
12,covalent,SING,C9,O12,,,,,25852,bmse010004,1
13,covalent,SING,C10,O13,,,,,25852,bmse010004,1
14,covalent,SING,C1,H14,,,,,25852,bmse010004,1
15,covalent,SING,C1,H16,,,,,25852,bmse010004,1
16,covalent,SING,C1,H15,,,,,25852,bmse010004,1
17,covalent,SING,C2,H17,,,,,25852,bmse010004,1
18,covalent,SING,C2,H19,,,,,25852,bmse010004,1
19,covalent,SING,C2,H18,,,,,25852,bmse010004,1
20,covalent,SING,C3,H20,,,,,25852,bmse010004,1
21,covalent,SING,C3,H21,,,,,25852,bmse010004,1
22,covalent,SING,C3,H22,,,,,25852,bmse010004,1
23,covalent,SING,C4,H23,,,,,25852,bmse010004,1
24,covalent,SING,C5,H24,,,,,25852,bmse010004,1
25,covalent,SING,C6,H25,,,,,25852,bmse010004,1
26,covalent,SING,C7,H26,,,,,25852,bmse010004,1
27,covalent,SING,O11,H27,,,,,25852,bmse010004,1
1,covalent,SING,C1,C3,,,,,25872,bmse010005,1
2,covalent,DOUB,C1,C6,,,,,25872,bmse010005,1
3,covalent,DOUB,C2,C4,,,,,25872,bmse010005,1
4,covalent,SING,C2,C6,,,,,25872,bmse010005,1
5,covalent,DOUB,C3,C7,,,,,25872,bmse010005,1
6,covalent,SING,C4,C7,,,,,25872,bmse010005,1
7,covalent,SING,C5,C6,,,,,25872,bmse010005,1
8,covalent,DOUB,C5,O8,,,,,25872,bmse010005,1
9,covalent,SING,C7,O9,,,,,25872,bmse010005,1
10,covalent,SING,C1,H10,,,,,25872,bmse010005,1
11,covalent,SING,C2,H11,,,,,25872,bmse010005,1
12,covalent,SING,C3,H12,,,,,25872,bmse010005,1
13,covalent,SING,C4,H13,,,,,25872,bmse010005,1
14,covalent,SING,C5,H14,,,,,25872,bmse010005,1
15,covalent,SING,O9,H15,,,,,25872,bmse010005,1
1,covalent,SING,C1,O11,,,,,25892,bmse010006,1
2,covalent,DOUB,C2,C3,,,,,25892,bmse010006,1
3,covalent,SING,C2,C6,,,,,25892,bmse010006,1
4,covalent,SING,C3,C7,,,,,25892,bmse010006,1
5,covalent,DOUB,C4,C6,,,,,25892,bmse010006,1
6,covalent,SING,C4,C8,,,,,25892,bmse010006,1
7,covalent,SING,C5,C6,,,,,25892,bmse010006,1
8,covalent,DOUB,C5,O9,,,,,25892,bmse010006,1
9,covalent,DOUB,C7,C8,,,,,25892,bmse010006,1
10,covalent,SING,C7,O10,,,,,25892,bmse010006,1
11,covalent,SING,C8,O11,,,,,25892,bmse010006,1
12,covalent,SING,C1,H12,,,,,25892,bmse010006,1
13,covalent,SING,C1,H13,,,,,25892,bmse010006,1
14,covalent,SING,C1,H14,,,,,25892,bmse010006,1
15,covalent,SING,C2,H15,,,,,25892,bmse010006,1
16,covalent,SING,C3,H16,,,,,25892,bmse010006,1
17,covalent,SING,C4,H17,,,,,25892,bmse010006,1
18,covalent,SING,C5,H18,,,,,25892,bmse010006,1
19,covalent,SING,O10,H19,,,,,25892,bmse010006,1
1,covalent,SING,C1,O12,,,,,25912,bmse010007,1
2,covalent,SING,C2,O13,,,,,25912,bmse010007,1
3,covalent,DOUB,C3,C6,,,,,25912,bmse010007,1
4,covalent,SING,C3,C7,,,,,25912,bmse010007,1
5,covalent,SING,C4,C6,,,,,25912,bmse010007,1
6,covalent,DOUB,C4,C8,,,,,25912,bmse010007,1
7,covalent,SING,C5,C6,,,,,25912,bmse010007,1
8,covalent,SING,C5,O10,,,,,25912,bmse010007,1
9,covalent,DOUB,C7,C9,,,,,25912,bmse010007,1
10,covalent,SING,C7,O12,,,,,25912,bmse010007,1
11,covalent,SING,C8,C9,,,,,25912,bmse010007,1
12,covalent,SING,C8,O13,,,,,25912,bmse010007,1
13,covalent,SING,C9,O11,,,,,25912,bmse010007,1
14,covalent,SING,C1,H14,,,,,25912,bmse010007,1
15,covalent,SING,C1,H16,,,,,25912,bmse010007,1
16,covalent,SING,C1,H15,,,,,25912,bmse010007,1
17,covalent,SING,C2,H17,,,,,25912,bmse010007,1
18,covalent,SING,C2,H19,,,,,25912,bmse010007,1
19,covalent,SING,C2,H18,,,,,25912,bmse010007,1
20,covalent,SING,C3,H20,,,,,25912,bmse010007,1
21,covalent,SING,C4,H21,,,,,25912,bmse010007,1
22,covalent,SING,C5,H22,,,,,25912,bmse010007,1
23,covalent,SING,C5,H23,,,,,25912,bmse010007,1
24,covalent,SING,O10,H24,,,,,25912,bmse010007,1
25,covalent,SING,O11,H25,,,,,25912,bmse010007,1
1,covalent,SING,C1,C7,,,,,25932,bmse010008,1
2,covalent,SING,C2,O13,,,,,25932,bmse010008,1
3,covalent,SING,C3,C5,,,,,25932,bmse010008,1
4,covalent,DOUB,C3,C8,,,,,25932,bmse010008,1
5,covalent,DOUB,C4,C6,,,,,25932,bmse010008,1
6,covalent,SING,C4,C8,,,,,25932,bmse010008,1
7,covalent,DOUB,C5,C9,,,,,25932,bmse010008,1
8,covalent,SING,C6,C9,,,,,25932,bmse010008,1
9,covalent,DOUB,C7,O11,,,,,25932,bmse010008,1
10,covalent,SING,C7,O14,,,,,25932,bmse010008,1
11,covalent,SING,C8,C10,,,,,25932,bmse010008,1
12,covalent,SING,C9,O14,,,,,25932,bmse010008,1
13,covalent,DOUB,C10,O12,,,,,25932,bmse010008,1
14,covalent,SING,C10,O13,,,,,25932,bmse010008,1
15,covalent,SING,C1,H15,,,,,25932,bmse010008,1
16,covalent,SING,C1,H16,,,,,25932,bmse010008,1
17,covalent,SING,C1,H17,,,,,25932,bmse010008,1
18,covalent,SING,C2,H19,,,,,25932,bmse010008,1
19,covalent,SING,C2,H20,,,,,25932,bmse010008,1
20,covalent,SING,C2,H18,,,,,25932,bmse010008,1
21,covalent,SING,C3,H21,,,,,25932,bmse010008,1
22,covalent,SING,C4,H22,,,,,25932,bmse010008,1
23,covalent,SING,C5,H23,,,,,25932,bmse010008,1
24,covalent,SING,C6,H24,,,,,25932,bmse010008,1
1,covalent,SING,C1,O11,,,,,25952,bmse010009,1
2,covalent,SING,C2,C4,,,,,25952,bmse010009,1
3,covalent,DOUB,C2,C6,,,,,25952,bmse010009,1
4,covalent,DOUB,C3,C5,,,,,25952,bmse010009,1
5,covalent,SING,C3,C6,,,,,25952,bmse010009,1
6,covalent,DOUB,C4,C7,,,,,25952,bmse010009,1
7,covalent,SING,C5,C7,,,,,25952,bmse010009,1
8,covalent,SING,C6,C8,,,,,25952,bmse010009,1
9,covalent,SING,C7,O9,,,,,25952,bmse010009,1
10,covalent,DOUB,C8,O10,,,,,25952,bmse010009,1
11,covalent,SING,C8,O11,,,,,25952,bmse010009,1
12,covalent,SING,C1,H13,,,,,25952,bmse010009,1
13,covalent,SING,C1,H14,,,,,25952,bmse010009,1
14,covalent,SING,C1,H12,,,,,25952,bmse010009,1
15,covalent,SING,C2,H15,,,,,25952,bmse010009,1
16,covalent,SING,C3,H16,,,,,25952,bmse010009,1
17,covalent,SING,C4,H17,,,,,25952,bmse010009,1
18,covalent,SING,C5,H18,,,,,25952,bmse010009,1
19,covalent,SING,O9,H19,,,,,25952,bmse010009,1
1,covalent,SING,C1,O11,,,,,25972,bmse010010,1
2,covalent,DOUB,C2,C3,,,,,25972,bmse010010,1
3,covalent,SING,C2,C6,,,,,25972,bmse010010,1
4,covalent,SING,C3,C7,,,,,25972,bmse010010,1
5,covalent,DOUB,C4,C6,,,,,25972,bmse010010,1
6,covalent,SING,C4,C8,,,,,25972,bmse010010,1
7,covalent,SING,C5,C6,,,,,25972,bmse010010,1
8,covalent,SING,C5,O9,,,,,25972,bmse010010,1
9,covalent,DOUB,C7,C8,,,,,25972,bmse010010,1
10,covalent,SING,C7,O10,,,,,25972,bmse010010,1
11,covalent,SING,C8,O11,,,,,25972,bmse010010,1
12,covalent,SING,C1,H12,,,,,25972,bmse010010,1
13,covalent,SING,C1,H13,,,,,25972,bmse010010,1
14,covalent,SING,C1,H14,,,,,25972,bmse010010,1
15,covalent,SING,C2,H15,,,,,25972,bmse010010,1
16,covalent,SING,C3,H16,,,,,25972,bmse010010,1
17,covalent,SING,C4,H17,,,,,25972,bmse010010,1
18,covalent,SING,C5,H18,,,,,25972,bmse010010,1
19,covalent,SING,C5,H19,,,,,25972,bmse010010,1
20,covalent,SING,O9,H20,,,,,25972,bmse010010,1
21,covalent,SING,O10,H21,,,,,25972,bmse010010,1
1,covalent,SING,C1,C9,,,,,25992,bmse010011,1
2,covalent,SING,C2,C10,,,,,25992,bmse010011,1
3,covalent,SING,C3,O19,,,,,25992,bmse010011,1
4,covalent,SING,C4,O20,,,,,25992,bmse010011,1
5,covalent,DOUB,C5,C6,,,,,25992,bmse010011,1
6,covalent,SING,C5,C11,,,,,25992,bmse010011,1
7,covalent,SING,C6,C12,,,,,25992,bmse010011,1
8,covalent,DOUB,C7,C11,,,,,25992,bmse010011,1
9,covalent,SING,C7,C13,,,,,25992,bmse010011,1
10,covalent,SING,C8,C14,,,,,25992,bmse010011,1
11,covalent,SING,C8,O21,,,,,25992,bmse010011,1
12,covalent,DOUB,C9,O16,,,,,25992,bmse010011,1
13,covalent,SING,C9,O21,,,,,25992,bmse010011,1
14,covalent,DOUB,C10,O17,,,,,25992,bmse010011,1
15,covalent,SING,C10,O22,,,,,25992,bmse010011,1
16,covalent,SING,C11,C15,,,,,25992,bmse010011,1
17,covalent,DOUB,C12,C13,,,,,25992,bmse010011,1
18,covalent,SING,C12,O19,,,,,25992,bmse010011,1
19,covalent,SING,C13,O20,,,,,25992,bmse010011,1
20,covalent,SING,C14,C15,,,,,25992,bmse010011,1
21,covalent,SING,C14,O22,,,,,25992,bmse010011,1
22,covalent,DOUB,C15,O18,,,,,25992,bmse010011,1
23,covalent,SING,C1,H23,,,,,25992,bmse010011,1
24,covalent,SING,C1,H25,,,,,25992,bmse010011,1
25,covalent,SING,C1,H24,,,,,25992,bmse010011,1
26,covalent,SING,C2,H28,,,,,25992,bmse010011,1
27,covalent,SING,C2,H27,,,,,25992,bmse010011,1
28,covalent,SING,C2,H26,,,,,25992,bmse010011,1
29,covalent,SING,C3,H29,,,,,25992,bmse010011,1
30,covalent,SING,C3,H31,,,,,25992,bmse010011,1
31,covalent,SING,C3,H30,,,,,25992,bmse010011,1
32,covalent,SING,C4,H33,,,,,25992,bmse010011,1
33,covalent,SING,C4,H34,,,,,25992,bmse010011,1
34,covalent,SING,C4,H32,,,,,25992,bmse010011,1
35,covalent,SING,C5,H35,,,,,25992,bmse010011,1
36,covalent,SING,C6,H36,,,,,25992,bmse010011,1
37,covalent,SING,C7,H37,,,,,25992,bmse010011,1
38,covalent,SING,C8,H38,,,,,25992,bmse010011,1
39,covalent,SING,C8,H39,,,,,25992,bmse010011,1
40,covalent,SING,C14,H40,,,,,25992,bmse010011,1
1,covalent,SING,C1,O11,,,,,26012,bmse010012,1
2,covalent,SING,C2,C4,,,,,26012,bmse010012,1
3,covalent,DOUB,C2,C6,,,,,26012,bmse010012,1
4,covalent,DOUB,C3,C5,,,,,26012,bmse010012,1
5,covalent,SING,C3,C6,,,,,26012,bmse010012,1
6,covalent,DOUB,C4,C7,,,,,26012,bmse010012,1
7,covalent,SING,C5,C7,,,,,26012,bmse010012,1
8,covalent,SING,C6,C8,,,,,26012,bmse010012,1
9,covalent,SING,C7,O11,,,,,26012,bmse010012,1
10,covalent,SING,C8,O9,,,,,26012,bmse010012,1
11,covalent,DOUB,C8,O10,,,,,26012,bmse010012,1
12,covalent,SING,C1,H14,,,,,26012,bmse010012,1
13,covalent,SING,C1,H13,,,,,26012,bmse010012,1
14,covalent,SING,C1,H12,,,,,26012,bmse010012,1
15,covalent,SING,C2,H15,,,,,26012,bmse010012,1
16,covalent,SING,C3,H16,,,,,26012,bmse010012,1
17,covalent,SING,C4,H17,,,,,26012,bmse010012,1
18,covalent,SING,C5,H18,,,,,26012,bmse010012,1
19,covalent,SING,O9,H19,,,,,26012,bmse010012,1
1,covalent,SING,C1,O21,,,,,26032,bmse010013,1
2,covalent,SING,C2,O22,,,,,26032,bmse010013,1
3,covalent,SING,C3,O23,,,,,26032,bmse010013,1
4,covalent,SING,C4,O24,,,,,26032,bmse010013,1
5,covalent,DOUB,C5,C6,,,,,26032,bmse010013,1
6,covalent,SING,C5,C7,,,,,26032,bmse010013,1
7,covalent,SING,C6,C13,,,,,26032,bmse010013,1
8,covalent,DOUB,C7,C14,,,,,26032,bmse010013,1
9,covalent,DOUB,C8,C11,,,,,26032,bmse010013,1
10,covalent,SING,C8,C15,,,,,26032,bmse010013,1
11,covalent,SING,C9,C11,,,,,26032,bmse010013,1
12,covalent,DOUB,C9,C16,,,,,26032,bmse010013,1
13,covalent,SING,C10,C12,,,,,26032,bmse010013,1
14,covalent,SING,C10,O25,,,,,26032,bmse010013,1
15,covalent,SING,C11,C12,,,,,26032,bmse010013,1
16,covalent,DOUB,C12,O19,,,,,26032,bmse010013,1
17,covalent,DOUB,C13,C18,,,,,26032,bmse010013,1
18,covalent,SING,C13,O21,,,,,26032,bmse010013,1
19,covalent,SING,C14,C18,,,,,26032,bmse010013,1
20,covalent,SING,C14,O22,,,,,26032,bmse010013,1
21,covalent,DOUB,C15,C17,,,,,26032,bmse010013,1
22,covalent,SING,C15,O23,,,,,26032,bmse010013,1
23,covalent,SING,C16,C17,,,,,26032,bmse010013,1
24,covalent,SING,C16,O24,,,,,26032,bmse010013,1
25,covalent,SING,C17,O20,,,,,26032,bmse010013,1
26,covalent,SING,C18,O25,,,,,26032,bmse010013,1
27,covalent,SING,C1,H26,,,,,26032,bmse010013,1
28,covalent,SING,C1,H27,,,,,26032,bmse010013,1
29,covalent,SING,C1,H28,,,,,26032,bmse010013,1
30,covalent,SING,C2,H29,,,,,26032,bmse010013,1
31,covalent,SING,C2,H30,,,,,26032,bmse010013,1
32,covalent,SING,C2,H31,,,,,26032,bmse010013,1
33,covalent,SING,C3,H32,,,,,26032,bmse010013,1
34,covalent,SING,C3,H33,,,,,26032,bmse010013,1
35,covalent,SING,C3,H34,,,,,26032,bmse010013,1
36,covalent,SING,C4,H35,,,,,26032,bmse010013,1
37,covalent,SING,C4,H36,,,,,26032,bmse010013,1
38,covalent,SING,C4,H37,,,,,26032,bmse010013,1
39,covalent,SING,C5,H38,,,,,26032,bmse010013,1
40,covalent,SING,C6,H39,,,,,26032,bmse010013,1
41,covalent,SING,C7,H40,,,,,26032,bmse010013,1
42,covalent,SING,C8,H41,,,,,26032,bmse010013,1
43,covalent,SING,C9,H42,,,,,26032,bmse010013,1
44,covalent,SING,C10,H43,,,,,26032,bmse010013,1
45,covalent,SING,C10,H44,,,,,26032,bmse010013,1
46,covalent,SING,O20,H45,,,,,26032,bmse010013,1
1,covalent,SING,C1,C8,,,,,26052,bmse010014,1
2,covalent,SING,C2,C9,,,,,26052,bmse010014,1
3,covalent,SING,C3,C10,,,,,26052,bmse010014,1
4,covalent,SING,C4,C6,,,,,26052,bmse010014,1
5,covalent,DOUB,C4,C11,,,,,26052,bmse010014,1
6,covalent,DOUB,C5,C7,,,,,26052,bmse010014,1
7,covalent,SING,C5,C11,,,,,26052,bmse010014,1
8,covalent,DOUB,C6,C12,,,,,26052,bmse010014,1
9,covalent,SING,C7,C12,,,,,26052,bmse010014,1
10,covalent,SING,C8,C11,,,,,26052,bmse010014,1
11,covalent,SING,C8,O15,,,,,26052,bmse010014,1
12,covalent,DOUB,C9,O13,,,,,26052,bmse010014,1
13,covalent,SING,C9,O15,,,,,26052,bmse010014,1
14,covalent,DOUB,C10,O14,,,,,26052,bmse010014,1
15,covalent,SING,C10,O16,,,,,26052,bmse010014,1
16,covalent,SING,C12,O16,,,,,26052,bmse010014,1
17,covalent,SING,C1,H17,,,,,26052,bmse010014,1
18,covalent,SING,C1,H18,,,,,26052,bmse010014,1
19,covalent,SING,C1,H19,,,,,26052,bmse010014,1
20,covalent,SING,C2,H21,,,,,26052,bmse010014,1
21,covalent,SING,C2,H20,,,,,26052,bmse010014,1
22,covalent,SING,C2,H22,,,,,26052,bmse010014,1
23,covalent,SING,C3,H23,,,,,26052,bmse010014,1
24,covalent,SING,C3,H24,,,,,26052,bmse010014,1
25,covalent,SING,C3,H25,,,,,26052,bmse010014,1
26,covalent,SING,C4,H26,,,,,26052,bmse010014,1
27,covalent,SING,C5,H27,,,,,26052,bmse010014,1
28,covalent,SING,C6,H28,,,,,26052,bmse010014,1
29,covalent,SING,C7,H29,,,,,26052,bmse010014,1
30,covalent,SING,C8,H30,,,,,26052,bmse010014,1
1,covalent,SING,C1,C8,,,,,26072,bmse010015,1
2,covalent,SING,C2,C9,,,,,26072,bmse010015,1
3,covalent,SING,C3,C5,,,,,26072,bmse010015,1
4,covalent,DOUB,C3,C10,,,,,26072,bmse010015,1
5,covalent,DOUB,C4,C6,,,,,26072,bmse010015,1
6,covalent,SING,C4,C10,,,,,26072,bmse010015,1
7,covalent,DOUB,C5,C11,,,,,26072,bmse010015,1
8,covalent,SING,C6,C11,,,,,26072,bmse010015,1
9,covalent,SING,C7,C10,,,,,26072,bmse010015,1
10,covalent,SING,C7,O14,,,,,26072,bmse010015,1
11,covalent,DOUB,C8,O12,,,,,26072,bmse010015,1
12,covalent,SING,C8,O14,,,,,26072,bmse010015,1
13,covalent,DOUB,C9,O13,,,,,26072,bmse010015,1
14,covalent,SING,C9,O15,,,,,26072,bmse010015,1
15,covalent,SING,C11,O15,,,,,26072,bmse010015,1
16,covalent,SING,C1,H17,,,,,26072,bmse010015,1
17,covalent,SING,C1,H16,,,,,26072,bmse010015,1
18,covalent,SING,C1,H18,,,,,26072,bmse010015,1
19,covalent,SING,C2,H19,,,,,26072,bmse010015,1
20,covalent,SING,C2,H20,,,,,26072,bmse010015,1
21,covalent,SING,C2,H21,,,,,26072,bmse010015,1
22,covalent,SING,C3,H22,,,,,26072,bmse010015,1
23,covalent,SING,C4,H23,,,,,26072,bmse010015,1
24,covalent,SING,C5,H24,,,,,26072,bmse010015,1
25,covalent,SING,C6,H25,,,,,26072,bmse010015,1
26,covalent,SING,C7,H26,,,,,26072,bmse010015,1
27,covalent,SING,C7,H27,,,,,26072,bmse010015,1
1,covalent,SING,C1,O11,,,,,26092,bmse010016,1
2,covalent,SING,C2,O12,,,,,26092,bmse010016,1
3,covalent,SING,C3,C5,,,,,26092,bmse010016,1
4,covalent,DOUB,C3,C7,,,,,26092,bmse010016,1
5,covalent,DOUB,C4,C6,,,,,26092,bmse010016,1
6,covalent,SING,C4,C7,,,,,26092,bmse010016,1
7,covalent,DOUB,C5,C8,,,,,26092,bmse010016,1
8,covalent,SING,C6,C8,,,,,26092,bmse010016,1
9,covalent,SING,C7,C9,,,,,26092,bmse010016,1
10,covalent,SING,C8,O11,,,,,26092,bmse010016,1
11,covalent,DOUB,C9,O10,,,,,26092,bmse010016,1
12,covalent,SING,C9,O12,,,,,26092,bmse010016,1
13,covalent,SING,C1,H13,,,,,26092,bmse010016,1
14,covalent,SING,C1,H15,,,,,26092,bmse010016,1
15,covalent,SING,C1,H14,,,,,26092,bmse010016,1
16,covalent,SING,C2,H17,,,,,26092,bmse010016,1
17,covalent,SING,C2,H18,,,,,26092,bmse010016,1
18,covalent,SING,C2,H16,,,,,26092,bmse010016,1
19,covalent,SING,C3,H19,,,,,26092,bmse010016,1
20,covalent,SING,C4,H20,,,,,26092,bmse010016,1
21,covalent,SING,C5,H21,,,,,26092,bmse010016,1
22,covalent,SING,C6,H22,,,,,26092,bmse010016,1
1,covalent,SING,C1,C12,,,,,26112,bmse010017,1
2,covalent,SING,C2,O23,,,,,26112,bmse010017,1
3,covalent,SING,C3,O24,,,,,26112,bmse010017,1
4,covalent,SING,C4,O25,,,,,26112,bmse010017,1
5,covalent,SING,C5,O26,,,,,26112,bmse010017,1
6,covalent,DOUB,C6,C7,,,,,26112,bmse010017,1
7,covalent,SING,C6,C8,,,,,26112,bmse010017,1
8,covalent,SING,C7,C15,,,,,26112,bmse010017,1
9,covalent,DOUB,C8,C16,,,,,26112,bmse010017,1
10,covalent,DOUB,C9,C13,,,,,26112,bmse010017,1
11,covalent,SING,C9,C17,,,,,26112,bmse010017,1
12,covalent,SING,C10,C13,,,,,26112,bmse010017,1
13,covalent,DOUB,C10,C18,,,,,26112,bmse010017,1
14,covalent,SING,C11,C14,,,,,26112,bmse010017,1
15,covalent,SING,C11,O27,,,,,26112,bmse010017,1
16,covalent,DOUB,C12,O21,,,,,26112,bmse010017,1
17,covalent,SING,C12,O28,,,,,26112,bmse010017,1
18,covalent,SING,C13,C14,,,,,26112,bmse010017,1
19,covalent,DOUB,C14,O22,,,,,26112,bmse010017,1
20,covalent,DOUB,C15,C19,,,,,26112,bmse010017,1
21,covalent,SING,C15,O23,,,,,26112,bmse010017,1
22,covalent,SING,C16,C19,,,,,26112,bmse010017,1
23,covalent,SING,C16,O24,,,,,26112,bmse010017,1
24,covalent,DOUB,C17,C20,,,,,26112,bmse010017,1
25,covalent,SING,C17,O25,,,,,26112,bmse010017,1
26,covalent,SING,C18,C20,,,,,26112,bmse010017,1
27,covalent,SING,C18,O26,,,,,26112,bmse010017,1
28,covalent,SING,C19,O27,,,,,26112,bmse010017,1
29,covalent,SING,C20,O28,,,,,26112,bmse010017,1
30,covalent,SING,C1,H29,,,,,26112,bmse010017,1
31,covalent,SING,C1,H30,,,,,26112,bmse010017,1
32,covalent,SING,C1,H31,,,,,26112,bmse010017,1
33,covalent,SING,C2,H32,,,,,26112,bmse010017,1
34,covalent,SING,C2,H33,,,,,26112,bmse010017,1
35,covalent,SING,C2,H34,,,,,26112,bmse010017,1
36,covalent,SING,C3,H35,,,,,26112,bmse010017,1
37,covalent,SING,C3,H36,,,,,26112,bmse010017,1
38,covalent,SING,C3,H37,,,,,26112,bmse010017,1
39,covalent,SING,C4,H38,,,,,26112,bmse010017,1
40,covalent,SING,C4,H39,,,,,26112,bmse010017,1
41,covalent,SING,C4,H40,,,,,26112,bmse010017,1
42,covalent,SING,C5,H41,,,,,26112,bmse010017,1
43,covalent,SING,C5,H42,,,,,26112,bmse010017,1
44,covalent,SING,C5,H43,,,,,26112,bmse010017,1
45,covalent,SING,C6,H44,,,,,26112,bmse010017,1
46,covalent,SING,C7,H45,,,,,26112,bmse010017,1
47,covalent,SING,C8,H46,,,,,26112,bmse010017,1
48,covalent,SING,C9,H47,,,,,26112,bmse010017,1
49,covalent,SING,C10,H48,,,,,26112,bmse010017,1
50,covalent,SING,C11,H49,,,,,26112,bmse010017,1
51,covalent,SING,C11,H50,,,,,26112,bmse010017,1
1,covalent,SING,C1,C12,,,,,26132,bmse010018,1
2,covalent,SING,C2,O22,,,,,26132,bmse010018,1
3,covalent,SING,C3,O23,,,,,26132,bmse010018,1
4,covalent,SING,C4,O24,,,,,26132,bmse010018,1
5,covalent,DOUB,C5,C6,,,,,26132,bmse010018,1
6,covalent,SING,C5,C7,,,,,26132,bmse010018,1
7,covalent,SING,C6,C8,,,,,26132,bmse010018,1
8,covalent,DOUB,C7,C15,,,,,26132,bmse010018,1
9,covalent,DOUB,C8,C16,,,,,26132,bmse010018,1
10,covalent,DOUB,C9,C13,,,,,26132,bmse010018,1
11,covalent,SING,C9,C17,,,,,26132,bmse010018,1
12,covalent,SING,C10,C13,,,,,26132,bmse010018,1
13,covalent,DOUB,C10,C18,,,,,26132,bmse010018,1
14,covalent,SING,C11,C14,,,,,26132,bmse010018,1
15,covalent,SING,C11,O25,,,,,26132,bmse010018,1
16,covalent,DOUB,C12,O20,,,,,26132,bmse010018,1
17,covalent,SING,C12,O26,,,,,26132,bmse010018,1
18,covalent,SING,C13,C14,,,,,26132,bmse010018,1
19,covalent,DOUB,C14,O21,,,,,26132,bmse010018,1
20,covalent,SING,C15,C16,,,,,26132,bmse010018,1
21,covalent,SING,C15,O22,,,,,26132,bmse010018,1
22,covalent,SING,C16,O25,,,,,26132,bmse010018,1
23,covalent,DOUB,C17,C19,,,,,26132,bmse010018,1
24,covalent,SING,C17,O23,,,,,26132,bmse010018,1
25,covalent,SING,C18,C19,,,,,26132,bmse010018,1
26,covalent,SING,C18,O24,,,,,26132,bmse010018,1
27,covalent,SING,C19,O26,,,,,26132,bmse010018,1
28,covalent,SING,C1,H27,,,,,26132,bmse010018,1
29,covalent,SING,C1,H28,,,,,26132,bmse010018,1
30,covalent,SING,C1,H29,,,,,26132,bmse010018,1
31,covalent,SING,C2,H30,,,,,26132,bmse010018,1
32,covalent,SING,C2,H31,,,,,26132,bmse010018,1
33,covalent,SING,C2,H32,,,,,26132,bmse010018,1
34,covalent,SING,C3,H33,,,,,26132,bmse010018,1
35,covalent,SING,C3,H34,,,,,26132,bmse010018,1
36,covalent,SING,C3,H35,,,,,26132,bmse010018,1
37,covalent,SING,C4,H36,,,,,26132,bmse010018,1
38,covalent,SING,C4,H37,,,,,26132,bmse010018,1
39,covalent,SING,C4,H38,,,,,26132,bmse010018,1
40,covalent,SING,C5,H39,,,,,26132,bmse010018,1
41,covalent,SING,C6,H40,,,,,26132,bmse010018,1
42,covalent,SING,C7,H41,,,,,26132,bmse010018,1
43,covalent,SING,C8,H42,,,,,26132,bmse010018,1
44,covalent,SING,C9,H43,,,,,26132,bmse010018,1
45,covalent,SING,C10,H44,,,,,26132,bmse010018,1
46,covalent,SING,C11,H45,,,,,26132,bmse010018,1
47,covalent,SING,C11,H46,,,,,26132,bmse010018,1
1,covalent,SING,C9,C3,,,,,26152,bmse010019,1
2,covalent,DOUB,C9,C5,,,,,26152,bmse010019,1
3,covalent,SING,C5,C13,,,,,26152,bmse010019,1
4,covalent,DOUB,C13,C15,,,,,26152,bmse010019,1
5,covalent,SING,C15,C11,,,,,26152,bmse010019,1
6,covalent,DOUB,C11,C3,,,,,26152,bmse010019,1
7,covalent,SING,C10,C6,,,,,26152,bmse010019,1
8,covalent,DOUB,C10,C4,,,,,26152,bmse010019,1
9,covalent,SING,C4,C12,,,,,26152,bmse010019,1
10,covalent,DOUB,C12,C16,,,,,26152,bmse010019,1
11,covalent,SING,C16,C14,,,,,26152,bmse010019,1
12,covalent,DOUB,C14,C6,,,,,26152,bmse010019,1
13,covalent,SING,C9,C7,,,,,26152,bmse010019,1
14,covalent,SING,C10,C8,,,,,26152,bmse010019,1
15,covalent,SING,C15,O19,,,,,26152,bmse010019,1
16,covalent,SING,C16,O20,,,,,26152,bmse010019,1
17,covalent,SING,C2,O22,,,,,26152,bmse010019,1
18,covalent,SING,C14,O22,,,,,26152,bmse010019,1
19,covalent,SING,C1,O21,,,,,26152,bmse010019,1
20,covalent,SING,C13,O21,,,,,26152,bmse010019,1
21,covalent,DOUB,C7,O17,,,,,26152,bmse010019,1
22,covalent,DOUB,C8,O18,,,,,26152,bmse010019,1
23,covalent,SING,C7,H33,,,,,26152,bmse010019,1
24,covalent,SING,C8,H34,,,,,26152,bmse010019,1
25,covalent,SING,C11,C12,,,,,26152,bmse010019,1
26,covalent,SING,C5,H31,,,,,26152,bmse010019,1
27,covalent,SING,C3,H29,,,,,26152,bmse010019,1
28,covalent,SING,C4,H30,,,,,26152,bmse010019,1
29,covalent,SING,C6,H32,,,,,26152,bmse010019,1
30,covalent,SING,C1,H25,,,,,26152,bmse010019,1
31,covalent,SING,C1,H23,,,,,26152,bmse010019,1
32,covalent,SING,C1,H24,,,,,26152,bmse010019,1
33,covalent,SING,C2,H27,,,,,26152,bmse010019,1
34,covalent,SING,C2,H28,,,,,26152,bmse010019,1
35,covalent,SING,C2,H26,,,,,26152,bmse010019,1
36,covalent,SING,O19,H35,,,,,26152,bmse010019,1
37,covalent,SING,O20,H36,,,,,26152,bmse010019,1
1,covalent,SING,C1,C15,,,,,26169,bmse010020,1
2,covalent,SING,C2,C16,,,,,26169,bmse010020,1
3,covalent,SING,C3,C17,,,,,26169,bmse010020,1
4,covalent,SING,C4,C18,,,,,26169,bmse010020,1
5,covalent,SING,C5,O31,,,,,26169,bmse010020,1
6,covalent,SING,C6,O32,,,,,26169,bmse010020,1
7,covalent,SING,C7,O33,,,,,26169,bmse010020,1
8,covalent,SING,C8,O34,,,,,26169,bmse010020,1
9,covalent,DOUB,C9,C10,,,,,26169,bmse010020,1
10,covalent,SING,C9,C19,,,,,26169,bmse010020,1
11,covalent,SING,C10,C21,,,,,26169,bmse010020,1
12,covalent,DOUB,C11,C19,,,,,26169,bmse010020,1
13,covalent,SING,C11,C22,,,,,26169,bmse010020,1
14,covalent,DOUB,C12,C20,,,,,26169,bmse010020,1
15,covalent,SING,C12,C23,,,,,26169,bmse010020,1
16,covalent,SING,C13,C20,,,,,26169,bmse010020,1
17,covalent,DOUB,C13,C24,,,,,26169,bmse010020,1
18,covalent,SING,C14,C25,,,,,26169,bmse010020,1
19,covalent,SING,C14,O35,,,,,26169,bmse010020,1
20,covalent,SING,C15,C20,,,,,26169,bmse010020,1
21,covalent,SING,C15,O36,,,,,26169,bmse010020,1
22,covalent,DOUB,C16,O28,,,,,26169,bmse010020,1
23,covalent,SING,C16,O35,,,,,26169,bmse010020,1
24,covalent,DOUB,C17,O29,,,,,26169,bmse010020,1
25,covalent,SING,C17,O36,,,,,26169,bmse010020,1
26,covalent,DOUB,C18,O30,,,,,26169,bmse010020,1
27,covalent,SING,C18,O37,,,,,26169,bmse010020,1
28,covalent,SING,C19,C26,,,,,26169,bmse010020,1
29,covalent,DOUB,C21,C22,,,,,26169,bmse010020,1
30,covalent,SING,C21,O31,,,,,26169,bmse010020,1
31,covalent,SING,C22,O32,,,,,26169,bmse010020,1
32,covalent,DOUB,C23,C27,,,,,26169,bmse010020,1
33,covalent,SING,C23,O33,,,,,26169,bmse010020,1
34,covalent,SING,C24,C27,,,,,26169,bmse010020,1
35,covalent,SING,C24,O34,,,,,26169,bmse010020,1
36,covalent,SING,C25,C26,,,,,26169,bmse010020,1
37,covalent,SING,C25,O38,,,,,26169,bmse010020,1
38,covalent,SING,C26,O37,,,,,26169,bmse010020,1
39,covalent,SING,C27,O38,,,,,26169,bmse010020,1
40,covalent,SING,C1,H39,,,,,26169,bmse010020,1
41,covalent,SING,C1,H40,,,,,26169,bmse010020,1
42,covalent,SING,C1,H41,,,,,26169,bmse010020,1
43,covalent,SING,C2,H42,,,,,26169,bmse010020,1
44,covalent,SING,C2,H43,,,,,26169,bmse010020,1
45,covalent,SING,C2,H44,,,,,26169,bmse010020,1
46,covalent,SING,C3,H45,,,,,26169,bmse010020,1
47,covalent,SING,C3,H46,,,,,26169,bmse010020,1
48,covalent,SING,C3,H47,,,,,26169,bmse010020,1
49,covalent,SING,C4,H48,,,,,26169,bmse010020,1
50,covalent,SING,C4,H49,,,,,26169,bmse010020,1
51,covalent,SING,C4,H50,,,,,26169,bmse010020,1
52,covalent,SING,C5,H51,,,,,26169,bmse010020,1
53,covalent,SING,C5,H52,,,,,26169,bmse010020,1
54,covalent,SING,C5,H53,,,,,26169,bmse010020,1
55,covalent,SING,C6,H54,,,,,26169,bmse010020,1
56,covalent,SING,C6,H55,,,,,26169,bmse010020,1
57,covalent,SING,C6,H56,,,,,26169,bmse010020,1
58,covalent,SING,C7,H57,,,,,26169,bmse010020,1
59,covalent,SING,C7,H58,,,,,26169,bmse010020,1
60,covalent,SING,C7,H59,,,,,26169,bmse010020,1
61,covalent,SING,C8,H60,,,,,26169,bmse010020,1
62,covalent,SING,C8,H61,,,,,26169,bmse010020,1
63,covalent,SING,C8,H62,,,,,26169,bmse010020,1
64,covalent,SING,C9,H63,,,,,26169,bmse010020,1
65,covalent,SING,C10,H64,,,,,26169,bmse010020,1
66,covalent,SING,C11,H65,,,,,26169,bmse010020,1
67,covalent,SING,C12,H66,,,,,26169,bmse010020,1
68,covalent,SING,C13,H67,,,,,26169,bmse010020,1
69,covalent,SING,C14,H68,,,,,26169,bmse010020,1
70,covalent,SING,C14,H69,,,,,26169,bmse010020,1
71,covalent,SING,C15,H70,,,,,26169,bmse010020,1
72,covalent,SING,C25,H71,,,,,26169,bmse010020,1
73,covalent,SING,C26,H72,,,,,26169,bmse010020,1
1,covalent,SING,C1,C12,,,,,26189,bmse010021,1
2,covalent,SING,C2,O25,,,,,26189,bmse010021,1
3,covalent,SING,C3,O26,,,,,26189,bmse010021,1
4,covalent,SING,C4,O27,,,,,26189,bmse010021,1
5,covalent,SING,C5,O28,,,,,26189,bmse010021,1
6,covalent,DOUB,C6,C7,,,,,26189,bmse010021,1
7,covalent,SING,C6,C13,,,,,26189,bmse010021,1
8,covalent,SING,C7,C15,,,,,26189,bmse010021,1
9,covalent,DOUB,C8,C13,,,,,26189,bmse010021,1
10,covalent,SING,C8,C16,,,,,26189,bmse010021,1
11,covalent,DOUB,C9,C14,,,,,26189,bmse010021,1
12,covalent,SING,C9,C17,,,,,26189,bmse010021,1
13,covalent,SING,C10,C14,,,,,26189,bmse010021,1
14,covalent,DOUB,C10,C18,,,,,26189,bmse010021,1
15,covalent,SING,C11,C19,,,,,26189,bmse010021,1
16,covalent,SING,C11,O22,,,,,26189,bmse010021,1
17,covalent,SING,C12,C14,,,,,26189,bmse010021,1
18,covalent,SING,C12,O23,,,,,26189,bmse010021,1
19,covalent,SING,C13,C20,,,,,26189,bmse010021,1
20,covalent,DOUB,C15,C16,,,,,26189,bmse010021,1
21,covalent,SING,C15,O25,,,,,26189,bmse010021,1
22,covalent,SING,C16,O26,,,,,26189,bmse010021,1
23,covalent,DOUB,C17,C21,,,,,26189,bmse010021,1
24,covalent,SING,C17,O27,,,,,26189,bmse010021,1
25,covalent,SING,C18,C21,,,,,26189,bmse010021,1
26,covalent,SING,C18,O28,,,,,26189,bmse010021,1
27,covalent,SING,C19,C20,,,,,26189,bmse010021,1
28,covalent,SING,C19,O29,,,,,26189,bmse010021,1
29,covalent,SING,C20,O24,,,,,26189,bmse010021,1
30,covalent,SING,C21,O29,,,,,26189,bmse010021,1
31,covalent,SING,C1,H30,,,,,26189,bmse010021,1
32,covalent,SING,C1,H31,,,,,26189,bmse010021,1
33,covalent,SING,C1,H32,,,,,26189,bmse010021,1
34,covalent,SING,C2,H33,,,,,26189,bmse010021,1
35,covalent,SING,C2,H34,,,,,26189,bmse010021,1
36,covalent,SING,C2,H35,,,,,26189,bmse010021,1
37,covalent,SING,C3,H36,,,,,26189,bmse010021,1
38,covalent,SING,C3,H37,,,,,26189,bmse010021,1
39,covalent,SING,C3,H38,,,,,26189,bmse010021,1
40,covalent,SING,C4,H39,,,,,26189,bmse010021,1
41,covalent,SING,C4,H40,,,,,26189,bmse010021,1
42,covalent,SING,C4,H41,,,,,26189,bmse010021,1
43,covalent,SING,C5,H42,,,,,26189,bmse010021,1
44,covalent,SING,C5,H43,,,,,26189,bmse010021,1
45,covalent,SING,C5,H44,,,,,26189,bmse010021,1
46,covalent,SING,C6,H45,,,,,26189,bmse010021,1
47,covalent,SING,C7,H46,,,,,26189,bmse010021,1
48,covalent,SING,C8,H47,,,,,26189,bmse010021,1
49,covalent,SING,C9,H48,,,,,26189,bmse010021,1
50,covalent,SING,C10,H49,,,,,26189,bmse010021,1
51,covalent,SING,C11,H50,,,,,26189,bmse010021,1
52,covalent,SING,C11,H51,,,,,26189,bmse010021,1
53,covalent,SING,C12,H52,,,,,26189,bmse010021,1
54,covalent,SING,C19,H53,,,,,26189,bmse010021,1
55,covalent,SING,C20,H54,,,,,26189,bmse010021,1
56,covalent,SING,O22,H55,,,,,26189,bmse010021,1
57,covalent,SING,O23,H56,,,,,26189,bmse010021,1
58,covalent,SING,O24,H57,,,,,26189,bmse010021,1
1,covalent,SING,C1,C2,,,,,26209,bmse010022,1
2,covalent,SING,C1,C3,,,,,26209,bmse010022,1
3,covalent,SING,C1,O6,,,,,26209,bmse010022,1
4,covalent,SING,C2,C4,,,,,26209,bmse010022,1
5,covalent,SING,C2,O7,,,,,26209,bmse010022,1
6,covalent,SING,C3,C5,,,,,26209,bmse010022,1
7,covalent,SING,C3,O8,,,,,26209,bmse010022,1
8,covalent,SING,C4,O9,,,,,26209,bmse010022,1
9,covalent,SING,C4,O11,,,,,26209,bmse010022,1
10,covalent,SING,C5,O10,,,,,26209,bmse010022,1
11,covalent,SING,C5,O11,,,,,26209,bmse010022,1
12,covalent,SING,C1,H12,,,,,26209,bmse010022,1
13,covalent,SING,C2,H13,,,,,26209,bmse010022,1
14,covalent,SING,C3,H14,,,,,26209,bmse010022,1
15,covalent,SING,C4,H15,,,,,26209,bmse010022,1
16,covalent,SING,C5,H16,,,,,26209,bmse010022,1
17,covalent,SING,O6,H17,,,,,26209,bmse010022,1
18,covalent,SING,O7,H18,,,,,26209,bmse010022,1
19,covalent,SING,O8,H19,,,,,26209,bmse010022,1
20,covalent,SING,O9,H20,,,,,26209,bmse010022,1
21,covalent,SING,O10,H21,,,,,26209,bmse010022,1
1,covalent,SING,C7,C6,,,,,26223,bmse010023,1
2,covalent,DOUB,C7,C2,,,,,26223,bmse010023,1
3,covalent,SING,C2,C4,,,,,26223,bmse010023,1
4,covalent,DOUB,C4,C8,,,,,26223,bmse010023,1
5,covalent,SING,C8,C9,,,,,26223,bmse010023,1
6,covalent,DOUB,C9,C6,,,,,26223,bmse010023,1
7,covalent,SING,C3,C5,,,,,26223,bmse010023,1
8,covalent,SING,C5,C10,,,,,26223,bmse010023,1
9,covalent,SING,C7,C3,,,,,26223,bmse010023,1
10,covalent,SING,C8,O11,,,,,26223,bmse010023,1
11,covalent,SING,C1,O14,,,,,26223,bmse010023,1
12,covalent,SING,C9,O14,,,,,26223,bmse010023,1
13,covalent,DOUB,C10,O12,,,,,26223,bmse010023,1
14,covalent,SING,C10,O13,,,,,26223,bmse010023,1
15,covalent,SING,C2,H18,,,,,26223,bmse010023,1
16,covalent,SING,C4,H21,,,,,26223,bmse010023,1
17,covalent,SING,C6,H24,,,,,26223,bmse010023,1
18,covalent,SING,C1,H15,,,,,26223,bmse010023,1
19,covalent,SING,C1,H17,,,,,26223,bmse010023,1
20,covalent,SING,C1,H16,,,,,26223,bmse010023,1
21,covalent,SING,C3,H19,,,,,26223,bmse010023,1
22,covalent,SING,C3,H20,,,,,26223,bmse010023,1
23,covalent,SING,C5,H22,,,,,26223,bmse010023,1
24,covalent,SING,C5,H23,,,,,26223,bmse010023,1
25,covalent,SING,O11,H25,,,,,26223,bmse010023,1
26,covalent,SING,O13,H26,,,,,26223,bmse010023,1
1,covalent,SING,C1,C7,,,,,26243,bmse010024,1
2,covalent,SING,C2,O11,,,,,26243,bmse010024,1
3,covalent,SING,C3,C5,,,,,26243,bmse010024,1
4,covalent,DOUB,C3,C8,,,,,26243,bmse010024,1
5,covalent,DOUB,C4,C6,,,,,26243,bmse010024,1
6,covalent,SING,C4,C8,,,,,26243,bmse010024,1
7,covalent,DOUB,C5,C9,,,,,26243,bmse010024,1
8,covalent,SING,C6,C9,,,,,26243,bmse010024,1
9,covalent,SING,C7,C8,,,,,26243,bmse010024,1
10,covalent,DOUB,C7,O10,,,,,26243,bmse010024,1
11,covalent,SING,C9,O11,,,,,26243,bmse010024,1
12,covalent,SING,C1,H14,,,,,26243,bmse010024,1
13,covalent,SING,C1,H13,,,,,26243,bmse010024,1
14,covalent,SING,C1,H12,,,,,26243,bmse010024,1
15,covalent,SING,C2,H17,,,,,26243,bmse010024,1
16,covalent,SING,C2,H16,,,,,26243,bmse010024,1
17,covalent,SING,C2,H15,,,,,26243,bmse010024,1
18,covalent,SING,C3,H18,,,,,26243,bmse010024,1
19,covalent,SING,C4,H19,,,,,26243,bmse010024,1
20,covalent,SING,C5,H20,,,,,26243,bmse010024,1
21,covalent,SING,C6,H21,,,,,26243,bmse010024,1
1,covalent,SING,C1,O10,,,,,26263,bmse010025,1
2,covalent,SING,C2,C4,,,,,26263,bmse010025,1
3,covalent,DOUB,C2,C7,,,,,26263,bmse010025,1
4,covalent,DOUB,C3,C5,,,,,26263,bmse010025,1
5,covalent,SING,C3,C7,,,,,26263,bmse010025,1
6,covalent,DOUB,C4,C8,,,,,26263,bmse010025,1
7,covalent,SING,C5,C8,,,,,26263,bmse010025,1
8,covalent,SING,C6,C7,,,,,26263,bmse010025,1
9,covalent,SING,C6,O9,,,,,26263,bmse010025,1
10,covalent,SING,C8,O10,,,,,26263,bmse010025,1
11,covalent,SING,C1,H11,,,,,26263,bmse010025,1
12,covalent,SING,C1,H13,,,,,26263,bmse010025,1
13,covalent,SING,C1,H12,,,,,26263,bmse010025,1
14,covalent,SING,C2,H14,,,,,26263,bmse010025,1
15,covalent,SING,C3,H15,,,,,26263,bmse010025,1
16,covalent,SING,C4,H16,,,,,26263,bmse010025,1
17,covalent,SING,C5,H17,,,,,26263,bmse010025,1
18,covalent,SING,C6,H18,,,,,26263,bmse010025,1
19,covalent,SING,C6,H19,,,,,26263,bmse010025,1
20,covalent,SING,O9,H20,,,,,26263,bmse010025,1
1,covalent,DOUB,C1,C2,,,,,26283,bmse010026,1
2,covalent,SING,C1,C3,,,,,26283,bmse010026,1
3,covalent,SING,C2,C4,,,,,26283,bmse010026,1
4,covalent,DOUB,C3,C5,,,,,26283,bmse010026,1
5,covalent,DOUB,C4,C6,,,,,26283,bmse010026,1
6,covalent,SING,C5,C6,,,,,26283,bmse010026,1
7,covalent,SING,C6,O7,,,,,26283,bmse010026,1
8,covalent,SING,C1,H8,,,,,26283,bmse010026,1
9,covalent,SING,C2,H9,,,,,26283,bmse010026,1
10,covalent,SING,C3,H10,,,,,26283,bmse010026,1
11,covalent,SING,C4,H11,,,,,26283,bmse010026,1
12,covalent,SING,C5,H12,,,,,26283,bmse010026,1
13,covalent,SING,O7,H13,,,,,26283,bmse010026,1
1,covalent,SING,C1,O9,,,,,26303,bmse010027,1
2,covalent,DOUB,C2,C3,,,,,26303,bmse010027,1
3,covalent,SING,C2,C4,,,,,26303,bmse010027,1
4,covalent,SING,C3,C5,,,,,26303,bmse010027,1
5,covalent,DOUB,C4,C6,,,,,26303,bmse010027,1
6,covalent,DOUB,C5,C7,,,,,26303,bmse010027,1
7,covalent,SING,C6,C7,,,,,26303,bmse010027,1
8,covalent,SING,C6,O8,,,,,26303,bmse010027,1
9,covalent,SING,C7,O9,,,,,26303,bmse010027,1
10,covalent,SING,C1,H10,,,,,26303,bmse010027,1
11,covalent,SING,C1,H12,,,,,26303,bmse010027,1
12,covalent,SING,C1,H11,,,,,26303,bmse010027,1
13,covalent,SING,C2,H13,,,,,26303,bmse010027,1
14,covalent,SING,C3,H14,,,,,26303,bmse010027,1
15,covalent,SING,C4,H15,,,,,26303,bmse010027,1
16,covalent,SING,C5,H16,,,,,26303,bmse010027,1
17,covalent,SING,O8,H17,,,,,26303,bmse010027,1
1,covalent,SING,C1,C3,,,,,26323,bmse010028,1
2,covalent,DOUB,C1,C6,,,,,26323,bmse010028,1
3,covalent,DOUB,C2,C4,,,,,26323,bmse010028,1
4,covalent,SING,C2,C6,,,,,26323,bmse010028,1
5,covalent,DOUB,C3,C7,,,,,26323,bmse010028,1
6,covalent,SING,C4,C7,,,,,26323,bmse010028,1
7,covalent,SING,C5,C6,,,,,26323,bmse010028,1
8,covalent,SING,C5,O8,,,,,26323,bmse010028,1
9,covalent,SING,C7,O9,,,,,26323,bmse010028,1
10,covalent,SING,C1,H10,,,,,26323,bmse010028,1
11,covalent,SING,C2,H11,,,,,26323,bmse010028,1
12,covalent,SING,C3,H12,,,,,26323,bmse010028,1
13,covalent,SING,C4,H13,,,,,26323,bmse010028,1
14,covalent,SING,C5,H14,,,,,26323,bmse010028,1
15,covalent,SING,C5,H15,,,,,26323,bmse010028,1
16,covalent,SING,O8,H16,,,,,26323,bmse010028,1
17,covalent,SING,O9,H17,,,,,26323,bmse010028,1
1,covalent,SING,C1,O11,,,,,26343,bmse010029,1
2,covalent,SING,C2,O12,,,,,26343,bmse010029,1
3,covalent,DOUB,C3,C4,,,,,26343,bmse010029,1
4,covalent,SING,C3,C7,,,,,26343,bmse010029,1
5,covalent,SING,C4,C8,,,,,26343,bmse010029,1
6,covalent,DOUB,C5,C7,,,,,26343,bmse010029,1
7,covalent,SING,C5,C9,,,,,26343,bmse010029,1
8,covalent,SING,C6,C7,,,,,26343,bmse010029,1
9,covalent,SING,C6,O10,,,,,26343,bmse010029,1
10,covalent,DOUB,C8,C9,,,,,26343,bmse010029,1
11,covalent,SING,C8,O11,,,,,26343,bmse010029,1
12,covalent,SING,C9,O12,,,,,26343,bmse010029,1
13,covalent,SING,C1,H13,,,,,26343,bmse010029,1
14,covalent,SING,C1,H15,,,,,26343,bmse010029,1
15,covalent,SING,C1,H14,,,,,26343,bmse010029,1
16,covalent,SING,C2,H16,,,,,26343,bmse010029,1
17,covalent,SING,C2,H17,,,,,26343,bmse010029,1
18,covalent,SING,C2,H18,,,,,26343,bmse010029,1
19,covalent,SING,C3,H19,,,,,26343,bmse010029,1
20,covalent,SING,C4,H20,,,,,26343,bmse010029,1
21,covalent,SING,C5,H21,,,,,26343,bmse010029,1
22,covalent,SING,C6,H22,,,,,26343,bmse010029,1
23,covalent,SING,C6,H23,,,,,26343,bmse010029,1
24,covalent,SING,O10,H24,,,,,26343,bmse010029,1
1,covalent,SING,C1,C6,,,,,26363,bmse010030,1
2,covalent,SING,C2,C4,,,,,26363,bmse010030,1
3,covalent,DOUB,C2,C7,,,,,26363,bmse010030,1
4,covalent,DOUB,C3,C5,,,,,26363,bmse010030,1
5,covalent,SING,C3,C7,,,,,26363,bmse010030,1
6,covalent,DOUB,C4,C8,,,,,26363,bmse010030,1
7,covalent,SING,C5,C8,,,,,26363,bmse010030,1
8,covalent,SING,C6,C7,,,,,26363,bmse010030,1
9,covalent,DOUB,C6,O9,,,,,26363,bmse010030,1
10,covalent,SING,C8,O10,,,,,26363,bmse010030,1
11,covalent,SING,C1,H13,,,,,26363,bmse010030,1
12,covalent,SING,C1,H12,,,,,26363,bmse010030,1
13,covalent,SING,C1,H11,,,,,26363,bmse010030,1
14,covalent,SING,C2,H14,,,,,26363,bmse010030,1
15,covalent,SING,C3,H15,,,,,26363,bmse010030,1
16,covalent,SING,C4,H16,,,,,26363,bmse010030,1
17,covalent,SING,C5,H17,,,,,26363,bmse010030,1
18,covalent,SING,O10,H18,,,,,26363,bmse010030,1
1,covalent,SING,C1,C6,,,,,26383,bmse010031,1
2,covalent,SING,C2,O12,,,,,26383,bmse010031,1
3,covalent,DOUB,C3,C4,,,,,26383,bmse010031,1
4,covalent,SING,C3,C7,,,,,26383,bmse010031,1
5,covalent,SING,C4,C8,,,,,26383,bmse010031,1
6,covalent,DOUB,C5,C7,,,,,26383,bmse010031,1
7,covalent,SING,C5,C9,,,,,26383,bmse010031,1
8,covalent,SING,C6,C7,,,,,26383,bmse010031,1
9,covalent,DOUB,C6,O10,,,,,26383,bmse010031,1
10,covalent,DOUB,C8,C9,,,,,26383,bmse010031,1
11,covalent,SING,C8,O11,,,,,26383,bmse010031,1
12,covalent,SING,C9,O12,,,,,26383,bmse010031,1
13,covalent,SING,C1,H13,,,,,26383,bmse010031,1
14,covalent,SING,C1,H14,,,,,26383,bmse010031,1
15,covalent,SING,C1,H15,,,,,26383,bmse010031,1
16,covalent,SING,C2,H16,,,,,26383,bmse010031,1
17,covalent,SING,C2,H17,,,,,26383,bmse010031,1
18,covalent,SING,C2,H18,,,,,26383,bmse010031,1
19,covalent,SING,C3,H19,,,,,26383,bmse010031,1
20,covalent,SING,C4,H20,,,,,26383,bmse010031,1
21,covalent,SING,C5,H21,,,,,26383,bmse010031,1
22,covalent,SING,O11,H22,,,,,26383,bmse010031,1
1,covalent,SING,C1,C6,,,,,26403,bmse010032,1
2,covalent,SING,C2,O13,,,,,26403,bmse010032,1
3,covalent,SING,C3,O14,,,,,26403,bmse010032,1
4,covalent,DOUB,C4,C7,,,,,26403,bmse010032,1
5,covalent,SING,C4,C8,,,,,26403,bmse010032,1
6,covalent,SING,C5,C7,,,,,26403,bmse010032,1
7,covalent,DOUB,C5,C9,,,,,26403,bmse010032,1
8,covalent,SING,C6,C7,,,,,26403,bmse010032,1
9,covalent,DOUB,C6,O11,,,,,26403,bmse010032,1
10,covalent,DOUB,C8,C10,,,,,26403,bmse010032,1
11,covalent,SING,C8,O13,,,,,26403,bmse010032,1
12,covalent,SING,C9,C10,,,,,26403,bmse010032,1
13,covalent,SING,C9,O14,,,,,26403,bmse010032,1
14,covalent,SING,C10,O12,,,,,26403,bmse010032,1
15,covalent,SING,C1,H17,,,,,26403,bmse010032,1
16,covalent,SING,C1,H16,,,,,26403,bmse010032,1
17,covalent,SING,C1,H15,,,,,26403,bmse010032,1
18,covalent,SING,C2,H20,,,,,26403,bmse010032,1
19,covalent,SING,C2,H19,,,,,26403,bmse010032,1
20,covalent,SING,C2,H18,,,,,26403,bmse010032,1
21,covalent,SING,C3,H21,,,,,26403,bmse010032,1
22,covalent,SING,C3,H23,,,,,26403,bmse010032,1
23,covalent,SING,C3,H22,,,,,26403,bmse010032,1
24,covalent,SING,C4,H24,,,,,26403,bmse010032,1
25,covalent,SING,C5,H25,,,,,26403,bmse010032,1
26,covalent,SING,O12,H26,,,,,26403,bmse010032,1
1,covalent,SING,C1,C7,,,,,26423,bmse010033,1
2,covalent,SING,C2,O12,,,,,26423,bmse010033,1
3,covalent,SING,C3,O13,,,,,26423,bmse010033,1
4,covalent,DOUB,C4,C5,,,,,26423,bmse010033,1
5,covalent,SING,C4,C8,,,,,26423,bmse010033,1
6,covalent,SING,C5,C9,,,,,26423,bmse010033,1
7,covalent,DOUB,C6,C8,,,,,26423,bmse010033,1
8,covalent,SING,C6,C10,,,,,26423,bmse010033,1
9,covalent,SING,C7,C8,,,,,26423,bmse010033,1
10,covalent,DOUB,C7,O11,,,,,26423,bmse010033,1
11,covalent,DOUB,C9,C10,,,,,26423,bmse010033,1
12,covalent,SING,C9,O12,,,,,26423,bmse010033,1
13,covalent,SING,C10,O13,,,,,26423,bmse010033,1
14,covalent,SING,C1,H14,,,,,26423,bmse010033,1
15,covalent,SING,C1,H15,,,,,26423,bmse010033,1
16,covalent,SING,C1,H16,,,,,26423,bmse010033,1
17,covalent,SING,C2,H17,,,,,26423,bmse010033,1
18,covalent,SING,C2,H19,,,,,26423,bmse010033,1
19,covalent,SING,C2,H18,,,,,26423,bmse010033,1
20,covalent,SING,C3,H20,,,,,26423,bmse010033,1
21,covalent,SING,C3,H21,,,,,26423,bmse010033,1
22,covalent,SING,C3,H22,,,,,26423,bmse010033,1
23,covalent,SING,C4,H23,,,,,26423,bmse010033,1
24,covalent,SING,C5,H24,,,,,26423,bmse010033,1
25,covalent,SING,C6,H25,,,,,26423,bmse010033,1
1,covalent,SING,C1,O31,,,,,26443,bmse010034,1
2,covalent,SING,C2,O32,,,,,26443,bmse010034,1
3,covalent,DOUB,C3,C4,,,,,26443,bmse010034,1
4,covalent,SING,C3,C5,,,,,26443,bmse010034,1
5,covalent,SING,C4,C6,,,,,26443,bmse010034,1
6,covalent,DOUB,C5,C21,,,,,26443,bmse010034,1
7,covalent,DOUB,C6,C22,,,,,26443,bmse010034,1
8,covalent,SING,C7,C11,,,,,26443,bmse010034,1
9,covalent,DOUB,C7,C17,,,,,26443,bmse010034,1
10,covalent,DOUB,C8,C12,,,,,26443,bmse010034,1
11,covalent,SING,C8,C17,,,,,26443,bmse010034,1
12,covalent,DOUB,C9,C14,,,,,26443,bmse010034,1
13,covalent,SING,C9,C17,,,,,26443,bmse010034,1
14,covalent,DOUB,C10,C13,,,,,26443,bmse010034,1
15,covalent,SING,C10,C18,,,,,26443,bmse010034,1
16,covalent,DOUB,C11,C19,,,,,26443,bmse010034,1
17,covalent,SING,C12,C19,,,,,26443,bmse010034,1
18,covalent,SING,C13,C20,,,,,26443,bmse010034,1
19,covalent,SING,C14,C25,,,,,26443,bmse010034,1
20,covalent,DOUB,C15,C18,,,,,26443,bmse010034,1
21,covalent,SING,C15,C23,,,,,26443,bmse010034,1
22,covalent,SING,C16,C24,,,,,26443,bmse010034,1
23,covalent,SING,C16,O27,,,,,26443,bmse010034,1
24,covalent,SING,C18,C26,,,,,26443,bmse010034,1
25,covalent,SING,C19,O28,,,,,26443,bmse010034,1
26,covalent,DOUB,C20,C23,,,,,26443,bmse010034,1
27,covalent,SING,C20,O29,,,,,26443,bmse010034,1
28,covalent,SING,C21,C22,,,,,26443,bmse010034,1
29,covalent,SING,C21,O31,,,,,26443,bmse010034,1
30,covalent,SING,C22,O33,,,,,26443,bmse010034,1
31,covalent,SING,C23,O32,,,,,26443,bmse010034,1
32,covalent,SING,C24,C26,,,,,26443,bmse010034,1
33,covalent,SING,C24,O33,,,,,26443,bmse010034,1
34,covalent,DOUB,C25,O30,,,,,26443,bmse010034,1
35,covalent,SING,C25,O34,,,,,26443,bmse010034,1
36,covalent,SING,C26,O34,,,,,26443,bmse010034,1
37,covalent,SING,C1,H35,,,,,26443,bmse010034,1
38,covalent,SING,C1,H36,,,,,26443,bmse010034,1
39,covalent,SING,C1,H37,,,,,26443,bmse010034,1
40,covalent,SING,C2,H38,,,,,26443,bmse010034,1
41,covalent,SING,C2,H39,,,,,26443,bmse010034,1
42,covalent,SING,C2,H40,,,,,26443,bmse010034,1
43,covalent,SING,C3,H41,,,,,26443,bmse010034,1
44,covalent,SING,C4,H42,,,,,26443,bmse010034,1
45,covalent,SING,C5,H43,,,,,26443,bmse010034,1
46,covalent,SING,C6,H44,,,,,26443,bmse010034,1
47,covalent,SING,C7,H45,,,,,26443,bmse010034,1
48,covalent,SING,C8,H46,,,,,26443,bmse010034,1
49,covalent,SING,C9,H47,,,,,26443,bmse010034,1
50,covalent,SING,C10,H48,,,,,26443,bmse010034,1
51,covalent,SING,C11,H49,,,,,26443,bmse010034,1
52,covalent,SING,C12,H50,,,,,26443,bmse010034,1
53,covalent,SING,C13,H51,,,,,26443,bmse010034,1
54,covalent,SING,C14,H52,,,,,26443,bmse010034,1
55,covalent,SING,C15,H53,,,,,26443,bmse010034,1
56,covalent,SING,C16,H54,,,,,26443,bmse010034,1
57,covalent,SING,C16,H55,,,,,26443,bmse010034,1
58,covalent,SING,C24,H56,,,,,26443,bmse010034,1
59,covalent,SING,C26,H57,,,,,26443,bmse010034,1
60,covalent,SING,O27,H58,,,,,26443,bmse010034,1
61,covalent,SING,O28,H59,,,,,26443,bmse010034,1
62,covalent,SING,O29,H60,,,,,26443,bmse010034,1
1,covalent,SING,C1,O31,,,,,26457,bmse010035,1
2,covalent,SING,C2,O32,,,,,26457,bmse010035,1
3,covalent,DOUB,C3,C4,,,,,26457,bmse010035,1
4,covalent,SING,C3,C5,,,,,26457,bmse010035,1
5,covalent,SING,C4,C6,,,,,26457,bmse010035,1
6,covalent,DOUB,C5,C21,,,,,26457,bmse010035,1
7,covalent,DOUB,C6,C22,,,,,26457,bmse010035,1
8,covalent,SING,C7,C11,,,,,26457,bmse010035,1
9,covalent,DOUB,C7,C17,,,,,26457,bmse010035,1
10,covalent,DOUB,C8,C12,,,,,26457,bmse010035,1
11,covalent,SING,C8,C17,,,,,26457,bmse010035,1
12,covalent,DOUB,C9,C14,,,,,26457,bmse010035,1
13,covalent,SING,C9,C17,,,,,26457,bmse010035,1
14,covalent,DOUB,C10,C13,,,,,26457,bmse010035,1
15,covalent,SING,C10,C18,,,,,26457,bmse010035,1
16,covalent,DOUB,C11,C19,,,,,26457,bmse010035,1
17,covalent,SING,C12,C19,,,,,26457,bmse010035,1
18,covalent,SING,C13,C20,,,,,26457,bmse010035,1
19,covalent,SING,C14,C25,,,,,26457,bmse010035,1
20,covalent,DOUB,C15,C18,,,,,26457,bmse010035,1
21,covalent,SING,C15,C23,,,,,26457,bmse010035,1
22,covalent,SING,C16,C24,,,,,26457,bmse010035,1
23,covalent,SING,C16,O27,,,,,26457,bmse010035,1
24,covalent,SING,C18,C26,,,,,26457,bmse010035,1
25,covalent,SING,C19,O28,,,,,26457,bmse010035,1
26,covalent,DOUB,C20,C23,,,,,26457,bmse010035,1
27,covalent,SING,C20,O29,,,,,26457,bmse010035,1
28,covalent,SING,C21,C22,,,,,26457,bmse010035,1
29,covalent,SING,C21,O31,,,,,26457,bmse010035,1
30,covalent,SING,C22,O33,,,,,26457,bmse010035,1
31,covalent,SING,C23,O32,,,,,26457,bmse010035,1
32,covalent,SING,C24,C26,,,,,26457,bmse010035,1
33,covalent,SING,C24,O33,,,,,26457,bmse010035,1
34,covalent,DOUB,C25,O30,,,,,26457,bmse010035,1
35,covalent,SING,C25,O34,,,,,26457,bmse010035,1
36,covalent,SING,C26,O34,,,,,26457,bmse010035,1
37,covalent,SING,C1,H35,,,,,26457,bmse010035,1
38,covalent,SING,C1,H36,,,,,26457,bmse010035,1
39,covalent,SING,C1,H37,,,,,26457,bmse010035,1
40,covalent,SING,C2,H38,,,,,26457,bmse010035,1
41,covalent,SING,C2,H39,,,,,26457,bmse010035,1
42,covalent,SING,C2,H40,,,,,26457,bmse010035,1
43,covalent,SING,C3,H41,,,,,26457,bmse010035,1
44,covalent,SING,C4,H42,,,,,26457,bmse010035,1
45,covalent,SING,C5,H43,,,,,26457,bmse010035,1
46,covalent,SING,C6,H44,,,,,26457,bmse010035,1
47,covalent,SING,C7,H45,,,,,26457,bmse010035,1
48,covalent,SING,C8,H46,,,,,26457,bmse010035,1
49,covalent,SING,C9,H47,,,,,26457,bmse010035,1
50,covalent,SING,C10,H48,,,,,26457,bmse010035,1
51,covalent,SING,C11,H49,,,,,26457,bmse010035,1
52,covalent,SING,C12,H50,,,,,26457,bmse010035,1
53,covalent,SING,C13,H51,,,,,26457,bmse010035,1
54,covalent,SING,C14,H52,,,,,26457,bmse010035,1
55,covalent,SING,C15,H53,,,,,26457,bmse010035,1
56,covalent,SING,C16,H54,,,,,26457,bmse010035,1
57,covalent,SING,C16,H55,,,,,26457,bmse010035,1
58,covalent,SING,C24,H56,,,,,26457,bmse010035,1
59,covalent,SING,C26,H57,,,,,26457,bmse010035,1
60,covalent,SING,O27,H58,,,,,26457,bmse010035,1
61,covalent,SING,O28,H59,,,,,26457,bmse010035,1
62,covalent,SING,O29,H60,,,,,26457,bmse010035,1
1,covalent,SING,C1,O32,,,,,26471,bmse010036,1
2,covalent,SING,C2,O33,,,,,26471,bmse010036,1
3,covalent,SING,C3,O34,,,,,26471,bmse010036,1
4,covalent,DOUB,C4,C5,,,,,26471,bmse010036,1
5,covalent,SING,C4,C6,,,,,26471,bmse010036,1
6,covalent,SING,C5,C7,,,,,26471,bmse010036,1
7,covalent,DOUB,C6,C21,,,,,26471,bmse010036,1
8,covalent,DOUB,C7,C22,,,,,26471,bmse010036,1
9,covalent,DOUB,C8,C11,,,,,26471,bmse010036,1
10,covalent,SING,C8,C17,,,,,26471,bmse010036,1
11,covalent,DOUB,C9,C13,,,,,26471,bmse010036,1
12,covalent,SING,C9,C17,,,,,26471,bmse010036,1
13,covalent,DOUB,C10,C12,,,,,26471,bmse010036,1
14,covalent,SING,C10,C18,,,,,26471,bmse010036,1
15,covalent,SING,C11,C19,,,,,26471,bmse010036,1
16,covalent,SING,C12,C20,,,,,26471,bmse010036,1
17,covalent,SING,C13,C26,,,,,26471,bmse010036,1
18,covalent,DOUB,C14,C17,,,,,26471,bmse010036,1
19,covalent,SING,C14,C23,,,,,26471,bmse010036,1
20,covalent,DOUB,C15,C18,,,,,26471,bmse010036,1
21,covalent,SING,C15,C24,,,,,26471,bmse010036,1
22,covalent,SING,C16,C25,,,,,26471,bmse010036,1
23,covalent,SING,C16,O28,,,,,26471,bmse010036,1
24,covalent,SING,C18,C27,,,,,26471,bmse010036,1
25,covalent,DOUB,C19,C23,,,,,26471,bmse010036,1
26,covalent,SING,C19,O29,,,,,26471,bmse010036,1
27,covalent,DOUB,C20,C24,,,,,26471,bmse010036,1
28,covalent,SING,C20,O30,,,,,26471,bmse010036,1
29,covalent,SING,C21,C22,,,,,26471,bmse010036,1
30,covalent,SING,C21,O32,,,,,26471,bmse010036,1
31,covalent,SING,C22,O35,,,,,26471,bmse010036,1
32,covalent,SING,C23,O33,,,,,26471,bmse010036,1
33,covalent,SING,C24,O34,,,,,26471,bmse010036,1
34,covalent,SING,C25,C27,,,,,26471,bmse010036,1
35,covalent,SING,C25,O35,,,,,26471,bmse010036,1
36,covalent,DOUB,C26,O31,,,,,26471,bmse010036,1
37,covalent,SING,C26,O36,,,,,26471,bmse010036,1
38,covalent,SING,C27,O36,,,,,26471,bmse010036,1
39,covalent,SING,C1,H38,,,,,26471,bmse010036,1
40,covalent,SING,C1,H37,,,,,26471,bmse010036,1
41,covalent,SING,C1,H39,,,,,26471,bmse010036,1
42,covalent,SING,C2,H42,,,,,26471,bmse010036,1
43,covalent,SING,C2,H40,,,,,26471,bmse010036,1
44,covalent,SING,C2,H41,,,,,26471,bmse010036,1
45,covalent,SING,C3,H43,,,,,26471,bmse010036,1
46,covalent,SING,C3,H44,,,,,26471,bmse010036,1
47,covalent,SING,C3,H45,,,,,26471,bmse010036,1
48,covalent,SING,C4,H46,,,,,26471,bmse010036,1
49,covalent,SING,C5,H47,,,,,26471,bmse010036,1
50,covalent,SING,C6,H48,,,,,26471,bmse010036,1
51,covalent,SING,C7,H49,,,,,26471,bmse010036,1
52,covalent,SING,C8,H50,,,,,26471,bmse010036,1
53,covalent,SING,C9,H51,,,,,26471,bmse010036,1
54,covalent,SING,C10,H52,,,,,26471,bmse010036,1
55,covalent,SING,C11,H53,,,,,26471,bmse010036,1
56,covalent,SING,C12,H54,,,,,26471,bmse010036,1
57,covalent,SING,C13,H55,,,,,26471,bmse010036,1
58,covalent,SING,C14,H56,,,,,26471,bmse010036,1
59,covalent,SING,C15,H57,,,,,26471,bmse010036,1
60,covalent,SING,C16,H58,,,,,26471,bmse010036,1
61,covalent,SING,C16,H59,,,,,26471,bmse010036,1
62,covalent,SING,C25,H60,,,,,26471,bmse010036,1
63,covalent,SING,C27,H61,,,,,26471,bmse010036,1
64,covalent,SING,O28,H62,,,,,26471,bmse010036,1
65,covalent,SING,O29,H63,,,,,26471,bmse010036,1
66,covalent,SING,O30,H64,,,,,26471,bmse010036,1
1,covalent,SING,C1,O32,,,,,26485,bmse010037,1
2,covalent,SING,C2,O33,,,,,26485,bmse010037,1
3,covalent,SING,C3,O34,,,,,26485,bmse010037,1
4,covalent,DOUB,C4,C5,,,,,26485,bmse010037,1
5,covalent,SING,C4,C6,,,,,26485,bmse010037,1
6,covalent,SING,C5,C7,,,,,26485,bmse010037,1
7,covalent,DOUB,C6,C21,,,,,26485,bmse010037,1
8,covalent,DOUB,C7,C22,,,,,26485,bmse010037,1
9,covalent,DOUB,C8,C11,,,,,26485,bmse010037,1
10,covalent,SING,C8,C17,,,,,26485,bmse010037,1
11,covalent,DOUB,C9,C13,,,,,26485,bmse010037,1
12,covalent,SING,C9,C17,,,,,26485,bmse010037,1
13,covalent,DOUB,C10,C12,,,,,26485,bmse010037,1
14,covalent,SING,C10,C18,,,,,26485,bmse010037,1
15,covalent,SING,C11,C19,,,,,26485,bmse010037,1
16,covalent,SING,C12,C20,,,,,26485,bmse010037,1
17,covalent,SING,C13,C26,,,,,26485,bmse010037,1
18,covalent,DOUB,C14,C17,,,,,26485,bmse010037,1
19,covalent,SING,C14,C23,,,,,26485,bmse010037,1
20,covalent,DOUB,C15,C18,,,,,26485,bmse010037,1
21,covalent,SING,C15,C24,,,,,26485,bmse010037,1
22,covalent,SING,C16,C25,,,,,26485,bmse010037,1
23,covalent,SING,C16,O28,,,,,26485,bmse010037,1
24,covalent,SING,C18,C27,,,,,26485,bmse010037,1
25,covalent,DOUB,C19,C23,,,,,26485,bmse010037,1
26,covalent,SING,C19,O29,,,,,26485,bmse010037,1
27,covalent,DOUB,C20,C24,,,,,26485,bmse010037,1
28,covalent,SING,C20,O30,,,,,26485,bmse010037,1
29,covalent,SING,C21,C22,,,,,26485,bmse010037,1
30,covalent,SING,C21,O32,,,,,26485,bmse010037,1
31,covalent,SING,C22,O35,,,,,26485,bmse010037,1
32,covalent,SING,C23,O33,,,,,26485,bmse010037,1
33,covalent,SING,C24,O34,,,,,26485,bmse010037,1
34,covalent,SING,C25,C27,,,,,26485,bmse010037,1
35,covalent,SING,C25,O35,,,,,26485,bmse010037,1
36,covalent,DOUB,C26,O31,,,,,26485,bmse010037,1
37,covalent,SING,C26,O36,,,,,26485,bmse010037,1
38,covalent,SING,C27,O36,,,,,26485,bmse010037,1
39,covalent,SING,C1,H38,,,,,26485,bmse010037,1
40,covalent,SING,C1,H37,,,,,26485,bmse010037,1
41,covalent,SING,C1,H39,,,,,26485,bmse010037,1
42,covalent,SING,C2,H42,,,,,26485,bmse010037,1
43,covalent,SING,C2,H40,,,,,26485,bmse010037,1
44,covalent,SING,C2,H41,,,,,26485,bmse010037,1
45,covalent,SING,C3,H43,,,,,26485,bmse010037,1
46,covalent,SING,C3,H44,,,,,26485,bmse010037,1
47,covalent,SING,C3,H45,,,,,26485,bmse010037,1
48,covalent,SING,C4,H46,,,,,26485,bmse010037,1
49,covalent,SING,C5,H47,,,,,26485,bmse010037,1
50,covalent,SING,C6,H48,,,,,26485,bmse010037,1
51,covalent,SING,C7,H49,,,,,26485,bmse010037,1
52,covalent,SING,C8,H50,,,,,26485,bmse010037,1
53,covalent,SING,C9,H51,,,,,26485,bmse010037,1
54,covalent,SING,C10,H52,,,,,26485,bmse010037,1
55,covalent,SING,C11,H53,,,,,26485,bmse010037,1
56,covalent,SING,C12,H54,,,,,26485,bmse010037,1
57,covalent,SING,C13,H55,,,,,26485,bmse010037,1
58,covalent,SING,C14,H56,,,,,26485,bmse010037,1
59,covalent,SING,C15,H57,,,,,26485,bmse010037,1
60,covalent,SING,C16,H58,,,,,26485,bmse010037,1
61,covalent,SING,C16,H59,,,,,26485,bmse010037,1
62,covalent,SING,C25,H60,,,,,26485,bmse010037,1
63,covalent,SING,C27,H61,,,,,26485,bmse010037,1
64,covalent,SING,O28,H62,,,,,26485,bmse010037,1
65,covalent,SING,O29,H63,,,,,26485,bmse010037,1
66,covalent,SING,O30,H64,,,,,26485,bmse010037,1
1,covalent,SING,C1,C20,,,,,26502,bmse010038,1
2,covalent,SING,C2,C21,,,,,26502,bmse010038,1
3,covalent,SING,C3,C22,,,,,26502,bmse010038,1
4,covalent,SING,C4,O37,,,,,26502,bmse010038,1
5,covalent,SING,C5,O38,,,,,26502,bmse010038,1
6,covalent,DOUB,C6,C7,,,,,26502,bmse010038,1
7,covalent,SING,C6,C8,,,,,26502,bmse010038,1
8,covalent,SING,C7,C9,,,,,26502,bmse010038,1
9,covalent,DOUB,C8,C26,,,,,26502,bmse010038,1
10,covalent,DOUB,C9,C27,,,,,26502,bmse010038,1
11,covalent,SING,C10,C14,,,,,26502,bmse010038,1
12,covalent,DOUB,C10,C23,,,,,26502,bmse010038,1
13,covalent,DOUB,C11,C15,,,,,26502,bmse010038,1
14,covalent,SING,C11,C23,,,,,26502,bmse010038,1
15,covalent,DOUB,C12,C17,,,,,26502,bmse010038,1
16,covalent,SING,C12,C23,,,,,26502,bmse010038,1
17,covalent,DOUB,C13,C16,,,,,26502,bmse010038,1
18,covalent,SING,C13,C24,,,,,26502,bmse010038,1
19,covalent,DOUB,C14,C25,,,,,26502,bmse010038,1
20,covalent,SING,C15,C25,,,,,26502,bmse010038,1
21,covalent,SING,C16,C28,,,,,26502,bmse010038,1
22,covalent,SING,C17,C31,,,,,26502,bmse010038,1
23,covalent,DOUB,C18,C24,,,,,26502,bmse010038,1
24,covalent,SING,C18,C29,,,,,26502,bmse010038,1
25,covalent,SING,C19,C30,,,,,26502,bmse010038,1
26,covalent,SING,C19,O39,,,,,26502,bmse010038,1
27,covalent,DOUB,C20,O33,,,,,26502,bmse010038,1
28,covalent,SING,C20,O39,,,,,26502,bmse010038,1
29,covalent,DOUB,C21,O34,,,,,26502,bmse010038,1
30,covalent,SING,C21,O40,,,,,26502,bmse010038,1
31,covalent,DOUB,C22,O35,,,,,26502,bmse010038,1
32,covalent,SING,C22,O41,,,,,26502,bmse010038,1
33,covalent,SING,C24,C32,,,,,26502,bmse010038,1
34,covalent,SING,C25,O40,,,,,26502,bmse010038,1
35,covalent,SING,C26,C27,,,,,26502,bmse010038,1
36,covalent,SING,C26,O37,,,,,26502,bmse010038,1
37,covalent,SING,C27,O42,,,,,26502,bmse010038,1
38,covalent,DOUB,C28,C29,,,,,26502,bmse010038,1
39,covalent,SING,C28,O41,,,,,26502,bmse010038,1
40,covalent,SING,C29,O38,,,,,26502,bmse010038,1
41,covalent,SING,C30,C32,,,,,26502,bmse010038,1
42,covalent,SING,C30,O42,,,,,26502,bmse010038,1
43,covalent,DOUB,C31,O36,,,,,26502,bmse010038,1
44,covalent,SING,C31,O43,,,,,26502,bmse010038,1
45,covalent,SING,C32,O43,,,,,26502,bmse010038,1
46,covalent,SING,C1,H44,,,,,26502,bmse010038,1
47,covalent,SING,C1,H45,,,,,26502,bmse010038,1
48,covalent,SING,C1,H46,,,,,26502,bmse010038,1
49,covalent,SING,C2,H49,,,,,26502,bmse010038,1
50,covalent,SING,C2,H48,,,,,26502,bmse010038,1
51,covalent,SING,C2,H47,,,,,26502,bmse010038,1
52,covalent,SING,C3,H51,,,,,26502,bmse010038,1
53,covalent,SING,C3,H52,,,,,26502,bmse010038,1
54,covalent,SING,C3,H50,,,,,26502,bmse010038,1
55,covalent,SING,C4,H54,,,,,26502,bmse010038,1
56,covalent,SING,C4,H53,,,,,26502,bmse010038,1
57,covalent,SING,C4,H55,,,,,26502,bmse010038,1
58,covalent,SING,C5,H56,,,,,26502,bmse010038,1
59,covalent,SING,C5,H57,,,,,26502,bmse010038,1
60,covalent,SING,C5,H58,,,,,26502,bmse010038,1
61,covalent,SING,C6,H59,,,,,26502,bmse010038,1
62,covalent,SING,C7,H60,,,,,26502,bmse010038,1
63,covalent,SING,C8,H61,,,,,26502,bmse010038,1
64,covalent,SING,C9,H62,,,,,26502,bmse010038,1
65,covalent,SING,C10,H63,,,,,26502,bmse010038,1
66,covalent,SING,C11,H64,,,,,26502,bmse010038,1
67,covalent,SING,C12,H65,,,,,26502,bmse010038,1
68,covalent,SING,C13,H66,,,,,26502,bmse010038,1
69,covalent,SING,C14,H67,,,,,26502,bmse010038,1
70,covalent,SING,C15,H68,,,,,26502,bmse010038,1
71,covalent,SING,C16,H69,,,,,26502,bmse010038,1
72,covalent,SING,C17,H70,,,,,26502,bmse010038,1
73,covalent,SING,C18,H71,,,,,26502,bmse010038,1
74,covalent,SING,C19,H72,,,,,26502,bmse010038,1
75,covalent,SING,C19,H73,,,,,26502,bmse010038,1
76,covalent,SING,C30,H74,,,,,26502,bmse010038,1
77,covalent,SING,C32,H75,,,,,26502,bmse010038,1
1,covalent,SING,C1,C20,,,,,26516,bmse010039,1
2,covalent,SING,C2,C21,,,,,26516,bmse010039,1
3,covalent,SING,C3,C22,,,,,26516,bmse010039,1
4,covalent,SING,C4,O37,,,,,26516,bmse010039,1
5,covalent,SING,C5,O38,,,,,26516,bmse010039,1
6,covalent,DOUB,C6,C7,,,,,26516,bmse010039,1
7,covalent,SING,C6,C8,,,,,26516,bmse010039,1
8,covalent,SING,C7,C9,,,,,26516,bmse010039,1
9,covalent,DOUB,C8,C26,,,,,26516,bmse010039,1
10,covalent,DOUB,C9,C27,,,,,26516,bmse010039,1
11,covalent,SING,C10,C14,,,,,26516,bmse010039,1
12,covalent,DOUB,C10,C23,,,,,26516,bmse010039,1
13,covalent,DOUB,C11,C15,,,,,26516,bmse010039,1
14,covalent,SING,C11,C23,,,,,26516,bmse010039,1
15,covalent,DOUB,C12,C17,,,,,26516,bmse010039,1
16,covalent,SING,C12,C23,,,,,26516,bmse010039,1
17,covalent,DOUB,C13,C16,,,,,26516,bmse010039,1
18,covalent,SING,C13,C24,,,,,26516,bmse010039,1
19,covalent,DOUB,C14,C25,,,,,26516,bmse010039,1
20,covalent,SING,C15,C25,,,,,26516,bmse010039,1
21,covalent,SING,C16,C28,,,,,26516,bmse010039,1
22,covalent,SING,C17,C31,,,,,26516,bmse010039,1
23,covalent,DOUB,C18,C24,,,,,26516,bmse010039,1
24,covalent,SING,C18,C29,,,,,26516,bmse010039,1
25,covalent,SING,C19,C30,,,,,26516,bmse010039,1
26,covalent,SING,C19,O39,,,,,26516,bmse010039,1
27,covalent,DOUB,C20,O33,,,,,26516,bmse010039,1
28,covalent,SING,C20,O39,,,,,26516,bmse010039,1
29,covalent,DOUB,C21,O34,,,,,26516,bmse010039,1
30,covalent,SING,C21,O40,,,,,26516,bmse010039,1
31,covalent,DOUB,C22,O35,,,,,26516,bmse010039,1
32,covalent,SING,C22,O41,,,,,26516,bmse010039,1
33,covalent,SING,C24,C32,,,,,26516,bmse010039,1
34,covalent,SING,C25,O40,,,,,26516,bmse010039,1
35,covalent,SING,C26,C27,,,,,26516,bmse010039,1
36,covalent,SING,C26,O37,,,,,26516,bmse010039,1
37,covalent,SING,C27,O42,,,,,26516,bmse010039,1
38,covalent,DOUB,C28,C29,,,,,26516,bmse010039,1
39,covalent,SING,C28,O41,,,,,26516,bmse010039,1
40,covalent,SING,C29,O38,,,,,26516,bmse010039,1
41,covalent,SING,C30,C32,,,,,26516,bmse010039,1
42,covalent,SING,C30,O42,,,,,26516,bmse010039,1
43,covalent,DOUB,C31,O36,,,,,26516,bmse010039,1
44,covalent,SING,C31,O43,,,,,26516,bmse010039,1
45,covalent,SING,C32,O43,,,,,26516,bmse010039,1
46,covalent,SING,C1,H44,,,,,26516,bmse010039,1
47,covalent,SING,C1,H45,,,,,26516,bmse010039,1
48,covalent,SING,C1,H46,,,,,26516,bmse010039,1
49,covalent,SING,C2,H49,,,,,26516,bmse010039,1
50,covalent,SING,C2,H48,,,,,26516,bmse010039,1
51,covalent,SING,C2,H47,,,,,26516,bmse010039,1
52,covalent,SING,C3,H51,,,,,26516,bmse010039,1
53,covalent,SING,C3,H52,,,,,26516,bmse010039,1
54,covalent,SING,C3,H50,,,,,26516,bmse010039,1
55,covalent,SING,C4,H54,,,,,26516,bmse010039,1
56,covalent,SING,C4,H53,,,,,26516,bmse010039,1
57,covalent,SING,C4,H55,,,,,26516,bmse010039,1
58,covalent,SING,C5,H56,,,,,26516,bmse010039,1
59,covalent,SING,C5,H57,,,,,26516,bmse010039,1
60,covalent,SING,C5,H58,,,,,26516,bmse010039,1
61,covalent,SING,C6,H59,,,,,26516,bmse010039,1
62,covalent,SING,C7,H60,,,,,26516,bmse010039,1
63,covalent,SING,C8,H61,,,,,26516,bmse010039,1
64,covalent,SING,C9,H62,,,,,26516,bmse010039,1
65,covalent,SING,C10,H63,,,,,26516,bmse010039,1
66,covalent,SING,C11,H64,,,,,26516,bmse010039,1
67,covalent,SING,C12,H65,,,,,26516,bmse010039,1
68,covalent,SING,C13,H66,,,,,26516,bmse010039,1
69,covalent,SING,C14,H67,,,,,26516,bmse010039,1
70,covalent,SING,C15,H68,,,,,26516,bmse010039,1
71,covalent,SING,C16,H69,,,,,26516,bmse010039,1
72,covalent,SING,C17,H70,,,,,26516,bmse010039,1
73,covalent,SING,C18,H71,,,,,26516,bmse010039,1
74,covalent,SING,C19,H72,,,,,26516,bmse010039,1
75,covalent,SING,C19,H73,,,,,26516,bmse010039,1
76,covalent,SING,C30,H74,,,,,26516,bmse010039,1
77,covalent,SING,C32,H75,,,,,26516,bmse010039,1
1,covalent,SING,C1,C15,,,,,26530,bmse010040,1
2,covalent,SING,C2,C16,,,,,26530,bmse010040,1
3,covalent,SING,C3,C17,,,,,26530,bmse010040,1
4,covalent,SING,C4,C18,,,,,26530,bmse010040,1
5,covalent,SING,C5,C19,,,,,26530,bmse010040,1
6,covalent,SING,C6,O32,,,,,26530,bmse010040,1
7,covalent,SING,C7,O33,,,,,26530,bmse010040,1
8,covalent,SING,C8,C10,,,,,26530,bmse010040,1
9,covalent,DOUB,C8,C20,,,,,26530,bmse010040,1
10,covalent,DOUB,C9,C11,,,,,26530,bmse010040,1
11,covalent,SING,C9,C20,,,,,26530,bmse010040,1
12,covalent,DOUB,C10,C22,,,,,26530,bmse010040,1
13,covalent,SING,C11,C22,,,,,26530,bmse010040,1
14,covalent,DOUB,C12,C21,,,,,26530,bmse010040,1
15,covalent,SING,C12,C23,,,,,26530,bmse010040,1
16,covalent,SING,C13,C21,,,,,26530,bmse010040,1
17,covalent,DOUB,C13,C24,,,,,26530,bmse010040,1
18,covalent,SING,C14,C25,,,,,26530,bmse010040,1
19,covalent,SING,C14,O34,,,,,26530,bmse010040,1
20,covalent,SING,C15,C20,,,,,26530,bmse010040,1
21,covalent,SING,C15,O35,,,,,26530,bmse010040,1
22,covalent,DOUB,C16,O28,,,,,26530,bmse010040,1
23,covalent,SING,C16,O34,,,,,26530,bmse010040,1
24,covalent,DOUB,C17,O29,,,,,26530,bmse010040,1
25,covalent,SING,C17,O35,,,,,26530,bmse010040,1
26,covalent,DOUB,C18,O30,,,,,26530,bmse010040,1
27,covalent,SING,C18,O36,,,,,26530,bmse010040,1
28,covalent,DOUB,C19,O31,,,,,26530,bmse010040,1
29,covalent,SING,C19,O37,,,,,26530,bmse010040,1
30,covalent,SING,C21,C26,,,,,26530,bmse010040,1
31,covalent,SING,C22,O38,,,,,26530,bmse010040,1
32,covalent,DOUB,C23,C27,,,,,26530,bmse010040,1
33,covalent,SING,C23,O32,,,,,26530,bmse010040,1
34,covalent,SING,C24,C27,,,,,26530,bmse010040,1
35,covalent,SING,C24,O33,,,,,26530,bmse010040,1
36,covalent,SING,C25,C26,,,,,26530,bmse010040,1
37,covalent,SING,C25,O38,,,,,26530,bmse010040,1
38,covalent,SING,C26,O36,,,,,26530,bmse010040,1
39,covalent,SING,C27,O37,,,,,26530,bmse010040,1
40,covalent,SING,C1,H40,,,,,26530,bmse010040,1
41,covalent,SING,C1,H39,,,,,26530,bmse010040,1
42,covalent,SING,C1,H41,,,,,26530,bmse010040,1
43,covalent,SING,C2,H44,,,,,26530,bmse010040,1
44,covalent,SING,C2,H42,,,,,26530,bmse010040,1
45,covalent,SING,C2,H43,,,,,26530,bmse010040,1
46,covalent,SING,C3,H46,,,,,26530,bmse010040,1
47,covalent,SING,C3,H45,,,,,26530,bmse010040,1
48,covalent,SING,C3,H47,,,,,26530,bmse010040,1
49,covalent,SING,C4,H50,,,,,26530,bmse010040,1
50,covalent,SING,C4,H49,,,,,26530,bmse010040,1
51,covalent,SING,C4,H48,,,,,26530,bmse010040,1
52,covalent,SING,C5,H51,,,,,26530,bmse010040,1
53,covalent,SING,C5,H53,,,,,26530,bmse010040,1
54,covalent,SING,C5,H52,,,,,26530,bmse010040,1
55,covalent,SING,C6,H56,,,,,26530,bmse010040,1
56,covalent,SING,C6,H55,,,,,26530,bmse010040,1
57,covalent,SING,C6,H54,,,,,26530,bmse010040,1
58,covalent,SING,C7,H59,,,,,26530,bmse010040,1
59,covalent,SING,C7,H58,,,,,26530,bmse010040,1
60,covalent,SING,C7,H57,,,,,26530,bmse010040,1
61,covalent,SING,C8,H60,,,,,26530,bmse010040,1
62,covalent,SING,C9,H61,,,,,26530,bmse010040,1
63,covalent,SING,C10,H62,,,,,26530,bmse010040,1
64,covalent,SING,C11,H63,,,,,26530,bmse010040,1
65,covalent,SING,C12,H64,,,,,26530,bmse010040,1
66,covalent,SING,C13,H65,,,,,26530,bmse010040,1
67,covalent,SING,C14,H66,,,,,26530,bmse010040,1
68,covalent,SING,C14,H67,,,,,26530,bmse010040,1
69,covalent,SING,C15,H68,,,,,26530,bmse010040,1
70,covalent,SING,C25,H69,,,,,26530,bmse010040,1
71,covalent,SING,C26,H70,,,,,26530,bmse010040,1
1,covalent,SING,C1,O21,,,,,26550,bmse010041,1
2,covalent,SING,C2,O22,,,,,26550,bmse010041,1
3,covalent,DOUB,C3,C4,,,,,26550,bmse010041,1
4,covalent,SING,C3,C5,,,,,26550,bmse010041,1
5,covalent,SING,C4,C6,,,,,26550,bmse010041,1
6,covalent,DOUB,C5,C13,,,,,26550,bmse010041,1
7,covalent,DOUB,C6,C14,,,,,26550,bmse010041,1
8,covalent,DOUB,C7,C8,,,,,26550,bmse010041,1
9,covalent,SING,C7,C11,,,,,26550,bmse010041,1
10,covalent,SING,C8,C12,,,,,26550,bmse010041,1
11,covalent,DOUB,C9,C11,,,,,26550,bmse010041,1
12,covalent,SING,C9,C15,,,,,26550,bmse010041,1
13,covalent,SING,C10,C16,,,,,26550,bmse010041,1
14,covalent,SING,C10,O18,,,,,26550,bmse010041,1
15,covalent,SING,C11,C17,,,,,26550,bmse010041,1
16,covalent,DOUB,C12,C15,,,,,26550,bmse010041,1
17,covalent,SING,C12,O19,,,,,26550,bmse010041,1
18,covalent,SING,C13,C14,,,,,26550,bmse010041,1
19,covalent,SING,C13,O21,,,,,26550,bmse010041,1
20,covalent,SING,C14,O23,,,,,26550,bmse010041,1
21,covalent,SING,C15,O22,,,,,26550,bmse010041,1
22,covalent,SING,C16,C17,,,,,26550,bmse010041,1
23,covalent,SING,C16,O23,,,,,26550,bmse010041,1
24,covalent,SING,C17,O20,,,,,26550,bmse010041,1
25,covalent,SING,C1,H25,,,,,26550,bmse010041,1
26,covalent,SING,C1,H24,,,,,26550,bmse010041,1
27,covalent,SING,C1,H26,,,,,26550,bmse010041,1
28,covalent,SING,C2,H27,,,,,26550,bmse010041,1
29,covalent,SING,C2,H28,,,,,26550,bmse010041,1
30,covalent,SING,C2,H29,,,,,26550,bmse010041,1
31,covalent,SING,C3,H30,,,,,26550,bmse010041,1
32,covalent,SING,C4,H31,,,,,26550,bmse010041,1
33,covalent,SING,C5,H32,,,,,26550,bmse010041,1
34,covalent,SING,C6,H33,,,,,26550,bmse010041,1
35,covalent,SING,C7,H34,,,,,26550,bmse010041,1
36,covalent,SING,C8,H35,,,,,26550,bmse010041,1
37,covalent,SING,C9,H36,,,,,26550,bmse010041,1
38,covalent,SING,C10,H37,,,,,26550,bmse010041,1
39,covalent,SING,C10,H38,,,,,26550,bmse010041,1
40,covalent,SING,C16,H39,,,,,26550,bmse010041,1
41,covalent,SING,C17,H40,,,,,26550,bmse010041,1
42,covalent,SING,O18,H41,,,,,26550,bmse010041,1
43,covalent,SING,O19,H42,,,,,26550,bmse010041,1
44,covalent,SING,O20,H43,,,,,26550,bmse010041,1
1,covalent,SING,C1,O21,,,,,26570,bmse010042,1
2,covalent,SING,C2,O22,,,,,26570,bmse010042,1
3,covalent,DOUB,C3,C4,,,,,26570,bmse010042,1
4,covalent,SING,C3,C5,,,,,26570,bmse010042,1
5,covalent,SING,C4,C6,,,,,26570,bmse010042,1
6,covalent,DOUB,C5,C13,,,,,26570,bmse010042,1
7,covalent,DOUB,C6,C14,,,,,26570,bmse010042,1
8,covalent,DOUB,C7,C8,,,,,26570,bmse010042,1
9,covalent,SING,C7,C11,,,,,26570,bmse010042,1
10,covalent,SING,C8,C12,,,,,26570,bmse010042,1
11,covalent,DOUB,C9,C11,,,,,26570,bmse010042,1
12,covalent,SING,C9,C15,,,,,26570,bmse010042,1
13,covalent,SING,C10,C16,,,,,26570,bmse010042,1
14,covalent,SING,C10,O18,,,,,26570,bmse010042,1
15,covalent,SING,C11,C17,,,,,26570,bmse010042,1
16,covalent,DOUB,C12,C15,,,,,26570,bmse010042,1
17,covalent,SING,C12,O19,,,,,26570,bmse010042,1
18,covalent,SING,C13,C14,,,,,26570,bmse010042,1
19,covalent,SING,C13,O21,,,,,26570,bmse010042,1
20,covalent,SING,C14,O23,,,,,26570,bmse010042,1
21,covalent,SING,C15,O22,,,,,26570,bmse010042,1
22,covalent,SING,C16,C17,,,,,26570,bmse010042,1
23,covalent,SING,C16,O23,,,,,26570,bmse010042,1
24,covalent,SING,C17,O20,,,,,26570,bmse010042,1
25,covalent,SING,C1,H25,,,,,26570,bmse010042,1
26,covalent,SING,C1,H24,,,,,26570,bmse010042,1
27,covalent,SING,C1,H26,,,,,26570,bmse010042,1
28,covalent,SING,C2,H27,,,,,26570,bmse010042,1
29,covalent,SING,C2,H28,,,,,26570,bmse010042,1
30,covalent,SING,C2,H29,,,,,26570,bmse010042,1
31,covalent,SING,C3,H30,,,,,26570,bmse010042,1
32,covalent,SING,C4,H31,,,,,26570,bmse010042,1
33,covalent,SING,C5,H32,,,,,26570,bmse010042,1
34,covalent,SING,C6,H33,,,,,26570,bmse010042,1
35,covalent,SING,C7,H34,,,,,26570,bmse010042,1
36,covalent,SING,C8,H35,,,,,26570,bmse010042,1
37,covalent,SING,C9,H36,,,,,26570,bmse010042,1
38,covalent,SING,C10,H37,,,,,26570,bmse010042,1
39,covalent,SING,C10,H38,,,,,26570,bmse010042,1
40,covalent,SING,C16,H39,,,,,26570,bmse010042,1
41,covalent,SING,C17,H40,,,,,26570,bmse010042,1
42,covalent,SING,O18,H41,,,,,26570,bmse010042,1
43,covalent,SING,O19,H42,,,,,26570,bmse010042,1
44,covalent,SING,O20,H43,,,,,26570,bmse010042,1
1,covalent,SING,C1,C7,,,,,26590,bmse010043,1
2,covalent,SING,C2,C8,,,,,26590,bmse010043,1
3,covalent,SING,C3,O14,,,,,26590,bmse010043,1
4,covalent,DOUB,C4,C5,,,,,26590,bmse010043,1
5,covalent,SING,C4,C9,,,,,26590,bmse010043,1
6,covalent,SING,C5,C10,,,,,26590,bmse010043,1
7,covalent,DOUB,C6,C9,,,,,26590,bmse010043,1
8,covalent,SING,C6,C11,,,,,26590,bmse010043,1
9,covalent,SING,C7,C9,,,,,26590,bmse010043,1
10,covalent,DOUB,C7,O12,,,,,26590,bmse010043,1
11,covalent,DOUB,C8,O13,,,,,26590,bmse010043,1
12,covalent,SING,C8,O15,,,,,26590,bmse010043,1
13,covalent,DOUB,C10,C11,,,,,26590,bmse010043,1
14,covalent,SING,C10,O15,,,,,26590,bmse010043,1
15,covalent,SING,C11,O14,,,,,26590,bmse010043,1
16,covalent,SING,C1,H16,,,,,26590,bmse010043,1
17,covalent,SING,C1,H17,,,,,26590,bmse010043,1
18,covalent,SING,C1,H18,,,,,26590,bmse010043,1
19,covalent,SING,C2,H20,,,,,26590,bmse010043,1
20,covalent,SING,C2,H19,,,,,26590,bmse010043,1
21,covalent,SING,C2,H21,,,,,26590,bmse010043,1
22,covalent,SING,C3,H23,,,,,26590,bmse010043,1
23,covalent,SING,C3,H24,,,,,26590,bmse010043,1
24,covalent,SING,C3,H22,,,,,26590,bmse010043,1
25,covalent,SING,C4,H25,,,,,26590,bmse010043,1
26,covalent,SING,C5,H26,,,,,26590,bmse010043,1
27,covalent,SING,C6,H27,,,,,26590,bmse010043,1
1,covalent,SING,C1,O21,,,,,26610,bmse010044,1
2,covalent,SING,C2,O22,,,,,26610,bmse010044,1
3,covalent,SING,C3,O23,,,,,26610,bmse010044,1
4,covalent,DOUB,C4,C5,,,,,26610,bmse010044,1
5,covalent,SING,C4,C6,,,,,26610,bmse010044,1
6,covalent,SING,C5,C7,,,,,26610,bmse010044,1
7,covalent,DOUB,C6,C13,,,,,26610,bmse010044,1
8,covalent,DOUB,C7,C15,,,,,26610,bmse010044,1
9,covalent,DOUB,C8,C9,,,,,26610,bmse010044,1
10,covalent,SING,C8,C12,,,,,26610,bmse010044,1
11,covalent,SING,C9,C14,,,,,26610,bmse010044,1
12,covalent,DOUB,C10,C12,,,,,26610,bmse010044,1
13,covalent,SING,C10,C16,,,,,26610,bmse010044,1
14,covalent,SING,C11,C17,,,,,26610,bmse010044,1
15,covalent,SING,C11,O19,,,,,26610,bmse010044,1
16,covalent,SING,C12,C18,,,,,26610,bmse010044,1
17,covalent,SING,C13,C15,,,,,26610,bmse010044,1
18,covalent,SING,C13,O21,,,,,26610,bmse010044,1
19,covalent,DOUB,C14,C16,,,,,26610,bmse010044,1
20,covalent,SING,C14,O22,,,,,26610,bmse010044,1
21,covalent,SING,C15,O24,,,,,26610,bmse010044,1
22,covalent,SING,C16,O23,,,,,26610,bmse010044,1
23,covalent,SING,C17,C18,,,,,26610,bmse010044,1
24,covalent,SING,C17,O24,,,,,26610,bmse010044,1
25,covalent,SING,C18,O20,,,,,26610,bmse010044,1
26,covalent,SING,C1,H26,,,,,26610,bmse010044,1
27,covalent,SING,C1,H25,,,,,26610,bmse010044,1
28,covalent,SING,C1,H27,,,,,26610,bmse010044,1
29,covalent,SING,C2,H30,,,,,26610,bmse010044,1
30,covalent,SING,C2,H29,,,,,26610,bmse010044,1
31,covalent,SING,C2,H28,,,,,26610,bmse010044,1
32,covalent,SING,C3,H32,,,,,26610,bmse010044,1
33,covalent,SING,C3,H33,,,,,26610,bmse010044,1
34,covalent,SING,C3,H31,,,,,26610,bmse010044,1
35,covalent,SING,C4,H34,,,,,26610,bmse010044,1
36,covalent,SING,C5,H35,,,,,26610,bmse010044,1
37,covalent,SING,C6,H36,,,,,26610,bmse010044,1
38,covalent,SING,C7,H37,,,,,26610,bmse010044,1
39,covalent,SING,C8,H38,,,,,26610,bmse010044,1
40,covalent,SING,C9,H39,,,,,26610,bmse010044,1
41,covalent,SING,C10,H40,,,,,26610,bmse010044,1
42,covalent,SING,C11,H41,,,,,26610,bmse010044,1
43,covalent,SING,C11,H42,,,,,26610,bmse010044,1
44,covalent,SING,C17,H43,,,,,26610,bmse010044,1
45,covalent,SING,C18,H44,,,,,26610,bmse010044,1
46,covalent,SING,O19,H45,,,,,26610,bmse010044,1
47,covalent,SING,O20,H46,,,,,26610,bmse010044,1
1,covalent,SING,C1,O21,,,,,26630,bmse010045,1
2,covalent,SING,C2,O22,,,,,26630,bmse010045,1
3,covalent,SING,C3,O23,,,,,26630,bmse010045,1
4,covalent,DOUB,C4,C5,,,,,26630,bmse010045,1
5,covalent,SING,C4,C6,,,,,26630,bmse010045,1
6,covalent,SING,C5,C7,,,,,26630,bmse010045,1
7,covalent,DOUB,C6,C13,,,,,26630,bmse010045,1
8,covalent,DOUB,C7,C15,,,,,26630,bmse010045,1
9,covalent,DOUB,C8,C9,,,,,26630,bmse010045,1
10,covalent,SING,C8,C12,,,,,26630,bmse010045,1
11,covalent,SING,C9,C14,,,,,26630,bmse010045,1
12,covalent,DOUB,C10,C12,,,,,26630,bmse010045,1
13,covalent,SING,C10,C16,,,,,26630,bmse010045,1
14,covalent,SING,C11,C17,,,,,26630,bmse010045,1
15,covalent,SING,C11,O19,,,,,26630,bmse010045,1
16,covalent,SING,C12,C18,,,,,26630,bmse010045,1
17,covalent,SING,C13,C15,,,,,26630,bmse010045,1
18,covalent,SING,C13,O21,,,,,26630,bmse010045,1
19,covalent,DOUB,C14,C16,,,,,26630,bmse010045,1
20,covalent,SING,C14,O22,,,,,26630,bmse010045,1
21,covalent,SING,C15,O24,,,,,26630,bmse010045,1
22,covalent,SING,C16,O23,,,,,26630,bmse010045,1
23,covalent,SING,C17,C18,,,,,26630,bmse010045,1
24,covalent,SING,C17,O24,,,,,26630,bmse010045,1
25,covalent,SING,C18,O20,,,,,26630,bmse010045,1
26,covalent,SING,C1,H26,,,,,26630,bmse010045,1
27,covalent,SING,C1,H25,,,,,26630,bmse010045,1
28,covalent,SING,C1,H27,,,,,26630,bmse010045,1
29,covalent,SING,C2,H30,,,,,26630,bmse010045,1
30,covalent,SING,C2,H29,,,,,26630,bmse010045,1
31,covalent,SING,C2,H28,,,,,26630,bmse010045,1
32,covalent,SING,C3,H32,,,,,26630,bmse010045,1
33,covalent,SING,C3,H33,,,,,26630,bmse010045,1
34,covalent,SING,C3,H31,,,,,26630,bmse010045,1
35,covalent,SING,C4,H34,,,,,26630,bmse010045,1
36,covalent,SING,C5,H35,,,,,26630,bmse010045,1
37,covalent,SING,C6,H36,,,,,26630,bmse010045,1
38,covalent,SING,C7,H37,,,,,26630,bmse010045,1
39,covalent,SING,C8,H38,,,,,26630,bmse010045,1
40,covalent,SING,C9,H39,,,,,26630,bmse010045,1
41,covalent,SING,C10,H40,,,,,26630,bmse010045,1
42,covalent,SING,C11,H41,,,,,26630,bmse010045,1
43,covalent,SING,C11,H42,,,,,26630,bmse010045,1
44,covalent,SING,C17,H43,,,,,26630,bmse010045,1
45,covalent,SING,C18,H44,,,,,26630,bmse010045,1
46,covalent,SING,O19,H45,,,,,26630,bmse010045,1
47,covalent,SING,O20,H46,,,,,26630,bmse010045,1
1,covalent,SING,C1,O21,,,,,26650,bmse010046,1
2,covalent,SING,C2,O22,,,,,26650,bmse010046,1
3,covalent,DOUB,C3,C4,,,,,26650,bmse010046,1
4,covalent,SING,C3,C5,,,,,26650,bmse010046,1
5,covalent,SING,C4,C6,,,,,26650,bmse010046,1
6,covalent,DOUB,C5,C13,,,,,26650,bmse010046,1
7,covalent,DOUB,C6,C14,,,,,26650,bmse010046,1
8,covalent,DOUB,C7,C8,,,,,26650,bmse010046,1
9,covalent,SING,C7,C11,,,,,26650,bmse010046,1
10,covalent,SING,C8,C12,,,,,26650,bmse010046,1
11,covalent,DOUB,C9,C11,,,,,26650,bmse010046,1
12,covalent,SING,C9,C15,,,,,26650,bmse010046,1
13,covalent,SING,C10,C16,,,,,26650,bmse010046,1
14,covalent,SING,C10,O18,,,,,26650,bmse010046,1
15,covalent,SING,C11,C17,,,,,26650,bmse010046,1
16,covalent,DOUB,C12,C15,,,,,26650,bmse010046,1
17,covalent,SING,C12,O19,,,,,26650,bmse010046,1
18,covalent,SING,C13,C14,,,,,26650,bmse010046,1
19,covalent,SING,C13,O21,,,,,26650,bmse010046,1
20,covalent,SING,C14,O23,,,,,26650,bmse010046,1
21,covalent,SING,C15,O22,,,,,26650,bmse010046,1
22,covalent,SING,C16,C17,,,,,26650,bmse010046,1
23,covalent,SING,C16,O23,,,,,26650,bmse010046,1
24,covalent,DOUB,C17,O20,,,,,26650,bmse010046,1
25,covalent,SING,C1,H25,,,,,26650,bmse010046,1
26,covalent,SING,C1,H24,,,,,26650,bmse010046,1
27,covalent,SING,C1,H26,,,,,26650,bmse010046,1
28,covalent,SING,C2,H27,,,,,26650,bmse010046,1
29,covalent,SING,C2,H28,,,,,26650,bmse010046,1
30,covalent,SING,C2,H29,,,,,26650,bmse010046,1
31,covalent,SING,C3,H30,,,,,26650,bmse010046,1
32,covalent,SING,C4,H31,,,,,26650,bmse010046,1
33,covalent,SING,C5,H32,,,,,26650,bmse010046,1
34,covalent,SING,C6,H33,,,,,26650,bmse010046,1
35,covalent,SING,C7,H34,,,,,26650,bmse010046,1
36,covalent,SING,C8,H35,,,,,26650,bmse010046,1
37,covalent,SING,C9,H36,,,,,26650,bmse010046,1
38,covalent,SING,C10,H37,,,,,26650,bmse010046,1
39,covalent,SING,C10,H38,,,,,26650,bmse010046,1
40,covalent,SING,C16,H39,,,,,26650,bmse010046,1
41,covalent,SING,O18,H40,,,,,26650,bmse010046,1
42,covalent,SING,O19,H41,,,,,26650,bmse010046,1
1,covalent,SING,C1,O20,,,,,26670,bmse010047,1
2,covalent,DOUB,C2,C3,,,,,26670,bmse010047,1
3,covalent,SING,C2,C7,,,,,26670,bmse010047,1
4,covalent,SING,C3,C8,,,,,26670,bmse010047,1
5,covalent,DOUB,C4,C7,,,,,26670,bmse010047,1
6,covalent,SING,C4,C9,,,,,26670,bmse010047,1
7,covalent,SING,C10,C5,,,,,26670,bmse010047,1
8,covalent,SING,C5,O15,,,,,26670,bmse010047,1
9,covalent,SING,C6,C7,,,,,26670,bmse010047,1
10,covalent,SING,C6,O21,,,,,26670,bmse010047,1
11,covalent,DOUB,C8,C9,,,,,26670,bmse010047,1
12,covalent,SING,C8,O16,,,,,26670,bmse010047,1
13,covalent,SING,C9,O20,,,,,26670,bmse010047,1
14,covalent,SING,C10,C11,,,,,26670,bmse010047,1
15,covalent,SING,C10,O22,,,,,26670,bmse010047,1
16,covalent,SING,C11,C12,,,,,26670,bmse010047,1
17,covalent,SING,C11,O17,,,,,26670,bmse010047,1
18,covalent,SING,C12,C13,,,,,26670,bmse010047,1
19,covalent,SING,C12,O18,,,,,26670,bmse010047,1
20,covalent,SING,C13,C14,,,,,26670,bmse010047,1
21,covalent,SING,C13,O19,,,,,26670,bmse010047,1
22,covalent,SING,C14,O21,,,,,26670,bmse010047,1
23,covalent,SING,C14,O22,,,,,26670,bmse010047,1
24,covalent,SING,C1,H23,,,,,26670,bmse010047,1
25,covalent,SING,C1,H24,,,,,26670,bmse010047,1
26,covalent,SING,C1,H25,,,,,26670,bmse010047,1
27,covalent,SING,C2,H26,,,,,26670,bmse010047,1
28,covalent,SING,C3,H27,,,,,26670,bmse010047,1
29,covalent,SING,C4,H28,,,,,26670,bmse010047,1
30,covalent,SING,C5,H29,,,,,26670,bmse010047,1
31,covalent,SING,C5,H30,,,,,26670,bmse010047,1
32,covalent,SING,C6,H31,,,,,26670,bmse010047,1
33,covalent,SING,C6,H32,,,,,26670,bmse010047,1
34,covalent,SING,C10,H33,,,,,26670,bmse010047,1
35,covalent,SING,C11,H34,,,,,26670,bmse010047,1
36,covalent,SING,C12,H35,,,,,26670,bmse010047,1
37,covalent,SING,C13,H36,,,,,26670,bmse010047,1
38,covalent,SING,C14,H37,,,,,26670,bmse010047,1
39,covalent,SING,O15,H38,,,,,26670,bmse010047,1
40,covalent,SING,O16,H39,,,,,26670,bmse010047,1
41,covalent,SING,O17,H40,,,,,26670,bmse010047,1
42,covalent,SING,O18,H41,,,,,26670,bmse010047,1
43,covalent,SING,O19,H42,,,,,26670,bmse010047,1
1,covalent,SING,C1,C8,,,,,26687,bmse010048,1
2,covalent,SING,C2,O16,,,,,26687,bmse010048,1
3,covalent,DOUB,C3,C5,,,,,26687,bmse010048,1
4,covalent,SING,C3,C9,,,,,26687,bmse010048,1
5,covalent,DOUB,C4,C6,,,,,26687,bmse010048,1
6,covalent,SING,C4,C9,,,,,26687,bmse010048,1
7,covalent,SING,C5,C10,,,,,26687,bmse010048,1
8,covalent,SING,C6,C12,,,,,26687,bmse010048,1
9,covalent,DOUB,C7,C9,,,,,26687,bmse010048,1
10,covalent,SING,C7,C11,,,,,26687,bmse010048,1
11,covalent,DOUB,C8,O13,,,,,26687,bmse010048,1
12,covalent,SING,C8,O17,,,,,26687,bmse010048,1
13,covalent,DOUB,C10,C11,,,,,26687,bmse010048,1
14,covalent,SING,C10,O17,,,,,26687,bmse010048,1
15,covalent,SING,C11,O16,,,,,26687,bmse010048,1
16,covalent,SING,C12,O14,,,,,26687,bmse010048,1
17,covalent,DOUB,C12,O15,,,,,26687,bmse010048,1
18,covalent,SING,C1,H19,,,,,26687,bmse010048,1
19,covalent,SING,C1,H18,,,,,26687,bmse010048,1
20,covalent,SING,C1,H20,,,,,26687,bmse010048,1
21,covalent,SING,C2,H22,,,,,26687,bmse010048,1
22,covalent,SING,C2,H23,,,,,26687,bmse010048,1
23,covalent,SING,C2,H21,,,,,26687,bmse010048,1
24,covalent,SING,C3,H24,,,,,26687,bmse010048,1
25,covalent,SING,C4,H25,,,,,26687,bmse010048,1
26,covalent,SING,C5,H26,,,,,26687,bmse010048,1
27,covalent,SING,C6,H27,,,,,26687,bmse010048,1
28,covalent,SING,C7,H28,,,,,26687,bmse010048,1
29,covalent,SING,O14,H29,,,,,26687,bmse010048,1
1,covalent,SING,C1,C13,,,,,26707,bmse010049,1
2,covalent,SING,C2,C14,,,,,26707,bmse010049,1
3,covalent,SING,C3,O27,,,,,26707,bmse010049,1
4,covalent,SING,C4,O28,,,,,26707,bmse010049,1
5,covalent,DOUB,C5,C7,,,,,26707,bmse010049,1
6,covalent,SING,C5,C15,,,,,26707,bmse010049,1
7,covalent,DOUB,C6,C8,,,,,26707,bmse010049,1
8,covalent,SING,C6,C16,,,,,26707,bmse010049,1
9,covalent,SING,C7,C19,,,,,26707,bmse010049,1
10,covalent,SING,C8,C20,,,,,26707,bmse010049,1
11,covalent,DOUB,C9,C15,,,,,26707,bmse010049,1
12,covalent,SING,C9,C21,,,,,26707,bmse010049,1
13,covalent,DOUB,C10,C16,,,,,26707,bmse010049,1
14,covalent,SING,C10,C22,,,,,26707,bmse010049,1
15,covalent,SING,C11,C17,,,,,26707,bmse010049,1
16,covalent,SING,C11,O30,,,,,26707,bmse010049,1
17,covalent,SING,C12,C18,,,,,26707,bmse010049,1
18,covalent,SING,C12,O29,,,,,26707,bmse010049,1
19,covalent,DOUB,C13,O25,,,,,26707,bmse010049,1
20,covalent,SING,C13,O31,,,,,26707,bmse010049,1
21,covalent,DOUB,C14,O26,,,,,26707,bmse010049,1
22,covalent,SING,C14,O32,,,,,26707,bmse010049,1
23,covalent,SING,C15,C23,,,,,26707,bmse010049,1
24,covalent,SING,C16,C24,,,,,26707,bmse010049,1
25,covalent,SING,C17,C18,,,,,26707,bmse010049,1
26,covalent,SING,C17,C23,,,,,26707,bmse010049,1
27,covalent,SING,C18,C24,,,,,26707,bmse010049,1
28,covalent,DOUB,C19,C21,,,,,26707,bmse010049,1
29,covalent,SING,C19,O31,,,,,26707,bmse010049,1
30,covalent,DOUB,C20,C22,,,,,26707,bmse010049,1
31,covalent,SING,C20,O32,,,,,26707,bmse010049,1
32,covalent,SING,C21,O27,,,,,26707,bmse010049,1
33,covalent,SING,C22,O28,,,,,26707,bmse010049,1
34,covalent,SING,C23,O29,,,,,26707,bmse010049,1
35,covalent,SING,C24,O30,,,,,26707,bmse010049,1
36,covalent,SING,C1,H35,,,,,26707,bmse010049,1
37,covalent,SING,C1,H33,,,,,26707,bmse010049,1
38,covalent,SING,C1,H34,,,,,26707,bmse010049,1
39,covalent,SING,C2,H36,,,,,26707,bmse010049,1
40,covalent,SING,C2,H38,,,,,26707,bmse010049,1
41,covalent,SING,C2,H37,,,,,26707,bmse010049,1
42,covalent,SING,C3,H39,,,,,26707,bmse010049,1
43,covalent,SING,C3,H40,,,,,26707,bmse010049,1
44,covalent,SING,C3,H41,,,,,26707,bmse010049,1
45,covalent,SING,C4,H44,,,,,26707,bmse010049,1
46,covalent,SING,C4,H43,,,,,26707,bmse010049,1
47,covalent,SING,C4,H42,,,,,26707,bmse010049,1
48,covalent,SING,C5,H45,,,,,26707,bmse010049,1
49,covalent,SING,C6,H46,,,,,26707,bmse010049,1
50,covalent,SING,C7,H47,,,,,26707,bmse010049,1
51,covalent,SING,C8,H48,,,,,26707,bmse010049,1
52,covalent,SING,C9,H49,,,,,26707,bmse010049,1
53,covalent,SING,C10,H50,,,,,26707,bmse010049,1
54,covalent,SING,C11,H51,,,,,26707,bmse010049,1
55,covalent,SING,C11,H52,,,,,26707,bmse010049,1
56,covalent,SING,C12,H53,,,,,26707,bmse010049,1
57,covalent,SING,C12,H54,,,,,26707,bmse010049,1
58,covalent,SING,C17,H55,,,,,26707,bmse010049,1
59,covalent,SING,C18,H56,,,,,26707,bmse010049,1
60,covalent,SING,C23,H57,,,,,26707,bmse010049,1
61,covalent,SING,C24,H58,,,,,26707,bmse010049,1
1,covalent,SING,C1,O21,,,,,26727,bmse010050,1
2,covalent,SING,C2,O22,,,,,26727,bmse010050,1
3,covalent,SING,C3,O23,,,,,26727,bmse010050,1
4,covalent,DOUB,C4,C5,,,,,26727,bmse010050,1
5,covalent,SING,C4,C6,,,,,26727,bmse010050,1
6,covalent,SING,C5,C7,,,,,26727,bmse010050,1
7,covalent,DOUB,C6,C13,,,,,26727,bmse010050,1
8,covalent,DOUB,C7,C15,,,,,26727,bmse010050,1
9,covalent,DOUB,C8,C9,,,,,26727,bmse010050,1
10,covalent,SING,C8,C12,,,,,26727,bmse010050,1
11,covalent,SING,C9,C14,,,,,26727,bmse010050,1
12,covalent,DOUB,C10,C12,,,,,26727,bmse010050,1
13,covalent,SING,C10,C16,,,,,26727,bmse010050,1
14,covalent,SING,C11,C17,,,,,26727,bmse010050,1
15,covalent,SING,C11,O19,,,,,26727,bmse010050,1
16,covalent,SING,C12,C18,,,,,26727,bmse010050,1
17,covalent,SING,C13,C15,,,,,26727,bmse010050,1
18,covalent,SING,C13,O21,,,,,26727,bmse010050,1
19,covalent,DOUB,C14,C16,,,,,26727,bmse010050,1
20,covalent,SING,C14,O22,,,,,26727,bmse010050,1
21,covalent,SING,C15,O24,,,,,26727,bmse010050,1
22,covalent,SING,C16,O23,,,,,26727,bmse010050,1
23,covalent,SING,C17,C18,,,,,26727,bmse010050,1
24,covalent,SING,C17,O24,,,,,26727,bmse010050,1
25,covalent,DOUB,C18,O20,,,,,26727,bmse010050,1
26,covalent,SING,C1,H26,,,,,26727,bmse010050,1
27,covalent,SING,C1,H25,,,,,26727,bmse010050,1
28,covalent,SING,C1,H27,,,,,26727,bmse010050,1
29,covalent,SING,C2,H28,,,,,26727,bmse010050,1
30,covalent,SING,C2,H30,,,,,26727,bmse010050,1
31,covalent,SING,C2,H29,,,,,26727,bmse010050,1
32,covalent,SING,C3,H33,,,,,26727,bmse010050,1
33,covalent,SING,C3,H32,,,,,26727,bmse010050,1
34,covalent,SING,C3,H31,,,,,26727,bmse010050,1
35,covalent,SING,C4,H34,,,,,26727,bmse010050,1
36,covalent,SING,C5,H35,,,,,26727,bmse010050,1
37,covalent,SING,C6,H36,,,,,26727,bmse010050,1
38,covalent,SING,C7,H37,,,,,26727,bmse010050,1
39,covalent,SING,C8,H38,,,,,26727,bmse010050,1
40,covalent,SING,C9,H39,,,,,26727,bmse010050,1
41,covalent,SING,C10,H40,,,,,26727,bmse010050,1
42,covalent,SING,C11,H41,,,,,26727,bmse010050,1
43,covalent,SING,C11,H42,,,,,26727,bmse010050,1
44,covalent,SING,C17,H43,,,,,26727,bmse010050,1
45,covalent,SING,O19,H44,,,,,26727,bmse010050,1
1,covalent,SING,C1,C4,,,,,26747,bmse010051,1
2,covalent,SING,C2,C9,,,,,26747,bmse010051,1
3,covalent,SING,C3,O14,,,,,26747,bmse010051,1
4,covalent,DOUB,C4,C5,,,,,26747,bmse010051,1
5,covalent,SING,C5,C10,,,,,26747,bmse010051,1
6,covalent,DOUB,C6,C7,,,,,26747,bmse010051,1
7,covalent,SING,C6,C10,,,,,26747,bmse010051,1
8,covalent,SING,C7,C11,,,,,26747,bmse010051,1
9,covalent,DOUB,C8,C10,,,,,26747,bmse010051,1
10,covalent,SING,C8,C12,,,,,26747,bmse010051,1
11,covalent,DOUB,C9,O13,,,,,26747,bmse010051,1
12,covalent,SING,C9,O15,,,,,26747,bmse010051,1
13,covalent,DOUB,C11,C12,,,,,26747,bmse010051,1
14,covalent,SING,C11,O15,,,,,26747,bmse010051,1
15,covalent,SING,C12,O14,,,,,26747,bmse010051,1
16,covalent,SING,C1,H17,,,,,26747,bmse010051,1
17,covalent,SING,C1,H16,,,,,26747,bmse010051,1
18,covalent,SING,C1,H18,,,,,26747,bmse010051,1
19,covalent,SING,C2,H20,,,,,26747,bmse010051,1
20,covalent,SING,C2,H19,,,,,26747,bmse010051,1
21,covalent,SING,C2,H21,,,,,26747,bmse010051,1
22,covalent,SING,C3,H23,,,,,26747,bmse010051,1
23,covalent,SING,C3,H24,,,,,26747,bmse010051,1
24,covalent,SING,C3,H22,,,,,26747,bmse010051,1
25,covalent,SING,C4,H25,,,,,26747,bmse010051,1
26,covalent,SING,C5,H26,,,,,26747,bmse010051,1
27,covalent,SING,C6,H27,,,,,26747,bmse010051,1
28,covalent,SING,C7,H28,,,,,26747,bmse010051,1
29,covalent,SING,C8,H29,,,,,26747,bmse010051,1
1,covalent,SING,C1,C3,,,,,26767,bmse010052,1
2,covalent,SING,C2,O12,,,,,26767,bmse010052,1
3,covalent,DOUB,C3,C4,,,,,26767,bmse010052,1
4,covalent,SING,C4,C8,,,,,26767,bmse010052,1
5,covalent,DOUB,C5,C6,,,,,26767,bmse010052,1
6,covalent,SING,C5,C8,,,,,26767,bmse010052,1
7,covalent,SING,C6,C9,,,,,26767,bmse010052,1
8,covalent,DOUB,C7,C8,,,,,26767,bmse010052,1
9,covalent,SING,C7,C10,,,,,26767,bmse010052,1
10,covalent,DOUB,C9,C10,,,,,26767,bmse010052,1
11,covalent,SING,C9,O11,,,,,26767,bmse010052,1
12,covalent,SING,C10,O12,,,,,26767,bmse010052,1
13,covalent,SING,C1,H14,,,,,26767,bmse010052,1
14,covalent,SING,C1,H13,,,,,26767,bmse010052,1
15,covalent,SING,C1,H15,,,,,26767,bmse010052,1
16,covalent,SING,C2,H16,,,,,26767,bmse010052,1
17,covalent,SING,C2,H17,,,,,26767,bmse010052,1
18,covalent,SING,C2,H18,,,,,26767,bmse010052,1
19,covalent,SING,C3,H19,,,,,26767,bmse010052,1
20,covalent,SING,C4,H20,,,,,26767,bmse010052,1
21,covalent,SING,C5,H21,,,,,26767,bmse010052,1
22,covalent,SING,C6,H22,,,,,26767,bmse010052,1
23,covalent,SING,C7,H23,,,,,26767,bmse010052,1
24,covalent,SING,O11,H24,,,,,26767,bmse010052,1
1,covalent,DOUB,C1,C3,,,,,26787,bmse010053,1
2,covalent,SING,C2,O12,,,,,26787,bmse010053,1
3,covalent,SING,C3,C4,,,,,26787,bmse010053,1
4,covalent,SING,C4,C8,,,,,26787,bmse010053,1
5,covalent,DOUB,C5,C6,,,,,26787,bmse010053,1
6,covalent,SING,C5,C8,,,,,26787,bmse010053,1
7,covalent,SING,C6,C9,,,,,26787,bmse010053,1
8,covalent,DOUB,C7,C8,,,,,26787,bmse010053,1
9,covalent,SING,C7,C10,,,,,26787,bmse010053,1
10,covalent,DOUB,C9,C10,,,,,26787,bmse010053,1
11,covalent,SING,C9,O11,,,,,26787,bmse010053,1
12,covalent,SING,C10,O12,,,,,26787,bmse010053,1
13,covalent,SING,C1,H13,,,,,26787,bmse010053,1
14,covalent,SING,C1,H14,,,,,26787,bmse010053,1
15,covalent,SING,C2,H15,,,,,26787,bmse010053,1
16,covalent,SING,C2,H16,,,,,26787,bmse010053,1
17,covalent,SING,C2,H17,,,,,26787,bmse010053,1
18,covalent,SING,C3,H18,,,,,26787,bmse010053,1
19,covalent,SING,C4,H19,,,,,26787,bmse010053,1
20,covalent,SING,C4,H20,,,,,26787,bmse010053,1
21,covalent,SING,C5,H21,,,,,26787,bmse010053,1
22,covalent,SING,C6,H22,,,,,26787,bmse010053,1
23,covalent,SING,C7,H23,,,,,26787,bmse010053,1
24,covalent,SING,O11,H24,,,,,26787,bmse010053,1
1,covalent,DOUB,C1,C4,,,,,26807,bmse010054,1
2,covalent,SING,C2,O13,,,,,26807,bmse010054,1
3,covalent,SING,C3,O14,,,,,26807,bmse010054,1
4,covalent,SING,C4,C5,,,,,26807,bmse010054,1
5,covalent,SING,C5,C8,,,,,26807,bmse010054,1
6,covalent,DOUB,C6,C8,,,,,26807,bmse010054,1
7,covalent,SING,C6,C9,,,,,26807,bmse010054,1
8,covalent,SING,C7,C8,,,,,26807,bmse010054,1
9,covalent,DOUB,C7,C10,,,,,26807,bmse010054,1
10,covalent,DOUB,C9,C11,,,,,26807,bmse010054,1
11,covalent,SING,C9,O13,,,,,26807,bmse010054,1
12,covalent,SING,C10,C11,,,,,26807,bmse010054,1
13,covalent,SING,C10,O14,,,,,26807,bmse010054,1
14,covalent,SING,C11,O12,,,,,26807,bmse010054,1
15,covalent,SING,C1,H15,,,,,26807,bmse010054,1
16,covalent,SING,C1,H16,,,,,26807,bmse010054,1
17,covalent,SING,C2,H17,,,,,26807,bmse010054,1
18,covalent,SING,C2,H19,,,,,26807,bmse010054,1
19,covalent,SING,C2,H18,,,,,26807,bmse010054,1
20,covalent,SING,C3,H20,,,,,26807,bmse010054,1
21,covalent,SING,C3,H22,,,,,26807,bmse010054,1
22,covalent,SING,C3,H21,,,,,26807,bmse010054,1
23,covalent,SING,C4,H23,,,,,26807,bmse010054,1
24,covalent,SING,C5,H24,,,,,26807,bmse010054,1
25,covalent,SING,C5,H25,,,,,26807,bmse010054,1
26,covalent,SING,C6,H26,,,,,26807,bmse010054,1
27,covalent,SING,C7,H27,,,,,26807,bmse010054,1
28,covalent,SING,O12,H28,,,,,26807,bmse010054,1
1,covalent,DOUB,C1,C4,,,,,26827,bmse010055,1
2,covalent,SING,C2,C9,,,,,26827,bmse010055,1
3,covalent,SING,C3,O14,,,,,26827,bmse010055,1
4,covalent,SING,C4,C5,,,,,26827,bmse010055,1
5,covalent,SING,C5,C10,,,,,26827,bmse010055,1
6,covalent,DOUB,C6,C7,,,,,26827,bmse010055,1
7,covalent,SING,C6,C10,,,,,26827,bmse010055,1
8,covalent,SING,C7,C11,,,,,26827,bmse010055,1
9,covalent,DOUB,C8,C10,,,,,26827,bmse010055,1
10,covalent,SING,C8,C12,,,,,26827,bmse010055,1
11,covalent,DOUB,C9,O13,,,,,26827,bmse010055,1
12,covalent,SING,C9,O15,,,,,26827,bmse010055,1
13,covalent,DOUB,C11,C12,,,,,26827,bmse010055,1
14,covalent,SING,C11,O15,,,,,26827,bmse010055,1
15,covalent,SING,C12,O14,,,,,26827,bmse010055,1
16,covalent,SING,C1,H16,,,,,26827,bmse010055,1
17,covalent,SING,C1,H17,,,,,26827,bmse010055,1
18,covalent,SING,C2,H19,,,,,26827,bmse010055,1
19,covalent,SING,C2,H18,,,,,26827,bmse010055,1
20,covalent,SING,C2,H20,,,,,26827,bmse010055,1
21,covalent,SING,C3,H21,,,,,26827,bmse010055,1
22,covalent,SING,C3,H22,,,,,26827,bmse010055,1
23,covalent,SING,C3,H23,,,,,26827,bmse010055,1
24,covalent,SING,C4,H24,,,,,26827,bmse010055,1
25,covalent,SING,C5,H25,,,,,26827,bmse010055,1
26,covalent,SING,C5,H26,,,,,26827,bmse010055,1
27,covalent,SING,C6,H27,,,,,26827,bmse010055,1
28,covalent,SING,C7,H28,,,,,26827,bmse010055,1
29,covalent,SING,C8,H29,,,,,26827,bmse010055,1
1,covalent,DOUB,C1,C5,,,,,26847,bmse010056,1
2,covalent,SING,C2,C9,,,,,26847,bmse010056,1
3,covalent,SING,C3,O15,,,,,26847,bmse010056,1
4,covalent,SING,C4,O16,,,,,26847,bmse010056,1
5,covalent,SING,C5,C6,,,,,26847,bmse010056,1
6,covalent,SING,C6,C10,,,,,26847,bmse010056,1
7,covalent,DOUB,C7,C10,,,,,26847,bmse010056,1
8,covalent,SING,C7,C11,,,,,26847,bmse010056,1
9,covalent,SING,C8,C10,,,,,26847,bmse010056,1
10,covalent,DOUB,C8,C12,,,,,26847,bmse010056,1
11,covalent,DOUB,C9,O14,,,,,26847,bmse010056,1
12,covalent,SING,C9,O17,,,,,26847,bmse010056,1
13,covalent,DOUB,C11,C13,,,,,26847,bmse010056,1
14,covalent,SING,C11,O15,,,,,26847,bmse010056,1
15,covalent,SING,C12,C13,,,,,26847,bmse010056,1
16,covalent,SING,C12,O16,,,,,26847,bmse010056,1
17,covalent,SING,C13,O17,,,,,26847,bmse010056,1
18,covalent,SING,C1,H18,,,,,26847,bmse010056,1
19,covalent,SING,C1,H19,,,,,26847,bmse010056,1
20,covalent,SING,C2,H21,,,,,26847,bmse010056,1
21,covalent,SING,C2,H20,,,,,26847,bmse010056,1
22,covalent,SING,C2,H22,,,,,26847,bmse010056,1
23,covalent,SING,C3,H25,,,,,26847,bmse010056,1
24,covalent,SING,C3,H24,,,,,26847,bmse010056,1
25,covalent,SING,C3,H23,,,,,26847,bmse010056,1
26,covalent,SING,C4,H27,,,,,26847,bmse010056,1
27,covalent,SING,C4,H26,,,,,26847,bmse010056,1
28,covalent,SING,C4,H28,,,,,26847,bmse010056,1
29,covalent,SING,C5,H29,,,,,26847,bmse010056,1
30,covalent,SING,C6,H30,,,,,26847,bmse010056,1
31,covalent,SING,C6,H31,,,,,26847,bmse010056,1
32,covalent,SING,C7,H32,,,,,26847,bmse010056,1
33,covalent,SING,C8,H33,,,,,26847,bmse010056,1
1,covalent,SING,C1,O25,,,,,26867,bmse010057,1
2,covalent,SING,C2,O26,,,,,26867,bmse010057,1
3,covalent,SING,C3,O27,,,,,26867,bmse010057,1
4,covalent,SING,C4,O28,,,,,26867,bmse010057,1
5,covalent,DOUB,C5,C11,,,,,26867,bmse010057,1
6,covalent,SING,C5,C15,,,,,26867,bmse010057,1
7,covalent,SING,C6,C11,,,,,26867,bmse010057,1
8,covalent,DOUB,C6,C16,,,,,26867,bmse010057,1
9,covalent,DOUB,C7,C12,,,,,26867,bmse010057,1
10,covalent,SING,C7,C17,,,,,26867,bmse010057,1
11,covalent,SING,C8,C12,,,,,26867,bmse010057,1
12,covalent,DOUB,C8,C18,,,,,26867,bmse010057,1
13,covalent,SING,C9,C13,,,,,26867,bmse010057,1
14,covalent,SING,C9,O30,,,,,26867,bmse010057,1
15,covalent,SING,C10,C14,,,,,26867,bmse010057,1
16,covalent,SING,C10,O29,,,,,26867,bmse010057,1
17,covalent,SING,C11,C21,,,,,26867,bmse010057,1
18,covalent,SING,C12,C22,,,,,26867,bmse010057,1
19,covalent,SING,C13,C14,,,,,26867,bmse010057,1
20,covalent,SING,C13,C21,,,,,26867,bmse010057,1
21,covalent,SING,C14,C22,,,,,26867,bmse010057,1
22,covalent,DOUB,C15,C19,,,,,26867,bmse010057,1
23,covalent,SING,C15,O25,,,,,26867,bmse010057,1
24,covalent,SING,C16,C19,,,,,26867,bmse010057,1
25,covalent,SING,C16,O26,,,,,26867,bmse010057,1
26,covalent,DOUB,C17,C20,,,,,26867,bmse010057,1
27,covalent,SING,C17,O27,,,,,26867,bmse010057,1
28,covalent,SING,C18,C20,,,,,26867,bmse010057,1
29,covalent,SING,C18,O28,,,,,26867,bmse010057,1
30,covalent,SING,C19,O23,,,,,26867,bmse010057,1
31,covalent,SING,C20,O24,,,,,26867,bmse010057,1
32,covalent,SING,C21,O29,,,,,26867,bmse010057,1
33,covalent,SING,C22,O30,,,,,26867,bmse010057,1
34,covalent,SING,C1,H31,,,,,26867,bmse010057,1
35,covalent,SING,C1,H33,,,,,26867,bmse010057,1
36,covalent,SING,C1,H32,,,,,26867,bmse010057,1
37,covalent,SING,C2,H34,,,,,26867,bmse010057,1
38,covalent,SING,C2,H35,,,,,26867,bmse010057,1
39,covalent,SING,C2,H36,,,,,26867,bmse010057,1
40,covalent,SING,C3,H39,,,,,26867,bmse010057,1
41,covalent,SING,C3,H37,,,,,26867,bmse010057,1
42,covalent,SING,C3,H38,,,,,26867,bmse010057,1
43,covalent,SING,C4,H42,,,,,26867,bmse010057,1
44,covalent,SING,C4,H41,,,,,26867,bmse010057,1
45,covalent,SING,C4,H40,,,,,26867,bmse010057,1
46,covalent,SING,C5,H43,,,,,26867,bmse010057,1
47,covalent,SING,C6,H44,,,,,26867,bmse010057,1
48,covalent,SING,C7,H45,,,,,26867,bmse010057,1
49,covalent,SING,C8,H46,,,,,26867,bmse010057,1
50,covalent,SING,C9,H47,,,,,26867,bmse010057,1
51,covalent,SING,C9,H48,,,,,26867,bmse010057,1
52,covalent,SING,C10,H49,,,,,26867,bmse010057,1
53,covalent,SING,C10,H50,,,,,26867,bmse010057,1
54,covalent,SING,C13,H51,,,,,26867,bmse010057,1
55,covalent,SING,C14,H52,,,,,26867,bmse010057,1
56,covalent,SING,C21,H53,,,,,26867,bmse010057,1
57,covalent,SING,C22,H54,,,,,26867,bmse010057,1
58,covalent,SING,O23,H55,,,,,26867,bmse010057,1
59,covalent,SING,O24,H56,,,,,26867,bmse010057,1
1,covalent,SING,C1,C14,,,,,26887,bmse010058,1
2,covalent,SING,C2,C15,,,,,26887,bmse010058,1
3,covalent,SING,C3,C16,,,,,26887,bmse010058,1
4,covalent,SING,C4,C17,,,,,26887,bmse010058,1
5,covalent,SING,C5,C18,,,,,26887,bmse010058,1
6,covalent,SING,C6,O32,,,,,26887,bmse010058,1
7,covalent,DOUB,C7,C8,,,,,26887,bmse010058,1
8,covalent,SING,C7,C11,,,,,26887,bmse010058,1
9,covalent,SING,C8,C19,,,,,26887,bmse010058,1
10,covalent,DOUB,C9,C10,,,,,26887,bmse010058,1
11,covalent,SING,C9,C19,,,,,26887,bmse010058,1
12,covalent,SING,C10,C20,,,,,26887,bmse010058,1
13,covalent,SING,C11,O33,,,,,26887,bmse010058,1
14,covalent,DOUB,C12,C19,,,,,26887,bmse010058,1
15,covalent,SING,C12,C21,,,,,26887,bmse010058,1
16,covalent,SING,C22,C13,,,,,26887,bmse010058,1
17,covalent,SING,C13,O34,,,,,26887,bmse010058,1
18,covalent,DOUB,C14,O27,,,,,26887,bmse010058,1
19,covalent,SING,C14,O33,,,,,26887,bmse010058,1
20,covalent,DOUB,C15,O28,,,,,26887,bmse010058,1
21,covalent,SING,C15,O34,,,,,26887,bmse010058,1
22,covalent,DOUB,C16,O29,,,,,26887,bmse010058,1
23,covalent,SING,C16,O35,,,,,26887,bmse010058,1
24,covalent,DOUB,C17,O30,,,,,26887,bmse010058,1
25,covalent,SING,C17,O36,,,,,26887,bmse010058,1
26,covalent,DOUB,C18,O31,,,,,26887,bmse010058,1
27,covalent,SING,C18,O37,,,,,26887,bmse010058,1
28,covalent,DOUB,C20,C21,,,,,26887,bmse010058,1
29,covalent,SING,C20,O38,,,,,26887,bmse010058,1
30,covalent,SING,C21,O32,,,,,26887,bmse010058,1
31,covalent,SING,C22,C23,,,,,26887,bmse010058,1
32,covalent,SING,C22,O39,,,,,26887,bmse010058,1
33,covalent,SING,C23,C24,,,,,26887,bmse010058,1
34,covalent,SING,C23,O35,,,,,26887,bmse010058,1
35,covalent,SING,C24,C25,,,,,26887,bmse010058,1
36,covalent,SING,C24,O36,,,,,26887,bmse010058,1
37,covalent,SING,C25,C26,,,,,26887,bmse010058,1
38,covalent,SING,C25,O37,,,,,26887,bmse010058,1
39,covalent,SING,C26,O38,,,,,26887,bmse010058,1
40,covalent,SING,C26,O39,,,,,26887,bmse010058,1
41,covalent,SING,C1,H41,,,,,26887,bmse010058,1
42,covalent,SING,C1,H42,,,,,26887,bmse010058,1
43,covalent,SING,C1,H40,,,,,26887,bmse010058,1
44,covalent,SING,C2,H45,,,,,26887,bmse010058,1
45,covalent,SING,C2,H44,,,,,26887,bmse010058,1
46,covalent,SING,C2,H43,,,,,26887,bmse010058,1
47,covalent,SING,C3,H48,,,,,26887,bmse010058,1
48,covalent,SING,C3,H47,,,,,26887,bmse010058,1
49,covalent,SING,C3,H46,,,,,26887,bmse010058,1
50,covalent,SING,C4,H50,,,,,26887,bmse010058,1
51,covalent,SING,C4,H49,,,,,26887,bmse010058,1
52,covalent,SING,C4,H51,,,,,26887,bmse010058,1
53,covalent,SING,C5,H54,,,,,26887,bmse010058,1
54,covalent,SING,C5,H52,,,,,26887,bmse010058,1
55,covalent,SING,C5,H53,,,,,26887,bmse010058,1
56,covalent,SING,C6,H56,,,,,26887,bmse010058,1
57,covalent,SING,C6,H55,,,,,26887,bmse010058,1
58,covalent,SING,C6,H57,,,,,26887,bmse010058,1
59,covalent,SING,C7,H58,,,,,26887,bmse010058,1
60,covalent,SING,C8,H59,,,,,26887,bmse010058,1
61,covalent,SING,C9,H60,,,,,26887,bmse010058,1
62,covalent,SING,C10,H61,,,,,26887,bmse010058,1
63,covalent,SING,C11,H62,,,,,26887,bmse010058,1
64,covalent,SING,C11,H63,,,,,26887,bmse010058,1
65,covalent,SING,C12,H64,,,,,26887,bmse010058,1
66,covalent,SING,C13,H65,,,,,26887,bmse010058,1
67,covalent,SING,C13,H66,,,,,26887,bmse010058,1
68,covalent,SING,C22,H67,,,,,26887,bmse010058,1
69,covalent,SING,C23,H68,,,,,26887,bmse010058,1
70,covalent,SING,C24,H69,,,,,26887,bmse010058,1
71,covalent,SING,C25,H70,,,,,26887,bmse010058,1
72,covalent,SING,C26,H71,,,,,26887,bmse010058,1
1,covalent,SING,C1,C14,,,,,26907,bmse010059,1
2,covalent,SING,C2,C15,,,,,26907,bmse010059,1
3,covalent,SING,C3,C16,,,,,26907,bmse010059,1
4,covalent,SING,C4,C17,,,,,26907,bmse010059,1
5,covalent,SING,C5,C18,,,,,26907,bmse010059,1
6,covalent,SING,C6,O33,,,,,26907,bmse010059,1
7,covalent,SING,C7,O34,,,,,26907,bmse010059,1
8,covalent,DOUB,C8,C9,,,,,26907,bmse010059,1
9,covalent,SING,C8,C10,,,,,26907,bmse010059,1
10,covalent,SING,C9,C19,,,,,26907,bmse010059,1
11,covalent,SING,C10,O35,,,,,26907,bmse010059,1
12,covalent,DOUB,C11,C19,,,,,26907,bmse010059,1
13,covalent,SING,C11,C20,,,,,26907,bmse010059,1
14,covalent,SING,C12,C19,,,,,26907,bmse010059,1
15,covalent,DOUB,C12,C21,,,,,26907,bmse010059,1
16,covalent,SING,C22,C13,,,,,26907,bmse010059,1
17,covalent,SING,C13,O36,,,,,26907,bmse010059,1
18,covalent,DOUB,C14,O28,,,,,26907,bmse010059,1
19,covalent,SING,C14,O35,,,,,26907,bmse010059,1
20,covalent,DOUB,C15,O29,,,,,26907,bmse010059,1
21,covalent,SING,C15,O36,,,,,26907,bmse010059,1
22,covalent,DOUB,C16,O30,,,,,26907,bmse010059,1
23,covalent,SING,C16,O37,,,,,26907,bmse010059,1
24,covalent,DOUB,C17,O31,,,,,26907,bmse010059,1
25,covalent,SING,C17,O38,,,,,26907,bmse010059,1
26,covalent,DOUB,C18,O32,,,,,26907,bmse010059,1
27,covalent,SING,C18,O39,,,,,26907,bmse010059,1
28,covalent,DOUB,C20,C23,,,,,26907,bmse010059,1
29,covalent,SING,C20,O33,,,,,26907,bmse010059,1
30,covalent,SING,C21,C23,,,,,26907,bmse010059,1
31,covalent,SING,C21,O34,,,,,26907,bmse010059,1
32,covalent,SING,C22,C24,,,,,26907,bmse010059,1
33,covalent,SING,C22,O40,,,,,26907,bmse010059,1
34,covalent,SING,C23,O41,,,,,26907,bmse010059,1
35,covalent,SING,C24,C25,,,,,26907,bmse010059,1
36,covalent,SING,C24,O37,,,,,26907,bmse010059,1
37,covalent,SING,C25,C26,,,,,26907,bmse010059,1
38,covalent,SING,C25,O38,,,,,26907,bmse010059,1
39,covalent,SING,C26,C27,,,,,26907,bmse010059,1
40,covalent,SING,C26,O39,,,,,26907,bmse010059,1
41,covalent,SING,C27,O40,,,,,26907,bmse010059,1
42,covalent,SING,C27,O41,,,,,26907,bmse010059,1
43,covalent,SING,C1,H43,,,,,26907,bmse010059,1
44,covalent,SING,C1,H42,,,,,26907,bmse010059,1
45,covalent,SING,C1,H44,,,,,26907,bmse010059,1
46,covalent,SING,C2,H46,,,,,26907,bmse010059,1
47,covalent,SING,C2,H45,,,,,26907,bmse010059,1
48,covalent,SING,C2,H47,,,,,26907,bmse010059,1
49,covalent,SING,C3,H49,,,,,26907,bmse010059,1
50,covalent,SING,C3,H50,,,,,26907,bmse010059,1
51,covalent,SING,C3,H48,,,,,26907,bmse010059,1
52,covalent,SING,C4,H51,,,,,26907,bmse010059,1
53,covalent,SING,C4,H52,,,,,26907,bmse010059,1
54,covalent,SING,C4,H53,,,,,26907,bmse010059,1
55,covalent,SING,C5,H56,,,,,26907,bmse010059,1
56,covalent,SING,C5,H54,,,,,26907,bmse010059,1
57,covalent,SING,C5,H55,,,,,26907,bmse010059,1
58,covalent,SING,C6,H57,,,,,26907,bmse010059,1
59,covalent,SING,C6,H59,,,,,26907,bmse010059,1
60,covalent,SING,C6,H58,,,,,26907,bmse010059,1
61,covalent,SING,C7,H61,,,,,26907,bmse010059,1
62,covalent,SING,C7,H62,,,,,26907,bmse010059,1
63,covalent,SING,C7,H60,,,,,26907,bmse010059,1
64,covalent,SING,C8,H63,,,,,26907,bmse010059,1
65,covalent,SING,C9,H64,,,,,26907,bmse010059,1
66,covalent,SING,C10,H65,,,,,26907,bmse010059,1
67,covalent,SING,C10,H66,,,,,26907,bmse010059,1
68,covalent,SING,C11,H67,,,,,26907,bmse010059,1
69,covalent,SING,C12,H68,,,,,26907,bmse010059,1
70,covalent,SING,C13,H69,,,,,26907,bmse010059,1
71,covalent,SING,C13,H70,,,,,26907,bmse010059,1
72,covalent,SING,C22,H71,,,,,26907,bmse010059,1
73,covalent,SING,C24,H72,,,,,26907,bmse010059,1
74,covalent,SING,C25,H73,,,,,26907,bmse010059,1
75,covalent,SING,C26,H74,,,,,26907,bmse010059,1
76,covalent,SING,C27,H75,,,,,26907,bmse010059,1
1,covalent,SING,C1,C13,,,,,26927,bmse010060,1
2,covalent,SING,C2,C14,,,,,26927,bmse010060,1
3,covalent,SING,C3,O29,,,,,26927,bmse010060,1
4,covalent,SING,C4,O30,,,,,26927,bmse010060,1
5,covalent,SING,C5,O31,,,,,26927,bmse010060,1
6,covalent,SING,C6,O32,,,,,26927,bmse010060,1
7,covalent,DOUB,C7,C15,,,,,26927,bmse010060,1
8,covalent,SING,C7,C19,,,,,26927,bmse010060,1
9,covalent,SING,C8,C15,,,,,26927,bmse010060,1
10,covalent,DOUB,C8,C20,,,,,26927,bmse010060,1
11,covalent,DOUB,C9,C16,,,,,26927,bmse010060,1
12,covalent,SING,C9,C21,,,,,26927,bmse010060,1
13,covalent,SING,C10,C16,,,,,26927,bmse010060,1
14,covalent,DOUB,C10,C22,,,,,26927,bmse010060,1
15,covalent,SING,C11,C17,,,,,26927,bmse010060,1
16,covalent,SING,C11,O34,,,,,26927,bmse010060,1
17,covalent,SING,C12,C18,,,,,26927,bmse010060,1
18,covalent,SING,C12,O33,,,,,26927,bmse010060,1
19,covalent,DOUB,C13,O27,,,,,26927,bmse010060,1
20,covalent,SING,C13,O35,,,,,26927,bmse010060,1
21,covalent,DOUB,C14,O28,,,,,26927,bmse010060,1
22,covalent,SING,C14,O36,,,,,26927,bmse010060,1
23,covalent,SING,C15,C23,,,,,26927,bmse010060,1
24,covalent,SING,C16,C24,,,,,26927,bmse010060,1
25,covalent,SING,C17,C18,,,,,26927,bmse010060,1
26,covalent,SING,C17,C23,,,,,26927,bmse010060,1
27,covalent,SING,C18,C24,,,,,26927,bmse010060,1
28,covalent,DOUB,C19,C25,,,,,26927,bmse010060,1
29,covalent,SING,C19,O29,,,,,26927,bmse010060,1
30,covalent,SING,C20,C25,,,,,26927,bmse010060,1
31,covalent,SING,C20,O30,,,,,26927,bmse010060,1
32,covalent,DOUB,C21,C26,,,,,26927,bmse010060,1
33,covalent,SING,C21,O31,,,,,26927,bmse010060,1
34,covalent,SING,C22,C26,,,,,26927,bmse010060,1
35,covalent,SING,C22,O32,,,,,26927,bmse010060,1
36,covalent,SING,C23,O33,,,,,26927,bmse010060,1
37,covalent,SING,C24,O34,,,,,26927,bmse010060,1
38,covalent,SING,C25,O35,,,,,26927,bmse010060,1
39,covalent,SING,C26,O36,,,,,26927,bmse010060,1
40,covalent,SING,C1,H37,,,,,26927,bmse010060,1
41,covalent,SING,C1,H38,,,,,26927,bmse010060,1
42,covalent,SING,C1,H39,,,,,26927,bmse010060,1
43,covalent,SING,C2,H40,,,,,26927,bmse010060,1
44,covalent,SING,C2,H41,,,,,26927,bmse010060,1
45,covalent,SING,C2,H42,,,,,26927,bmse010060,1
46,covalent,SING,C3,H43,,,,,26927,bmse010060,1
47,covalent,SING,C3,H44,,,,,26927,bmse010060,1
48,covalent,SING,C3,H45,,,,,26927,bmse010060,1
49,covalent,SING,C4,H46,,,,,26927,bmse010060,1
50,covalent,SING,C4,H47,,,,,26927,bmse010060,1
51,covalent,SING,C4,H48,,,,,26927,bmse010060,1
52,covalent,SING,C5,H49,,,,,26927,bmse010060,1
53,covalent,SING,C5,H50,,,,,26927,bmse010060,1
54,covalent,SING,C5,H51,,,,,26927,bmse010060,1
55,covalent,SING,C6,H52,,,,,26927,bmse010060,1
56,covalent,SING,C6,H53,,,,,26927,bmse010060,1
57,covalent,SING,C6,H54,,,,,26927,bmse010060,1
58,covalent,SING,C7,H55,,,,,26927,bmse010060,1
59,covalent,SING,C8,H56,,,,,26927,bmse010060,1
60,covalent,SING,C9,H57,,,,,26927,bmse010060,1
61,covalent,SING,C10,H58,,,,,26927,bmse010060,1
62,covalent,SING,C11,H59,,,,,26927,bmse010060,1
63,covalent,SING,C11,H60,,,,,26927,bmse010060,1
64,covalent,SING,C12,H61,,,,,26927,bmse010060,1
65,covalent,SING,C12,H62,,,,,26927,bmse010060,1
66,covalent,SING,C17,H63,,,,,26927,bmse010060,1
67,covalent,SING,C18,H64,,,,,26927,bmse010060,1
68,covalent,SING,C23,H65,,,,,26927,bmse010060,1
69,covalent,SING,C24,H66,,,,,26927,bmse010060,1
1,covalent,SING,C1,O14,,,,,26947,bmse010061,1
2,covalent,DOUB,C2,C4,,,,,26947,bmse010061,1
3,covalent,SING,C2,C7,,,,,26947,bmse010061,1
4,covalent,DOUB,C3,C5,,,,,26947,bmse010061,1
5,covalent,SING,C3,C7,,,,,26947,bmse010061,1
6,covalent,SING,C4,C8,,,,,26947,bmse010061,1
7,covalent,SING,C5,C10,,,,,26947,bmse010061,1
8,covalent,DOUB,C6,C7,,,,,26947,bmse010061,1
9,covalent,SING,C6,C9,,,,,26947,bmse010061,1
10,covalent,DOUB,C8,C9,,,,,26947,bmse010061,1
11,covalent,SING,C8,O11,,,,,26947,bmse010061,1
12,covalent,SING,C9,O14,,,,,26947,bmse010061,1
13,covalent,SING,C10,O12,,,,,26947,bmse010061,1
14,covalent,DOUB,C10,O13,,,,,26947,bmse010061,1
15,covalent,SING,C1,H15,,,,,26947,bmse010061,1
16,covalent,SING,C1,H16,,,,,26947,bmse010061,1
17,covalent,SING,C1,H17,,,,,26947,bmse010061,1
18,covalent,SING,C2,H18,,,,,26947,bmse010061,1
19,covalent,SING,C3,H19,,,,,26947,bmse010061,1
20,covalent,SING,C4,H20,,,,,26947,bmse010061,1
21,covalent,SING,C5,H21,,,,,26947,bmse010061,1
22,covalent,SING,C6,H22,,,,,26947,bmse010061,1
23,covalent,SING,O11,H23,,,,,26947,bmse010061,1
24,covalent,SING,O12,H24,,,,,26947,bmse010061,1
1,covalent,DOUB,C1,C2,,,,,26970,bmse010062,1
2,covalent,SING,C1,C3,,,,,26970,bmse010062,1
3,covalent,SING,C2,C4,,,,,26970,bmse010062,1
4,covalent,DOUB,C3,C5,,,,,26970,bmse010062,1
5,covalent,DOUB,C4,C13,,,,,26970,bmse010062,1
6,covalent,SING,C5,C13,,,,,26970,bmse010062,1
7,covalent,SING,C6,C8,,,,,26970,bmse010062,1
8,covalent,DOUB,C6,C11,,,,,26970,bmse010062,1
9,covalent,DOUB,C7,C9,,,,,26970,bmse010062,1
10,covalent,SING,C7,C11,,,,,26970,bmse010062,1
11,covalent,DOUB,C8,C12,,,,,26970,bmse010062,1
12,covalent,SING,C9,C12,,,,,26970,bmse010062,1
13,covalent,SING,C10,C14,,,,,26970,bmse010062,1
14,covalent,SING,C10,O17,,,,,26970,bmse010062,1
15,covalent,SING,C11,C14,,,,,26970,bmse010062,1
16,covalent,SING,C12,O15,,,,,26970,bmse010062,1
17,covalent,SING,C13,O17,,,,,26970,bmse010062,1
18,covalent,SING,C14,O16,,,,,26970,bmse010062,1
19,covalent,SING,C1,H18,,,,,26970,bmse010062,1
20,covalent,SING,C2,H19,,,,,26970,bmse010062,1
21,covalent,SING,C3,H20,,,,,26970,bmse010062,1
22,covalent,SING,C4,H21,,,,,26970,bmse010062,1
23,covalent,SING,C5,H22,,,,,26970,bmse010062,1
24,covalent,SING,C6,H23,,,,,26970,bmse010062,1
25,covalent,SING,C7,H24,,,,,26970,bmse010062,1
26,covalent,SING,C8,H25,,,,,26970,bmse010062,1
27,covalent,SING,C9,H26,,,,,26970,bmse010062,1
28,covalent,SING,C10,H27,,,,,26970,bmse010062,1
29,covalent,SING,C10,H28,,,,,26970,bmse010062,1
30,covalent,SING,C14,H29,,,,,26970,bmse010062,1
31,covalent,SING,O15,H30,,,,,26970,bmse010062,1
32,covalent,SING,O16,H31,,,,,26970,bmse010062,1
1,covalent,SING,C1,O19,,,,,26990,bmse010063,1
2,covalent,SING,C2,O20,,,,,26990,bmse010063,1
3,covalent,DOUB,C3,C4,,,,,26990,bmse010063,1
4,covalent,SING,C3,C5,,,,,26990,bmse010063,1
5,covalent,SING,C4,C6,,,,,26990,bmse010063,1
6,covalent,DOUB,C5,C14,,,,,26990,bmse010063,1
7,covalent,DOUB,C6,C15,,,,,26990,bmse010063,1
8,covalent,DOUB,C7,C8,,,,,26990,bmse010063,1
9,covalent,SING,C7,C11,,,,,26990,bmse010063,1
10,covalent,SING,C8,C12,,,,,26990,bmse010063,1
11,covalent,DOUB,C9,C11,,,,,26990,bmse010063,1
12,covalent,SING,C9,C16,,,,,26990,bmse010063,1
13,covalent,SING,C10,C13,,,,,26990,bmse010063,1
14,covalent,SING,C10,O21,,,,,26990,bmse010063,1
15,covalent,SING,C11,C13,,,,,26990,bmse010063,1
16,covalent,DOUB,C12,C16,,,,,26990,bmse010063,1
17,covalent,SING,C12,O17,,,,,26990,bmse010063,1
18,covalent,SING,C13,O18,,,,,26990,bmse010063,1
19,covalent,SING,C14,C15,,,,,26990,bmse010063,1
20,covalent,SING,C14,O19,,,,,26990,bmse010063,1
21,covalent,SING,C15,O21,,,,,26990,bmse010063,1
22,covalent,SING,C16,O20,,,,,26990,bmse010063,1
23,covalent,SING,C1,H23,,,,,26990,bmse010063,1
24,covalent,SING,C1,H22,,,,,26990,bmse010063,1
25,covalent,SING,C1,H24,,,,,26990,bmse010063,1
26,covalent,SING,C2,H27,,,,,26990,bmse010063,1
27,covalent,SING,C2,H26,,,,,26990,bmse010063,1
28,covalent,SING,C2,H25,,,,,26990,bmse010063,1
29,covalent,SING,C3,H28,,,,,26990,bmse010063,1
30,covalent,SING,C4,H29,,,,,26990,bmse010063,1
31,covalent,SING,C5,H30,,,,,26990,bmse010063,1
32,covalent,SING,C6,H31,,,,,26990,bmse010063,1
33,covalent,SING,C7,H32,,,,,26990,bmse010063,1
34,covalent,SING,C8,H33,,,,,26990,bmse010063,1
35,covalent,SING,C9,H34,,,,,26990,bmse010063,1
36,covalent,SING,C10,H35,,,,,26990,bmse010063,1
37,covalent,SING,C10,H36,,,,,26990,bmse010063,1
38,covalent,SING,C13,H37,,,,,26990,bmse010063,1
39,covalent,SING,O17,H38,,,,,26990,bmse010063,1
40,covalent,SING,O18,H39,,,,,26990,bmse010063,1
1,covalent,SING,C1,C4,,,,,27010,bmse010064,1
2,covalent,DOUB,C1,C7,,,,,27010,bmse010064,1
3,covalent,DOUB,C2,C5,,,,,27010,bmse010064,1
4,covalent,SING,C2,C7,,,,,27010,bmse010064,1
5,covalent,SING,C3,C6,,,,,27010,bmse010064,1
6,covalent,SING,C3,C7,,,,,27010,bmse010064,1
7,covalent,DOUB,C4,C8,,,,,27010,bmse010064,1
8,covalent,SING,C5,C8,,,,,27010,bmse010064,1
9,covalent,SING,C6,C9,,,,,27010,bmse010064,1
10,covalent,SING,C8,O10,,,,,27010,bmse010064,1
11,covalent,SING,C9,O11,,,,,27010,bmse010064,1
12,covalent,DOUB,C9,O12,,,,,27010,bmse010064,1
13,covalent,SING,C1,H13,,,,,27010,bmse010064,1
14,covalent,SING,C2,H14,,,,,27010,bmse010064,1
15,covalent,SING,C3,H15,,,,,27010,bmse010064,1
16,covalent,SING,C3,H16,,,,,27010,bmse010064,1
17,covalent,SING,C4,H17,,,,,27010,bmse010064,1
18,covalent,SING,C5,H18,,,,,27010,bmse010064,1
19,covalent,SING,C6,H19,,,,,27010,bmse010064,1
20,covalent,SING,C6,H20,,,,,27010,bmse010064,1
21,covalent,SING,O10,H21,,,,,27010,bmse010064,1
22,covalent,SING,O11,H22,,,,,27010,bmse010064,1
1,covalent,SING,C1,C8,,,,,27030,bmse010065,1
2,covalent,SING,C2,C5,,,,,27030,bmse010065,1
3,covalent,DOUB,C2,C9,,,,,27030,bmse010065,1
4,covalent,DOUB,C3,C6,,,,,27030,bmse010065,1
5,covalent,SING,C3,C9,,,,,27030,bmse010065,1
6,covalent,SING,C4,C7,,,,,27030,bmse010065,1
7,covalent,SING,C4,C9,,,,,27030,bmse010065,1
8,covalent,DOUB,C5,C10,,,,,27030,bmse010065,1
9,covalent,SING,C6,C10,,,,,27030,bmse010065,1
10,covalent,SING,C7,C11,,,,,27030,bmse010065,1
11,covalent,DOUB,C8,O12,,,,,27030,bmse010065,1
12,covalent,SING,C8,O15,,,,,27030,bmse010065,1
13,covalent,SING,C10,O15,,,,,27030,bmse010065,1
14,covalent,SING,C11,O13,,,,,27030,bmse010065,1
15,covalent,DOUB,C11,O14,,,,,27030,bmse010065,1
16,covalent,SING,C1,H16,,,,,27030,bmse010065,1
17,covalent,SING,C1,H17,,,,,27030,bmse010065,1
18,covalent,SING,C1,H18,,,,,27030,bmse010065,1
19,covalent,SING,C2,H19,,,,,27030,bmse010065,1
20,covalent,SING,C3,H20,,,,,27030,bmse010065,1
21,covalent,SING,C4,H21,,,,,27030,bmse010065,1
22,covalent,SING,C4,H22,,,,,27030,bmse010065,1
23,covalent,SING,C5,H23,,,,,27030,bmse010065,1
24,covalent,SING,C6,H24,,,,,27030,bmse010065,1
25,covalent,SING,C7,H25,,,,,27030,bmse010065,1
26,covalent,SING,C7,H26,,,,,27030,bmse010065,1
27,covalent,SING,O13,H27,,,,,27030,bmse010065,1
1,covalent,SING,C1,C8,,,,,27050,bmse010066,1
2,covalent,SING,C2,C5,,,,,27050,bmse010066,1
3,covalent,DOUB,C2,C9,,,,,27050,bmse010066,1
4,covalent,DOUB,C3,C6,,,,,27050,bmse010066,1
5,covalent,SING,C3,C9,,,,,27050,bmse010066,1
6,covalent,DOUB,C4,C7,,,,,27050,bmse010066,1
7,covalent,SING,C4,C9,,,,,27050,bmse010066,1
8,covalent,DOUB,C5,C10,,,,,27050,bmse010066,1
9,covalent,SING,C6,C10,,,,,27050,bmse010066,1
10,covalent,SING,C7,C11,,,,,27050,bmse010066,1
11,covalent,DOUB,C8,O12,,,,,27050,bmse010066,1
12,covalent,SING,C8,O15,,,,,27050,bmse010066,1
13,covalent,SING,C10,O15,,,,,27050,bmse010066,1
14,covalent,SING,C11,O13,,,,,27050,bmse010066,1
15,covalent,DOUB,C11,O14,,,,,27050,bmse010066,1
16,covalent,SING,C1,H16,,,,,27050,bmse010066,1
17,covalent,SING,C1,H17,,,,,27050,bmse010066,1
18,covalent,SING,C1,H18,,,,,27050,bmse010066,1
19,covalent,SING,C2,H19,,,,,27050,bmse010066,1
20,covalent,SING,C3,H20,,,,,27050,bmse010066,1
21,covalent,SING,C4,H21,,,,,27050,bmse010066,1
22,covalent,SING,C5,H22,,,,,27050,bmse010066,1
23,covalent,SING,C6,H23,,,,,27050,bmse010066,1
24,covalent,SING,C7,H24,,,,,27050,bmse010066,1
25,covalent,SING,O13,H25,,,,,27050,bmse010066,1
1,covalent,SING,C1,C7,,,,,27070,bmse010067,1
2,covalent,SING,C2,C8,,,,,27070,bmse010067,1
3,covalent,SING,C3,O17,,,,,27070,bmse010067,1
4,covalent,SING,C4,O18,,,,,27070,bmse010067,1
5,covalent,DOUB,C5,C9,,,,,27070,bmse010067,1
6,covalent,SING,C5,C10,,,,,27070,bmse010067,1
7,covalent,SING,C6,C9,,,,,27070,bmse010067,1
8,covalent,DOUB,C6,C11,,,,,27070,bmse010067,1
9,covalent,SING,C7,C12,,,,,27070,bmse010067,1
10,covalent,SING,C7,O19,,,,,27070,bmse010067,1
11,covalent,DOUB,C8,O14,,,,,27070,bmse010067,1
12,covalent,SING,C8,O19,,,,,27070,bmse010067,1
13,covalent,SING,C9,C12,,,,,27070,bmse010067,1
14,covalent,DOUB,C10,C13,,,,,27070,bmse010067,1
15,covalent,SING,C10,O17,,,,,27070,bmse010067,1
16,covalent,SING,C11,C13,,,,,27070,bmse010067,1
17,covalent,SING,C11,O18,,,,,27070,bmse010067,1
18,covalent,DOUB,C12,O15,,,,,27070,bmse010067,1
19,covalent,SING,C13,O16,,,,,27070,bmse010067,1
20,covalent,SING,C1,H20,,,,,27070,bmse010067,1
21,covalent,SING,C1,H22,,,,,27070,bmse010067,1
22,covalent,SING,C1,H21,,,,,27070,bmse010067,1
23,covalent,SING,C2,H25,,,,,27070,bmse010067,1
24,covalent,SING,C2,H23,,,,,27070,bmse010067,1
25,covalent,SING,C2,H24,,,,,27070,bmse010067,1
26,covalent,SING,C3,H28,,,,,27070,bmse010067,1
27,covalent,SING,C3,H27,,,,,27070,bmse010067,1
28,covalent,SING,C3,H26,,,,,27070,bmse010067,1
29,covalent,SING,C4,H29,,,,,27070,bmse010067,1
30,covalent,SING,C4,H31,,,,,27070,bmse010067,1
31,covalent,SING,C4,H30,,,,,27070,bmse010067,1
32,covalent,SING,C5,H32,,,,,27070,bmse010067,1
33,covalent,SING,C6,H33,,,,,27070,bmse010067,1
34,covalent,SING,C7,H34,,,,,27070,bmse010067,1
35,covalent,SING,O16,H35,,,,,27070,bmse010067,1
1,covalent,SING,C1,C11,,,,,27090,bmse010068,1
2,covalent,SING,C2,O21,,,,,27090,bmse010068,1
3,covalent,SING,C3,C6,,,,,27090,bmse010068,1
4,covalent,DOUB,C3,C12,,,,,27090,bmse010068,1
5,covalent,DOUB,C4,C7,,,,,27090,bmse010068,1
6,covalent,SING,C4,C12,,,,,27090,bmse010068,1
7,covalent,DOUB,C5,C8,,,,,27090,bmse010068,1
8,covalent,SING,C5,C13,,,,,27090,bmse010068,1
9,covalent,DOUB,C6,C14,,,,,27090,bmse010068,1
10,covalent,SING,C7,C14,,,,,27090,bmse010068,1
11,covalent,SING,C8,C15,,,,,27090,bmse010068,1
12,covalent,DOUB,C9,C13,,,,,27090,bmse010068,1
13,covalent,SING,C9,C17,,,,,27090,bmse010068,1
14,covalent,SING,C10,C16,,,,,27090,bmse010068,1
15,covalent,SING,C10,O22,,,,,27090,bmse010068,1
16,covalent,SING,C11,C12,,,,,27090,bmse010068,1
17,covalent,SING,C11,O18,,,,,27090,bmse010068,1
18,covalent,SING,C13,C16,,,,,27090,bmse010068,1
19,covalent,SING,C14,O22,,,,,27090,bmse010068,1
20,covalent,DOUB,C15,C17,,,,,27090,bmse010068,1
21,covalent,SING,C15,O19,,,,,27090,bmse010068,1
22,covalent,SING,C16,O20,,,,,27090,bmse010068,1
23,covalent,SING,C17,O21,,,,,27090,bmse010068,1
24,covalent,SING,C1,H23,,,,,27090,bmse010068,1
25,covalent,SING,C1,H24,,,,,27090,bmse010068,1
26,covalent,SING,C1,H25,,,,,27090,bmse010068,1
27,covalent,SING,C2,H26,,,,,27090,bmse010068,1
28,covalent,SING,C2,H27,,,,,27090,bmse010068,1
29,covalent,SING,C2,H28,,,,,27090,bmse010068,1
30,covalent,SING,C3,H29,,,,,27090,bmse010068,1
31,covalent,SING,C4,H30,,,,,27090,bmse010068,1
32,covalent,SING,C5,H31,,,,,27090,bmse010068,1
33,covalent,SING,C6,H32,,,,,27090,bmse010068,1
34,covalent,SING,C7,H33,,,,,27090,bmse010068,1
35,covalent,SING,C8,H34,,,,,27090,bmse010068,1
36,covalent,SING,C9,H35,,,,,27090,bmse010068,1
37,covalent,SING,C10,H36,,,,,27090,bmse010068,1
38,covalent,SING,C10,H37,,,,,27090,bmse010068,1
39,covalent,SING,C11,H38,,,,,27090,bmse010068,1
40,covalent,SING,C16,H39,,,,,27090,bmse010068,1
41,covalent,SING,O18,H40,,,,,27090,bmse010068,1
42,covalent,SING,O19,H41,,,,,27090,bmse010068,1
43,covalent,SING,O20,H42,,,,,27090,bmse010068,1
1,covalent,SING,C1,C11,,,,,27110,bmse010069,1
2,covalent,SING,C2,O25,,,,,27110,bmse010069,1
3,covalent,SING,C3,O26,,,,,27110,bmse010069,1
4,covalent,SING,C4,O27,,,,,27110,bmse010069,1
5,covalent,DOUB,C5,C6,,,,,27110,bmse010069,1
6,covalent,SING,C5,C12,,,,,27110,bmse010069,1
7,covalent,SING,C6,C14,,,,,27110,bmse010069,1
8,covalent,DOUB,C7,C12,,,,,27110,bmse010069,1
9,covalent,SING,C7,C15,,,,,27110,bmse010069,1
10,covalent,DOUB,C8,C13,,,,,27110,bmse010069,1
11,covalent,SING,C8,C16,,,,,27110,bmse010069,1
12,covalent,SING,C9,C13,,,,,27110,bmse010069,1
13,covalent,DOUB,C9,C17,,,,,27110,bmse010069,1
14,covalent,SING,C10,C18,,,,,27110,bmse010069,1
15,covalent,SING,C10,O21,,,,,27110,bmse010069,1
16,covalent,SING,C11,C13,,,,,27110,bmse010069,1
17,covalent,SING,C11,O22,,,,,27110,bmse010069,1
18,covalent,SING,C12,C19,,,,,27110,bmse010069,1
19,covalent,DOUB,C14,C15,,,,,27110,bmse010069,1
20,covalent,SING,C14,O23,,,,,27110,bmse010069,1
21,covalent,SING,C15,O25,,,,,27110,bmse010069,1
22,covalent,DOUB,C16,C20,,,,,27110,bmse010069,1
23,covalent,SING,C16,O26,,,,,27110,bmse010069,1
24,covalent,SING,C17,C20,,,,,27110,bmse010069,1
25,covalent,SING,C17,O27,,,,,27110,bmse010069,1
26,covalent,SING,C18,C19,,,,,27110,bmse010069,1
27,covalent,SING,C18,O28,,,,,27110,bmse010069,1
28,covalent,SING,C19,O24,,,,,27110,bmse010069,1
29,covalent,SING,C20,O28,,,,,27110,bmse010069,1
30,covalent,SING,C1,H29,,,,,27110,bmse010069,1
31,covalent,SING,C1,H30,,,,,27110,bmse010069,1
32,covalent,SING,C1,H31,,,,,27110,bmse010069,1
33,covalent,SING,C2,H33,,,,,27110,bmse010069,1
34,covalent,SING,C2,H34,,,,,27110,bmse010069,1
35,covalent,SING,C2,H32,,,,,27110,bmse010069,1
36,covalent,SING,C3,H35,,,,,27110,bmse010069,1
37,covalent,SING,C3,H36,,,,,27110,bmse010069,1
38,covalent,SING,C3,H37,,,,,27110,bmse010069,1
39,covalent,SING,C4,H40,,,,,27110,bmse010069,1
40,covalent,SING,C4,H38,,,,,27110,bmse010069,1
41,covalent,SING,C4,H39,,,,,27110,bmse010069,1
42,covalent,SING,C5,H41,,,,,27110,bmse010069,1
43,covalent,SING,C6,H42,,,,,27110,bmse010069,1
44,covalent,SING,C7,H43,,,,,27110,bmse010069,1
45,covalent,SING,C8,H44,,,,,27110,bmse010069,1
46,covalent,SING,C9,H45,,,,,27110,bmse010069,1
47,covalent,SING,C10,H46,,,,,27110,bmse010069,1
48,covalent,SING,C10,H47,,,,,27110,bmse010069,1
49,covalent,SING,C11,H48,,,,,27110,bmse010069,1
50,covalent,SING,C18,H49,,,,,27110,bmse010069,1
51,covalent,SING,C19,H50,,,,,27110,bmse010069,1
52,covalent,SING,O21,H51,,,,,27110,bmse010069,1
53,covalent,SING,O22,H52,,,,,27110,bmse010069,1
54,covalent,SING,O23,H53,,,,,27110,bmse010069,1
55,covalent,SING,O24,H54,,,,,27110,bmse010069,1
1,covalent,SING,C1,C12,,,,,27130,bmse010070,1
2,covalent,SING,C2,O24,,,,,27130,bmse010070,1
3,covalent,SING,C3,O25,,,,,27130,bmse010070,1
4,covalent,SING,C4,O26,,,,,27130,bmse010070,1
5,covalent,DOUB,C5,C6,,,,,27130,bmse010070,1
6,covalent,SING,C5,C13,,,,,27130,bmse010070,1
7,covalent,SING,C6,C16,,,,,27130,bmse010070,1
8,covalent,SING,C7,C13,,,,,27130,bmse010070,1
9,covalent,SING,C7,C15,,,,,27130,bmse010070,1
10,covalent,DOUB,C8,C13,,,,,27130,bmse010070,1
11,covalent,SING,C8,C17,,,,,27130,bmse010070,1
12,covalent,DOUB,C9,C14,,,,,27130,bmse010070,1
13,covalent,SING,C9,C18,,,,,27130,bmse010070,1
14,covalent,SING,C10,C14,,,,,27130,bmse010070,1
15,covalent,DOUB,C10,C19,,,,,27130,bmse010070,1
16,covalent,SING,C11,C15,,,,,27130,bmse010070,1
17,covalent,SING,C11,O21,,,,,27130,bmse010070,1
18,covalent,SING,C12,C14,,,,,27130,bmse010070,1
19,covalent,SING,C12,O22,,,,,27130,bmse010070,1
20,covalent,SING,C15,O27,,,,,27130,bmse010070,1
21,covalent,DOUB,C16,C17,,,,,27130,bmse010070,1
22,covalent,SING,C16,O23,,,,,27130,bmse010070,1
23,covalent,SING,C17,O24,,,,,27130,bmse010070,1
24,covalent,DOUB,C18,C20,,,,,27130,bmse010070,1
25,covalent,SING,C18,O25,,,,,27130,bmse010070,1
26,covalent,SING,C19,C20,,,,,27130,bmse010070,1
27,covalent,SING,C19,O26,,,,,27130,bmse010070,1
28,covalent,SING,C20,O27,,,,,27130,bmse010070,1
29,covalent,SING,C1,H29,,,,,27130,bmse010070,1
30,covalent,SING,C1,H28,,,,,27130,bmse010070,1
31,covalent,SING,C1,H30,,,,,27130,bmse010070,1
32,covalent,SING,C2,H31,,,,,27130,bmse010070,1
33,covalent,SING,C2,H32,,,,,27130,bmse010070,1
34,covalent,SING,C2,H33,,,,,27130,bmse010070,1
35,covalent,SING,C3,H34,,,,,27130,bmse010070,1
36,covalent,SING,C3,H35,,,,,27130,bmse010070,1
37,covalent,SING,C3,H36,,,,,27130,bmse010070,1
38,covalent,SING,C4,H39,,,,,27130,bmse010070,1
39,covalent,SING,C4,H37,,,,,27130,bmse010070,1
40,covalent,SING,C4,H38,,,,,27130,bmse010070,1
41,covalent,SING,C5,H40,,,,,27130,bmse010070,1
42,covalent,SING,C6,H41,,,,,27130,bmse010070,1
43,covalent,SING,C7,H42,,,,,27130,bmse010070,1
44,covalent,SING,C7,H43,,,,,27130,bmse010070,1
45,covalent,SING,C8,H44,,,,,27130,bmse010070,1
46,covalent,SING,C9,H45,,,,,27130,bmse010070,1
47,covalent,SING,C10,H46,,,,,27130,bmse010070,1
48,covalent,SING,C11,H47,,,,,27130,bmse010070,1
49,covalent,SING,C11,H48,,,,,27130,bmse010070,1
50,covalent,SING,C12,H49,,,,,27130,bmse010070,1
51,covalent,SING,C15,H50,,,,,27130,bmse010070,1
52,covalent,SING,O21,H51,,,,,27130,bmse010070,1
53,covalent,SING,O22,H52,,,,,27130,bmse010070,1
54,covalent,SING,O23,H53,,,,,27130,bmse010070,1
1,covalent,DOUB,C1,C3,,,,,27150,bmse010071,1
2,covalent,SING,C2,O11,,,,,27150,bmse010071,1
3,covalent,SING,C3,C7,,,,,27150,bmse010071,1
4,covalent,DOUB,C4,C5,,,,,27150,bmse010071,1
5,covalent,SING,C4,C7,,,,,27150,bmse010071,1
6,covalent,SING,C5,C8,,,,,27150,bmse010071,1
7,covalent,DOUB,C6,C7,,,,,27150,bmse010071,1
8,covalent,SING,C6,C9,,,,,27150,bmse010071,1
9,covalent,DOUB,C8,C9,,,,,27150,bmse010071,1
10,covalent,SING,C8,O10,,,,,27150,bmse010071,1
11,covalent,SING,C9,O11,,,,,27150,bmse010071,1
12,covalent,SING,C1,H12,,,,,27150,bmse010071,1
13,covalent,SING,C1,H13,,,,,27150,bmse010071,1
14,covalent,SING,C2,H14,,,,,27150,bmse010071,1
15,covalent,SING,C2,H15,,,,,27150,bmse010071,1
16,covalent,SING,C2,H16,,,,,27150,bmse010071,1
17,covalent,SING,C3,H17,,,,,27150,bmse010071,1
18,covalent,SING,C4,H18,,,,,27150,bmse010071,1
19,covalent,SING,C5,H19,,,,,27150,bmse010071,1
20,covalent,SING,C6,H20,,,,,27150,bmse010071,1
21,covalent,SING,O10,H21,,,,,27150,bmse010071,1
1,covalent,SING,C1,C14,,,,,27170,bmse010072,1
2,covalent,SING,C2,C15,,,,,27170,bmse010072,1
3,covalent,SING,C3,C16,,,,,27170,bmse010072,1
4,covalent,SING,C4,C17,,,,,27170,bmse010072,1
5,covalent,SING,C5,O27,,,,,27170,bmse010072,1
6,covalent,SING,C6,C9,,,,,27170,bmse010072,1
7,covalent,DOUB,C6,C18,,,,,27170,bmse010072,1
8,covalent,DOUB,C7,C10,,,,,27170,bmse010072,1
9,covalent,SING,C7,C18,,,,,27170,bmse010072,1
10,covalent,DOUB,C8,C11,,,,,27170,bmse010072,1
11,covalent,SING,C8,C19,,,,,27170,bmse010072,1
12,covalent,DOUB,C9,C20,,,,,27170,bmse010072,1
13,covalent,SING,C10,C20,,,,,27170,bmse010072,1
14,covalent,SING,C11,C21,,,,,27170,bmse010072,1
15,covalent,DOUB,C12,C19,,,,,27170,bmse010072,1
16,covalent,SING,C12,C22,,,,,27170,bmse010072,1
17,covalent,SING,C13,C23,,,,,27170,bmse010072,1
18,covalent,SING,C13,O28,,,,,27170,bmse010072,1
19,covalent,SING,C14,C18,,,,,27170,bmse010072,1
20,covalent,SING,C14,O29,,,,,27170,bmse010072,1
21,covalent,DOUB,C15,O24,,,,,27170,bmse010072,1
22,covalent,SING,C15,O29,,,,,27170,bmse010072,1
23,covalent,DOUB,C16,O25,,,,,27170,bmse010072,1
24,covalent,SING,C16,O30,,,,,27170,bmse010072,1
25,covalent,DOUB,C17,O26,,,,,27170,bmse010072,1
26,covalent,SING,C17,O31,,,,,27170,bmse010072,1
27,covalent,SING,C19,C23,,,,,27170,bmse010072,1
28,covalent,SING,C20,O28,,,,,27170,bmse010072,1
29,covalent,DOUB,C21,C22,,,,,27170,bmse010072,1
30,covalent,SING,C21,O30,,,,,27170,bmse010072,1
31,covalent,SING,C22,O27,,,,,27170,bmse010072,1
32,covalent,SING,C23,O31,,,,,27170,bmse010072,1
33,covalent,SING,C1,H34,,,,,27170,bmse010072,1
34,covalent,SING,C1,H33,,,,,27170,bmse010072,1
35,covalent,SING,C1,H32,,,,,27170,bmse010072,1
36,covalent,SING,C2,H36,,,,,27170,bmse010072,1
37,covalent,SING,C2,H37,,,,,27170,bmse010072,1
38,covalent,SING,C2,H35,,,,,27170,bmse010072,1
39,covalent,SING,C3,H39,,,,,27170,bmse010072,1
40,covalent,SING,C3,H40,,,,,27170,bmse010072,1
41,covalent,SING,C3,H38,,,,,27170,bmse010072,1
42,covalent,SING,C4,H43,,,,,27170,bmse010072,1
43,covalent,SING,C4,H42,,,,,27170,bmse010072,1
44,covalent,SING,C4,H41,,,,,27170,bmse010072,1
45,covalent,SING,C5,H46,,,,,27170,bmse010072,1
46,covalent,SING,C5,H45,,,,,27170,bmse010072,1
47,covalent,SING,C5,H44,,,,,27170,bmse010072,1
48,covalent,SING,C6,H47,,,,,27170,bmse010072,1
49,covalent,SING,C7,H48,,,,,27170,bmse010072,1
50,covalent,SING,C8,H49,,,,,27170,bmse010072,1
51,covalent,SING,C9,H50,,,,,27170,bmse010072,1
52,covalent,SING,C10,H51,,,,,27170,bmse010072,1
53,covalent,SING,C11,H52,,,,,27170,bmse010072,1
54,covalent,SING,C12,H53,,,,,27170,bmse010072,1
55,covalent,SING,C13,H54,,,,,27170,bmse010072,1
56,covalent,SING,C13,H55,,,,,27170,bmse010072,1
57,covalent,SING,C14,H56,,,,,27170,bmse010072,1
58,covalent,SING,C23,H57,,,,,27170,bmse010072,1
1,covalent,SING,C1,C9,,,,,27190,bmse010073,1
2,covalent,SING,C2,O15,,,,,27190,bmse010073,1
3,covalent,DOUB,C3,C4,,,,,27190,bmse010073,1
4,covalent,SING,C3,C7,,,,,27190,bmse010073,1
5,covalent,SING,C4,C10,,,,,27190,bmse010073,1
6,covalent,DOUB,C5,C6,,,,,27190,bmse010073,1
7,covalent,SING,C5,C10,,,,,27190,bmse010073,1
8,covalent,SING,C6,C11,,,,,27190,bmse010073,1
9,covalent,DOUB,C7,O13,,,,,27190,bmse010073,1
10,covalent,DOUB,C8,C10,,,,,27190,bmse010073,1
11,covalent,SING,C8,C12,,,,,27190,bmse010073,1
12,covalent,DOUB,C9,O14,,,,,27190,bmse010073,1
13,covalent,SING,C9,O16,,,,,27190,bmse010073,1
14,covalent,DOUB,C11,C12,,,,,27190,bmse010073,1
15,covalent,SING,C11,O16,,,,,27190,bmse010073,1
16,covalent,SING,C12,O15,,,,,27190,bmse010073,1
17,covalent,SING,C1,H18,,,,,27190,bmse010073,1
18,covalent,SING,C1,H17,,,,,27190,bmse010073,1
19,covalent,SING,C1,H19,,,,,27190,bmse010073,1
20,covalent,SING,C2,H21,,,,,27190,bmse010073,1
21,covalent,SING,C2,H22,,,,,27190,bmse010073,1
22,covalent,SING,C2,H20,,,,,27190,bmse010073,1
23,covalent,SING,C3,H23,,,,,27190,bmse010073,1
24,covalent,SING,C4,H24,,,,,27190,bmse010073,1
25,covalent,SING,C5,H25,,,,,27190,bmse010073,1
26,covalent,SING,C6,H26,,,,,27190,bmse010073,1
27,covalent,SING,C7,H27,,,,,27190,bmse010073,1
28,covalent,SING,C8,H28,,,,,27190,bmse010073,1
1,covalent,SING,C1,C10,,,,,27210,bmse010074,1
2,covalent,SING,C2,C11,,,,,27210,bmse010074,1
3,covalent,SING,C3,O17,,,,,27210,bmse010074,1
4,covalent,DOUB,C4,C5,,,,,27210,bmse010074,1
5,covalent,SING,C4,C8,,,,,27210,bmse010074,1
6,covalent,SING,C5,C12,,,,,27210,bmse010074,1
7,covalent,DOUB,C6,C7,,,,,27210,bmse010074,1
8,covalent,SING,C6,C12,,,,,27210,bmse010074,1
9,covalent,SING,C7,C13,,,,,27210,bmse010074,1
10,covalent,SING,C8,O18,,,,,27210,bmse010074,1
11,covalent,DOUB,C9,C12,,,,,27210,bmse010074,1
12,covalent,SING,C9,C14,,,,,27210,bmse010074,1
13,covalent,DOUB,C10,O15,,,,,27210,bmse010074,1
14,covalent,SING,C10,O18,,,,,27210,bmse010074,1
15,covalent,DOUB,C11,O16,,,,,27210,bmse010074,1
16,covalent,SING,C11,O19,,,,,27210,bmse010074,1
17,covalent,DOUB,C13,C14,,,,,27210,bmse010074,1
18,covalent,SING,C13,O19,,,,,27210,bmse010074,1
19,covalent,SING,C14,O17,,,,,27210,bmse010074,1
20,covalent,SING,C1,H22,,,,,27210,bmse010074,1
21,covalent,SING,C1,H21,,,,,27210,bmse010074,1
22,covalent,SING,C1,H20,,,,,27210,bmse010074,1
23,covalent,SING,C2,H24,,,,,27210,bmse010074,1
24,covalent,SING,C2,H23,,,,,27210,bmse010074,1
25,covalent,SING,C2,H25,,,,,27210,bmse010074,1
26,covalent,SING,C3,H27,,,,,27210,bmse010074,1
27,covalent,SING,C3,H28,,,,,27210,bmse010074,1
28,covalent,SING,C3,H26,,,,,27210,bmse010074,1
29,covalent,SING,C4,H29,,,,,27210,bmse010074,1
30,covalent,SING,C5,H30,,,,,27210,bmse010074,1
31,covalent,SING,C6,H31,,,,,27210,bmse010074,1
32,covalent,SING,C7,H32,,,,,27210,bmse010074,1
33,covalent,SING,C8,H33,,,,,27210,bmse010074,1
34,covalent,SING,C8,H34,,,,,27210,bmse010074,1
35,covalent,SING,C9,H35,,,,,27210,bmse010074,1
1,covalent,SING,C1,C8,,,,,27230,bmse010075,1
2,covalent,SING,C2,O13,,,,,27230,bmse010075,1
3,covalent,SING,C3,O14,,,,,27230,bmse010075,1
4,covalent,DOUB,C4,C5,,,,,27230,bmse010075,1
5,covalent,SING,C4,C9,,,,,27230,bmse010075,1
6,covalent,SING,C5,C10,,,,,27230,bmse010075,1
7,covalent,DOUB,C6,C9,,,,,27230,bmse010075,1
8,covalent,SING,C6,C11,,,,,27230,bmse010075,1
9,covalent,SING,C7,C9,,,,,27230,bmse010075,1
10,covalent,SING,C7,O15,,,,,27230,bmse010075,1
11,covalent,DOUB,C8,O12,,,,,27230,bmse010075,1
12,covalent,SING,C8,O15,,,,,27230,bmse010075,1
13,covalent,DOUB,C10,C11,,,,,27230,bmse010075,1
14,covalent,SING,C10,O13,,,,,27230,bmse010075,1
15,covalent,SING,C11,O14,,,,,27230,bmse010075,1
16,covalent,SING,C1,H17,,,,,27230,bmse010075,1
17,covalent,SING,C1,H18,,,,,27230,bmse010075,1
18,covalent,SING,C1,H16,,,,,27230,bmse010075,1
19,covalent,SING,C2,H19,,,,,27230,bmse010075,1
20,covalent,SING,C2,H21,,,,,27230,bmse010075,1
21,covalent,SING,C2,H20,,,,,27230,bmse010075,1
22,covalent,SING,C3,H22,,,,,27230,bmse010075,1
23,covalent,SING,C3,H23,,,,,27230,bmse010075,1
24,covalent,SING,C3,H24,,,,,27230,bmse010075,1
25,covalent,SING,C4,H25,,,,,27230,bmse010075,1
26,covalent,SING,C5,H26,,,,,27230,bmse010075,1
27,covalent,SING,C6,H27,,,,,27230,bmse010075,1
28,covalent,SING,C7,H28,,,,,27230,bmse010075,1
29,covalent,SING,C7,H29,,,,,27230,bmse010075,1
1,covalent,SING,C1,O13,,,,,27250,bmse010076,1
2,covalent,DOUB,C2,C3,,,,,27250,bmse010076,1
3,covalent,SING,C2,C6,,,,,27250,bmse010076,1
4,covalent,SING,C3,C8,,,,,27250,bmse010076,1
5,covalent,DOUB,C4,C5,,,,,27250,bmse010076,1
6,covalent,SING,C4,C8,,,,,27250,bmse010076,1
7,covalent,SING,C5,C9,,,,,27250,bmse010076,1
8,covalent,DOUB,C6,O11,,,,,27250,bmse010076,1
9,covalent,DOUB,C7,C8,,,,,27250,bmse010076,1
10,covalent,SING,C7,C10,,,,,27250,bmse010076,1
11,covalent,DOUB,C9,C10,,,,,27250,bmse010076,1
12,covalent,SING,C9,O12,,,,,27250,bmse010076,1
13,covalent,SING,C10,O13,,,,,27250,bmse010076,1
14,covalent,SING,C1,H14,,,,,27250,bmse010076,1
15,covalent,SING,C1,H15,,,,,27250,bmse010076,1
16,covalent,SING,C1,H16,,,,,27250,bmse010076,1
17,covalent,SING,C2,H17,,,,,27250,bmse010076,1
18,covalent,SING,C3,H18,,,,,27250,bmse010076,1
19,covalent,SING,C4,H19,,,,,27250,bmse010076,1
20,covalent,SING,C5,H20,,,,,27250,bmse010076,1
21,covalent,SING,C6,H21,,,,,27250,bmse010076,1
22,covalent,SING,C7,H22,,,,,27250,bmse010076,1
23,covalent,SING,O12,H23,,,,,27250,bmse010076,1
1,covalent,SING,C1,O13,,,,,27270,bmse010077,1
2,covalent,SING,C2,O14,,,,,27270,bmse010077,1
3,covalent,DOUB,C3,C4,,,,,27270,bmse010077,1
4,covalent,SING,C3,C7,,,,,27270,bmse010077,1
5,covalent,SING,C4,C9,,,,,27270,bmse010077,1
6,covalent,DOUB,C5,C6,,,,,27270,bmse010077,1
7,covalent,SING,C5,C9,,,,,27270,bmse010077,1
8,covalent,SING,C6,C10,,,,,27270,bmse010077,1
9,covalent,SING,C7,O12,,,,,27270,bmse010077,1
10,covalent,DOUB,C8,C9,,,,,27270,bmse010077,1
11,covalent,SING,C8,C11,,,,,27270,bmse010077,1
12,covalent,DOUB,C10,C11,,,,,27270,bmse010077,1
13,covalent,SING,C10,O13,,,,,27270,bmse010077,1
14,covalent,SING,C11,O14,,,,,27270,bmse010077,1
15,covalent,SING,C1,H15,,,,,27270,bmse010077,1
16,covalent,SING,C1,H17,,,,,27270,bmse010077,1
17,covalent,SING,C1,H16,,,,,27270,bmse010077,1
18,covalent,SING,C2,H18,,,,,27270,bmse010077,1
19,covalent,SING,C2,H19,,,,,27270,bmse010077,1
20,covalent,SING,C2,H20,,,,,27270,bmse010077,1
21,covalent,SING,C3,H21,,,,,27270,bmse010077,1
22,covalent,SING,C4,H22,,,,,27270,bmse010077,1
23,covalent,SING,C5,H23,,,,,27270,bmse010077,1
24,covalent,SING,C6,H24,,,,,27270,bmse010077,1
25,covalent,SING,C7,H25,,,,,27270,bmse010077,1
26,covalent,SING,C7,H26,,,,,27270,bmse010077,1
27,covalent,SING,C8,H27,,,,,27270,bmse010077,1
28,covalent,SING,O12,H28,,,,,27270,bmse010077,1
1,covalent,SING,C1,C12,,,,,27290,bmse010078,1
2,covalent,SING,C2,O22,,,,,27290,bmse010078,1
3,covalent,SING,C3,O23,,,,,27290,bmse010078,1
4,covalent,SING,C4,O24,,,,,27290,bmse010078,1
5,covalent,DOUB,C5,C8,,,,,27290,bmse010078,1
6,covalent,SING,C5,C13,,,,,27290,bmse010078,1
7,covalent,DOUB,C6,C7,,,,,27290,bmse010078,1
8,covalent,SING,C6,C14,,,,,27290,bmse010078,1
9,covalent,SING,C7,C16,,,,,27290,bmse010078,1
10,covalent,SING,C8,C17,,,,,27290,bmse010078,1
11,covalent,DOUB,C9,C13,,,,,27290,bmse010078,1
12,covalent,SING,C9,C19,,,,,27290,bmse010078,1
13,covalent,DOUB,C10,C14,,,,,27290,bmse010078,1
14,covalent,SING,C10,C18,,,,,27290,bmse010078,1
15,covalent,SING,C11,C15,,,,,27290,bmse010078,1
16,covalent,SING,C11,O25,,,,,27290,bmse010078,1
17,covalent,SING,C12,C13,,,,,27290,bmse010078,1
18,covalent,DOUB,C12,O20,,,,,27290,bmse010078,1
19,covalent,SING,C14,C15,,,,,27290,bmse010078,1
20,covalent,DOUB,C15,O21,,,,,27290,bmse010078,1
21,covalent,DOUB,C16,C18,,,,,27290,bmse010078,1
22,covalent,SING,C16,O22,,,,,27290,bmse010078,1
23,covalent,DOUB,C17,C19,,,,,27290,bmse010078,1
24,covalent,SING,C17,O25,,,,,27290,bmse010078,1
25,covalent,SING,C18,O23,,,,,27290,bmse010078,1
26,covalent,SING,C19,O24,,,,,27290,bmse010078,1
27,covalent,SING,C1,H26,,,,,27290,bmse010078,1
28,covalent,SING,C1,H27,,,,,27290,bmse010078,1
29,covalent,SING,C1,H28,,,,,27290,bmse010078,1
30,covalent,SING,C2,H29,,,,,27290,bmse010078,1
31,covalent,SING,C2,H30,,,,,27290,bmse010078,1
32,covalent,SING,C2,H31,,,,,27290,bmse010078,1
33,covalent,SING,C3,H32,,,,,27290,bmse010078,1
34,covalent,SING,C3,H33,,,,,27290,bmse010078,1
35,covalent,SING,C3,H34,,,,,27290,bmse010078,1
36,covalent,SING,C4,H36,,,,,27290,bmse010078,1
37,covalent,SING,C4,H35,,,,,27290,bmse010078,1
38,covalent,SING,C4,H37,,,,,27290,bmse010078,1
39,covalent,SING,C5,H38,,,,,27290,bmse010078,1
40,covalent,SING,C6,H39,,,,,27290,bmse010078,1
41,covalent,SING,C7,H40,,,,,27290,bmse010078,1
42,covalent,SING,C8,H41,,,,,27290,bmse010078,1
43,covalent,SING,C9,H42,,,,,27290,bmse010078,1
44,covalent,SING,C10,H43,,,,,27290,bmse010078,1
45,covalent,SING,C11,H44,,,,,27290,bmse010078,1
46,covalent,SING,C11,H45,,,,,27290,bmse010078,1
1,covalent,SING,C1,O19,,,,,27310,bmse010079,1
2,covalent,SING,C2,O20,,,,,27310,bmse010079,1
3,covalent,SING,C3,O21,,,,,27310,bmse010079,1
4,covalent,DOUB,C4,C5,,,,,27310,bmse010079,1
5,covalent,SING,C4,C6,,,,,27310,bmse010079,1
6,covalent,SING,C5,C7,,,,,27310,bmse010079,1
7,covalent,DOUB,C6,C14,,,,,27310,bmse010079,1
8,covalent,DOUB,C7,C16,,,,,27310,bmse010079,1
9,covalent,DOUB,C8,C9,,,,,27310,bmse010079,1
10,covalent,SING,C8,C12,,,,,27310,bmse010079,1
11,covalent,SING,C9,C15,,,,,27310,bmse010079,1
12,covalent,DOUB,C10,C12,,,,,27310,bmse010079,1
13,covalent,SING,C10,C17,,,,,27310,bmse010079,1
14,covalent,SING,C11,C13,,,,,27310,bmse010079,1
15,covalent,SING,C11,O22,,,,,27310,bmse010079,1
16,covalent,SING,C12,C13,,,,,27310,bmse010079,1
17,covalent,SING,C13,O18,,,,,27310,bmse010079,1
18,covalent,SING,C14,C16,,,,,27310,bmse010079,1
19,covalent,SING,C14,O19,,,,,27310,bmse010079,1
20,covalent,DOUB,C15,C17,,,,,27310,bmse010079,1
21,covalent,SING,C15,O20,,,,,27310,bmse010079,1
22,covalent,SING,C16,O22,,,,,27310,bmse010079,1
23,covalent,SING,C17,O21,,,,,27310,bmse010079,1
24,covalent,SING,C1,H24,,,,,27310,bmse010079,1
25,covalent,SING,C1,H23,,,,,27310,bmse010079,1
26,covalent,SING,C1,H25,,,,,27310,bmse010079,1
27,covalent,SING,C2,H26,,,,,27310,bmse010079,1
28,covalent,SING,C2,H27,,,,,27310,bmse010079,1
29,covalent,SING,C2,H28,,,,,27310,bmse010079,1
30,covalent,SING,C3,H29,,,,,27310,bmse010079,1
31,covalent,SING,C3,H30,,,,,27310,bmse010079,1
32,covalent,SING,C3,H31,,,,,27310,bmse010079,1
33,covalent,SING,C4,H32,,,,,27310,bmse010079,1
34,covalent,SING,C5,H33,,,,,27310,bmse010079,1
35,covalent,SING,C6,H34,,,,,27310,bmse010079,1
36,covalent,SING,C7,H35,,,,,27310,bmse010079,1
37,covalent,SING,C8,H36,,,,,27310,bmse010079,1
38,covalent,SING,C9,H37,,,,,27310,bmse010079,1
39,covalent,SING,C10,H38,,,,,27310,bmse010079,1
40,covalent,SING,C11,H39,,,,,27310,bmse010079,1
41,covalent,SING,C11,H40,,,,,27310,bmse010079,1
42,covalent,SING,C13,H41,,,,,27310,bmse010079,1
43,covalent,SING,O18,H42,,,,,27310,bmse010079,1
1,covalent,SING,C1,C9,,,,,27330,bmse010080,1
2,covalent,SING,C2,O15,,,,,27330,bmse010080,1
3,covalent,SING,C3,C6,,,,,27330,bmse010080,1
4,covalent,DOUB,C3,C10,,,,,27330,bmse010080,1
5,covalent,DOUB,C4,C7,,,,,27330,bmse010080,1
6,covalent,SING,C4,C10,,,,,27330,bmse010080,1
7,covalent,DOUB,C5,C8,,,,,27330,bmse010080,1
8,covalent,SING,C5,C10,,,,,27330,bmse010080,1
9,covalent,DOUB,C6,C11,,,,,27330,bmse010080,1
10,covalent,SING,C7,C11,,,,,27330,bmse010080,1
11,covalent,SING,C8,C12,,,,,27330,bmse010080,1
12,covalent,DOUB,C9,O13,,,,,27330,bmse010080,1
13,covalent,SING,C9,O16,,,,,27330,bmse010080,1
14,covalent,SING,C11,O16,,,,,27330,bmse010080,1
15,covalent,DOUB,C12,O14,,,,,27330,bmse010080,1
16,covalent,SING,C12,O15,,,,,27330,bmse010080,1
17,covalent,SING,C1,H17,,,,,27330,bmse010080,1
18,covalent,SING,C1,H18,,,,,27330,bmse010080,1
19,covalent,SING,C1,H19,,,,,27330,bmse010080,1
20,covalent,SING,C2,H20,,,,,27330,bmse010080,1
21,covalent,SING,C2,H21,,,,,27330,bmse010080,1
22,covalent,SING,C2,H22,,,,,27330,bmse010080,1
23,covalent,SING,C3,H23,,,,,27330,bmse010080,1
24,covalent,SING,C4,H24,,,,,27330,bmse010080,1
25,covalent,SING,C5,H25,,,,,27330,bmse010080,1
26,covalent,SING,C6,H26,,,,,27330,bmse010080,1
27,covalent,SING,C7,H27,,,,,27330,bmse010080,1
28,covalent,SING,C8,H28,,,,,27330,bmse010080,1
1,covalent,SING,C1,C9,,,,,27350,bmse010081,1
2,covalent,SING,C2,O16,,,,,27350,bmse010081,1
3,covalent,SING,C3,O17,,,,,27350,bmse010081,1
4,covalent,DOUB,C4,C6,,,,,27350,bmse010081,1
5,covalent,SING,C4,C10,,,,,27350,bmse010081,1
6,covalent,DOUB,C5,C7,,,,,27350,bmse010081,1
7,covalent,SING,C5,C10,,,,,27350,bmse010081,1
8,covalent,SING,C6,C11,,,,,27350,bmse010081,1
9,covalent,SING,C7,C13,,,,,27350,bmse010081,1
10,covalent,DOUB,C8,C10,,,,,27350,bmse010081,1
11,covalent,SING,C8,C12,,,,,27350,bmse010081,1
12,covalent,DOUB,C9,O14,,,,,27350,bmse010081,1
13,covalent,SING,C9,O18,,,,,27350,bmse010081,1
14,covalent,DOUB,C11,C12,,,,,27350,bmse010081,1
15,covalent,SING,C11,O18,,,,,27350,bmse010081,1
16,covalent,SING,C12,O16,,,,,27350,bmse010081,1
17,covalent,DOUB,C13,O15,,,,,27350,bmse010081,1
18,covalent,SING,C13,O17,,,,,27350,bmse010081,1
19,covalent,SING,C1,H20,,,,,27350,bmse010081,1
20,covalent,SING,C1,H19,,,,,27350,bmse010081,1
21,covalent,SING,C1,H21,,,,,27350,bmse010081,1
22,covalent,SING,C2,H23,,,,,27350,bmse010081,1
23,covalent,SING,C2,H24,,,,,27350,bmse010081,1
24,covalent,SING,C2,H22,,,,,27350,bmse010081,1
25,covalent,SING,C3,H26,,,,,27350,bmse010081,1
26,covalent,SING,C3,H27,,,,,27350,bmse010081,1
27,covalent,SING,C3,H25,,,,,27350,bmse010081,1
28,covalent,SING,C4,H28,,,,,27350,bmse010081,1
29,covalent,SING,C5,H29,,,,,27350,bmse010081,1
30,covalent,SING,C6,H30,,,,,27350,bmse010081,1
31,covalent,SING,C7,H31,,,,,27350,bmse010081,1
32,covalent,SING,C8,H32,,,,,27350,bmse010081,1
1,covalent,SING,C1,O13,,,,,27370,bmse010082,1
2,covalent,SING,C2,O14,,,,,27370,bmse010082,1
3,covalent,DOUB,C3,C4,,,,,27370,bmse010082,1
4,covalent,SING,C3,C7,,,,,27370,bmse010082,1
5,covalent,SING,C4,C9,,,,,27370,bmse010082,1
6,covalent,DOUB,C5,C6,,,,,27370,bmse010082,1
7,covalent,SING,C5,C9,,,,,27370,bmse010082,1
8,covalent,SING,C6,C10,,,,,27370,bmse010082,1
9,covalent,DOUB,C7,O12,,,,,27370,bmse010082,1
10,covalent,DOUB,C8,C9,,,,,27370,bmse010082,1
11,covalent,SING,C8,C11,,,,,27370,bmse010082,1
12,covalent,DOUB,C10,C11,,,,,27370,bmse010082,1
13,covalent,SING,C10,O13,,,,,27370,bmse010082,1
14,covalent,SING,C11,O14,,,,,27370,bmse010082,1
15,covalent,SING,C1,H15,,,,,27370,bmse010082,1
16,covalent,SING,C1,H17,,,,,27370,bmse010082,1
17,covalent,SING,C1,H16,,,,,27370,bmse010082,1
18,covalent,SING,C2,H18,,,,,27370,bmse010082,1
19,covalent,SING,C2,H19,,,,,27370,bmse010082,1
20,covalent,SING,C2,H20,,,,,27370,bmse010082,1
21,covalent,SING,C3,H21,,,,,27370,bmse010082,1
22,covalent,SING,C4,H22,,,,,27370,bmse010082,1
23,covalent,SING,C5,H23,,,,,27370,bmse010082,1
24,covalent,SING,C6,H24,,,,,27370,bmse010082,1
25,covalent,SING,C7,H25,,,,,27370,bmse010082,1
26,covalent,SING,C8,H26,,,,,27370,bmse010082,1
1,covalent,DOUB,C1,C2,,,,,27390,bmse010083,1
2,covalent,SING,C1,C7,,,,,27390,bmse010083,1
3,covalent,SING,C2,C8,,,,,27390,bmse010083,1
4,covalent,SING,C3,C5,,,,,27390,bmse010083,1
5,covalent,DOUB,C3,C8,,,,,27390,bmse010083,1
6,covalent,DOUB,C4,C6,,,,,27390,bmse010083,1
7,covalent,SING,C4,C8,,,,,27390,bmse010083,1
8,covalent,DOUB,C5,C9,,,,,27390,bmse010083,1
9,covalent,SING,C6,C9,,,,,27390,bmse010083,1
10,covalent,SING,C7,O10,,,,,27390,bmse010083,1
11,covalent,SING,C9,O11,,,,,27390,bmse010083,1
12,covalent,SING,C1,H12,,,,,27390,bmse010083,1
13,covalent,SING,C2,H13,,,,,27390,bmse010083,1
14,covalent,SING,C3,H14,,,,,27390,bmse010083,1
15,covalent,SING,C4,H15,,,,,27390,bmse010083,1
16,covalent,SING,C5,H16,,,,,27390,bmse010083,1
17,covalent,SING,C6,H17,,,,,27390,bmse010083,1
18,covalent,SING,C7,H18,,,,,27390,bmse010083,1
19,covalent,SING,C7,H19,,,,,27390,bmse010083,1
20,covalent,SING,O10,H20,,,,,27390,bmse010083,1
21,covalent,SING,O11,H21,,,,,27390,bmse010083,1
1,covalent,DOUB,C1,C2,,,,,27407,bmse010084,1
2,covalent,SING,C1,C7,,,,,27407,bmse010084,1
3,covalent,SING,C2,C8,,,,,27407,bmse010084,1
4,covalent,SING,C3,C5,,,,,27407,bmse010084,1
5,covalent,DOUB,C3,C8,,,,,27407,bmse010084,1
6,covalent,DOUB,C4,C6,,,,,27407,bmse010084,1
7,covalent,SING,C4,C8,,,,,27407,bmse010084,1
8,covalent,DOUB,C5,C9,,,,,27407,bmse010084,1
9,covalent,SING,C6,C9,,,,,27407,bmse010084,1
10,covalent,DOUB,C7,O10,,,,,27407,bmse010084,1
11,covalent,SING,C9,O11,,,,,27407,bmse010084,1
12,covalent,SING,C1,H12,,,,,27407,bmse010084,1
13,covalent,SING,C2,H13,,,,,27407,bmse010084,1
14,covalent,SING,C3,H14,,,,,27407,bmse010084,1
15,covalent,SING,C4,H15,,,,,27407,bmse010084,1
16,covalent,SING,C5,H16,,,,,27407,bmse010084,1
17,covalent,SING,C6,H17,,,,,27407,bmse010084,1
18,covalent,SING,C7,H18,,,,,27407,bmse010084,1
19,covalent,SING,O11,H19,,,,,27407,bmse010084,1
1,covalent,SING,C1,O14,,,,,27424,bmse010085,1
2,covalent,SING,C2,O15,,,,,27424,bmse010085,1
3,covalent,DOUB,C3,C4,,,,,27424,bmse010085,1
4,covalent,SING,C3,C5,,,,,27424,bmse010085,1
5,covalent,SING,C4,C8,,,,,27424,bmse010085,1
6,covalent,DOUB,C5,O12,,,,,27424,bmse010085,1
7,covalent,DOUB,C6,C8,,,,,27424,bmse010085,1
8,covalent,SING,C6,C9,,,,,27424,bmse010085,1
9,covalent,SING,C7,C8,,,,,27424,bmse010085,1
10,covalent,DOUB,C7,C10,,,,,27424,bmse010085,1
11,covalent,DOUB,C9,C11,,,,,27424,bmse010085,1
12,covalent,SING,C9,O14,,,,,27424,bmse010085,1
13,covalent,SING,C10,C11,,,,,27424,bmse010085,1
14,covalent,SING,C10,O15,,,,,27424,bmse010085,1
15,covalent,SING,C11,O13,,,,,27424,bmse010085,1
16,covalent,SING,C1,H16,,,,,27424,bmse010085,1
17,covalent,SING,C1,H18,,,,,27424,bmse010085,1
18,covalent,SING,C1,H17,,,,,27424,bmse010085,1
19,covalent,SING,C2,H19,,,,,27424,bmse010085,1
20,covalent,SING,C2,H21,,,,,27424,bmse010085,1
21,covalent,SING,C2,H20,,,,,27424,bmse010085,1
22,covalent,SING,C3,H22,,,,,27424,bmse010085,1
23,covalent,SING,C4,H23,,,,,27424,bmse010085,1
24,covalent,SING,C5,H24,,,,,27424,bmse010085,1
25,covalent,SING,C6,H25,,,,,27424,bmse010085,1
26,covalent,SING,C7,H26,,,,,27424,bmse010085,1
27,covalent,SING,O13,H27,,,,,27424,bmse010085,1
1,covalent,SING,C1,O19,,,,,27444,bmse010086,1
2,covalent,SING,C2,O20,,,,,27444,bmse010086,1
3,covalent,DOUB,C3,C4,,,,,27444,bmse010086,1
4,covalent,SING,C3,C5,,,,,27444,bmse010086,1
5,covalent,SING,C4,C6,,,,,27444,bmse010086,1
6,covalent,DOUB,C5,C14,,,,,27444,bmse010086,1
7,covalent,DOUB,C6,C15,,,,,27444,bmse010086,1
8,covalent,DOUB,C7,C8,,,,,27444,bmse010086,1
9,covalent,SING,C7,C11,,,,,27444,bmse010086,1
10,covalent,SING,C8,C12,,,,,27444,bmse010086,1
11,covalent,DOUB,C9,C11,,,,,27444,bmse010086,1
12,covalent,SING,C9,C16,,,,,27444,bmse010086,1
13,covalent,SING,C10,C13,,,,,27444,bmse010086,1
14,covalent,SING,C10,O21,,,,,27444,bmse010086,1
15,covalent,SING,C11,C13,,,,,27444,bmse010086,1
16,covalent,DOUB,C12,C16,,,,,27444,bmse010086,1
17,covalent,SING,C12,O17,,,,,27444,bmse010086,1
18,covalent,DOUB,C13,O18,,,,,27444,bmse010086,1
19,covalent,SING,C14,C15,,,,,27444,bmse010086,1
20,covalent,SING,C14,O19,,,,,27444,bmse010086,1
21,covalent,SING,C15,O21,,,,,27444,bmse010086,1
22,covalent,SING,C16,O20,,,,,27444,bmse010086,1
23,covalent,SING,C1,H22,,,,,27444,bmse010086,1
24,covalent,SING,C1,H23,,,,,27444,bmse010086,1
25,covalent,SING,C1,H24,,,,,27444,bmse010086,1
26,covalent,SING,C2,H25,,,,,27444,bmse010086,1
27,covalent,SING,C2,H26,,,,,27444,bmse010086,1
28,covalent,SING,C2,H27,,,,,27444,bmse010086,1
29,covalent,SING,C3,H28,,,,,27444,bmse010086,1
30,covalent,SING,C4,H29,,,,,27444,bmse010086,1
31,covalent,SING,C5,H30,,,,,27444,bmse010086,1
32,covalent,SING,C6,H31,,,,,27444,bmse010086,1
33,covalent,SING,C7,H32,,,,,27444,bmse010086,1
34,covalent,SING,C8,H33,,,,,27444,bmse010086,1
35,covalent,SING,C9,H34,,,,,27444,bmse010086,1
36,covalent,SING,C10,H35,,,,,27444,bmse010086,1
37,covalent,SING,C10,H36,,,,,27444,bmse010086,1
38,covalent,SING,O17,H37,,,,,27444,bmse010086,1
1,covalent,SING,C1,C9,,,,,27464,bmse010087,1
2,covalent,SING,C2,O16,,,,,27464,bmse010087,1
3,covalent,SING,C3,O17,,,,,27464,bmse010087,1
4,covalent,DOUB,C4,C5,,,,,27464,bmse010087,1
5,covalent,SING,C4,C6,,,,,27464,bmse010087,1
6,covalent,SING,C5,C10,,,,,27464,bmse010087,1
7,covalent,DOUB,C6,O14,,,,,27464,bmse010087,1
8,covalent,DOUB,C7,C10,,,,,27464,bmse010087,1
9,covalent,SING,C7,C11,,,,,27464,bmse010087,1
10,covalent,SING,C8,C10,,,,,27464,bmse010087,1
11,covalent,DOUB,C8,C12,,,,,27464,bmse010087,1
12,covalent,DOUB,C9,O15,,,,,27464,bmse010087,1
13,covalent,SING,C9,O18,,,,,27464,bmse010087,1
14,covalent,DOUB,C11,C13,,,,,27464,bmse010087,1
15,covalent,SING,C11,O16,,,,,27464,bmse010087,1
16,covalent,SING,C12,C13,,,,,27464,bmse010087,1
17,covalent,SING,C12,O17,,,,,27464,bmse010087,1
18,covalent,SING,C13,O18,,,,,27464,bmse010087,1
19,covalent,SING,C1,H20,,,,,27464,bmse010087,1
20,covalent,SING,C1,H19,,,,,27464,bmse010087,1
21,covalent,SING,C1,H21,,,,,27464,bmse010087,1
22,covalent,SING,C2,H24,,,,,27464,bmse010087,1
23,covalent,SING,C2,H23,,,,,27464,bmse010087,1
24,covalent,SING,C2,H22,,,,,27464,bmse010087,1
25,covalent,SING,C3,H25,,,,,27464,bmse010087,1
26,covalent,SING,C3,H27,,,,,27464,bmse010087,1
27,covalent,SING,C3,H26,,,,,27464,bmse010087,1
28,covalent,SING,C4,H28,,,,,27464,bmse010087,1
29,covalent,SING,C5,H29,,,,,27464,bmse010087,1
30,covalent,SING,C6,H30,,,,,27464,bmse010087,1
31,covalent,SING,C7,H31,,,,,27464,bmse010087,1
32,covalent,SING,C8,H32,,,,,27464,bmse010087,1
1,covalent,SING,C1,C7,,,,,27484,bmse010088,1
2,covalent,SING,C2,O13,,,,,27484,bmse010088,1
3,covalent,SING,C3,O14,,,,,27484,bmse010088,1
4,covalent,SING,C4,O15,,,,,27484,bmse010088,1
5,covalent,DOUB,C5,C8,,,,,27484,bmse010088,1
6,covalent,SING,C5,C9,,,,,27484,bmse010088,1
7,covalent,SING,C6,C8,,,,,27484,bmse010088,1
8,covalent,DOUB,C6,C10,,,,,27484,bmse010088,1
9,covalent,SING,C7,C8,,,,,27484,bmse010088,1
10,covalent,DOUB,C7,O12,,,,,27484,bmse010088,1
11,covalent,DOUB,C9,C11,,,,,27484,bmse010088,1
12,covalent,SING,C9,O13,,,,,27484,bmse010088,1
13,covalent,SING,C10,C11,,,,,27484,bmse010088,1
14,covalent,SING,C10,O14,,,,,27484,bmse010088,1
15,covalent,SING,C11,O15,,,,,27484,bmse010088,1
16,covalent,SING,C1,H18,,,,,27484,bmse010088,1
17,covalent,SING,C1,H17,,,,,27484,bmse010088,1
18,covalent,SING,C1,H16,,,,,27484,bmse010088,1
19,covalent,SING,C2,H19,,,,,27484,bmse010088,1
20,covalent,SING,C2,H21,,,,,27484,bmse010088,1
21,covalent,SING,C2,H20,,,,,27484,bmse010088,1
22,covalent,SING,C3,H22,,,,,27484,bmse010088,1
23,covalent,SING,C3,H24,,,,,27484,bmse010088,1
24,covalent,SING,C3,H23,,,,,27484,bmse010088,1
25,covalent,SING,C4,H25,,,,,27484,bmse010088,1
26,covalent,SING,C4,H27,,,,,27484,bmse010088,1
27,covalent,SING,C4,H26,,,,,27484,bmse010088,1
28,covalent,SING,C5,H28,,,,,27484,bmse010088,1
29,covalent,SING,C6,H29,,,,,27484,bmse010088,1
1,covalent,SING,C1,C12,,,,,27504,bmse010089,1
2,covalent,SING,C2,C13,,,,,27504,bmse010089,1
3,covalent,SING,C3,C14,,,,,27504,bmse010089,1
4,covalent,SING,C4,C15,,,,,27504,bmse010089,1
5,covalent,SING,C5,C8,,,,,27504,bmse010089,1
6,covalent,DOUB,C5,C16,,,,,27504,bmse010089,1
7,covalent,DOUB,C6,C9,,,,,27504,bmse010089,1
8,covalent,SING,C6,C16,,,,,27504,bmse010089,1
9,covalent,DOUB,C7,C10,,,,,27504,bmse010089,1
10,covalent,SING,C7,C16,,,,,27504,bmse010089,1
11,covalent,DOUB,C8,C17,,,,,27504,bmse010089,1
12,covalent,SING,C9,C17,,,,,27504,bmse010089,1
13,covalent,SING,C10,C19,,,,,27504,bmse010089,1
14,covalent,SING,C18,C11,,,,,27504,bmse010089,1
15,covalent,SING,C11,O30,,,,,27504,bmse010089,1
16,covalent,DOUB,C12,O24,,,,,27504,bmse010089,1
17,covalent,SING,C12,O30,,,,,27504,bmse010089,1
18,covalent,DOUB,C13,O25,,,,,27504,bmse010089,1
19,covalent,SING,C13,O31,,,,,27504,bmse010089,1
20,covalent,DOUB,C14,O26,,,,,27504,bmse010089,1
21,covalent,SING,C14,O32,,,,,27504,bmse010089,1
22,covalent,DOUB,C15,O27,,,,,27504,bmse010089,1
23,covalent,SING,C15,O33,,,,,27504,bmse010089,1
24,covalent,SING,C17,O34,,,,,27504,bmse010089,1
25,covalent,SING,C18,C20,,,,,27504,bmse010089,1
26,covalent,SING,C18,O35,,,,,27504,bmse010089,1
27,covalent,SING,C19,O28,,,,,27504,bmse010089,1
28,covalent,DOUB,C19,O29,,,,,27504,bmse010089,1
29,covalent,SING,C20,C21,,,,,27504,bmse010089,1
30,covalent,SING,C20,O31,,,,,27504,bmse010089,1
31,covalent,SING,C21,C22,,,,,27504,bmse010089,1
32,covalent,SING,C21,O32,,,,,27504,bmse010089,1
33,covalent,SING,C22,C23,,,,,27504,bmse010089,1
34,covalent,SING,C22,O33,,,,,27504,bmse010089,1
35,covalent,SING,C23,O34,,,,,27504,bmse010089,1
36,covalent,SING,C23,O35,,,,,27504,bmse010089,1
37,covalent,SING,C1,H38,,,,,27504,bmse010089,1
38,covalent,SING,C1,H37,,,,,27504,bmse010089,1
39,covalent,SING,C1,H36,,,,,27504,bmse010089,1
40,covalent,SING,C2,H41,,,,,27504,bmse010089,1
41,covalent,SING,C2,H40,,,,,27504,bmse010089,1
42,covalent,SING,C2,H39,,,,,27504,bmse010089,1
43,covalent,SING,C3,H43,,,,,27504,bmse010089,1
44,covalent,SING,C3,H42,,,,,27504,bmse010089,1
45,covalent,SING,C3,H44,,,,,27504,bmse010089,1
46,covalent,SING,C4,H47,,,,,27504,bmse010089,1
47,covalent,SING,C4,H45,,,,,27504,bmse010089,1
48,covalent,SING,C4,H46,,,,,27504,bmse010089,1
49,covalent,SING,C5,H48,,,,,27504,bmse010089,1
50,covalent,SING,C6,H49,,,,,27504,bmse010089,1
51,covalent,SING,C7,H50,,,,,27504,bmse010089,1
52,covalent,SING,C8,H51,,,,,27504,bmse010089,1
53,covalent,SING,C9,H52,,,,,27504,bmse010089,1
54,covalent,SING,C10,H53,,,,,27504,bmse010089,1
55,covalent,SING,C11,H54,,,,,27504,bmse010089,1
56,covalent,SING,C11,H55,,,,,27504,bmse010089,1
57,covalent,SING,C18,H56,,,,,27504,bmse010089,1
58,covalent,SING,C20,H57,,,,,27504,bmse010089,1
59,covalent,SING,C21,H58,,,,,27504,bmse010089,1
60,covalent,SING,C22,H59,,,,,27504,bmse010089,1
61,covalent,SING,C23,H60,,,,,27504,bmse010089,1
62,covalent,SING,O28,H61,,,,,27504,bmse010089,1
1,covalent,SING,C1,C10,,,,,27524,bmse010090,1
2,covalent,SING,C2,O15,,,,,27524,bmse010090,1
3,covalent,SING,C3,O16,,,,,27524,bmse010090,1
4,covalent,DOUB,C4,C5,,,,,27524,bmse010090,1
5,covalent,SING,C4,C8,,,,,27524,bmse010090,1
6,covalent,SING,C5,C11,,,,,27524,bmse010090,1
7,covalent,DOUB,C6,C7,,,,,27524,bmse010090,1
8,covalent,SING,C6,C11,,,,,27524,bmse010090,1
9,covalent,SING,C7,C12,,,,,27524,bmse010090,1
10,covalent,SING,C8,O17,,,,,27524,bmse010090,1
11,covalent,DOUB,C9,C11,,,,,27524,bmse010090,1
12,covalent,SING,C9,C13,,,,,27524,bmse010090,1
13,covalent,DOUB,C10,O14,,,,,27524,bmse010090,1
14,covalent,SING,C10,O17,,,,,27524,bmse010090,1
15,covalent,DOUB,C12,C13,,,,,27524,bmse010090,1
16,covalent,SING,C12,O15,,,,,27524,bmse010090,1
17,covalent,SING,C13,O16,,,,,27524,bmse010090,1
18,covalent,SING,C1,H20,,,,,27524,bmse010090,1
19,covalent,SING,C1,H19,,,,,27524,bmse010090,1
20,covalent,SING,C1,H18,,,,,27524,bmse010090,1
21,covalent,SING,C2,H21,,,,,27524,bmse010090,1
22,covalent,SING,C2,H23,,,,,27524,bmse010090,1
23,covalent,SING,C2,H22,,,,,27524,bmse010090,1
24,covalent,SING,C3,H24,,,,,27524,bmse010090,1
25,covalent,SING,C3,H25,,,,,27524,bmse010090,1
26,covalent,SING,C3,H26,,,,,27524,bmse010090,1
27,covalent,SING,C4,H27,,,,,27524,bmse010090,1
28,covalent,SING,C5,H28,,,,,27524,bmse010090,1
29,covalent,SING,C6,H29,,,,,27524,bmse010090,1
30,covalent,SING,C7,H30,,,,,27524,bmse010090,1
31,covalent,SING,C8,H31,,,,,27524,bmse010090,1
32,covalent,SING,C8,H32,,,,,27524,bmse010090,1
33,covalent,SING,C9,H33,,,,,27524,bmse010090,1
1,covalent,SING,C1,O15,,,,,27544,bmse010091,1
2,covalent,SING,C2,O16,,,,,27544,bmse010091,1
3,covalent,DOUB,C3,C4,,,,,27544,bmse010091,1
4,covalent,SING,C3,C7,,,,,27544,bmse010091,1
5,covalent,SING,C4,C9,,,,,27544,bmse010091,1
6,covalent,DOUB,C5,C7,,,,,27544,bmse010091,1
7,covalent,SING,C5,C10,,,,,27544,bmse010091,1
8,covalent,SING,C6,C8,,,,,27544,bmse010091,1
9,covalent,SING,C6,O12,,,,,27544,bmse010091,1
10,covalent,SING,C7,C11,,,,,27544,bmse010091,1
11,covalent,SING,C8,C11,,,,,27544,bmse010091,1
12,covalent,SING,C8,O13,,,,,27544,bmse010091,1
13,covalent,DOUB,C9,C10,,,,,27544,bmse010091,1
14,covalent,SING,C9,O15,,,,,27544,bmse010091,1
15,covalent,SING,C10,O16,,,,,27544,bmse010091,1
16,covalent,SING,C11,O14,,,,,27544,bmse010091,1
17,covalent,SING,C1,H17,,,,,27544,bmse010091,1
18,covalent,SING,C1,H18,,,,,27544,bmse010091,1
19,covalent,SING,C1,H19,,,,,27544,bmse010091,1
20,covalent,SING,C2,H20,,,,,27544,bmse010091,1
21,covalent,SING,C2,H21,,,,,27544,bmse010091,1
22,covalent,SING,C2,H22,,,,,27544,bmse010091,1
23,covalent,SING,C3,H23,,,,,27544,bmse010091,1
24,covalent,SING,C4,H24,,,,,27544,bmse010091,1
25,covalent,SING,C5,H25,,,,,27544,bmse010091,1
26,covalent,SING,C6,H26,,,,,27544,bmse010091,1
27,covalent,SING,C6,H27,,,,,27544,bmse010091,1
28,covalent,SING,C8,H28,,,,,27544,bmse010091,1
29,covalent,SING,C11,H29,,,,,27544,bmse010091,1
30,covalent,SING,O12,H30,,,,,27544,bmse010091,1
31,covalent,SING,O13,H31,,,,,27544,bmse010091,1
32,covalent,SING,O14,H32,,,,,27544,bmse010091,1
1,covalent,SING,C1,O15,,,,,27561,bmse010092,1
2,covalent,SING,C2,O16,,,,,27561,bmse010092,1
3,covalent,DOUB,C3,C4,,,,,27561,bmse010092,1
4,covalent,SING,C3,C7,,,,,27561,bmse010092,1
5,covalent,SING,C4,C9,,,,,27561,bmse010092,1
6,covalent,DOUB,C5,C7,,,,,27561,bmse010092,1
7,covalent,SING,C5,C10,,,,,27561,bmse010092,1
8,covalent,SING,C6,C8,,,,,27561,bmse010092,1
9,covalent,SING,C6,O12,,,,,27561,bmse010092,1
10,covalent,SING,C7,C11,,,,,27561,bmse010092,1
11,covalent,SING,C8,C11,,,,,27561,bmse010092,1
12,covalent,SING,C8,O13,,,,,27561,bmse010092,1
13,covalent,DOUB,C9,C10,,,,,27561,bmse010092,1
14,covalent,SING,C9,O15,,,,,27561,bmse010092,1
15,covalent,SING,C10,O16,,,,,27561,bmse010092,1
16,covalent,DOUB,C11,O14,,,,,27561,bmse010092,1
17,covalent,SING,C1,H17,,,,,27561,bmse010092,1
18,covalent,SING,C1,H19,,,,,27561,bmse010092,1
19,covalent,SING,C1,H18,,,,,27561,bmse010092,1
20,covalent,SING,C2,H20,,,,,27561,bmse010092,1
21,covalent,SING,C2,H21,,,,,27561,bmse010092,1
22,covalent,SING,C2,H22,,,,,27561,bmse010092,1
23,covalent,SING,C3,H23,,,,,27561,bmse010092,1
24,covalent,SING,C4,H24,,,,,27561,bmse010092,1
25,covalent,SING,C5,H25,,,,,27561,bmse010092,1
26,covalent,SING,C6,H26,,,,,27561,bmse010092,1
27,covalent,SING,C6,H27,,,,,27561,bmse010092,1
28,covalent,SING,C8,H28,,,,,27561,bmse010092,1
29,covalent,SING,O12,H29,,,,,27561,bmse010092,1
30,covalent,SING,O13,H30,,,,,27561,bmse010092,1
1,covalent,SING,C1,C13,,,,,27578,bmse010093,1
2,covalent,SING,C2,C14,,,,,27578,bmse010093,1
3,covalent,SING,C3,O25,,,,,27578,bmse010093,1
4,covalent,SING,C4,O26,,,,,27578,bmse010093,1
5,covalent,DOUB,C5,C6,,,,,27578,bmse010093,1
6,covalent,SING,C5,C7,,,,,27578,bmse010093,1
7,covalent,SING,C6,C8,,,,,27578,bmse010093,1
8,covalent,DOUB,C7,C16,,,,,27578,bmse010093,1
9,covalent,DOUB,C8,C17,,,,,27578,bmse010093,1
10,covalent,DOUB,C9,C10,,,,,27578,bmse010093,1
11,covalent,SING,C9,C15,,,,,27578,bmse010093,1
12,covalent,SING,C10,C18,,,,,27578,bmse010093,1
13,covalent,DOUB,C11,C15,,,,,27578,bmse010093,1
14,covalent,SING,C11,C19,,,,,27578,bmse010093,1
15,covalent,SING,C12,C20,,,,,27578,bmse010093,1
16,covalent,SING,C12,O27,,,,,27578,bmse010093,1
17,covalent,DOUB,C13,O22,,,,,27578,bmse010093,1
18,covalent,SING,C13,O27,,,,,27578,bmse010093,1
19,covalent,DOUB,C14,O23,,,,,27578,bmse010093,1
20,covalent,SING,C14,O28,,,,,27578,bmse010093,1
21,covalent,SING,C15,C21,,,,,27578,bmse010093,1
22,covalent,SING,C16,C17,,,,,27578,bmse010093,1
23,covalent,SING,C16,O25,,,,,27578,bmse010093,1
24,covalent,SING,C17,O29,,,,,27578,bmse010093,1
25,covalent,DOUB,C18,C19,,,,,27578,bmse010093,1
26,covalent,SING,C18,O28,,,,,27578,bmse010093,1
27,covalent,SING,C19,O26,,,,,27578,bmse010093,1
28,covalent,SING,C20,C21,,,,,27578,bmse010093,1
29,covalent,SING,C20,O29,,,,,27578,bmse010093,1
30,covalent,DOUB,C21,O24,,,,,27578,bmse010093,1
31,covalent,SING,C1,H30,,,,,27578,bmse010093,1
32,covalent,SING,C1,H31,,,,,27578,bmse010093,1
33,covalent,SING,C1,H32,,,,,27578,bmse010093,1
34,covalent,SING,C2,H35,,,,,27578,bmse010093,1
35,covalent,SING,C2,H34,,,,,27578,bmse010093,1
36,covalent,SING,C2,H33,,,,,27578,bmse010093,1
37,covalent,SING,C3,H37,,,,,27578,bmse010093,1
38,covalent,SING,C3,H36,,,,,27578,bmse010093,1
39,covalent,SING,C3,H38,,,,,27578,bmse010093,1
40,covalent,SING,C4,H39,,,,,27578,bmse010093,1
41,covalent,SING,C4,H40,,,,,27578,bmse010093,1
42,covalent,SING,C4,H41,,,,,27578,bmse010093,1
43,covalent,SING,C5,H42,,,,,27578,bmse010093,1
44,covalent,SING,C6,H43,,,,,27578,bmse010093,1
45,covalent,SING,C7,H44,,,,,27578,bmse010093,1
46,covalent,SING,C8,H45,,,,,27578,bmse010093,1
47,covalent,SING,C9,H46,,,,,27578,bmse010093,1
48,covalent,SING,C10,H47,,,,,27578,bmse010093,1
49,covalent,SING,C11,H48,,,,,27578,bmse010093,1
50,covalent,SING,C12,H49,,,,,27578,bmse010093,1
51,covalent,SING,C12,H50,,,,,27578,bmse010093,1
52,covalent,SING,C20,H51,,,,,27578,bmse010093,1
1,covalent,SING,C1,C13,,,,,27595,bmse010094,1
2,covalent,SING,C2,O23,,,,,27595,bmse010094,1
3,covalent,SING,C3,O24,,,,,27595,bmse010094,1
4,covalent,SING,C4,O25,,,,,27595,bmse010094,1
5,covalent,DOUB,C5,C6,,,,,27595,bmse010094,1
6,covalent,SING,C5,C7,,,,,27595,bmse010094,1
7,covalent,SING,C6,C8,,,,,27595,bmse010094,1
8,covalent,DOUB,C7,C15,,,,,27595,bmse010094,1
9,covalent,DOUB,C8,C17,,,,,27595,bmse010094,1
10,covalent,DOUB,C9,C10,,,,,27595,bmse010094,1
11,covalent,SING,C9,C14,,,,,27595,bmse010094,1
12,covalent,SING,C10,C16,,,,,27595,bmse010094,1
13,covalent,DOUB,C11,C14,,,,,27595,bmse010094,1
14,covalent,SING,C11,C18,,,,,27595,bmse010094,1
15,covalent,SING,C12,C19,,,,,27595,bmse010094,1
16,covalent,SING,C12,O26,,,,,27595,bmse010094,1
17,covalent,DOUB,C13,O21,,,,,27595,bmse010094,1
18,covalent,SING,C13,O26,,,,,27595,bmse010094,1
19,covalent,SING,C14,C20,,,,,27595,bmse010094,1
20,covalent,SING,C15,C17,,,,,27595,bmse010094,1
21,covalent,SING,C15,O23,,,,,27595,bmse010094,1
22,covalent,DOUB,C16,C18,,,,,27595,bmse010094,1
23,covalent,SING,C16,O24,,,,,27595,bmse010094,1
24,covalent,SING,C17,O27,,,,,27595,bmse010094,1
25,covalent,SING,C18,O25,,,,,27595,bmse010094,1
26,covalent,SING,C19,C20,,,,,27595,bmse010094,1
27,covalent,SING,C19,O27,,,,,27595,bmse010094,1
28,covalent,DOUB,C20,O22,,,,,27595,bmse010094,1
29,covalent,SING,C1,H28,,,,,27595,bmse010094,1
30,covalent,SING,C1,H29,,,,,27595,bmse010094,1
31,covalent,SING,C1,H30,,,,,27595,bmse010094,1
32,covalent,SING,C2,H31,,,,,27595,bmse010094,1
33,covalent,SING,C2,H32,,,,,27595,bmse010094,1
34,covalent,SING,C2,H33,,,,,27595,bmse010094,1
35,covalent,SING,C3,H34,,,,,27595,bmse010094,1
36,covalent,SING,C3,H35,,,,,27595,bmse010094,1
37,covalent,SING,C3,H36,,,,,27595,bmse010094,1
38,covalent,SING,C4,H37,,,,,27595,bmse010094,1
39,covalent,SING,C4,H38,,,,,27595,bmse010094,1
40,covalent,SING,C4,H39,,,,,27595,bmse010094,1
41,covalent,SING,C5,H40,,,,,27595,bmse010094,1
42,covalent,SING,C6,H41,,,,,27595,bmse010094,1
43,covalent,SING,C7,H42,,,,,27595,bmse010094,1
44,covalent,SING,C8,H43,,,,,27595,bmse010094,1
45,covalent,SING,C9,H44,,,,,27595,bmse010094,1
46,covalent,SING,C10,H45,,,,,27595,bmse010094,1
47,covalent,SING,C11,H46,,,,,27595,bmse010094,1
48,covalent,SING,C12,H47,,,,,27595,bmse010094,1
49,covalent,SING,C12,H48,,,,,27595,bmse010094,1
50,covalent,SING,C19,H49,,,,,27595,bmse010094,1
1,covalent,SING,C1,O45,,,,,27615,bmse010095,1
2,covalent,SING,C2,O46,,,,,27615,bmse010095,1
3,covalent,SING,C3,O47,,,,,27615,bmse010095,1
4,covalent,SING,C4,O48,,,,,27615,bmse010095,1
5,covalent,DOUB,C5,C7,,,,,27615,bmse010095,1
6,covalent,SING,C5,C19,,,,,27615,bmse010095,1
7,covalent,DOUB,C6,C8,,,,,27615,bmse010095,1
8,covalent,SING,C6,C20,,,,,27615,bmse010095,1
9,covalent,SING,C7,C29,,,,,27615,bmse010095,1
10,covalent,SING,C8,C30,,,,,27615,bmse010095,1
11,covalent,DOUB,C9,C21,,,,,27615,bmse010095,1
12,covalent,SING,C9,C23,,,,,27615,bmse010095,1
13,covalent,DOUB,C10,C22,,,,,27615,bmse010095,1
14,covalent,SING,C10,C24,,,,,27615,bmse010095,1
15,covalent,DOUB,C11,C19,,,,,27615,bmse010095,1
16,covalent,SING,C11,C31,,,,,27615,bmse010095,1
17,covalent,DOUB,C12,C20,,,,,27615,bmse010095,1
18,covalent,SING,C12,C32,,,,,27615,bmse010095,1
19,covalent,SING,C13,C21,,,,,27615,bmse010095,1
20,covalent,DOUB,C13,C33,,,,,27615,bmse010095,1
21,covalent,SING,C14,C22,,,,,27615,bmse010095,1
22,covalent,DOUB,C14,C34,,,,,27615,bmse010095,1
23,covalent,SING,C15,C25,,,,,27615,bmse010095,1
24,covalent,SING,C15,O51,,,,,27615,bmse010095,1
25,covalent,SING,C16,C26,,,,,27615,bmse010095,1
26,covalent,SING,C16,O52,,,,,27615,bmse010095,1
27,covalent,SING,C17,C27,,,,,27615,bmse010095,1
28,covalent,SING,C17,O49,,,,,27615,bmse010095,1
29,covalent,SING,C18,C28,,,,,27615,bmse010095,1
30,covalent,SING,C18,O50,,,,,27615,bmse010095,1
31,covalent,SING,C19,C37,,,,,27615,bmse010095,1
32,covalent,SING,C20,C38,,,,,27615,bmse010095,1
33,covalent,SING,C21,C39,,,,,27615,bmse010095,1
34,covalent,SING,C22,C40,,,,,27615,bmse010095,1
35,covalent,SING,C23,C24,,,,,27615,bmse010095,1
36,covalent,DOUB,C23,C35,,,,,27615,bmse010095,1
37,covalent,DOUB,C24,C36,,,,,27615,bmse010095,1
38,covalent,SING,C25,C27,,,,,27615,bmse010095,1
39,covalent,SING,C25,C37,,,,,27615,bmse010095,1
40,covalent,SING,C26,C28,,,,,27615,bmse010095,1
41,covalent,SING,C26,C38,,,,,27615,bmse010095,1
42,covalent,SING,C27,C39,,,,,27615,bmse010095,1
43,covalent,SING,C28,C40,,,,,27615,bmse010095,1
44,covalent,DOUB,C29,C31,,,,,27615,bmse010095,1
45,covalent,SING,C29,O41,,,,,27615,bmse010095,1
46,covalent,DOUB,C30,C32,,,,,27615,bmse010095,1
47,covalent,SING,C30,O42,,,,,27615,bmse010095,1
48,covalent,SING,C31,O45,,,,,27615,bmse010095,1
49,covalent,SING,C32,O46,,,,,27615,bmse010095,1
50,covalent,SING,C33,C35,,,,,27615,bmse010095,1
51,covalent,SING,C33,O47,,,,,27615,bmse010095,1
52,covalent,SING,C34,C36,,,,,27615,bmse010095,1
53,covalent,SING,C34,O48,,,,,27615,bmse010095,1
54,covalent,SING,C35,O43,,,,,27615,bmse010095,1
55,covalent,SING,C36,O44,,,,,27615,bmse010095,1
56,covalent,SING,C37,O49,,,,,27615,bmse010095,1
57,covalent,SING,C38,O50,,,,,27615,bmse010095,1
58,covalent,SING,C39,O51,,,,,27615,bmse010095,1
59,covalent,SING,C40,O52,,,,,27615,bmse010095,1
60,covalent,SING,C1,H53,,,,,27615,bmse010095,1
61,covalent,SING,C1,H54,,,,,27615,bmse010095,1
62,covalent,SING,C1,H55,,,,,27615,bmse010095,1
63,covalent,SING,C2,H57,,,,,27615,bmse010095,1
64,covalent,SING,C2,H56,,,,,27615,bmse010095,1
65,covalent,SING,C2,H58,,,,,27615,bmse010095,1
66,covalent,SING,C3,H61,,,,,27615,bmse010095,1
67,covalent,SING,C3,H60,,,,,27615,bmse010095,1
68,covalent,SING,C3,H59,,,,,27615,bmse010095,1
69,covalent,SING,C4,H62,,,,,27615,bmse010095,1
70,covalent,SING,C4,H63,,,,,27615,bmse010095,1
71,covalent,SING,C4,H64,,,,,27615,bmse010095,1
72,covalent,SING,C5,H65,,,,,27615,bmse010095,1
73,covalent,SING,C6,H66,,,,,27615,bmse010095,1
74,covalent,SING,C7,H67,,,,,27615,bmse010095,1
75,covalent,SING,C8,H68,,,,,27615,bmse010095,1
76,covalent,SING,C9,H69,,,,,27615,bmse010095,1
77,covalent,SING,C10,H70,,,,,27615,bmse010095,1
78,covalent,SING,C11,H71,,,,,27615,bmse010095,1
79,covalent,SING,C12,H72,,,,,27615,bmse010095,1
80,covalent,SING,C13,H73,,,,,27615,bmse010095,1
81,covalent,SING,C14,H74,,,,,27615,bmse010095,1
82,covalent,SING,C15,H75,,,,,27615,bmse010095,1
83,covalent,SING,C15,H76,,,,,27615,bmse010095,1
84,covalent,SING,C16,H77,,,,,27615,bmse010095,1
85,covalent,SING,C16,H78,,,,,27615,bmse010095,1
86,covalent,SING,C17,H79,,,,,27615,bmse010095,1
87,covalent,SING,C17,H80,,,,,27615,bmse010095,1
88,covalent,SING,C18,H81,,,,,27615,bmse010095,1
89,covalent,SING,C18,H82,,,,,27615,bmse010095,1
90,covalent,SING,C25,H83,,,,,27615,bmse010095,1
91,covalent,SING,C26,H84,,,,,27615,bmse010095,1
92,covalent,SING,C27,H85,,,,,27615,bmse010095,1
93,covalent,SING,C28,H86,,,,,27615,bmse010095,1
94,covalent,SING,C37,H87,,,,,27615,bmse010095,1
95,covalent,SING,C38,H88,,,,,27615,bmse010095,1
96,covalent,SING,C39,H89,,,,,27615,bmse010095,1
97,covalent,SING,C40,H90,,,,,27615,bmse010095,1
98,covalent,SING,O41,H91,,,,,27615,bmse010095,1
99,covalent,SING,O42,H92,,,,,27615,bmse010095,1
100,covalent,SING,O43,H93,,,,,27615,bmse010095,1
101,covalent,SING,O44,H94,,,,,27615,bmse010095,1
1,covalent,SING,C1,C23,,,,,27635,bmse010096,1
2,covalent,SING,C2,C24,,,,,27635,bmse010096,1
3,covalent,SING,C3,C25,,,,,27635,bmse010096,1
4,covalent,SING,C4,C26,,,,,27635,bmse010096,1
5,covalent,SING,C5,O53,,,,,27635,bmse010096,1
6,covalent,SING,C6,O54,,,,,27635,bmse010096,1
7,covalent,SING,C7,O55,,,,,27635,bmse010096,1
8,covalent,SING,C8,O56,,,,,27635,bmse010096,1
9,covalent,DOUB,C9,C11,,,,,27635,bmse010096,1
10,covalent,SING,C9,C27,,,,,27635,bmse010096,1
11,covalent,DOUB,C10,C12,,,,,27635,bmse010096,1
12,covalent,SING,C10,C28,,,,,27635,bmse010096,1
13,covalent,SING,C11,C37,,,,,27635,bmse010096,1
14,covalent,SING,C12,C38,,,,,27635,bmse010096,1
15,covalent,DOUB,C13,C29,,,,,27635,bmse010096,1
16,covalent,SING,C13,C31,,,,,27635,bmse010096,1
17,covalent,DOUB,C14,C30,,,,,27635,bmse010096,1
18,covalent,SING,C14,C32,,,,,27635,bmse010096,1
19,covalent,DOUB,C15,C27,,,,,27635,bmse010096,1
20,covalent,SING,C15,C39,,,,,27635,bmse010096,1
21,covalent,DOUB,C16,C28,,,,,27635,bmse010096,1
22,covalent,SING,C16,C40,,,,,27635,bmse010096,1
23,covalent,SING,C17,C29,,,,,27635,bmse010096,1
24,covalent,DOUB,C17,C41,,,,,27635,bmse010096,1
25,covalent,SING,C18,C30,,,,,27635,bmse010096,1
26,covalent,DOUB,C18,C42,,,,,27635,bmse010096,1
27,covalent,SING,C19,C33,,,,,27635,bmse010096,1
28,covalent,SING,C19,O59,,,,,27635,bmse010096,1
29,covalent,SING,C20,C34,,,,,27635,bmse010096,1
30,covalent,SING,C20,O60,,,,,27635,bmse010096,1
31,covalent,SING,C21,C35,,,,,27635,bmse010096,1
32,covalent,SING,C21,O57,,,,,27635,bmse010096,1
33,covalent,SING,C22,C36,,,,,27635,bmse010096,1
34,covalent,SING,C22,O58,,,,,27635,bmse010096,1
35,covalent,DOUB,C23,O49,,,,,27635,bmse010096,1
36,covalent,SING,C23,O61,,,,,27635,bmse010096,1
37,covalent,DOUB,C24,O50,,,,,27635,bmse010096,1
38,covalent,SING,C24,O62,,,,,27635,bmse010096,1
39,covalent,DOUB,C25,O51,,,,,27635,bmse010096,1
40,covalent,SING,C25,O63,,,,,27635,bmse010096,1
41,covalent,DOUB,C26,O52,,,,,27635,bmse010096,1
42,covalent,SING,C26,O64,,,,,27635,bmse010096,1
43,covalent,SING,C27,C43,,,,,27635,bmse010096,1
44,covalent,SING,C28,C44,,,,,27635,bmse010096,1
45,covalent,SING,C29,C45,,,,,27635,bmse010096,1
46,covalent,SING,C30,C46,,,,,27635,bmse010096,1
47,covalent,SING,C31,C32,,,,,27635,bmse010096,1
48,covalent,DOUB,C31,C47,,,,,27635,bmse010096,1
49,covalent,DOUB,C32,C48,,,,,27635,bmse010096,1
50,covalent,SING,C33,C35,,,,,27635,bmse010096,1
51,covalent,SING,C33,C43,,,,,27635,bmse010096,1
52,covalent,SING,C34,C36,,,,,27635,bmse010096,1
53,covalent,SING,C34,C44,,,,,27635,bmse010096,1
54,covalent,SING,C35,C45,,,,,27635,bmse010096,1
55,covalent,SING,C36,C46,,,,,27635,bmse010096,1
56,covalent,DOUB,C37,C39,,,,,27635,bmse010096,1
57,covalent,SING,C37,O61,,,,,27635,bmse010096,1
58,covalent,DOUB,C38,C40,,,,,27635,bmse010096,1
59,covalent,SING,C38,O62,,,,,27635,bmse010096,1
60,covalent,SING,C39,O53,,,,,27635,bmse010096,1
61,covalent,SING,C40,O54,,,,,27635,bmse010096,1
62,covalent,SING,C41,C47,,,,,27635,bmse010096,1
63,covalent,SING,C41,O55,,,,,27635,bmse010096,1
64,covalent,SING,C42,C48,,,,,27635,bmse010096,1
65,covalent,SING,C42,O56,,,,,27635,bmse010096,1
66,covalent,SING,C43,O57,,,,,27635,bmse010096,1
67,covalent,SING,C44,O58,,,,,27635,bmse010096,1
68,covalent,SING,C45,O59,,,,,27635,bmse010096,1
69,covalent,SING,C46,O60,,,,,27635,bmse010096,1
70,covalent,SING,C47,O63,,,,,27635,bmse010096,1
71,covalent,SING,C48,O64,,,,,27635,bmse010096,1
72,covalent,SING,C1,H67,,,,,27635,bmse010096,1
73,covalent,SING,C1,H65,,,,,27635,bmse010096,1
74,covalent,SING,C1,H66,,,,,27635,bmse010096,1
75,covalent,SING,C2,H69,,,,,27635,bmse010096,1
76,covalent,SING,C2,H68,,,,,27635,bmse010096,1
77,covalent,SING,C2,H70,,,,,27635,bmse010096,1
78,covalent,SING,C3,H73,,,,,27635,bmse010096,1
79,covalent,SING,C3,H71,,,,,27635,bmse010096,1
80,covalent,SING,C3,H72,,,,,27635,bmse010096,1
81,covalent,SING,C4,H75,,,,,27635,bmse010096,1
82,covalent,SING,C4,H74,,,,,27635,bmse010096,1
83,covalent,SING,C4,H76,,,,,27635,bmse010096,1
84,covalent,SING,C5,H77,,,,,27635,bmse010096,1
85,covalent,SING,C5,H78,,,,,27635,bmse010096,1
86,covalent,SING,C5,H79,,,,,27635,bmse010096,1
87,covalent,SING,C6,H81,,,,,27635,bmse010096,1
88,covalent,SING,C6,H80,,,,,27635,bmse010096,1
89,covalent,SING,C6,H82,,,,,27635,bmse010096,1
90,covalent,SING,C7,H84,,,,,27635,bmse010096,1
91,covalent,SING,C7,H85,,,,,27635,bmse010096,1
92,covalent,SING,C7,H83,,,,,27635,bmse010096,1
93,covalent,SING,C8,H86,,,,,27635,bmse010096,1
94,covalent,SING,C8,H88,,,,,27635,bmse010096,1
95,covalent,SING,C8,H87,,,,,27635,bmse010096,1
96,covalent,SING,C9,H89,,,,,27635,bmse010096,1
97,covalent,SING,C10,H90,,,,,27635,bmse010096,1
98,covalent,SING,C11,H91,,,,,27635,bmse010096,1
99,covalent,SING,C12,H92,,,,,27635,bmse010096,1
100,covalent,SING,C13,H93,,,,,27635,bmse010096,1
101,covalent,SING,C14,H94,,,,,27635,bmse010096,1
102,covalent,SING,C15,H95,,,,,27635,bmse010096,1
103,covalent,SING,C16,H96,,,,,27635,bmse010096,1
104,covalent,SING,C17,H97,,,,,27635,bmse010096,1
105,covalent,SING,C18,H98,,,,,27635,bmse010096,1
106,covalent,SING,C19,H99,,,,,27635,bmse010096,1
107,covalent,SING,C19,H100,,,,,27635,bmse010096,1
108,covalent,SING,C20,H101,,,,,27635,bmse010096,1
109,covalent,SING,C20,H102,,,,,27635,bmse010096,1
110,covalent,SING,C21,H103,,,,,27635,bmse010096,1
111,covalent,SING,C21,H104,,,,,27635,bmse010096,1
112,covalent,SING,C22,H105,,,,,27635,bmse010096,1
113,covalent,SING,C22,H106,,,,,27635,bmse010096,1
114,covalent,SING,C33,H107,,,,,27635,bmse010096,1
115,covalent,SING,C34,H108,,,,,27635,bmse010096,1
116,covalent,SING,C35,H109,,,,,27635,bmse010096,1
117,covalent,SING,C36,H110,,,,,27635,bmse010096,1
118,covalent,SING,C43,H111,,,,,27635,bmse010096,1
119,covalent,SING,C44,H112,,,,,27635,bmse010096,1
120,covalent,SING,C45,H113,,,,,27635,bmse010096,1
121,covalent,SING,C46,H114,,,,,27635,bmse010096,1
1,covalent,SING,C1,C3,,,,,27655,bmse010097,1
2,covalent,SING,C2,O12,,,,,27655,bmse010097,1
3,covalent,SING,C3,O13,,,,,27655,bmse010097,1
4,covalent,DOUB,C4,C5,,,,,27655,bmse010097,1
5,covalent,SING,C4,C8,,,,,27655,bmse010097,1
6,covalent,SING,C5,C9,,,,,27655,bmse010097,1
7,covalent,DOUB,C6,C8,,,,,27655,bmse010097,1
8,covalent,SING,C6,C10,,,,,27655,bmse010097,1
9,covalent,SING,C7,C8,,,,,27655,bmse010097,1
10,covalent,DOUB,C7,O11,,,,,27655,bmse010097,1
11,covalent,DOUB,C9,C10,,,,,27655,bmse010097,1
12,covalent,SING,C9,O13,,,,,27655,bmse010097,1
13,covalent,SING,C10,O12,,,,,27655,bmse010097,1
14,covalent,SING,C1,H14,,,,,27655,bmse010097,1
15,covalent,SING,C1,H15,,,,,27655,bmse010097,1
16,covalent,SING,C1,H16,,,,,27655,bmse010097,1
17,covalent,SING,C2,H17,,,,,27655,bmse010097,1
18,covalent,SING,C2,H18,,,,,27655,bmse010097,1
19,covalent,SING,C2,H19,,,,,27655,bmse010097,1
20,covalent,SING,C3,H20,,,,,27655,bmse010097,1
21,covalent,SING,C3,H21,,,,,27655,bmse010097,1
22,covalent,SING,C4,H22,,,,,27655,bmse010097,1
23,covalent,SING,C5,H23,,,,,27655,bmse010097,1
24,covalent,SING,C6,H24,,,,,27655,bmse010097,1
25,covalent,SING,C7,H25,,,,,27655,bmse010097,1
1,covalent,SING,C1,C11,,,,,27672,bmse010098,1
2,covalent,SING,C2,C12,,,,,27672,bmse010098,1
3,covalent,SING,C3,C23,,,,,27672,bmse010098,1
4,covalent,SING,C4,C24,,,,,27672,bmse010098,1
5,covalent,SING,C5,C25,,,,,27672,bmse010098,1
6,covalent,SING,C6,C26,,,,,27672,bmse010098,1
7,covalent,SING,C7,O47,,,,,27672,bmse010098,1
8,covalent,SING,C8,O48,,,,,27672,bmse010098,1
9,covalent,SING,C9,O49,,,,,27672,bmse010098,1
10,covalent,SING,C10,O50,,,,,27672,bmse010098,1
11,covalent,SING,C11,C13,,,,,27672,bmse010098,1
12,covalent,SING,C12,C14,,,,,27672,bmse010098,1
13,covalent,SING,C13,C27,,,,,27672,bmse010098,1
14,covalent,SING,C14,C28,,,,,27672,bmse010098,1
15,covalent,DOUB,C15,C27,,,,,27672,bmse010098,1
16,covalent,SING,C15,C31,,,,,27672,bmse010098,1
17,covalent,DOUB,C16,C28,,,,,27672,bmse010098,1
18,covalent,SING,C16,C32,,,,,27672,bmse010098,1
19,covalent,SING,C17,C27,,,,,27672,bmse010098,1
20,covalent,DOUB,C17,C35,,,,,27672,bmse010098,1
21,covalent,SING,C18,C28,,,,,27672,bmse010098,1
22,covalent,DOUB,C18,C36,,,,,27672,bmse010098,1
23,covalent,DOUB,C19,C29,,,,,27672,bmse010098,1
24,covalent,SING,C19,C33,,,,,27672,bmse010098,1
25,covalent,DOUB,C20,C30,,,,,27672,bmse010098,1
26,covalent,SING,C20,C34,,,,,27672,bmse010098,1
27,covalent,SING,C21,C29,,,,,27672,bmse010098,1
28,covalent,DOUB,C21,C37,,,,,27672,bmse010098,1
29,covalent,SING,C22,C30,,,,,27672,bmse010098,1
30,covalent,DOUB,C22,C38,,,,,27672,bmse010098,1
31,covalent,SING,C23,C31,,,,,27672,bmse010098,1
32,covalent,SING,C23,C39,,,,,27672,bmse010098,1
33,covalent,SING,C24,C32,,,,,27672,bmse010098,1
34,covalent,SING,C24,C40,,,,,27672,bmse010098,1
35,covalent,DOUB,C25,O45,,,,,27672,bmse010098,1
36,covalent,SING,C25,O51,,,,,27672,bmse010098,1
37,covalent,DOUB,C26,O46,,,,,27672,bmse010098,1
38,covalent,SING,C26,O52,,,,,27672,bmse010098,1
39,covalent,SING,C29,C39,,,,,27672,bmse010098,1
40,covalent,SING,C30,C40,,,,,27672,bmse010098,1
41,covalent,DOUB,C31,C41,,,,,27672,bmse010098,1
42,covalent,DOUB,C32,C42,,,,,27672,bmse010098,1
43,covalent,SING,C33,C34,,,,,27672,bmse010098,1
44,covalent,DOUB,C33,C43,,,,,27672,bmse010098,1
45,covalent,DOUB,C34,C44,,,,,27672,bmse010098,1
46,covalent,SING,C35,C41,,,,,27672,bmse010098,1
47,covalent,SING,C35,O47,,,,,27672,bmse010098,1
48,covalent,SING,C36,C42,,,,,27672,bmse010098,1
49,covalent,SING,C36,O48,,,,,27672,bmse010098,1
50,covalent,SING,C37,C43,,,,,27672,bmse010098,1
51,covalent,SING,C37,O49,,,,,27672,bmse010098,1
52,covalent,SING,C38,C44,,,,,27672,bmse010098,1
53,covalent,SING,C38,O50,,,,,27672,bmse010098,1
54,covalent,SING,C39,O53,,,,,27672,bmse010098,1
55,covalent,SING,C40,O54,,,,,27672,bmse010098,1
56,covalent,SING,C41,O53,,,,,27672,bmse010098,1
57,covalent,SING,C42,O54,,,,,27672,bmse010098,1
58,covalent,SING,C43,O51,,,,,27672,bmse010098,1
59,covalent,SING,C44,O52,,,,,27672,bmse010098,1
60,covalent,SING,C1,H56,,,,,27672,bmse010098,1
61,covalent,SING,C1,H55,,,,,27672,bmse010098,1
62,covalent,SING,C1,H57,,,,,27672,bmse010098,1
63,covalent,SING,C2,H58,,,,,27672,bmse010098,1
64,covalent,SING,C2,H59,,,,,27672,bmse010098,1
65,covalent,SING,C2,H60,,,,,27672,bmse010098,1
66,covalent,SING,C3,H62,,,,,27672,bmse010098,1
67,covalent,SING,C3,H63,,,,,27672,bmse010098,1
68,covalent,SING,C3,H61,,,,,27672,bmse010098,1
69,covalent,SING,C4,H64,,,,,27672,bmse010098,1
70,covalent,SING,C4,H66,,,,,27672,bmse010098,1
71,covalent,SING,C4,H65,,,,,27672,bmse010098,1
72,covalent,SING,C5,H69,,,,,27672,bmse010098,1
73,covalent,SING,C5,H67,,,,,27672,bmse010098,1
74,covalent,SING,C5,H68,,,,,27672,bmse010098,1
75,covalent,SING,C6,H72,,,,,27672,bmse010098,1
76,covalent,SING,C6,H71,,,,,27672,bmse010098,1
77,covalent,SING,C6,H70,,,,,27672,bmse010098,1
78,covalent,SING,C7,H74,,,,,27672,bmse010098,1
79,covalent,SING,C7,H75,,,,,27672,bmse010098,1
80,covalent,SING,C7,H73,,,,,27672,bmse010098,1
81,covalent,SING,C8,H78,,,,,27672,bmse010098,1
82,covalent,SING,C8,H77,,,,,27672,bmse010098,1
83,covalent,SING,C8,H76,,,,,27672,bmse010098,1
84,covalent,SING,C9,H80,,,,,27672,bmse010098,1
85,covalent,SING,C9,H79,,,,,27672,bmse010098,1
86,covalent,SING,C9,H81,,,,,27672,bmse010098,1
87,covalent,SING,C10,H82,,,,,27672,bmse010098,1
88,covalent,SING,C10,H84,,,,,27672,bmse010098,1
89,covalent,SING,C10,H83,,,,,27672,bmse010098,1
90,covalent,SING,C11,H85,,,,,27672,bmse010098,1
91,covalent,SING,C11,H86,,,,,27672,bmse010098,1
92,covalent,SING,C12,H87,,,,,27672,bmse010098,1
93,covalent,SING,C12,H88,,,,,27672,bmse010098,1
94,covalent,SING,C13,H89,,,,,27672,bmse010098,1
95,covalent,SING,C13,H90,,,,,27672,bmse010098,1
96,covalent,SING,C14,H91,,,,,27672,bmse010098,1
97,covalent,SING,C14,H92,,,,,27672,bmse010098,1
98,covalent,SING,C15,H93,,,,,27672,bmse010098,1
99,covalent,SING,C16,H94,,,,,27672,bmse010098,1
100,covalent,SING,C17,H95,,,,,27672,bmse010098,1
101,covalent,SING,C18,H96,,,,,27672,bmse010098,1
102,covalent,SING,C19,H97,,,,,27672,bmse010098,1
103,covalent,SING,C20,H98,,,,,27672,bmse010098,1
104,covalent,SING,C21,H99,,,,,27672,bmse010098,1
105,covalent,SING,C22,H100,,,,,27672,bmse010098,1
106,covalent,SING,C23,H101,,,,,27672,bmse010098,1
107,covalent,SING,C24,H102,,,,,27672,bmse010098,1
108,covalent,SING,C39,H103,,,,,27672,bmse010098,1
109,covalent,SING,C40,H104,,,,,27672,bmse010098,1
1,covalent,SING,C1,C9,,,,,27692,bmse010099,1
2,covalent,SING,C2,C10,,,,,27692,bmse010099,1
3,covalent,SING,C3,C21,,,,,27692,bmse010099,1
4,covalent,SING,C4,C22,,,,,27692,bmse010099,1
5,covalent,SING,C5,O43,,,,,27692,bmse010099,1
6,covalent,SING,C6,O44,,,,,27692,bmse010099,1
7,covalent,SING,C7,O45,,,,,27692,bmse010099,1
8,covalent,SING,C8,O46,,,,,27692,bmse010099,1
9,covalent,SING,C9,C11,,,,,27692,bmse010099,1
10,covalent,SING,C10,C12,,,,,27692,bmse010099,1
11,covalent,SING,C11,C23,,,,,27692,bmse010099,1
12,covalent,SING,C12,C24,,,,,27692,bmse010099,1
13,covalent,DOUB,C13,C23,,,,,27692,bmse010099,1
14,covalent,SING,C13,C27,,,,,27692,bmse010099,1
15,covalent,DOUB,C14,C24,,,,,27692,bmse010099,1
16,covalent,SING,C14,C28,,,,,27692,bmse010099,1
17,covalent,SING,C15,C23,,,,,27692,bmse010099,1
18,covalent,DOUB,C15,C33,,,,,27692,bmse010099,1
19,covalent,SING,C16,C24,,,,,27692,bmse010099,1
20,covalent,DOUB,C16,C34,,,,,27692,bmse010099,1
21,covalent,DOUB,C17,C25,,,,,27692,bmse010099,1
22,covalent,SING,C17,C29,,,,,27692,bmse010099,1
23,covalent,DOUB,C18,C26,,,,,27692,bmse010099,1
24,covalent,SING,C18,C30,,,,,27692,bmse010099,1
25,covalent,SING,C19,C25,,,,,27692,bmse010099,1
26,covalent,DOUB,C19,C31,,,,,27692,bmse010099,1
27,covalent,SING,C20,C26,,,,,27692,bmse010099,1
28,covalent,DOUB,C20,C32,,,,,27692,bmse010099,1
29,covalent,SING,C21,C27,,,,,27692,bmse010099,1
30,covalent,SING,C21,C37,,,,,27692,bmse010099,1
31,covalent,SING,C22,C28,,,,,27692,bmse010099,1
32,covalent,SING,C22,C38,,,,,27692,bmse010099,1
33,covalent,SING,C25,C37,,,,,27692,bmse010099,1
34,covalent,SING,C26,C38,,,,,27692,bmse010099,1
35,covalent,DOUB,C27,C39,,,,,27692,bmse010099,1
36,covalent,DOUB,C28,C40,,,,,27692,bmse010099,1
37,covalent,SING,C29,C30,,,,,27692,bmse010099,1
38,covalent,DOUB,C29,C35,,,,,27692,bmse010099,1
39,covalent,DOUB,C30,C36,,,,,27692,bmse010099,1
40,covalent,SING,C31,C35,,,,,27692,bmse010099,1
41,covalent,SING,C31,O43,,,,,27692,bmse010099,1
42,covalent,SING,C32,C36,,,,,27692,bmse010099,1
43,covalent,SING,C32,O44,,,,,27692,bmse010099,1
44,covalent,SING,C33,C39,,,,,27692,bmse010099,1
45,covalent,SING,C33,O45,,,,,27692,bmse010099,1
46,covalent,SING,C34,C40,,,,,27692,bmse010099,1
47,covalent,SING,C34,O46,,,,,27692,bmse010099,1
48,covalent,SING,C35,O41,,,,,27692,bmse010099,1
49,covalent,SING,C36,O42,,,,,27692,bmse010099,1
50,covalent,SING,C37,O47,,,,,27692,bmse010099,1
51,covalent,SING,C38,O48,,,,,27692,bmse010099,1
52,covalent,SING,C39,O47,,,,,27692,bmse010099,1
53,covalent,SING,C40,O48,,,,,27692,bmse010099,1
54,covalent,SING,C1,H50,,,,,27692,bmse010099,1
55,covalent,SING,C1,H49,,,,,27692,bmse010099,1
56,covalent,SING,C1,H51,,,,,27692,bmse010099,1
57,covalent,SING,C2,H52,,,,,27692,bmse010099,1
58,covalent,SING,C2,H54,,,,,27692,bmse010099,1
59,covalent,SING,C2,H53,,,,,27692,bmse010099,1
60,covalent,SING,C3,H56,,,,,27692,bmse010099,1
61,covalent,SING,C3,H57,,,,,27692,bmse010099,1
62,covalent,SING,C3,H55,,,,,27692,bmse010099,1
63,covalent,SING,C4,H58,,,,,27692,bmse010099,1
64,covalent,SING,C4,H60,,,,,27692,bmse010099,1
65,covalent,SING,C4,H59,,,,,27692,bmse010099,1
66,covalent,SING,C5,H63,,,,,27692,bmse010099,1
67,covalent,SING,C5,H62,,,,,27692,bmse010099,1
68,covalent,SING,C5,H61,,,,,27692,bmse010099,1
69,covalent,SING,C6,H66,,,,,27692,bmse010099,1
70,covalent,SING,C6,H65,,,,,27692,bmse010099,1
71,covalent,SING,C6,H64,,,,,27692,bmse010099,1
72,covalent,SING,C7,H68,,,,,27692,bmse010099,1
73,covalent,SING,C7,H69,,,,,27692,bmse010099,1
74,covalent,SING,C7,H67,,,,,27692,bmse010099,1
75,covalent,SING,C8,H70,,,,,27692,bmse010099,1
76,covalent,SING,C8,H72,,,,,27692,bmse010099,1
77,covalent,SING,C8,H71,,,,,27692,bmse010099,1
78,covalent,SING,C9,H73,,,,,27692,bmse010099,1
79,covalent,SING,C9,H74,,,,,27692,bmse010099,1
80,covalent,SING,C10,H75,,,,,27692,bmse010099,1
81,covalent,SING,C10,H76,,,,,27692,bmse010099,1
82,covalent,SING,C11,H77,,,,,27692,bmse010099,1
83,covalent,SING,C11,H78,,,,,27692,bmse010099,1
84,covalent,SING,C12,H79,,,,,27692,bmse010099,1
85,covalent,SING,C12,H80,,,,,27692,bmse010099,1
86,covalent,SING,C13,H81,,,,,27692,bmse010099,1
87,covalent,SING,C14,H82,,,,,27692,bmse010099,1
88,covalent,SING,C15,H83,,,,,27692,bmse010099,1
89,covalent,SING,C16,H84,,,,,27692,bmse010099,1
90,covalent,SING,C17,H85,,,,,27692,bmse010099,1
91,covalent,SING,C18,H86,,,,,27692,bmse010099,1
92,covalent,SING,C19,H87,,,,,27692,bmse010099,1
93,covalent,SING,C20,H88,,,,,27692,bmse010099,1
94,covalent,SING,C21,H89,,,,,27692,bmse010099,1
95,covalent,SING,C22,H90,,,,,27692,bmse010099,1
96,covalent,SING,C37,H91,,,,,27692,bmse010099,1
97,covalent,SING,C38,H92,,,,,27692,bmse010099,1
98,covalent,SING,O41,H93,,,,,27692,bmse010099,1
99,covalent,SING,O42,H94,,,,,27692,bmse010099,1
1,covalent,SING,C1,O22,,,,,27712,bmse010100,1
2,covalent,SING,C2,O23,,,,,27712,bmse010100,1
3,covalent,DOUB,C3,C5,,,,,27712,bmse010100,1
4,covalent,SING,C3,C10,,,,,27712,bmse010100,1
5,covalent,DOUB,C4,C6,,,,,27712,bmse010100,1
6,covalent,SING,C4,C11,,,,,27712,bmse010100,1
7,covalent,SING,C5,C13,,,,,27712,bmse010100,1
8,covalent,SING,C6,C14,,,,,27712,bmse010100,1
9,covalent,DOUB,C7,C10,,,,,27712,bmse010100,1
10,covalent,SING,C7,C15,,,,,27712,bmse010100,1
11,covalent,DOUB,C8,C11,,,,,27712,bmse010100,1
12,covalent,SING,C8,C16,,,,,27712,bmse010100,1
13,covalent,SING,C9,C12,,,,,27712,bmse010100,1
14,covalent,SING,C9,O18,,,,,27712,bmse010100,1
15,covalent,SING,C10,C12,,,,,27712,bmse010100,1
16,covalent,SING,C11,C17,,,,,27712,bmse010100,1
17,covalent,SING,C12,C17,,,,,27712,bmse010100,1
18,covalent,DOUB,C13,C15,,,,,27712,bmse010100,1
19,covalent,SING,C13,O19,,,,,27712,bmse010100,1
20,covalent,DOUB,C14,C16,,,,,27712,bmse010100,1
21,covalent,SING,C14,O20,,,,,27712,bmse010100,1
22,covalent,SING,C15,O22,,,,,27712,bmse010100,1
23,covalent,SING,C16,O23,,,,,27712,bmse010100,1
24,covalent,SING,C17,O21,,,,,27712,bmse010100,1
25,covalent,SING,C1,H25,,,,,27712,bmse010100,1
26,covalent,SING,C1,H26,,,,,27712,bmse010100,1
27,covalent,SING,C1,H24,,,,,27712,bmse010100,1
28,covalent,SING,C2,H29,,,,,27712,bmse010100,1
29,covalent,SING,C2,H27,,,,,27712,bmse010100,1
30,covalent,SING,C2,H28,,,,,27712,bmse010100,1
31,covalent,SING,C3,H30,,,,,27712,bmse010100,1
32,covalent,SING,C4,H31,,,,,27712,bmse010100,1
33,covalent,SING,C5,H32,,,,,27712,bmse010100,1
34,covalent,SING,C6,H33,,,,,27712,bmse010100,1
35,covalent,SING,C7,H34,,,,,27712,bmse010100,1
36,covalent,SING,C8,H35,,,,,27712,bmse010100,1
37,covalent,SING,C9,H36,,,,,27712,bmse010100,1
38,covalent,SING,C9,H37,,,,,27712,bmse010100,1
39,covalent,SING,C12,H38,,,,,27712,bmse010100,1
40,covalent,SING,C17,H39,,,,,27712,bmse010100,1
41,covalent,SING,O18,H40,,,,,27712,bmse010100,1
42,covalent,SING,O19,H41,,,,,27712,bmse010100,1
43,covalent,SING,O20,H42,,,,,27712,bmse010100,1
44,covalent,SING,O21,H43,,,,,27712,bmse010100,1
1,covalent,SING,C1,C7,,,,,27732,bmse010101,1
2,covalent,SING,C2,C8,,,,,27732,bmse010101,1
3,covalent,SING,C3,C5,,,,,27732,bmse010101,1
4,covalent,DOUB,C3,C9,,,,,27732,bmse010101,1
5,covalent,DOUB,C4,C6,,,,,27732,bmse010101,1
6,covalent,SING,C4,C9,,,,,27732,bmse010101,1
7,covalent,DOUB,C5,C10,,,,,27732,bmse010101,1
8,covalent,SING,C6,C10,,,,,27732,bmse010101,1
9,covalent,SING,C7,C9,,,,,27732,bmse010101,1
10,covalent,DOUB,C7,O11,,,,,27732,bmse010101,1
11,covalent,DOUB,C8,O12,,,,,27732,bmse010101,1
12,covalent,SING,C8,O13,,,,,27732,bmse010101,1
13,covalent,SING,C10,O13,,,,,27732,bmse010101,1
14,covalent,SING,C1,H14,,,,,27732,bmse010101,1
15,covalent,SING,C1,H15,,,,,27732,bmse010101,1
16,covalent,SING,C1,H16,,,,,27732,bmse010101,1
17,covalent,SING,C2,H17,,,,,27732,bmse010101,1
18,covalent,SING,C2,H18,,,,,27732,bmse010101,1
19,covalent,SING,C2,H19,,,,,27732,bmse010101,1
20,covalent,SING,C3,H20,,,,,27732,bmse010101,1
21,covalent,SING,C4,H21,,,,,27732,bmse010101,1
22,covalent,SING,C5,H22,,,,,27732,bmse010101,1
23,covalent,SING,C6,H23,,,,,27732,bmse010101,1
1,covalent,SING,C1,C7,,,,,27752,bmse010102,1
2,covalent,SING,C2,O13,,,,,27752,bmse010102,1
3,covalent,DOUB,C3,C4,,,,,27752,bmse010102,1
4,covalent,SING,C3,C8,,,,,27752,bmse010102,1
5,covalent,SING,C4,C9,,,,,27752,bmse010102,1
6,covalent,DOUB,C5,C8,,,,,27752,bmse010102,1
7,covalent,SING,C5,C10,,,,,27752,bmse010102,1
8,covalent,SING,C6,C8,,,,,27752,bmse010102,1
9,covalent,DOUB,C6,O11,,,,,27752,bmse010102,1
10,covalent,DOUB,C7,O12,,,,,27752,bmse010102,1
11,covalent,SING,C7,O14,,,,,27752,bmse010102,1
12,covalent,DOUB,C9,C10,,,,,27752,bmse010102,1
13,covalent,SING,C9,O14,,,,,27752,bmse010102,1
14,covalent,SING,C10,O13,,,,,27752,bmse010102,1
15,covalent,SING,C1,H16,,,,,27752,bmse010102,1
16,covalent,SING,C1,H15,,,,,27752,bmse010102,1
17,covalent,SING,C1,H17,,,,,27752,bmse010102,1
18,covalent,SING,C2,H19,,,,,27752,bmse010102,1
19,covalent,SING,C2,H20,,,,,27752,bmse010102,1
20,covalent,SING,C2,H18,,,,,27752,bmse010102,1
21,covalent,SING,C3,H21,,,,,27752,bmse010102,1
22,covalent,SING,C4,H22,,,,,27752,bmse010102,1
23,covalent,SING,C5,H23,,,,,27752,bmse010102,1
24,covalent,SING,C6,H24,,,,,27752,bmse010102,1
1,covalent,SING,C1,C6,,,,,27772,bmse010103,1
2,covalent,SING,C2,O15,,,,,27772,bmse010103,1
3,covalent,SING,C3,O16,,,,,27772,bmse010103,1
4,covalent,DOUB,C4,C7,,,,,27772,bmse010103,1
5,covalent,SING,C4,C8,,,,,27772,bmse010103,1
6,covalent,SING,C5,C7,,,,,27772,bmse010103,1
7,covalent,DOUB,C5,C9,,,,,27772,bmse010103,1
8,covalent,DOUB,C6,O12,,,,,27772,bmse010103,1
9,covalent,SING,C6,O17,,,,,27772,bmse010103,1
10,covalent,SING,C7,C11,,,,,27772,bmse010103,1
11,covalent,DOUB,C8,C10,,,,,27772,bmse010103,1
12,covalent,SING,C8,O15,,,,,27772,bmse010103,1
13,covalent,SING,C9,C10,,,,,27772,bmse010103,1
14,covalent,SING,C9,O16,,,,,27772,bmse010103,1
15,covalent,SING,C10,O17,,,,,27772,bmse010103,1
16,covalent,SING,C11,O13,,,,,27772,bmse010103,1
17,covalent,DOUB,C11,O14,,,,,27772,bmse010103,1
18,covalent,SING,C1,H19,,,,,27772,bmse010103,1
19,covalent,SING,C1,H18,,,,,27772,bmse010103,1
20,covalent,SING,C1,H20,,,,,27772,bmse010103,1
21,covalent,SING,C2,H23,,,,,27772,bmse010103,1
22,covalent,SING,C2,H22,,,,,27772,bmse010103,1
23,covalent,SING,C2,H21,,,,,27772,bmse010103,1
24,covalent,SING,C3,H25,,,,,27772,bmse010103,1
25,covalent,SING,C3,H24,,,,,27772,bmse010103,1
26,covalent,SING,C3,H26,,,,,27772,bmse010103,1
27,covalent,SING,C4,H27,,,,,27772,bmse010103,1
28,covalent,SING,C5,H28,,,,,27772,bmse010103,1
29,covalent,SING,O13,H29,,,,,27772,bmse010103,1
1,covalent,SING,C1,C7,,,,,27792,bmse010104,1
2,covalent,SING,C2,O11,,,,,27792,bmse010104,1
3,covalent,DOUB,C3,C4,,,,,27792,bmse010104,1
4,covalent,SING,C3,C5,,,,,27792,bmse010104,1
5,covalent,SING,C4,C6,,,,,27792,bmse010104,1
6,covalent,DOUB,C5,C8,,,,,27792,bmse010104,1
7,covalent,DOUB,C6,C9,,,,,27792,bmse010104,1
8,covalent,DOUB,C7,O10,,,,,27792,bmse010104,1
9,covalent,SING,C7,O12,,,,,27792,bmse010104,1
10,covalent,SING,C8,C9,,,,,27792,bmse010104,1
11,covalent,SING,C8,O11,,,,,27792,bmse010104,1
12,covalent,SING,C9,O12,,,,,27792,bmse010104,1
13,covalent,SING,C1,H15,,,,,27792,bmse010104,1
14,covalent,SING,C1,H14,,,,,27792,bmse010104,1
15,covalent,SING,C1,H13,,,,,27792,bmse010104,1
16,covalent,SING,C2,H16,,,,,27792,bmse010104,1
17,covalent,SING,C2,H18,,,,,27792,bmse010104,1
18,covalent,SING,C2,H17,,,,,27792,bmse010104,1
19,covalent,SING,C3,H19,,,,,27792,bmse010104,1
20,covalent,SING,C4,H20,,,,,27792,bmse010104,1
21,covalent,SING,C5,H21,,,,,27792,bmse010104,1
22,covalent,SING,C6,H22,,,,,27792,bmse010104,1
1,covalent,SING,C1,C7,,,,,27812,bmse010105,1
2,covalent,SING,C2,C8,,,,,27812,bmse010105,1
3,covalent,SING,C3,O15,,,,,27812,bmse010105,1
4,covalent,SING,C4,O16,,,,,27812,bmse010105,1
5,covalent,DOUB,C5,C9,,,,,27812,bmse010105,1
6,covalent,SING,C5,C10,,,,,27812,bmse010105,1
7,covalent,SING,C6,C9,,,,,27812,bmse010105,1
8,covalent,DOUB,C6,C11,,,,,27812,bmse010105,1
9,covalent,SING,C7,C9,,,,,27812,bmse010105,1
10,covalent,DOUB,C7,O13,,,,,27812,bmse010105,1
11,covalent,DOUB,C8,O14,,,,,27812,bmse010105,1
12,covalent,SING,C8,O17,,,,,27812,bmse010105,1
13,covalent,DOUB,C10,C12,,,,,27812,bmse010105,1
14,covalent,SING,C10,O15,,,,,27812,bmse010105,1
15,covalent,SING,C11,C12,,,,,27812,bmse010105,1
16,covalent,SING,C11,O16,,,,,27812,bmse010105,1
17,covalent,SING,C12,O17,,,,,27812,bmse010105,1
18,covalent,SING,C1,H20,,,,,27812,bmse010105,1
19,covalent,SING,C1,H19,,,,,27812,bmse010105,1
20,covalent,SING,C1,H18,,,,,27812,bmse010105,1
21,covalent,SING,C2,H22,,,,,27812,bmse010105,1
22,covalent,SING,C2,H23,,,,,27812,bmse010105,1
23,covalent,SING,C2,H21,,,,,27812,bmse010105,1
24,covalent,SING,C3,H24,,,,,27812,bmse010105,1
25,covalent,SING,C3,H26,,,,,27812,bmse010105,1
26,covalent,SING,C3,H25,,,,,27812,bmse010105,1
27,covalent,SING,C4,H27,,,,,27812,bmse010105,1
28,covalent,SING,C4,H29,,,,,27812,bmse010105,1
29,covalent,SING,C4,H28,,,,,27812,bmse010105,1
30,covalent,SING,C5,H30,,,,,27812,bmse010105,1
31,covalent,SING,C6,H31,,,,,27812,bmse010105,1
1,covalent,SING,C1,C8,,,,,27832,bmse010106,1
2,covalent,SING,C2,O17,,,,,27832,bmse010106,1
3,covalent,SING,C3,O18,,,,,27832,bmse010106,1
4,covalent,DOUB,C4,C5,,,,,27832,bmse010106,1
5,covalent,SING,C4,C9,,,,,27832,bmse010106,1
6,covalent,SING,C5,C12,,,,,27832,bmse010106,1
7,covalent,DOUB,C6,C9,,,,,27832,bmse010106,1
8,covalent,SING,C6,C10,,,,,27832,bmse010106,1
9,covalent,SING,C7,C9,,,,,27832,bmse010106,1
10,covalent,DOUB,C7,C11,,,,,27832,bmse010106,1
11,covalent,DOUB,C8,O14,,,,,27832,bmse010106,1
12,covalent,SING,C8,O19,,,,,27832,bmse010106,1
13,covalent,DOUB,C10,C13,,,,,27832,bmse010106,1
14,covalent,SING,C10,O17,,,,,27832,bmse010106,1
15,covalent,SING,C11,C13,,,,,27832,bmse010106,1
16,covalent,SING,C11,O18,,,,,27832,bmse010106,1
17,covalent,SING,C12,O15,,,,,27832,bmse010106,1
18,covalent,DOUB,C12,O16,,,,,27832,bmse010106,1
19,covalent,SING,C13,O19,,,,,27832,bmse010106,1
20,covalent,SING,C1,H21,,,,,27832,bmse010106,1
21,covalent,SING,C1,H20,,,,,27832,bmse010106,1
22,covalent,SING,C1,H22,,,,,27832,bmse010106,1
23,covalent,SING,C2,H25,,,,,27832,bmse010106,1
24,covalent,SING,C2,H24,,,,,27832,bmse010106,1
25,covalent,SING,C2,H23,,,,,27832,bmse010106,1
26,covalent,SING,C3,H26,,,,,27832,bmse010106,1
27,covalent,SING,C3,H28,,,,,27832,bmse010106,1
28,covalent,SING,C3,H27,,,,,27832,bmse010106,1
29,covalent,SING,C4,H29,,,,,27832,bmse010106,1
30,covalent,SING,C5,H30,,,,,27832,bmse010106,1
31,covalent,SING,C6,H31,,,,,27832,bmse010106,1
32,covalent,SING,C7,H32,,,,,27832,bmse010106,1
33,covalent,SING,O15,H33,,,,,27832,bmse010106,1
1,covalent,SING,C1,C7,,,,,27852,bmse010107,1
2,covalent,SING,C2,O14,,,,,27852,bmse010107,1
3,covalent,SING,C3,O15,,,,,27852,bmse010107,1
4,covalent,DOUB,C4,C5,,,,,27852,bmse010107,1
5,covalent,SING,C4,C8,,,,,27852,bmse010107,1
6,covalent,SING,C5,C9,,,,,27852,bmse010107,1
7,covalent,DOUB,C6,C8,,,,,27852,bmse010107,1
8,covalent,SING,C6,C10,,,,,27852,bmse010107,1
9,covalent,DOUB,C7,O12,,,,,27852,bmse010107,1
10,covalent,SING,C7,O16,,,,,27852,bmse010107,1
11,covalent,SING,C8,C11,,,,,27852,bmse010107,1
12,covalent,DOUB,C9,C10,,,,,27852,bmse010107,1
13,covalent,SING,C9,O16,,,,,27852,bmse010107,1
14,covalent,SING,C10,O14,,,,,27852,bmse010107,1
15,covalent,DOUB,C11,O13,,,,,27852,bmse010107,1
16,covalent,SING,C11,O15,,,,,27852,bmse010107,1
17,covalent,SING,C1,H18,,,,,27852,bmse010107,1
18,covalent,SING,C1,H17,,,,,27852,bmse010107,1
19,covalent,SING,C1,H19,,,,,27852,bmse010107,1
20,covalent,SING,C2,H20,,,,,27852,bmse010107,1
21,covalent,SING,C2,H21,,,,,27852,bmse010107,1
22,covalent,SING,C2,H22,,,,,27852,bmse010107,1
23,covalent,SING,C3,H24,,,,,27852,bmse010107,1
24,covalent,SING,C3,H25,,,,,27852,bmse010107,1
25,covalent,SING,C3,H23,,,,,27852,bmse010107,1
26,covalent,SING,C4,H26,,,,,27852,bmse010107,1
27,covalent,SING,C5,H27,,,,,27852,bmse010107,1
28,covalent,SING,C6,H28,,,,,27852,bmse010107,1
1,covalent,SING,C1,O37,,,,,27872,bmse010108,1
2,covalent,SING,C2,O38,,,,,27872,bmse010108,1
3,covalent,SING,C3,O39,,,,,27872,bmse010108,1
4,covalent,SING,C4,O40,,,,,27872,bmse010108,1
5,covalent,DOUB,C5,C6,,,,,27872,bmse010108,1
6,covalent,SING,C5,C9,,,,,27872,bmse010108,1
7,covalent,SING,C6,C17,,,,,27872,bmse010108,1
8,covalent,DOUB,C7,C8,,,,,27872,bmse010108,1
9,covalent,SING,C7,C18,,,,,27872,bmse010108,1
10,covalent,SING,C8,C22,,,,,27872,bmse010108,1
11,covalent,SING,C9,O32,,,,,27872,bmse010108,1
12,covalent,DOUB,C10,C17,,,,,27872,bmse010108,1
13,covalent,SING,C10,C20,,,,,27872,bmse010108,1
14,covalent,SING,C11,C17,,,,,27872,bmse010108,1
15,covalent,DOUB,C11,C24,,,,,27872,bmse010108,1
16,covalent,DOUB,C12,C18,,,,,27872,bmse010108,1
17,covalent,SING,C12,C23,,,,,27872,bmse010108,1
18,covalent,DOUB,C13,C19,,,,,27872,bmse010108,1
19,covalent,SING,C13,C25,,,,,27872,bmse010108,1
20,covalent,SING,C14,C19,,,,,27872,bmse010108,1
21,covalent,DOUB,C14,C26,,,,,27872,bmse010108,1
22,covalent,SING,C15,C21,,,,,27872,bmse010108,1
23,covalent,SING,C15,O33,,,,,27872,bmse010108,1
24,covalent,SING,C16,C27,,,,,27872,bmse010108,1
25,covalent,SING,C16,O34,,,,,27872,bmse010108,1
26,covalent,SING,C18,C28,,,,,27872,bmse010108,1
27,covalent,SING,C19,C29,,,,,27872,bmse010108,1
28,covalent,SING,C20,C21,,,,,27872,bmse010108,1
29,covalent,DOUB,C20,C30,,,,,27872,bmse010108,1
30,covalent,SING,C21,C29,,,,,27872,bmse010108,1
31,covalent,DOUB,C22,C23,,,,,27872,bmse010108,1
32,covalent,SING,C22,O35,,,,,27872,bmse010108,1
33,covalent,SING,C23,O37,,,,,27872,bmse010108,1
34,covalent,SING,C24,C30,,,,,27872,bmse010108,1
35,covalent,SING,C24,O38,,,,,27872,bmse010108,1
36,covalent,DOUB,C25,C31,,,,,27872,bmse010108,1
37,covalent,SING,C25,O39,,,,,27872,bmse010108,1
38,covalent,SING,C26,C31,,,,,27872,bmse010108,1
39,covalent,SING,C26,O40,,,,,27872,bmse010108,1
40,covalent,SING,C27,C28,,,,,27872,bmse010108,1
41,covalent,SING,C27,O41,,,,,27872,bmse010108,1
42,covalent,SING,C28,O36,,,,,27872,bmse010108,1
43,covalent,SING,C29,O42,,,,,27872,bmse010108,1
44,covalent,SING,C30,O42,,,,,27872,bmse010108,1
45,covalent,SING,C31,O41,,,,,27872,bmse010108,1
46,covalent,SING,C1,H45,,,,,27872,bmse010108,1
47,covalent,SING,C1,H43,,,,,27872,bmse010108,1
48,covalent,SING,C1,H44,,,,,27872,bmse010108,1
49,covalent,SING,C2,H46,,,,,27872,bmse010108,1
50,covalent,SING,C2,H47,,,,,27872,bmse010108,1
51,covalent,SING,C2,H48,,,,,27872,bmse010108,1
52,covalent,SING,C3,H49,,,,,27872,bmse010108,1
53,covalent,SING,C3,H51,,,,,27872,bmse010108,1
54,covalent,SING,C3,H50,,,,,27872,bmse010108,1
55,covalent,SING,C4,H52,,,,,27872,bmse010108,1
56,covalent,SING,C4,H53,,,,,27872,bmse010108,1
57,covalent,SING,C4,H54,,,,,27872,bmse010108,1
58,covalent,SING,C5,H55,,,,,27872,bmse010108,1
59,covalent,SING,C6,H56,,,,,27872,bmse010108,1
60,covalent,SING,C7,H57,,,,,27872,bmse010108,1
61,covalent,SING,C8,H58,,,,,27872,bmse010108,1
62,covalent,SING,C9,H59,,,,,27872,bmse010108,1
63,covalent,SING,C9,H60,,,,,27872,bmse010108,1
64,covalent,SING,C10,H61,,,,,27872,bmse010108,1
65,covalent,SING,C11,H62,,,,,27872,bmse010108,1
66,covalent,SING,C12,H63,,,,,27872,bmse010108,1
67,covalent,SING,C13,H64,,,,,27872,bmse010108,1
68,covalent,SING,C14,H65,,,,,27872,bmse010108,1
69,covalent,SING,C15,H66,,,,,27872,bmse010108,1
70,covalent,SING,C15,H67,,,,,27872,bmse010108,1
71,covalent,SING,C16,H68,,,,,27872,bmse010108,1
72,covalent,SING,C16,H69,,,,,27872,bmse010108,1
73,covalent,SING,C21,H70,,,,,27872,bmse010108,1
74,covalent,SING,C27,H71,,,,,27872,bmse010108,1
75,covalent,SING,C28,H72,,,,,27872,bmse010108,1
76,covalent,SING,C29,H73,,,,,27872,bmse010108,1
77,covalent,SING,O32,H74,,,,,27872,bmse010108,1
78,covalent,SING,O33,H75,,,,,27872,bmse010108,1
79,covalent,SING,O34,H76,,,,,27872,bmse010108,1
80,covalent,SING,O35,H77,,,,,27872,bmse010108,1
81,covalent,SING,O36,H78,,,,,27872,bmse010108,1
1,covalent,SING,C1,C22,,,,,27892,bmse010109,1
2,covalent,SING,C2,C23,,,,,27892,bmse010109,1
3,covalent,SING,C3,C24,,,,,27892,bmse010109,1
4,covalent,SING,C4,C25,,,,,27892,bmse010109,1
5,covalent,SING,C5,C26,,,,,27892,bmse010109,1
6,covalent,SING,C6,O47,,,,,27892,bmse010109,1
7,covalent,SING,C7,O48,,,,,27892,bmse010109,1
8,covalent,SING,C8,O49,,,,,27892,bmse010109,1
9,covalent,SING,C9,O50,,,,,27892,bmse010109,1
10,covalent,DOUB,C10,C11,,,,,27892,bmse010109,1
11,covalent,SING,C10,C14,,,,,27892,bmse010109,1
12,covalent,SING,C11,C27,,,,,27892,bmse010109,1
13,covalent,DOUB,C12,C13,,,,,27892,bmse010109,1
14,covalent,SING,C12,C28,,,,,27892,bmse010109,1
15,covalent,SING,C13,C32,,,,,27892,bmse010109,1
16,covalent,SING,C14,O51,,,,,27892,bmse010109,1
17,covalent,DOUB,C15,C27,,,,,27892,bmse010109,1
18,covalent,SING,C15,C30,,,,,27892,bmse010109,1
19,covalent,SING,C16,C27,,,,,27892,bmse010109,1
20,covalent,DOUB,C16,C34,,,,,27892,bmse010109,1
21,covalent,DOUB,C17,C28,,,,,27892,bmse010109,1
22,covalent,SING,C17,C33,,,,,27892,bmse010109,1
23,covalent,DOUB,C18,C29,,,,,27892,bmse010109,1
24,covalent,SING,C18,C35,,,,,27892,bmse010109,1
25,covalent,SING,C19,C29,,,,,27892,bmse010109,1
26,covalent,DOUB,C19,C36,,,,,27892,bmse010109,1
27,covalent,SING,C20,C31,,,,,27892,bmse010109,1
28,covalent,SING,C20,O52,,,,,27892,bmse010109,1
29,covalent,SING,C21,C37,,,,,27892,bmse010109,1
30,covalent,SING,C21,O53,,,,,27892,bmse010109,1
31,covalent,DOUB,C22,O42,,,,,27892,bmse010109,1
32,covalent,SING,C22,O51,,,,,27892,bmse010109,1
33,covalent,DOUB,C23,O43,,,,,27892,bmse010109,1
34,covalent,SING,C23,O52,,,,,27892,bmse010109,1
35,covalent,DOUB,C24,O44,,,,,27892,bmse010109,1
36,covalent,SING,C24,O53,,,,,27892,bmse010109,1
37,covalent,DOUB,C25,O45,,,,,27892,bmse010109,1
38,covalent,SING,C25,O54,,,,,27892,bmse010109,1
39,covalent,DOUB,C26,O46,,,,,27892,bmse010109,1
40,covalent,SING,C26,O55,,,,,27892,bmse010109,1
41,covalent,SING,C28,C39,,,,,27892,bmse010109,1
42,covalent,SING,C29,C38,,,,,27892,bmse010109,1
43,covalent,SING,C30,C31,,,,,27892,bmse010109,1
44,covalent,DOUB,C30,C40,,,,,27892,bmse010109,1
45,covalent,SING,C31,C38,,,,,27892,bmse010109,1
46,covalent,DOUB,C32,C33,,,,,27892,bmse010109,1
47,covalent,SING,C32,O54,,,,,27892,bmse010109,1
48,covalent,SING,C33,O47,,,,,27892,bmse010109,1
49,covalent,SING,C34,C40,,,,,27892,bmse010109,1
50,covalent,SING,C34,O48,,,,,27892,bmse010109,1
51,covalent,DOUB,C35,C41,,,,,27892,bmse010109,1
52,covalent,SING,C35,O49,,,,,27892,bmse010109,1
53,covalent,SING,C36,C41,,,,,27892,bmse010109,1
54,covalent,SING,C36,O50,,,,,27892,bmse010109,1
55,covalent,SING,C37,C39,,,,,27892,bmse010109,1
56,covalent,SING,C37,O56,,,,,27892,bmse010109,1
57,covalent,SING,C38,O57,,,,,27892,bmse010109,1
58,covalent,SING,C39,O55,,,,,27892,bmse010109,1
59,covalent,SING,C40,O57,,,,,27892,bmse010109,1
60,covalent,SING,C41,O56,,,,,27892,bmse010109,1
61,covalent,SING,C1,H58,,,,,27892,bmse010109,1
62,covalent,SING,C1,H59,,,,,27892,bmse010109,1
63,covalent,SING,C1,H60,,,,,27892,bmse010109,1
64,covalent,SING,C2,H62,,,,,27892,bmse010109,1
65,covalent,SING,C2,H63,,,,,27892,bmse010109,1
66,covalent,SING,C2,H61,,,,,27892,bmse010109,1
67,covalent,SING,C3,H65,,,,,27892,bmse010109,1
68,covalent,SING,C3,H64,,,,,27892,bmse010109,1
69,covalent,SING,C3,H66,,,,,27892,bmse010109,1
70,covalent,SING,C4,H67,,,,,27892,bmse010109,1
71,covalent,SING,C4,H69,,,,,27892,bmse010109,1
72,covalent,SING,C4,H68,,,,,27892,bmse010109,1
73,covalent,SING,C5,H71,,,,,27892,bmse010109,1
74,covalent,SING,C5,H70,,,,,27892,bmse010109,1
75,covalent,SING,C5,H72,,,,,27892,bmse010109,1
76,covalent,SING,C6,H75,,,,,27892,bmse010109,1
77,covalent,SING,C6,H73,,,,,27892,bmse010109,1
78,covalent,SING,C6,H74,,,,,27892,bmse010109,1
79,covalent,SING,C7,H76,,,,,27892,bmse010109,1
80,covalent,SING,C7,H77,,,,,27892,bmse010109,1
81,covalent,SING,C7,H78,,,,,27892,bmse010109,1
82,covalent,SING,C8,H79,,,,,27892,bmse010109,1
83,covalent,SING,C8,H81,,,,,27892,bmse010109,1
84,covalent,SING,C8,H80,,,,,27892,bmse010109,1
85,covalent,SING,C9,H82,,,,,27892,bmse010109,1
86,covalent,SING,C9,H83,,,,,27892,bmse010109,1
87,covalent,SING,C9,H84,,,,,27892,bmse010109,1
88,covalent,SING,C10,H85,,,,,27892,bmse010109,1
89,covalent,SING,C11,H86,,,,,27892,bmse010109,1
90,covalent,SING,C12,H87,,,,,27892,bmse010109,1
91,covalent,SING,C13,H88,,,,,27892,bmse010109,1
92,covalent,SING,C14,H89,,,,,27892,bmse010109,1
93,covalent,SING,C14,H90,,,,,27892,bmse010109,1
94,covalent,SING,C15,H91,,,,,27892,bmse010109,1
95,covalent,SING,C16,H92,,,,,27892,bmse010109,1
96,covalent,SING,C17,H93,,,,,27892,bmse010109,1
97,covalent,SING,C18,H94,,,,,27892,bmse010109,1
98,covalent,SING,C19,H95,,,,,27892,bmse010109,1
99,covalent,SING,C20,H96,,,,,27892,bmse010109,1
100,covalent,SING,C20,H97,,,,,27892,bmse010109,1
101,covalent,SING,C21,H98,,,,,27892,bmse010109,1
102,covalent,SING,C21,H99,,,,,27892,bmse010109,1
103,covalent,SING,C31,H100,,,,,27892,bmse010109,1
104,covalent,SING,C37,H101,,,,,27892,bmse010109,1
105,covalent,SING,C38,H102,,,,,27892,bmse010109,1
106,covalent,SING,C39,H103,,,,,27892,bmse010109,1
1,covalent,SING,C1,O37,,,,,27912,bmse010110,1
2,covalent,SING,C2,O38,,,,,27912,bmse010110,1
3,covalent,SING,C3,O39,,,,,27912,bmse010110,1
4,covalent,SING,C4,O40,,,,,27912,bmse010110,1
5,covalent,SING,C5,O41,,,,,27912,bmse010110,1
6,covalent,DOUB,C6,C7,,,,,27912,bmse010110,1
7,covalent,SING,C6,C16,,,,,27912,bmse010110,1
8,covalent,SING,C7,C21,,,,,27912,bmse010110,1
9,covalent,DOUB,C8,C16,,,,,27912,bmse010110,1
10,covalent,SING,C8,C22,,,,,27912,bmse010110,1
11,covalent,DOUB,C9,C17,,,,,27912,bmse010110,1
12,covalent,SING,C9,C23,,,,,27912,bmse010110,1
13,covalent,SING,C10,C17,,,,,27912,bmse010110,1
14,covalent,DOUB,C10,C24,,,,,27912,bmse010110,1
15,covalent,DOUB,C11,C18,,,,,27912,bmse010110,1
16,covalent,SING,C11,C25,,,,,27912,bmse010110,1
17,covalent,SING,C12,C18,,,,,27912,bmse010110,1
18,covalent,DOUB,C12,C26,,,,,27912,bmse010110,1
19,covalent,SING,C13,C27,,,,,27912,bmse010110,1
20,covalent,SING,C13,O33,,,,,27912,bmse010110,1
21,covalent,SING,C14,C19,,,,,27912,bmse010110,1
22,covalent,SING,C14,O43,,,,,27912,bmse010110,1
23,covalent,SING,C15,C20,,,,,27912,bmse010110,1
24,covalent,SING,C15,O42,,,,,27912,bmse010110,1
25,covalent,SING,C16,C28,,,,,27912,bmse010110,1
26,covalent,SING,C17,C30,,,,,27912,bmse010110,1
27,covalent,SING,C18,C31,,,,,27912,bmse010110,1
28,covalent,SING,C19,C20,,,,,27912,bmse010110,1
29,covalent,SING,C19,C30,,,,,27912,bmse010110,1
30,covalent,SING,C20,C31,,,,,27912,bmse010110,1
31,covalent,DOUB,C21,C22,,,,,27912,bmse010110,1
32,covalent,SING,C21,O34,,,,,27912,bmse010110,1
33,covalent,SING,C22,O37,,,,,27912,bmse010110,1
34,covalent,DOUB,C23,C29,,,,,27912,bmse010110,1
35,covalent,SING,C23,O38,,,,,27912,bmse010110,1
36,covalent,SING,C24,C29,,,,,27912,bmse010110,1
37,covalent,SING,C24,O39,,,,,27912,bmse010110,1
38,covalent,DOUB,C25,C32,,,,,27912,bmse010110,1
39,covalent,SING,C25,O40,,,,,27912,bmse010110,1
40,covalent,SING,C26,C32,,,,,27912,bmse010110,1
41,covalent,SING,C26,O41,,,,,27912,bmse010110,1
42,covalent,SING,C27,C28,,,,,27912,bmse010110,1
43,covalent,SING,C27,O44,,,,,27912,bmse010110,1
44,covalent,SING,C28,O35,,,,,27912,bmse010110,1
45,covalent,SING,C29,O36,,,,,27912,bmse010110,1
46,covalent,SING,C30,O42,,,,,27912,bmse010110,1
47,covalent,SING,C31,O43,,,,,27912,bmse010110,1
48,covalent,SING,C32,O44,,,,,27912,bmse010110,1
49,covalent,SING,C1,H46,,,,,27912,bmse010110,1
50,covalent,SING,C1,H45,,,,,27912,bmse010110,1
51,covalent,SING,C1,H47,,,,,27912,bmse010110,1
52,covalent,SING,C2,H48,,,,,27912,bmse010110,1
53,covalent,SING,C2,H49,,,,,27912,bmse010110,1
54,covalent,SING,C2,H50,,,,,27912,bmse010110,1
55,covalent,SING,C3,H51,,,,,27912,bmse010110,1
56,covalent,SING,C3,H52,,,,,27912,bmse010110,1
57,covalent,SING,C3,H53,,,,,27912,bmse010110,1
58,covalent,SING,C4,H56,,,,,27912,bmse010110,1
59,covalent,SING,C4,H54,,,,,27912,bmse010110,1
60,covalent,SING,C4,H55,,,,,27912,bmse010110,1
61,covalent,SING,C5,H59,,,,,27912,bmse010110,1
62,covalent,SING,C5,H58,,,,,27912,bmse010110,1
63,covalent,SING,C5,H57,,,,,27912,bmse010110,1
64,covalent,SING,C6,H60,,,,,27912,bmse010110,1
65,covalent,SING,C7,H61,,,,,27912,bmse010110,1
66,covalent,SING,C8,H62,,,,,27912,bmse010110,1
67,covalent,SING,C9,H63,,,,,27912,bmse010110,1
68,covalent,SING,C10,H64,,,,,27912,bmse010110,1
69,covalent,SING,C11,H65,,,,,27912,bmse010110,1
70,covalent,SING,C12,H66,,,,,27912,bmse010110,1
71,covalent,SING,C13,H67,,,,,27912,bmse010110,1
72,covalent,SING,C13,H68,,,,,27912,bmse010110,1
73,covalent,SING,C14,H69,,,,,27912,bmse010110,1
74,covalent,SING,C14,H70,,,,,27912,bmse010110,1
75,covalent,SING,C15,H71,,,,,27912,bmse010110,1
76,covalent,SING,C15,H72,,,,,27912,bmse010110,1
77,covalent,SING,C19,H73,,,,,27912,bmse010110,1
78,covalent,SING,C20,H74,,,,,27912,bmse010110,1
79,covalent,SING,C27,H75,,,,,27912,bmse010110,1
80,covalent,SING,C28,H76,,,,,27912,bmse010110,1
81,covalent,SING,C30,H77,,,,,27912,bmse010110,1
82,covalent,SING,C31,H78,,,,,27912,bmse010110,1
83,covalent,SING,O33,H79,,,,,27912,bmse010110,1
84,covalent,SING,O34,H80,,,,,27912,bmse010110,1
85,covalent,SING,O35,H81,,,,,27912,bmse010110,1
86,covalent,SING,O36,H82,,,,,27912,bmse010110,1
1,covalent,SING,C1,C20,,,,,27932,bmse010111,1
2,covalent,SING,C2,C21,,,,,27932,bmse010111,1
3,covalent,SING,C3,C22,,,,,27932,bmse010111,1
4,covalent,SING,C4,C23,,,,,27932,bmse010111,1
5,covalent,SING,C5,O45,,,,,27932,bmse010111,1
6,covalent,SING,C6,O46,,,,,27932,bmse010111,1
7,covalent,SING,C7,O47,,,,,27932,bmse010111,1
8,covalent,SING,C8,O48,,,,,27932,bmse010111,1
9,covalent,SING,C9,O49,,,,,27932,bmse010111,1
10,covalent,DOUB,C10,C11,,,,,27932,bmse010111,1
11,covalent,SING,C10,C24,,,,,27932,bmse010111,1
12,covalent,SING,C11,C29,,,,,27932,bmse010111,1
13,covalent,DOUB,C12,C24,,,,,27932,bmse010111,1
14,covalent,SING,C12,C30,,,,,27932,bmse010111,1
15,covalent,DOUB,C13,C25,,,,,27932,bmse010111,1
16,covalent,SING,C13,C31,,,,,27932,bmse010111,1
17,covalent,SING,C14,C25,,,,,27932,bmse010111,1
18,covalent,DOUB,C14,C32,,,,,27932,bmse010111,1
19,covalent,DOUB,C15,C26,,,,,27932,bmse010111,1
20,covalent,SING,C15,C33,,,,,27932,bmse010111,1
21,covalent,SING,C16,C26,,,,,27932,bmse010111,1
22,covalent,DOUB,C16,C34,,,,,27932,bmse010111,1
23,covalent,SING,C17,C27,,,,,27932,bmse010111,1
24,covalent,SING,C17,O52,,,,,27932,bmse010111,1
25,covalent,SING,C18,C28,,,,,27932,bmse010111,1
26,covalent,SING,C18,O51,,,,,27932,bmse010111,1
27,covalent,SING,C19,C35,,,,,27932,bmse010111,1
28,covalent,SING,C19,O50,,,,,27932,bmse010111,1
29,covalent,DOUB,C20,O41,,,,,27932,bmse010111,1
30,covalent,SING,C20,O50,,,,,27932,bmse010111,1
31,covalent,DOUB,C21,O42,,,,,27932,bmse010111,1
32,covalent,SING,C21,O53,,,,,27932,bmse010111,1
33,covalent,DOUB,C22,O43,,,,,27932,bmse010111,1
34,covalent,SING,C22,O54,,,,,27932,bmse010111,1
35,covalent,DOUB,C23,O44,,,,,27932,bmse010111,1
36,covalent,SING,C23,O55,,,,,27932,bmse010111,1
37,covalent,SING,C24,C38,,,,,27932,bmse010111,1
38,covalent,SING,C25,C36,,,,,27932,bmse010111,1
39,covalent,SING,C26,C37,,,,,27932,bmse010111,1
40,covalent,SING,C27,C28,,,,,27932,bmse010111,1
41,covalent,SING,C27,C36,,,,,27932,bmse010111,1
42,covalent,SING,C28,C37,,,,,27932,bmse010111,1
43,covalent,DOUB,C29,C30,,,,,27932,bmse010111,1
44,covalent,SING,C29,O53,,,,,27932,bmse010111,1
45,covalent,SING,C30,O45,,,,,27932,bmse010111,1
46,covalent,DOUB,C31,C39,,,,,27932,bmse010111,1
47,covalent,SING,C31,O46,,,,,27932,bmse010111,1
48,covalent,SING,C32,C39,,,,,27932,bmse010111,1
49,covalent,SING,C32,O47,,,,,27932,bmse010111,1
50,covalent,DOUB,C33,C40,,,,,27932,bmse010111,1
51,covalent,SING,C33,O48,,,,,27932,bmse010111,1
52,covalent,SING,C34,C40,,,,,27932,bmse010111,1
53,covalent,SING,C34,O49,,,,,27932,bmse010111,1
54,covalent,SING,C35,C38,,,,,27932,bmse010111,1
55,covalent,SING,C35,O56,,,,,27932,bmse010111,1
56,covalent,SING,C36,O51,,,,,27932,bmse010111,1
57,covalent,SING,C37,O52,,,,,27932,bmse010111,1
58,covalent,SING,C38,O54,,,,,27932,bmse010111,1
59,covalent,SING,C39,O55,,,,,27932,bmse010111,1
60,covalent,SING,C40,O56,,,,,27932,bmse010111,1
61,covalent,SING,C1,H57,,,,,27932,bmse010111,1
62,covalent,SING,C1,H58,,,,,27932,bmse010111,1
63,covalent,SING,C1,H59,,,,,27932,bmse010111,1
64,covalent,SING,C2,H62,,,,,27932,bmse010111,1
65,covalent,SING,C2,H61,,,,,27932,bmse010111,1
66,covalent,SING,C2,H60,,,,,27932,bmse010111,1
67,covalent,SING,C3,H65,,,,,27932,bmse010111,1
68,covalent,SING,C3,H63,,,,,27932,bmse010111,1
69,covalent,SING,C3,H64,,,,,27932,bmse010111,1
70,covalent,SING,C4,H66,,,,,27932,bmse010111,1
71,covalent,SING,C4,H67,,,,,27932,bmse010111,1
72,covalent,SING,C4,H68,,,,,27932,bmse010111,1
73,covalent,SING,C5,H70,,,,,27932,bmse010111,1
74,covalent,SING,C5,H69,,,,,27932,bmse010111,1
75,covalent,SING,C5,H71,,,,,27932,bmse010111,1
76,covalent,SING,C6,H72,,,,,27932,bmse010111,1
77,covalent,SING,C6,H73,,,,,27932,bmse010111,1
78,covalent,SING,C6,H74,,,,,27932,bmse010111,1
79,covalent,SING,C7,H75,,,,,27932,bmse010111,1
80,covalent,SING,C7,H76,,,,,27932,bmse010111,1
81,covalent,SING,C7,H77,,,,,27932,bmse010111,1
82,covalent,SING,C8,H80,,,,,27932,bmse010111,1
83,covalent,SING,C8,H78,,,,,27932,bmse010111,1
84,covalent,SING,C8,H79,,,,,27932,bmse010111,1
85,covalent,SING,C9,H82,,,,,27932,bmse010111,1
86,covalent,SING,C9,H83,,,,,27932,bmse010111,1
87,covalent,SING,C9,H81,,,,,27932,bmse010111,1
88,covalent,SING,C10,H84,,,,,27932,bmse010111,1
89,covalent,SING,C11,H85,,,,,27932,bmse010111,1
90,covalent,SING,C12,H86,,,,,27932,bmse010111,1
91,covalent,SING,C13,H87,,,,,27932,bmse010111,1
92,covalent,SING,C14,H88,,,,,27932,bmse010111,1
93,covalent,SING,C15,H89,,,,,27932,bmse010111,1
94,covalent,SING,C16,H90,,,,,27932,bmse010111,1
95,covalent,SING,C17,H91,,,,,27932,bmse010111,1
96,covalent,SING,C17,H92,,,,,27932,bmse010111,1
97,covalent,SING,C18,H93,,,,,27932,bmse010111,1
98,covalent,SING,C18,H94,,,,,27932,bmse010111,1
99,covalent,SING,C19,H95,,,,,27932,bmse010111,1
100,covalent,SING,C19,H96,,,,,27932,bmse010111,1
101,covalent,SING,C27,H97,,,,,27932,bmse010111,1
102,covalent,SING,C28,H98,,,,,27932,bmse010111,1
103,covalent,SING,C35,H99,,,,,27932,bmse010111,1
104,covalent,SING,C36,H100,,,,,27932,bmse010111,1
105,covalent,SING,C37,H101,,,,,27932,bmse010111,1
106,covalent,SING,C38,H102,,,,,27932,bmse010111,1
1,covalent,SING,C1,C17,,,,,27952,bmse010112,1
2,covalent,SING,C2,C18,,,,,27952,bmse010112,1
3,covalent,SING,C3,C19,,,,,27952,bmse010112,1
4,covalent,SING,C4,C20,,,,,27952,bmse010112,1
5,covalent,SING,C5,O35,,,,,27952,bmse010112,1
6,covalent,SING,C6,O36,,,,,27952,bmse010112,1
7,covalent,SING,C7,O37,,,,,27952,bmse010112,1
8,covalent,SING,C8,O38,,,,,27952,bmse010112,1
9,covalent,DOUB,C9,C10,,,,,27952,bmse010112,1
10,covalent,SING,C9,C11,,,,,27952,bmse010112,1
11,covalent,SING,C10,C21,,,,,27952,bmse010112,1
12,covalent,SING,C11,O39,,,,,27952,bmse010112,1
13,covalent,DOUB,C12,C21,,,,,27952,bmse010112,1
14,covalent,SING,C12,C23,,,,,27952,bmse010112,1
15,covalent,SING,C13,C21,,,,,27952,bmse010112,1
16,covalent,DOUB,C13,C24,,,,,27952,bmse010112,1
17,covalent,DOUB,C14,C22,,,,,27952,bmse010112,1
18,covalent,SING,C14,C25,,,,,27952,bmse010112,1
19,covalent,SING,C15,C22,,,,,27952,bmse010112,1
20,covalent,DOUB,C15,C26,,,,,27952,bmse010112,1
21,covalent,SING,C16,C27,,,,,27952,bmse010112,1
22,covalent,SING,C16,O40,,,,,27952,bmse010112,1
23,covalent,DOUB,C17,O31,,,,,27952,bmse010112,1
24,covalent,SING,C17,O39,,,,,27952,bmse010112,1
25,covalent,DOUB,C18,O32,,,,,27952,bmse010112,1
26,covalent,SING,C18,O40,,,,,27952,bmse010112,1
27,covalent,DOUB,C19,O33,,,,,27952,bmse010112,1
28,covalent,SING,C19,O41,,,,,27952,bmse010112,1
29,covalent,DOUB,C20,O34,,,,,27952,bmse010112,1
30,covalent,SING,C20,O42,,,,,27952,bmse010112,1
31,covalent,SING,C22,C28,,,,,27952,bmse010112,1
32,covalent,DOUB,C23,C30,,,,,27952,bmse010112,1
33,covalent,SING,C23,O35,,,,,27952,bmse010112,1
34,covalent,SING,C24,C30,,,,,27952,bmse010112,1
35,covalent,SING,C24,O36,,,,,27952,bmse010112,1
36,covalent,DOUB,C25,C29,,,,,27952,bmse010112,1
37,covalent,SING,C25,O37,,,,,27952,bmse010112,1
38,covalent,SING,C26,C29,,,,,27952,bmse010112,1
39,covalent,SING,C26,O38,,,,,27952,bmse010112,1
40,covalent,SING,C27,C28,,,,,27952,bmse010112,1
41,covalent,SING,C27,O43,,,,,27952,bmse010112,1
42,covalent,SING,C28,O41,,,,,27952,bmse010112,1
43,covalent,SING,C29,O42,,,,,27952,bmse010112,1
44,covalent,SING,C30,O43,,,,,27952,bmse010112,1
45,covalent,SING,C1,H44,,,,,27952,bmse010112,1
46,covalent,SING,C1,H45,,,,,27952,bmse010112,1
47,covalent,SING,C1,H46,,,,,27952,bmse010112,1
48,covalent,SING,C2,H47,,,,,27952,bmse010112,1
49,covalent,SING,C2,H48,,,,,27952,bmse010112,1
50,covalent,SING,C2,H49,,,,,27952,bmse010112,1
51,covalent,SING,C3,H52,,,,,27952,bmse010112,1
52,covalent,SING,C3,H51,,,,,27952,bmse010112,1
53,covalent,SING,C3,H50,,,,,27952,bmse010112,1
54,covalent,SING,C4,H54,,,,,27952,bmse010112,1
55,covalent,SING,C4,H53,,,,,27952,bmse010112,1
56,covalent,SING,C4,H55,,,,,27952,bmse010112,1
57,covalent,SING,C5,H56,,,,,27952,bmse010112,1
58,covalent,SING,C5,H58,,,,,27952,bmse010112,1
59,covalent,SING,C5,H57,,,,,27952,bmse010112,1
60,covalent,SING,C6,H60,,,,,27952,bmse010112,1
61,covalent,SING,C6,H59,,,,,27952,bmse010112,1
62,covalent,SING,C6,H61,,,,,27952,bmse010112,1
63,covalent,SING,C7,H62,,,,,27952,bmse010112,1
64,covalent,SING,C7,H64,,,,,27952,bmse010112,1
65,covalent,SING,C7,H63,,,,,27952,bmse010112,1
66,covalent,SING,C8,H66,,,,,27952,bmse010112,1
67,covalent,SING,C8,H67,,,,,27952,bmse010112,1
68,covalent,SING,C8,H65,,,,,27952,bmse010112,1
69,covalent,SING,C9,H68,,,,,27952,bmse010112,1
70,covalent,SING,C10,H69,,,,,27952,bmse010112,1
71,covalent,SING,C11,H70,,,,,27952,bmse010112,1
72,covalent,SING,C11,H71,,,,,27952,bmse010112,1
73,covalent,SING,C12,H72,,,,,27952,bmse010112,1
74,covalent,SING,C13,H73,,,,,27952,bmse010112,1
75,covalent,SING,C14,H74,,,,,27952,bmse010112,1
76,covalent,SING,C15,H75,,,,,27952,bmse010112,1
77,covalent,SING,C16,H76,,,,,27952,bmse010112,1
78,covalent,SING,C16,H77,,,,,27952,bmse010112,1
79,covalent,SING,C27,H78,,,,,27952,bmse010112,1
80,covalent,SING,C28,H79,,,,,27952,bmse010112,1
1,covalent,SING,C1,C17,,,,,27972,bmse010113,1
2,covalent,SING,C2,C18,,,,,27972,bmse010113,1
3,covalent,SING,C3,C19,,,,,27972,bmse010113,1
4,covalent,SING,C4,C20,,,,,27972,bmse010113,1
5,covalent,SING,C5,O34,,,,,27972,bmse010113,1
6,covalent,SING,C6,O35,,,,,27972,bmse010113,1
7,covalent,SING,C7,O36,,,,,27972,bmse010113,1
8,covalent,DOUB,C8,C9,,,,,27972,bmse010113,1
9,covalent,SING,C8,C12,,,,,27972,bmse010113,1
10,covalent,SING,C9,C21,,,,,27972,bmse010113,1
11,covalent,DOUB,C10,C11,,,,,27972,bmse010113,1
12,covalent,SING,C10,C21,,,,,27972,bmse010113,1
13,covalent,SING,C11,C23,,,,,27972,bmse010113,1
14,covalent,SING,C12,O37,,,,,27972,bmse010113,1
15,covalent,DOUB,C13,C21,,,,,27972,bmse010113,1
16,covalent,SING,C13,C24,,,,,27972,bmse010113,1
17,covalent,DOUB,C14,C22,,,,,27972,bmse010113,1
18,covalent,SING,C14,C25,,,,,27972,bmse010113,1
19,covalent,SING,C15,C22,,,,,27972,bmse010113,1
20,covalent,DOUB,C15,C26,,,,,27972,bmse010113,1
21,covalent,SING,C16,C27,,,,,27972,bmse010113,1
22,covalent,SING,C16,O38,,,,,27972,bmse010113,1
23,covalent,DOUB,C17,O30,,,,,27972,bmse010113,1
24,covalent,SING,C17,O37,,,,,27972,bmse010113,1
25,covalent,DOUB,C18,O31,,,,,27972,bmse010113,1
26,covalent,SING,C18,O38,,,,,27972,bmse010113,1
27,covalent,DOUB,C19,O32,,,,,27972,bmse010113,1
28,covalent,SING,C19,O39,,,,,27972,bmse010113,1
29,covalent,DOUB,C20,O33,,,,,27972,bmse010113,1
30,covalent,SING,C20,O40,,,,,27972,bmse010113,1
31,covalent,SING,C22,C28,,,,,27972,bmse010113,1
32,covalent,DOUB,C23,C24,,,,,27972,bmse010113,1
33,covalent,SING,C23,O41,,,,,27972,bmse010113,1
34,covalent,SING,C24,O34,,,,,27972,bmse010113,1
35,covalent,DOUB,C25,C29,,,,,27972,bmse010113,1
36,covalent,SING,C25,O35,,,,,27972,bmse010113,1
37,covalent,SING,C26,C29,,,,,27972,bmse010113,1
38,covalent,SING,C26,O36,,,,,27972,bmse010113,1
39,covalent,SING,C27,C28,,,,,27972,bmse010113,1
40,covalent,SING,C27,O41,,,,,27972,bmse010113,1
41,covalent,SING,C28,O39,,,,,27972,bmse010113,1
42,covalent,SING,C29,O40,,,,,27972,bmse010113,1
43,covalent,SING,C1,H44,,,,,27972,bmse010113,1
44,covalent,SING,C1,H43,,,,,27972,bmse010113,1
45,covalent,SING,C1,H42,,,,,27972,bmse010113,1
46,covalent,SING,C2,H47,,,,,27972,bmse010113,1
47,covalent,SING,C2,H45,,,,,27972,bmse010113,1
48,covalent,SING,C2,H46,,,,,27972,bmse010113,1
49,covalent,SING,C3,H50,,,,,27972,bmse010113,1
50,covalent,SING,C3,H49,,,,,27972,bmse010113,1
51,covalent,SING,C3,H48,,,,,27972,bmse010113,1
52,covalent,SING,C4,H51,,,,,27972,bmse010113,1
53,covalent,SING,C4,H53,,,,,27972,bmse010113,1
54,covalent,SING,C4,H52,,,,,27972,bmse010113,1
55,covalent,SING,C5,H55,,,,,27972,bmse010113,1
56,covalent,SING,C5,H54,,,,,27972,bmse010113,1
57,covalent,SING,C5,H56,,,,,27972,bmse010113,1
58,covalent,SING,C6,H59,,,,,27972,bmse010113,1
59,covalent,SING,C6,H58,,,,,27972,bmse010113,1
60,covalent,SING,C6,H57,,,,,27972,bmse010113,1
61,covalent,SING,C7,H62,,,,,27972,bmse010113,1
62,covalent,SING,C7,H61,,,,,27972,bmse010113,1
63,covalent,SING,C7,H60,,,,,27972,bmse010113,1
64,covalent,SING,C8,H63,,,,,27972,bmse010113,1
65,covalent,SING,C9,H64,,,,,27972,bmse010113,1
66,covalent,SING,C10,H65,,,,,27972,bmse010113,1
67,covalent,SING,C11,H66,,,,,27972,bmse010113,1
68,covalent,SING,C12,H67,,,,,27972,bmse010113,1
69,covalent,SING,C12,H68,,,,,27972,bmse010113,1
70,covalent,SING,C13,H69,,,,,27972,bmse010113,1
71,covalent,SING,C14,H70,,,,,27972,bmse010113,1
72,covalent,SING,C15,H71,,,,,27972,bmse010113,1
73,covalent,SING,C16,H72,,,,,27972,bmse010113,1
74,covalent,SING,C16,H73,,,,,27972,bmse010113,1
75,covalent,SING,C27,H74,,,,,27972,bmse010113,1
76,covalent,SING,C28,H75,,,,,27972,bmse010113,1
1,covalent,SING,C1,C15,,,,,27992,bmse010114,1
2,covalent,SING,C2,C16,,,,,27992,bmse010114,1
3,covalent,SING,C3,C17,,,,,27992,bmse010114,1
4,covalent,SING,C4,O31,,,,,27992,bmse010114,1
5,covalent,SING,C5,O32,,,,,27992,bmse010114,1
6,covalent,SING,C6,O33,,,,,27992,bmse010114,1
7,covalent,DOUB,C7,C8,,,,,27992,bmse010114,1
8,covalent,SING,C7,C9,,,,,27992,bmse010114,1
9,covalent,SING,C8,C18,,,,,27992,bmse010114,1
10,covalent,SING,C9,O34,,,,,27992,bmse010114,1
11,covalent,DOUB,C10,C18,,,,,27992,bmse010114,1
12,covalent,SING,C10,C20,,,,,27992,bmse010114,1
13,covalent,SING,C11,C18,,,,,27992,bmse010114,1
14,covalent,DOUB,C11,C22,,,,,27992,bmse010114,1
15,covalent,DOUB,C12,C19,,,,,27992,bmse010114,1
16,covalent,SING,C12,C23,,,,,27992,bmse010114,1
17,covalent,SING,C13,C19,,,,,27992,bmse010114,1
18,covalent,DOUB,C13,C24,,,,,27992,bmse010114,1
19,covalent,SING,C14,C21,,,,,27992,bmse010114,1
20,covalent,SING,C14,O35,,,,,27992,bmse010114,1
21,covalent,DOUB,C15,O28,,,,,27992,bmse010114,1
22,covalent,SING,C15,O34,,,,,27992,bmse010114,1
23,covalent,DOUB,C16,O29,,,,,27992,bmse010114,1
24,covalent,SING,C16,O35,,,,,27992,bmse010114,1
25,covalent,DOUB,C17,O30,,,,,27992,bmse010114,1
26,covalent,SING,C17,O36,,,,,27992,bmse010114,1
27,covalent,SING,C19,C25,,,,,27992,bmse010114,1
28,covalent,SING,C20,C21,,,,,27992,bmse010114,1
29,covalent,DOUB,C20,C26,,,,,27992,bmse010114,1
30,covalent,SING,C21,C25,,,,,27992,bmse010114,1
31,covalent,SING,C22,C26,,,,,27992,bmse010114,1
32,covalent,SING,C22,O31,,,,,27992,bmse010114,1
33,covalent,DOUB,C23,C27,,,,,27992,bmse010114,1
34,covalent,SING,C23,O32,,,,,27992,bmse010114,1
35,covalent,SING,C24,C27,,,,,27992,bmse010114,1
36,covalent,SING,C24,O33,,,,,27992,bmse010114,1
37,covalent,SING,C25,O37,,,,,27992,bmse010114,1
38,covalent,SING,C26,O37,,,,,27992,bmse010114,1
39,covalent,SING,C27,O36,,,,,27992,bmse010114,1
40,covalent,SING,C1,H38,,,,,27992,bmse010114,1
41,covalent,SING,C1,H39,,,,,27992,bmse010114,1
42,covalent,SING,C1,H40,,,,,27992,bmse010114,1
43,covalent,SING,C2,H42,,,,,27992,bmse010114,1
44,covalent,SING,C2,H43,,,,,27992,bmse010114,1
45,covalent,SING,C2,H41,,,,,27992,bmse010114,1
46,covalent,SING,C3,H46,,,,,27992,bmse010114,1
47,covalent,SING,C3,H45,,,,,27992,bmse010114,1
48,covalent,SING,C3,H44,,,,,27992,bmse010114,1
49,covalent,SING,C4,H47,,,,,27992,bmse010114,1
50,covalent,SING,C4,H48,,,,,27992,bmse010114,1
51,covalent,SING,C4,H49,,,,,27992,bmse010114,1
52,covalent,SING,C5,H50,,,,,27992,bmse010114,1
53,covalent,SING,C5,H51,,,,,27992,bmse010114,1
54,covalent,SING,C5,H52,,,,,27992,bmse010114,1
55,covalent,SING,C6,H55,,,,,27992,bmse010114,1
56,covalent,SING,C6,H54,,,,,27992,bmse010114,1
57,covalent,SING,C6,H53,,,,,27992,bmse010114,1
58,covalent,SING,C7,H56,,,,,27992,bmse010114,1
59,covalent,SING,C8,H57,,,,,27992,bmse010114,1
60,covalent,SING,C9,H58,,,,,27992,bmse010114,1
61,covalent,SING,C9,H59,,,,,27992,bmse010114,1
62,covalent,SING,C10,H60,,,,,27992,bmse010114,1
63,covalent,SING,C11,H61,,,,,27992,bmse010114,1
64,covalent,SING,C12,H62,,,,,27992,bmse010114,1
65,covalent,SING,C13,H63,,,,,27992,bmse010114,1
66,covalent,SING,C14,H64,,,,,27992,bmse010114,1
67,covalent,SING,C14,H65,,,,,27992,bmse010114,1
68,covalent,SING,C21,H66,,,,,27992,bmse010114,1
69,covalent,SING,C25,H67,,,,,27992,bmse010114,1
1,covalent,SING,C1,C17,,,,,28012,bmse010115,1
2,covalent,SING,C2,C18,,,,,28012,bmse010115,1
3,covalent,SING,C3,C19,,,,,28012,bmse010115,1
4,covalent,SING,C4,C20,,,,,28012,bmse010115,1
5,covalent,SING,C5,O34,,,,,28012,bmse010115,1
6,covalent,SING,C6,O35,,,,,28012,bmse010115,1
7,covalent,SING,C7,O36,,,,,28012,bmse010115,1
8,covalent,DOUB,C8,C9,,,,,28012,bmse010115,1
9,covalent,SING,C8,C12,,,,,28012,bmse010115,1
10,covalent,SING,C9,C21,,,,,28012,bmse010115,1
11,covalent,DOUB,C10,C11,,,,,28012,bmse010115,1
12,covalent,SING,C10,C22,,,,,28012,bmse010115,1
13,covalent,SING,C11,C23,,,,,28012,bmse010115,1
14,covalent,SING,C12,O37,,,,,28012,bmse010115,1
15,covalent,DOUB,C13,C21,,,,,28012,bmse010115,1
16,covalent,SING,C13,C25,,,,,28012,bmse010115,1
17,covalent,SING,C14,C21,,,,,28012,bmse010115,1
18,covalent,DOUB,C14,C26,,,,,28012,bmse010115,1
19,covalent,DOUB,C15,C22,,,,,28012,bmse010115,1
20,covalent,SING,C15,C24,,,,,28012,bmse010115,1
21,covalent,SING,C16,C27,,,,,28012,bmse010115,1
22,covalent,SING,C16,O38,,,,,28012,bmse010115,1
23,covalent,DOUB,C17,O30,,,,,28012,bmse010115,1
24,covalent,SING,C17,O37,,,,,28012,bmse010115,1
25,covalent,DOUB,C18,O31,,,,,28012,bmse010115,1
26,covalent,SING,C18,O38,,,,,28012,bmse010115,1
27,covalent,DOUB,C19,O32,,,,,28012,bmse010115,1
28,covalent,SING,C19,O39,,,,,28012,bmse010115,1
29,covalent,DOUB,C20,O33,,,,,28012,bmse010115,1
30,covalent,SING,C20,O40,,,,,28012,bmse010115,1
31,covalent,SING,C22,C28,,,,,28012,bmse010115,1
32,covalent,DOUB,C23,C24,,,,,28012,bmse010115,1
33,covalent,SING,C23,O39,,,,,28012,bmse010115,1
34,covalent,SING,C24,O34,,,,,28012,bmse010115,1
35,covalent,DOUB,C25,C29,,,,,28012,bmse010115,1
36,covalent,SING,C25,O35,,,,,28012,bmse010115,1
37,covalent,SING,C26,C29,,,,,28012,bmse010115,1
38,covalent,SING,C26,O36,,,,,28012,bmse010115,1
39,covalent,SING,C27,C28,,,,,28012,bmse010115,1
40,covalent,SING,C27,O41,,,,,28012,bmse010115,1
41,covalent,SING,C28,O40,,,,,28012,bmse010115,1
42,covalent,SING,C29,O41,,,,,28012,bmse010115,1
43,covalent,SING,C1,H44,,,,,28012,bmse010115,1
44,covalent,SING,C1,H42,,,,,28012,bmse010115,1
45,covalent,SING,C1,H43,,,,,28012,bmse010115,1
46,covalent,SING,C2,H46,,,,,28012,bmse010115,1
47,covalent,SING,C2,H45,,,,,28012,bmse010115,1
48,covalent,SING,C2,H47,,,,,28012,bmse010115,1
49,covalent,SING,C3,H49,,,,,28012,bmse010115,1
50,covalent,SING,C3,H48,,,,,28012,bmse010115,1
51,covalent,SING,C3,H50,,,,,28012,bmse010115,1
52,covalent,SING,C4,H52,,,,,28012,bmse010115,1
53,covalent,SING,C4,H51,,,,,28012,bmse010115,1
54,covalent,SING,C4,H53,,,,,28012,bmse010115,1
55,covalent,SING,C5,H54,,,,,28012,bmse010115,1
56,covalent,SING,C5,H55,,,,,28012,bmse010115,1
57,covalent,SING,C5,H56,,,,,28012,bmse010115,1
58,covalent,SING,C6,H57,,,,,28012,bmse010115,1
59,covalent,SING,C6,H59,,,,,28012,bmse010115,1
60,covalent,SING,C6,H58,,,,,28012,bmse010115,1
61,covalent,SING,C7,H60,,,,,28012,bmse010115,1
62,covalent,SING,C7,H62,,,,,28012,bmse010115,1
63,covalent,SING,C7,H61,,,,,28012,bmse010115,1
64,covalent,SING,C8,H63,,,,,28012,bmse010115,1
65,covalent,SING,C9,H64,,,,,28012,bmse010115,1
66,covalent,SING,C10,H65,,,,,28012,bmse010115,1
67,covalent,SING,C11,H66,,,,,28012,bmse010115,1
68,covalent,SING,C12,H67,,,,,28012,bmse010115,1
69,covalent,SING,C12,H68,,,,,28012,bmse010115,1
70,covalent,SING,C13,H69,,,,,28012,bmse010115,1
71,covalent,SING,C14,H70,,,,,28012,bmse010115,1
72,covalent,SING,C15,H71,,,,,28012,bmse010115,1
73,covalent,SING,C16,H72,,,,,28012,bmse010115,1
74,covalent,SING,C16,H73,,,,,28012,bmse010115,1
75,covalent,SING,C27,H74,,,,,28012,bmse010115,1
76,covalent,SING,C28,H75,,,,,28012,bmse010115,1
1,covalent,SING,C1,C7,,,,,28032,bmse010116,1
2,covalent,SING,C2,O12,,,,,28032,bmse010116,1
3,covalent,SING,C3,O13,,,,,28032,bmse010116,1
4,covalent,DOUB,C4,C5,,,,,28032,bmse010116,1
5,covalent,SING,C4,C6,,,,,28032,bmse010116,1
6,covalent,SING,C5,C8,,,,,28032,bmse010116,1
7,covalent,DOUB,C6,C9,,,,,28032,bmse010116,1
8,covalent,DOUB,C7,O11,,,,,28032,bmse010116,1
9,covalent,SING,C7,O14,,,,,28032,bmse010116,1
10,covalent,DOUB,C8,C10,,,,,28032,bmse010116,1
11,covalent,SING,C8,O12,,,,,28032,bmse010116,1
12,covalent,SING,C9,C10,,,,,28032,bmse010116,1
13,covalent,SING,C9,O13,,,,,28032,bmse010116,1
14,covalent,SING,C10,O14,,,,,28032,bmse010116,1
15,covalent,SING,C1,H16,,,,,28032,bmse010116,1
16,covalent,SING,C1,H17,,,,,28032,bmse010116,1
17,covalent,SING,C1,H15,,,,,28032,bmse010116,1
18,covalent,SING,C2,H18,,,,,28032,bmse010116,1
19,covalent,SING,C2,H20,,,,,28032,bmse010116,1
20,covalent,SING,C2,H19,,,,,28032,bmse010116,1
21,covalent,SING,C3,H21,,,,,28032,bmse010116,1
22,covalent,SING,C3,H23,,,,,28032,bmse010116,1
23,covalent,SING,C3,H22,,,,,28032,bmse010116,1
24,covalent,SING,C4,H24,,,,,28032,bmse010116,1
25,covalent,SING,C5,H25,,,,,28032,bmse010116,1
26,covalent,SING,C6,H26,,,,,28032,bmse010116,1
1,covalent,SING,C1,C7,,,,,28052,bmse010117,1
2,covalent,DOUB,C2,C3,,,,,28052,bmse010117,1
3,covalent,SING,C2,C4,,,,,28052,bmse010117,1
4,covalent,SING,C3,C5,,,,,28052,bmse010117,1
5,covalent,DOUB,C4,C6,,,,,28052,bmse010117,1
6,covalent,DOUB,C5,C8,,,,,28052,bmse010117,1
7,covalent,SING,C6,C8,,,,,28052,bmse010117,1
8,covalent,DOUB,C7,O9,,,,,28052,bmse010117,1
9,covalent,SING,C7,O10,,,,,28052,bmse010117,1
10,covalent,SING,C8,O10,,,,,28052,bmse010117,1
11,covalent,SING,C1,H12,,,,,28052,bmse010117,1
12,covalent,SING,C1,H13,,,,,28052,bmse010117,1
13,covalent,SING,C1,H11,,,,,28052,bmse010117,1
14,covalent,SING,C2,H14,,,,,28052,bmse010117,1
15,covalent,SING,C3,H15,,,,,28052,bmse010117,1
16,covalent,SING,C4,H16,,,,,28052,bmse010117,1
17,covalent,SING,C5,H17,,,,,28052,bmse010117,1
18,covalent,SING,C6,H18,,,,,28052,bmse010117,1
1,covalent,SING,C1,C7,,,,,28072,bmse010118,1
2,covalent,SING,C2,O15,,,,,28072,bmse010118,1
3,covalent,SING,C3,O16,,,,,28072,bmse010118,1
4,covalent,SING,C4,O17,,,,,28072,bmse010118,1
5,covalent,DOUB,C5,C8,,,,,28072,bmse010118,1
6,covalent,SING,C5,C9,,,,,28072,bmse010118,1
7,covalent,SING,C6,C8,,,,,28072,bmse010118,1
8,covalent,DOUB,C6,C10,,,,,28072,bmse010118,1
9,covalent,DOUB,C7,O13,,,,,28072,bmse010118,1
10,covalent,SING,C7,O18,,,,,28072,bmse010118,1
11,covalent,SING,C8,C12,,,,,28072,bmse010118,1
12,covalent,DOUB,C9,C11,,,,,28072,bmse010118,1
13,covalent,SING,C9,O15,,,,,28072,bmse010118,1
14,covalent,SING,C10,C11,,,,,28072,bmse010118,1
15,covalent,SING,C10,O16,,,,,28072,bmse010118,1
16,covalent,SING,C11,O18,,,,,28072,bmse010118,1
17,covalent,DOUB,C12,O14,,,,,28072,bmse010118,1
18,covalent,SING,C12,O17,,,,,28072,bmse010118,1
19,covalent,SING,C1,H20,,,,,28072,bmse010118,1
20,covalent,SING,C1,H19,,,,,28072,bmse010118,1
21,covalent,SING,C1,H21,,,,,28072,bmse010118,1
22,covalent,SING,C2,H24,,,,,28072,bmse010118,1
23,covalent,SING,C2,H23,,,,,28072,bmse010118,1
24,covalent,SING,C2,H22,,,,,28072,bmse010118,1
25,covalent,SING,C3,H25,,,,,28072,bmse010118,1
26,covalent,SING,C3,H27,,,,,28072,bmse010118,1
27,covalent,SING,C3,H26,,,,,28072,bmse010118,1
28,covalent,SING,C4,H28,,,,,28072,bmse010118,1
29,covalent,SING,C4,H29,,,,,28072,bmse010118,1
30,covalent,SING,C4,H30,,,,,28072,bmse010118,1
31,covalent,SING,C5,H31,,,,,28072,bmse010118,1
32,covalent,SING,C6,H32,,,,,28072,bmse010118,1
1,covalent,SING,C1,C6,,,,,28092,bmse010119,1
2,covalent,SING,C2,O14,,,,,28092,bmse010119,1
3,covalent,DOUB,C3,C4,,,,,28092,bmse010119,1
4,covalent,SING,C3,C7,,,,,28092,bmse010119,1
5,covalent,SING,C4,C8,,,,,28092,bmse010119,1
6,covalent,DOUB,C5,C7,,,,,28092,bmse010119,1
7,covalent,SING,C5,C9,,,,,28092,bmse010119,1
8,covalent,DOUB,C6,O11,,,,,28092,bmse010119,1
9,covalent,SING,C6,O15,,,,,28092,bmse010119,1
10,covalent,SING,C7,C10,,,,,28092,bmse010119,1
11,covalent,DOUB,C8,C9,,,,,28092,bmse010119,1
12,covalent,SING,C8,O15,,,,,28092,bmse010119,1
13,covalent,SING,C9,O14,,,,,28092,bmse010119,1
14,covalent,SING,C10,O12,,,,,28092,bmse010119,1
15,covalent,DOUB,C10,O13,,,,,28092,bmse010119,1
16,covalent,SING,C1,H17,,,,,28092,bmse010119,1
17,covalent,SING,C1,H16,,,,,28092,bmse010119,1
18,covalent,SING,C1,H18,,,,,28092,bmse010119,1
19,covalent,SING,C2,H19,,,,,28092,bmse010119,1
20,covalent,SING,C2,H20,,,,,28092,bmse010119,1
21,covalent,SING,C2,H21,,,,,28092,bmse010119,1
22,covalent,SING,C3,H22,,,,,28092,bmse010119,1
23,covalent,SING,C4,H23,,,,,28092,bmse010119,1
24,covalent,SING,C5,H24,,,,,28092,bmse010119,1
25,covalent,SING,O12,H25,,,,,28092,bmse010119,1
1,covalent,SING,C1,C24,,,,,28112,bmse010120,1
2,covalent,SING,C2,C25,,,,,28112,bmse010120,1
3,covalent,SING,C3,C26,,,,,28112,bmse010120,1
4,covalent,SING,C4,C27,,,,,28112,bmse010120,1
5,covalent,SING,C5,C28,,,,,28112,bmse010120,1
6,covalent,SING,C6,C29,,,,,28112,bmse010120,1
7,covalent,SING,C7,O52,,,,,28112,bmse010120,1
8,covalent,SING,C8,O53,,,,,28112,bmse010120,1
9,covalent,SING,C9,O54,,,,,28112,bmse010120,1
10,covalent,SING,C10,O55,,,,,28112,bmse010120,1
11,covalent,SING,C11,O56,,,,,28112,bmse010120,1
12,covalent,SING,C12,O57,,,,,28112,bmse010120,1
13,covalent,DOUB,C13,C14,,,,,28112,bmse010120,1
14,covalent,SING,C13,C15,,,,,28112,bmse010120,1
15,covalent,SING,C14,C30,,,,,28112,bmse010120,1
16,covalent,SING,C15,O58,,,,,28112,bmse010120,1
17,covalent,DOUB,C16,C30,,,,,28112,bmse010120,1
18,covalent,SING,C16,C33,,,,,28112,bmse010120,1
19,covalent,SING,C17,C30,,,,,28112,bmse010120,1
20,covalent,DOUB,C17,C34,,,,,28112,bmse010120,1
21,covalent,DOUB,C18,C31,,,,,28112,bmse010120,1
22,covalent,SING,C18,C35,,,,,28112,bmse010120,1
23,covalent,SING,C19,C31,,,,,28112,bmse010120,1
24,covalent,DOUB,C19,C36,,,,,28112,bmse010120,1
25,covalent,DOUB,C20,C32,,,,,28112,bmse010120,1
26,covalent,SING,C20,C37,,,,,28112,bmse010120,1
27,covalent,SING,C21,C32,,,,,28112,bmse010120,1
28,covalent,DOUB,C21,C38,,,,,28112,bmse010120,1
29,covalent,SING,C22,C39,,,,,28112,bmse010120,1
30,covalent,SING,C22,O59,,,,,28112,bmse010120,1
31,covalent,SING,C23,C40,,,,,28112,bmse010120,1
32,covalent,SING,C23,O60,,,,,28112,bmse010120,1
33,covalent,DOUB,C24,O46,,,,,28112,bmse010120,1
34,covalent,SING,C24,O58,,,,,28112,bmse010120,1
35,covalent,DOUB,C25,O47,,,,,28112,bmse010120,1
36,covalent,SING,C25,O59,,,,,28112,bmse010120,1
37,covalent,DOUB,C26,O48,,,,,28112,bmse010120,1
38,covalent,SING,C26,O60,,,,,28112,bmse010120,1
39,covalent,DOUB,C27,O49,,,,,28112,bmse010120,1
40,covalent,SING,C27,O61,,,,,28112,bmse010120,1
41,covalent,DOUB,C28,O50,,,,,28112,bmse010120,1
42,covalent,SING,C28,O62,,,,,28112,bmse010120,1
43,covalent,DOUB,C29,O51,,,,,28112,bmse010120,1
44,covalent,SING,C29,O63,,,,,28112,bmse010120,1
45,covalent,SING,C31,C41,,,,,28112,bmse010120,1
46,covalent,SING,C32,C42,,,,,28112,bmse010120,1
47,covalent,DOUB,C33,C44,,,,,28112,bmse010120,1
48,covalent,SING,C33,O52,,,,,28112,bmse010120,1
49,covalent,SING,C34,C44,,,,,28112,bmse010120,1
50,covalent,SING,C34,O53,,,,,28112,bmse010120,1
51,covalent,DOUB,C35,C43,,,,,28112,bmse010120,1
52,covalent,SING,C35,O54,,,,,28112,bmse010120,1
53,covalent,SING,C36,C43,,,,,28112,bmse010120,1
54,covalent,SING,C36,O55,,,,,28112,bmse010120,1
55,covalent,DOUB,C37,C45,,,,,28112,bmse010120,1
56,covalent,SING,C37,O56,,,,,28112,bmse010120,1
57,covalent,SING,C38,C45,,,,,28112,bmse010120,1
58,covalent,SING,C38,O57,,,,,28112,bmse010120,1
59,covalent,SING,C39,C42,,,,,28112,bmse010120,1
60,covalent,SING,C39,O64,,,,,28112,bmse010120,1
61,covalent,SING,C40,C41,,,,,28112,bmse010120,1
62,covalent,SING,C40,O65,,,,,28112,bmse010120,1
63,covalent,SING,C41,O61,,,,,28112,bmse010120,1
64,covalent,SING,C42,O62,,,,,28112,bmse010120,1
65,covalent,SING,C43,O63,,,,,28112,bmse010120,1
66,covalent,SING,C44,O64,,,,,28112,bmse010120,1
67,covalent,SING,C45,O65,,,,,28112,bmse010120,1
68,covalent,SING,C1,H67,,,,,28112,bmse010120,1
69,covalent,SING,C1,H66,,,,,28112,bmse010120,1
70,covalent,SING,C1,H68,,,,,28112,bmse010120,1
71,covalent,SING,C2,H71,,,,,28112,bmse010120,1
72,covalent,SING,C2,H69,,,,,28112,bmse010120,1
73,covalent,SING,C2,H70,,,,,28112,bmse010120,1
74,covalent,SING,C3,H72,,,,,28112,bmse010120,1
75,covalent,SING,C3,H73,,,,,28112,bmse010120,1
76,covalent,SING,C3,H74,,,,,28112,bmse010120,1
77,covalent,SING,C4,H76,,,,,28112,bmse010120,1
78,covalent,SING,C4,H77,,,,,28112,bmse010120,1
79,covalent,SING,C4,H75,,,,,28112,bmse010120,1
80,covalent,SING,C5,H79,,,,,28112,bmse010120,1
81,covalent,SING,C5,H80,,,,,28112,bmse010120,1
82,covalent,SING,C5,H78,,,,,28112,bmse010120,1
83,covalent,SING,C6,H83,,,,,28112,bmse010120,1
84,covalent,SING,C6,H82,,,,,28112,bmse010120,1
85,covalent,SING,C6,H81,,,,,28112,bmse010120,1
86,covalent,SING,C7,H84,,,,,28112,bmse010120,1
87,covalent,SING,C7,H86,,,,,28112,bmse010120,1
88,covalent,SING,C7,H85,,,,,28112,bmse010120,1
89,covalent,SING,C8,H88,,,,,28112,bmse010120,1
90,covalent,SING,C8,H87,,,,,28112,bmse010120,1
91,covalent,SING,C8,H89,,,,,28112,bmse010120,1
92,covalent,SING,C9,H92,,,,,28112,bmse010120,1
93,covalent,SING,C9,H90,,,,,28112,bmse010120,1
94,covalent,SING,C9,H91,,,,,28112,bmse010120,1
95,covalent,SING,C10,H93,,,,,28112,bmse010120,1
96,covalent,SING,C10,H95,,,,,28112,bmse010120,1
97,covalent,SING,C10,H94,,,,,28112,bmse010120,1
98,covalent,SING,C11,H96,,,,,28112,bmse010120,1
99,covalent,SING,C11,H98,,,,,28112,bmse010120,1
100,covalent,SING,C11,H97,,,,,28112,bmse010120,1
101,covalent,SING,C12,H99,,,,,28112,bmse010120,1
102,covalent,SING,C12,H100,,,,,28112,bmse010120,1
103,covalent,SING,C12,H101,,,,,28112,bmse010120,1
104,covalent,SING,C13,H102,,,,,28112,bmse010120,1
105,covalent,SING,C14,H103,,,,,28112,bmse010120,1
106,covalent,SING,C15,H104,,,,,28112,bmse010120,1
107,covalent,SING,C15,H105,,,,,28112,bmse010120,1
108,covalent,SING,C16,H106,,,,,28112,bmse010120,1
109,covalent,SING,C17,H107,,,,,28112,bmse010120,1
110,covalent,SING,C18,H108,,,,,28112,bmse010120,1
111,covalent,SING,C19,H109,,,,,28112,bmse010120,1
112,covalent,SING,C20,H110,,,,,28112,bmse010120,1
113,covalent,SING,C21,H111,,,,,28112,bmse010120,1
114,covalent,SING,C22,H112,,,,,28112,bmse010120,1
115,covalent,SING,C22,H113,,,,,28112,bmse010120,1
116,covalent,SING,C23,H114,,,,,28112,bmse010120,1
117,covalent,SING,C23,H115,,,,,28112,bmse010120,1
118,covalent,SING,C39,H116,,,,,28112,bmse010120,1
119,covalent,SING,C40,H117,,,,,28112,bmse010120,1
120,covalent,SING,C41,H118,,,,,28112,bmse010120,1
121,covalent,SING,C42,H119,,,,,28112,bmse010120,1
1,covalent,SING,C1,O49,,,,,28132,bmse010121,1
2,covalent,SING,C2,O50,,,,,28132,bmse010121,1
3,covalent,SING,C3,O51,,,,,28132,bmse010121,1
4,covalent,SING,C4,O52,,,,,28132,bmse010121,1
5,covalent,SING,C5,O53,,,,,28132,bmse010121,1
6,covalent,SING,C6,O54,,,,,28132,bmse010121,1
7,covalent,DOUB,C7,C9,,,,,28132,bmse010121,1
8,covalent,SING,C7,C21,,,,,28132,bmse010121,1
9,covalent,DOUB,C8,C10,,,,,28132,bmse010121,1
10,covalent,SING,C8,C22,,,,,28132,bmse010121,1
11,covalent,SING,C9,C27,,,,,28132,bmse010121,1
12,covalent,SING,C10,C28,,,,,28132,bmse010121,1
13,covalent,DOUB,C11,C21,,,,,28132,bmse010121,1
14,covalent,SING,C11,C29,,,,,28132,bmse010121,1
15,covalent,DOUB,C12,C22,,,,,28132,bmse010121,1
16,covalent,SING,C12,C30,,,,,28132,bmse010121,1
17,covalent,DOUB,C13,C23,,,,,28132,bmse010121,1
18,covalent,SING,C13,C31,,,,,28132,bmse010121,1
19,covalent,SING,C14,C23,,,,,28132,bmse010121,1
20,covalent,DOUB,C14,C32,,,,,28132,bmse010121,1
21,covalent,DOUB,C15,C24,,,,,28132,bmse010121,1
22,covalent,SING,C15,C33,,,,,28132,bmse010121,1
23,covalent,SING,C16,C24,,,,,28132,bmse010121,1
24,covalent,DOUB,C16,C34,,,,,28132,bmse010121,1
25,covalent,SING,C17,C35,,,,,28132,bmse010121,1
26,covalent,SING,C17,O43,,,,,28132,bmse010121,1
27,covalent,SING,C18,C36,,,,,28132,bmse010121,1
28,covalent,SING,C18,O44,,,,,28132,bmse010121,1
29,covalent,SING,C19,C25,,,,,28132,bmse010121,1
30,covalent,SING,C19,O56,,,,,28132,bmse010121,1
31,covalent,SING,C20,C26,,,,,28132,bmse010121,1
32,covalent,SING,C20,O55,,,,,28132,bmse010121,1
33,covalent,SING,C21,C37,,,,,28132,bmse010121,1
34,covalent,SING,C22,C38,,,,,28132,bmse010121,1
35,covalent,SING,C23,C39,,,,,28132,bmse010121,1
36,covalent,SING,C24,C40,,,,,28132,bmse010121,1
37,covalent,SING,C25,C26,,,,,28132,bmse010121,1
38,covalent,SING,C25,C39,,,,,28132,bmse010121,1
39,covalent,SING,C26,C40,,,,,28132,bmse010121,1
40,covalent,DOUB,C27,C29,,,,,28132,bmse010121,1
41,covalent,SING,C27,O45,,,,,28132,bmse010121,1
42,covalent,DOUB,C28,C30,,,,,28132,bmse010121,1
43,covalent,SING,C28,O46,,,,,28132,bmse010121,1
44,covalent,SING,C29,O49,,,,,28132,bmse010121,1
45,covalent,SING,C30,O50,,,,,28132,bmse010121,1
46,covalent,DOUB,C31,C41,,,,,28132,bmse010121,1
47,covalent,SING,C31,O51,,,,,28132,bmse010121,1
48,covalent,SING,C32,C41,,,,,28132,bmse010121,1
49,covalent,SING,C32,O52,,,,,28132,bmse010121,1
50,covalent,DOUB,C33,C42,,,,,28132,bmse010121,1
51,covalent,SING,C33,O53,,,,,28132,bmse010121,1
52,covalent,SING,C34,C42,,,,,28132,bmse010121,1
53,covalent,SING,C34,O54,,,,,28132,bmse010121,1
54,covalent,SING,C35,C37,,,,,28132,bmse010121,1
55,covalent,SING,C35,O57,,,,,28132,bmse010121,1
56,covalent,SING,C36,C38,,,,,28132,bmse010121,1
57,covalent,SING,C36,O58,,,,,28132,bmse010121,1
58,covalent,SING,C37,O47,,,,,28132,bmse010121,1
59,covalent,SING,C38,O48,,,,,28132,bmse010121,1
60,covalent,SING,C39,O55,,,,,28132,bmse010121,1
61,covalent,SING,C40,O56,,,,,28132,bmse010121,1
62,covalent,SING,C41,O57,,,,,28132,bmse010121,1
63,covalent,SING,C42,O58,,,,,28132,bmse010121,1
64,covalent,SING,C1,H60,,,,,28132,bmse010121,1
65,covalent,SING,C1,H61,,,,,28132,bmse010121,1
66,covalent,SING,C1,H59,,,,,28132,bmse010121,1
67,covalent,SING,C2,H63,,,,,28132,bmse010121,1
68,covalent,SING,C2,H62,,,,,28132,bmse010121,1
69,covalent,SING,C2,H64,,,,,28132,bmse010121,1
70,covalent,SING,C3,H67,,,,,28132,bmse010121,1
71,covalent,SING,C3,H65,,,,,28132,bmse010121,1
72,covalent,SING,C3,H66,,,,,28132,bmse010121,1
73,covalent,SING,C4,H68,,,,,28132,bmse010121,1
74,covalent,SING,C4,H69,,,,,28132,bmse010121,1
75,covalent,SING,C4,H70,,,,,28132,bmse010121,1
76,covalent,SING,C5,H71,,,,,28132,bmse010121,1
77,covalent,SING,C5,H73,,,,,28132,bmse010121,1
78,covalent,SING,C5,H72,,,,,28132,bmse010121,1
79,covalent,SING,C6,H76,,,,,28132,bmse010121,1
80,covalent,SING,C6,H75,,,,,28132,bmse010121,1
81,covalent,SING,C6,H74,,,,,28132,bmse010121,1
82,covalent,SING,C7,H77,,,,,28132,bmse010121,1
83,covalent,SING,C8,H78,,,,,28132,bmse010121,1
84,covalent,SING,C9,H79,,,,,28132,bmse010121,1
85,covalent,SING,C10,H80,,,,,28132,bmse010121,1
86,covalent,SING,C11,H81,,,,,28132,bmse010121,1
87,covalent,SING,C12,H82,,,,,28132,bmse010121,1
88,covalent,SING,C13,H83,,,,,28132,bmse010121,1
89,covalent,SING,C14,H84,,,,,28132,bmse010121,1
90,covalent,SING,C15,H85,,,,,28132,bmse010121,1
91,covalent,SING,C16,H86,,,,,28132,bmse010121,1
92,covalent,SING,C17,H87,,,,,28132,bmse010121,1
93,covalent,SING,C17,H88,,,,,28132,bmse010121,1
94,covalent,SING,C18,H89,,,,,28132,bmse010121,1
95,covalent,SING,C18,H90,,,,,28132,bmse010121,1
96,covalent,SING,C19,H91,,,,,28132,bmse010121,1
97,covalent,SING,C19,H92,,,,,28132,bmse010121,1
98,covalent,SING,C20,H93,,,,,28132,bmse010121,1
99,covalent,SING,C20,H94,,,,,28132,bmse010121,1
100,covalent,SING,C25,H95,,,,,28132,bmse010121,1
101,covalent,SING,C26,H96,,,,,28132,bmse010121,1
102,covalent,SING,C35,H97,,,,,28132,bmse010121,1
103,covalent,SING,C36,H98,,,,,28132,bmse010121,1
104,covalent,SING,C37,H99,,,,,28132,bmse010121,1
105,covalent,SING,C38,H100,,,,,28132,bmse010121,1
106,covalent,SING,C39,H101,,,,,28132,bmse010121,1
107,covalent,SING,C40,H102,,,,,28132,bmse010121,1
108,covalent,SING,O43,H103,,,,,28132,bmse010121,1
109,covalent,SING,O44,H104,,,,,28132,bmse010121,1
110,covalent,SING,O45,H105,,,,,28132,bmse010121,1
111,covalent,SING,O46,H106,,,,,28132,bmse010121,1
112,covalent,SING,O47,H107,,,,,28132,bmse010121,1
113,covalent,SING,O48,H108,,,,,28132,bmse010121,1
1,covalent,SING,C1,C8,,,,,28152,bmse010122,1
2,covalent,SING,C2,C9,,,,,28152,bmse010122,1
3,covalent,SING,C3,C10,,,,,28152,bmse010122,1
4,covalent,SING,C4,O17,,,,,28152,bmse010122,1
5,covalent,SING,C5,O18,,,,,28152,bmse010122,1
6,covalent,DOUB,C6,C11,,,,,28152,bmse010122,1
7,covalent,SING,C6,C12,,,,,28152,bmse010122,1
8,covalent,SING,C7,C11,,,,,28152,bmse010122,1
9,covalent,DOUB,C7,C13,,,,,28152,bmse010122,1
10,covalent,SING,C8,C11,,,,,28152,bmse010122,1
11,covalent,SING,C8,O19,,,,,28152,bmse010122,1
12,covalent,DOUB,C9,O15,,,,,28152,bmse010122,1
13,covalent,SING,C9,O19,,,,,28152,bmse010122,1
14,covalent,DOUB,C10,O16,,,,,28152,bmse010122,1
15,covalent,SING,C10,O20,,,,,28152,bmse010122,1
16,covalent,DOUB,C12,C14,,,,,28152,bmse010122,1
17,covalent,SING,C12,O17,,,,,28152,bmse010122,1
18,covalent,SING,C13,C14,,,,,28152,bmse010122,1
19,covalent,SING,C13,O18,,,,,28152,bmse010122,1
20,covalent,SING,C14,O20,,,,,28152,bmse010122,1
21,covalent,SING,C1,H21,,,,,28152,bmse010122,1
22,covalent,SING,C1,H22,,,,,28152,bmse010122,1
23,covalent,SING,C1,H23,,,,,28152,bmse010122,1
24,covalent,SING,C2,H24,,,,,28152,bmse010122,1
25,covalent,SING,C2,H25,,,,,28152,bmse010122,1
26,covalent,SING,C2,H26,,,,,28152,bmse010122,1
27,covalent,SING,C3,H27,,,,,28152,bmse010122,1
28,covalent,SING,C3,H28,,,,,28152,bmse010122,1
29,covalent,SING,C3,H29,,,,,28152,bmse010122,1
30,covalent,SING,C4,H30,,,,,28152,bmse010122,1
31,covalent,SING,C4,H31,,,,,28152,bmse010122,1
32,covalent,SING,C4,H32,,,,,28152,bmse010122,1
33,covalent,SING,C5,H33,,,,,28152,bmse010122,1
34,covalent,SING,C5,H34,,,,,28152,bmse010122,1
35,covalent,SING,C5,H35,,,,,28152,bmse010122,1
36,covalent,SING,C6,H36,,,,,28152,bmse010122,1
37,covalent,SING,C7,H37,,,,,28152,bmse010122,1
38,covalent,SING,C8,H38,,,,,28152,bmse010122,1
1,covalent,SING,C1,C9,,,,,28172,bmse010123,1
2,covalent,SING,C2,O17,,,,,28172,bmse010123,1
3,covalent,SING,C3,O18,,,,,28172,bmse010123,1
4,covalent,SING,C4,O19,,,,,28172,bmse010123,1
5,covalent,DOUB,C5,C6,,,,,28172,bmse010123,1
6,covalent,SING,C5,C10,,,,,28172,bmse010123,1
7,covalent,SING,C6,C13,,,,,28172,bmse010123,1
8,covalent,DOUB,C7,C10,,,,,28172,bmse010123,1
9,covalent,SING,C7,C11,,,,,28172,bmse010123,1
10,covalent,SING,C8,C10,,,,,28172,bmse010123,1
11,covalent,DOUB,C8,C12,,,,,28172,bmse010123,1
12,covalent,DOUB,C9,O15,,,,,28172,bmse010123,1
13,covalent,SING,C9,O20,,,,,28172,bmse010123,1
14,covalent,DOUB,C11,C14,,,,,28172,bmse010123,1
15,covalent,SING,C11,O17,,,,,28172,bmse010123,1
16,covalent,SING,C12,C14,,,,,28172,bmse010123,1
17,covalent,SING,C12,O18,,,,,28172,bmse010123,1
18,covalent,DOUB,C13,O16,,,,,28172,bmse010123,1
19,covalent,SING,C13,O19,,,,,28172,bmse010123,1
20,covalent,SING,C14,O20,,,,,28172,bmse010123,1
21,covalent,SING,C1,H22,,,,,28172,bmse010123,1
22,covalent,SING,C1,H21,,,,,28172,bmse010123,1
23,covalent,SING,C1,H23,,,,,28172,bmse010123,1
24,covalent,SING,C2,H26,,,,,28172,bmse010123,1
25,covalent,SING,C2,H25,,,,,28172,bmse010123,1
26,covalent,SING,C2,H24,,,,,28172,bmse010123,1
27,covalent,SING,C3,H27,,,,,28172,bmse010123,1
28,covalent,SING,C3,H29,,,,,28172,bmse010123,1
29,covalent,SING,C3,H28,,,,,28172,bmse010123,1
30,covalent,SING,C4,H30,,,,,28172,bmse010123,1
31,covalent,SING,C4,H32,,,,,28172,bmse010123,1
32,covalent,SING,C4,H31,,,,,28172,bmse010123,1
33,covalent,SING,C5,H33,,,,,28172,bmse010123,1
34,covalent,SING,C6,H34,,,,,28172,bmse010123,1
35,covalent,SING,C7,H35,,,,,28172,bmse010123,1
36,covalent,SING,C8,H36,,,,,28172,bmse010123,1
1,covalent,SING,C1,C27,,,,,28192,bmse010124,1
2,covalent,SING,C2,C28,,,,,28192,bmse010124,1
3,covalent,SING,C3,C29,,,,,28192,bmse010124,1
4,covalent,SING,C4,C30,,,,,28192,bmse010124,1
5,covalent,SING,C5,C31,,,,,28192,bmse010124,1
6,covalent,SING,C6,C32,,,,,28192,bmse010124,1
7,covalent,SING,C7,O61,,,,,28192,bmse010124,1
8,covalent,SING,C8,O62,,,,,28192,bmse010124,1
9,covalent,SING,C9,O63,,,,,28192,bmse010124,1
10,covalent,SING,C10,O64,,,,,28192,bmse010124,1
11,covalent,SING,C11,O65,,,,,28192,bmse010124,1
12,covalent,SING,C12,O66,,,,,28192,bmse010124,1
13,covalent,DOUB,C13,C15,,,,,28192,bmse010124,1
14,covalent,SING,C13,C33,,,,,28192,bmse010124,1
15,covalent,DOUB,C14,C16,,,,,28192,bmse010124,1
16,covalent,SING,C14,C34,,,,,28192,bmse010124,1
17,covalent,SING,C15,C39,,,,,28192,bmse010124,1
18,covalent,SING,C16,C40,,,,,28192,bmse010124,1
19,covalent,DOUB,C17,C33,,,,,28192,bmse010124,1
20,covalent,SING,C17,C41,,,,,28192,bmse010124,1
21,covalent,DOUB,C18,C34,,,,,28192,bmse010124,1
22,covalent,SING,C18,C42,,,,,28192,bmse010124,1
23,covalent,DOUB,C19,C35,,,,,28192,bmse010124,1
24,covalent,SING,C19,C43,,,,,28192,bmse010124,1
25,covalent,SING,C20,C35,,,,,28192,bmse010124,1
26,covalent,DOUB,C20,C44,,,,,28192,bmse010124,1
27,covalent,DOUB,C21,C36,,,,,28192,bmse010124,1
28,covalent,SING,C21,C45,,,,,28192,bmse010124,1
29,covalent,SING,C22,C36,,,,,28192,bmse010124,1
30,covalent,DOUB,C22,C46,,,,,28192,bmse010124,1
31,covalent,SING,C23,C37,,,,,28192,bmse010124,1
32,covalent,SING,C23,O70,,,,,28192,bmse010124,1
33,covalent,SING,C24,C38,,,,,28192,bmse010124,1
34,covalent,SING,C24,O69,,,,,28192,bmse010124,1
35,covalent,SING,C25,C47,,,,,28192,bmse010124,1
36,covalent,SING,C25,O67,,,,,28192,bmse010124,1
37,covalent,SING,C26,C48,,,,,28192,bmse010124,1
38,covalent,SING,C26,O68,,,,,28192,bmse010124,1
39,covalent,DOUB,C27,O55,,,,,28192,bmse010124,1
40,covalent,SING,C27,O67,,,,,28192,bmse010124,1
41,covalent,DOUB,C28,O56,,,,,28192,bmse010124,1
42,covalent,SING,C28,O68,,,,,28192,bmse010124,1
43,covalent,DOUB,C29,O57,,,,,28192,bmse010124,1
44,covalent,SING,C29,O71,,,,,28192,bmse010124,1
45,covalent,DOUB,C30,O58,,,,,28192,bmse010124,1
46,covalent,SING,C30,O72,,,,,28192,bmse010124,1
47,covalent,DOUB,C31,O59,,,,,28192,bmse010124,1
48,covalent,SING,C31,O73,,,,,28192,bmse010124,1
49,covalent,DOUB,C32,O60,,,,,28192,bmse010124,1
50,covalent,SING,C32,O74,,,,,28192,bmse010124,1
51,covalent,SING,C33,C51,,,,,28192,bmse010124,1
52,covalent,SING,C34,C52,,,,,28192,bmse010124,1
53,covalent,SING,C35,C49,,,,,28192,bmse010124,1
54,covalent,SING,C36,C50,,,,,28192,bmse010124,1
55,covalent,SING,C37,C38,,,,,28192,bmse010124,1
56,covalent,SING,C37,C49,,,,,28192,bmse010124,1
57,covalent,SING,C38,C50,,,,,28192,bmse010124,1
58,covalent,DOUB,C39,C41,,,,,28192,bmse010124,1
59,covalent,SING,C39,O71,,,,,28192,bmse010124,1
60,covalent,DOUB,C40,C42,,,,,28192,bmse010124,1
61,covalent,SING,C40,O72,,,,,28192,bmse010124,1
62,covalent,SING,C41,O61,,,,,28192,bmse010124,1
63,covalent,SING,C42,O62,,,,,28192,bmse010124,1
64,covalent,DOUB,C43,C53,,,,,28192,bmse010124,1
65,covalent,SING,C43,O63,,,,,28192,bmse010124,1
66,covalent,SING,C44,C53,,,,,28192,bmse010124,1
67,covalent,SING,C44,O64,,,,,28192,bmse010124,1
68,covalent,DOUB,C45,C54,,,,,28192,bmse010124,1
69,covalent,SING,C45,O65,,,,,28192,bmse010124,1
70,covalent,SING,C46,C54,,,,,28192,bmse010124,1
71,covalent,SING,C46,O66,,,,,28192,bmse010124,1
72,covalent,SING,C47,C51,,,,,28192,bmse010124,1
73,covalent,SING,C47,O75,,,,,28192,bmse010124,1
74,covalent,SING,C48,C52,,,,,28192,bmse010124,1
75,covalent,SING,C48,O76,,,,,28192,bmse010124,1
76,covalent,SING,C49,O69,,,,,28192,bmse010124,1
77,covalent,SING,C50,O70,,,,,28192,bmse010124,1
78,covalent,SING,C51,O73,,,,,28192,bmse010124,1
79,covalent,SING,C52,O74,,,,,28192,bmse010124,1
80,covalent,SING,C53,O75,,,,,28192,bmse010124,1
81,covalent,SING,C54,O76,,,,,28192,bmse010124,1
82,covalent,SING,C1,H79,,,,,28192,bmse010124,1
83,covalent,SING,C1,H78,,,,,28192,bmse010124,1
84,covalent,SING,C1,H77,,,,,28192,bmse010124,1
85,covalent,SING,C2,H80,,,,,28192,bmse010124,1
86,covalent,SING,C2,H81,,,,,28192,bmse010124,1
87,covalent,SING,C2,H82,,,,,28192,bmse010124,1
88,covalent,SING,C3,H83,,,,,28192,bmse010124,1
89,covalent,SING,C3,H84,,,,,28192,bmse010124,1
90,covalent,SING,C3,H85,,,,,28192,bmse010124,1
91,covalent,SING,C4,H88,,,,,28192,bmse010124,1
92,covalent,SING,C4,H87,,,,,28192,bmse010124,1
93,covalent,SING,C4,H86,,,,,28192,bmse010124,1
94,covalent,SING,C5,H89,,,,,28192,bmse010124,1
95,covalent,SING,C5,H91,,,,,28192,bmse010124,1
96,covalent,SING,C5,H90,,,,,28192,bmse010124,1
97,covalent,SING,C6,H94,,,,,28192,bmse010124,1
98,covalent,SING,C6,H92,,,,,28192,bmse010124,1
99,covalent,SING,C6,H93,,,,,28192,bmse010124,1
100,covalent,SING,C7,H96,,,,,28192,bmse010124,1
101,covalent,SING,C7,H97,,,,,28192,bmse010124,1
102,covalent,SING,C7,H95,,,,,28192,bmse010124,1
103,covalent,SING,C8,H99,,,,,28192,bmse010124,1
104,covalent,SING,C8,H98,,,,,28192,bmse010124,1
105,covalent,SING,C8,H100,,,,,28192,bmse010124,1
106,covalent,SING,C9,H101,,,,,28192,bmse010124,1
107,covalent,SING,C9,H103,,,,,28192,bmse010124,1
108,covalent,SING,C9,H102,,,,,28192,bmse010124,1
109,covalent,SING,C10,H104,,,,,28192,bmse010124,1
110,covalent,SING,C10,H105,,,,,28192,bmse010124,1
111,covalent,SING,C10,H106,,,,,28192,bmse010124,1
112,covalent,SING,C11,H107,,,,,28192,bmse010124,1
113,covalent,SING,C11,H109,,,,,28192,bmse010124,1
114,covalent,SING,C11,H108,,,,,28192,bmse010124,1
115,covalent,SING,C12,H112,,,,,28192,bmse010124,1
116,covalent,SING,C12,H111,,,,,28192,bmse010124,1
117,covalent,SING,C12,H110,,,,,28192,bmse010124,1
118,covalent,SING,C13,H113,,,,,28192,bmse010124,1
119,covalent,SING,C14,H114,,,,,28192,bmse010124,1
120,covalent,SING,C15,H115,,,,,28192,bmse010124,1
121,covalent,SING,C16,H116,,,,,28192,bmse010124,1
122,covalent,SING,C17,H117,,,,,28192,bmse010124,1
123,covalent,SING,C18,H118,,,,,28192,bmse010124,1
124,covalent,SING,C19,H119,,,,,28192,bmse010124,1
125,covalent,SING,C20,H120,,,,,28192,bmse010124,1
126,covalent,SING,C21,H121,,,,,28192,bmse010124,1
127,covalent,SING,C22,H122,,,,,28192,bmse010124,1
128,covalent,SING,C23,H123,,,,,28192,bmse010124,1
129,covalent,SING,C23,H124,,,,,28192,bmse010124,1
130,covalent,SING,C24,H125,,,,,28192,bmse010124,1
131,covalent,SING,C24,H126,,,,,28192,bmse010124,1
132,covalent,SING,C25,H127,,,,,28192,bmse010124,1
133,covalent,SING,C25,H128,,,,,28192,bmse010124,1
134,covalent,SING,C26,H129,,,,,28192,bmse010124,1
135,covalent,SING,C26,H130,,,,,28192,bmse010124,1
136,covalent,SING,C37,H131,,,,,28192,bmse010124,1
137,covalent,SING,C38,H132,,,,,28192,bmse010124,1
138,covalent,SING,C47,H133,,,,,28192,bmse010124,1
139,covalent,SING,C48,H134,,,,,28192,bmse010124,1
140,covalent,SING,C49,H135,,,,,28192,bmse010124,1
141,covalent,SING,C50,H136,,,,,28192,bmse010124,1
142,covalent,SING,C51,H137,,,,,28192,bmse010124,1
143,covalent,SING,C52,H138,,,,,28192,bmse010124,1
1,covalent,SING,C1,O38,,,,,28212,bmse010125,1
2,covalent,SING,C2,O39,,,,,28212,bmse010125,1
3,covalent,SING,C3,O40,,,,,28212,bmse010125,1
4,covalent,SING,C4,O41,,,,,28212,bmse010125,1
5,covalent,SING,C5,O42,,,,,28212,bmse010125,1
6,covalent,SING,C6,O43,,,,,28212,bmse010125,1
7,covalent,DOUB,C7,C16,,,,,28212,bmse010125,1
8,covalent,SING,C7,C21,,,,,28212,bmse010125,1
9,covalent,SING,C8,C16,,,,,28212,bmse010125,1
10,covalent,DOUB,C8,C22,,,,,28212,bmse010125,1
11,covalent,DOUB,C9,C17,,,,,28212,bmse010125,1
12,covalent,SING,C9,C23,,,,,28212,bmse010125,1
13,covalent,SING,C10,C17,,,,,28212,bmse010125,1
14,covalent,DOUB,C10,C24,,,,,28212,bmse010125,1
15,covalent,DOUB,C11,C18,,,,,28212,bmse010125,1
16,covalent,SING,C11,C25,,,,,28212,bmse010125,1
17,covalent,SING,C12,C18,,,,,28212,bmse010125,1
18,covalent,DOUB,C12,C26,,,,,28212,bmse010125,1
19,covalent,SING,C13,C27,,,,,28212,bmse010125,1
20,covalent,SING,C13,O34,,,,,28212,bmse010125,1
21,covalent,SING,C14,C19,,,,,28212,bmse010125,1
22,covalent,SING,C14,O45,,,,,28212,bmse010125,1
23,covalent,SING,C15,C20,,,,,28212,bmse010125,1
24,covalent,SING,C15,O44,,,,,28212,bmse010125,1
25,covalent,SING,C16,C28,,,,,28212,bmse010125,1
26,covalent,SING,C17,C31,,,,,28212,bmse010125,1
27,covalent,SING,C18,C32,,,,,28212,bmse010125,1
28,covalent,SING,C19,C20,,,,,28212,bmse010125,1
29,covalent,SING,C19,C31,,,,,28212,bmse010125,1
30,covalent,SING,C20,C32,,,,,28212,bmse010125,1
31,covalent,DOUB,C21,C29,,,,,28212,bmse010125,1
32,covalent,SING,C21,O38,,,,,28212,bmse010125,1
33,covalent,SING,C22,C29,,,,,28212,bmse010125,1
34,covalent,SING,C22,O39,,,,,28212,bmse010125,1
35,covalent,DOUB,C23,C30,,,,,28212,bmse010125,1
36,covalent,SING,C23,O40,,,,,28212,bmse010125,1
37,covalent,SING,C24,C30,,,,,28212,bmse010125,1
38,covalent,SING,C24,O41,,,,,28212,bmse010125,1
39,covalent,DOUB,C25,C33,,,,,28212,bmse010125,1
40,covalent,SING,C25,O42,,,,,28212,bmse010125,1
41,covalent,SING,C26,C33,,,,,28212,bmse010125,1
42,covalent,SING,C26,O43,,,,,28212,bmse010125,1
43,covalent,SING,C27,C28,,,,,28212,bmse010125,1
44,covalent,SING,C27,O46,,,,,28212,bmse010125,1
45,covalent,SING,C28,O35,,,,,28212,bmse010125,1
46,covalent,SING,C29,O36,,,,,28212,bmse010125,1
47,covalent,SING,C30,O37,,,,,28212,bmse010125,1
48,covalent,SING,C31,O44,,,,,28212,bmse010125,1
49,covalent,SING,C32,O45,,,,,28212,bmse010125,1
50,covalent,SING,C33,O46,,,,,28212,bmse010125,1
51,covalent,SING,C1,H47,,,,,28212,bmse010125,1
52,covalent,SING,C1,H48,,,,,28212,bmse010125,1
53,covalent,SING,C1,H49,,,,,28212,bmse010125,1
54,covalent,SING,C2,H51,,,,,28212,bmse010125,1
55,covalent,SING,C2,H50,,,,,28212,bmse010125,1
56,covalent,SING,C2,H52,,,,,28212,bmse010125,1
57,covalent,SING,C3,H53,,,,,28212,bmse010125,1
58,covalent,SING,C3,H54,,,,,28212,bmse010125,1
59,covalent,SING,C3,H55,,,,,28212,bmse010125,1
60,covalent,SING,C4,H56,,,,,28212,bmse010125,1
61,covalent,SING,C4,H57,,,,,28212,bmse010125,1
62,covalent,SING,C4,H58,,,,,28212,bmse010125,1
63,covalent,SING,C5,H61,,,,,28212,bmse010125,1
64,covalent,SING,C5,H59,,,,,28212,bmse010125,1
65,covalent,SING,C5,H60,,,,,28212,bmse010125,1
66,covalent,SING,C6,H63,,,,,28212,bmse010125,1
67,covalent,SING,C6,H64,,,,,28212,bmse010125,1
68,covalent,SING,C6,H62,,,,,28212,bmse010125,1
69,covalent,SING,C7,H65,,,,,28212,bmse010125,1
70,covalent,SING,C8,H66,,,,,28212,bmse010125,1
71,covalent,SING,C9,H67,,,,,28212,bmse010125,1
72,covalent,SING,C10,H68,,,,,28212,bmse010125,1
73,covalent,SING,C11,H69,,,,,28212,bmse010125,1
74,covalent,SING,C12,H70,,,,,28212,bmse010125,1
75,covalent,SING,C13,H71,,,,,28212,bmse010125,1
76,covalent,SING,C13,H72,,,,,28212,bmse010125,1
77,covalent,SING,C14,H73,,,,,28212,bmse010125,1
78,covalent,SING,C14,H74,,,,,28212,bmse010125,1
79,covalent,SING,C15,H75,,,,,28212,bmse010125,1
80,covalent,SING,C15,H76,,,,,28212,bmse010125,1
81,covalent,SING,C19,H77,,,,,28212,bmse010125,1
82,covalent,SING,C20,H78,,,,,28212,bmse010125,1
83,covalent,SING,C27,H79,,,,,28212,bmse010125,1
84,covalent,SING,C28,H80,,,,,28212,bmse010125,1
85,covalent,SING,C31,H81,,,,,28212,bmse010125,1
86,covalent,SING,C32,H82,,,,,28212,bmse010125,1
87,covalent,SING,O34,H83,,,,,28212,bmse010125,1
88,covalent,SING,O35,H84,,,,,28212,bmse010125,1
89,covalent,SING,O36,H85,,,,,28212,bmse010125,1
90,covalent,SING,O37,H86,,,,,28212,bmse010125,1
1,covalent,SING,C1,C20,,,,,28232,bmse010126,1
2,covalent,SING,C2,C21,,,,,28232,bmse010126,1
3,covalent,SING,C3,C22,,,,,28232,bmse010126,1
4,covalent,SING,C4,C23,,,,,28232,bmse010126,1
5,covalent,SING,C5,O46,,,,,28232,bmse010126,1
6,covalent,SING,C6,O47,,,,,28232,bmse010126,1
7,covalent,SING,C7,O48,,,,,28232,bmse010126,1
8,covalent,SING,C8,O49,,,,,28232,bmse010126,1
9,covalent,SING,C9,O50,,,,,28232,bmse010126,1
10,covalent,SING,C10,O51,,,,,28232,bmse010126,1
11,covalent,DOUB,C11,C24,,,,,28232,bmse010126,1
12,covalent,SING,C11,C29,,,,,28232,bmse010126,1
13,covalent,SING,C12,C24,,,,,28232,bmse010126,1
14,covalent,DOUB,C12,C30,,,,,28232,bmse010126,1
15,covalent,DOUB,C13,C25,,,,,28232,bmse010126,1
16,covalent,SING,C13,C33,,,,,28232,bmse010126,1
17,covalent,SING,C14,C25,,,,,28232,bmse010126,1
18,covalent,DOUB,C14,C34,,,,,28232,bmse010126,1
19,covalent,DOUB,C15,C26,,,,,28232,bmse010126,1
20,covalent,SING,C15,C31,,,,,28232,bmse010126,1
21,covalent,SING,C16,C26,,,,,28232,bmse010126,1
22,covalent,DOUB,C16,C32,,,,,28232,bmse010126,1
23,covalent,SING,C17,C27,,,,,28232,bmse010126,1
24,covalent,SING,C17,O54,,,,,28232,bmse010126,1
25,covalent,SING,C18,C28,,,,,28232,bmse010126,1
26,covalent,SING,C18,O53,,,,,28232,bmse010126,1
27,covalent,SING,C19,C35,,,,,28232,bmse010126,1
28,covalent,SING,C19,O52,,,,,28232,bmse010126,1
29,covalent,DOUB,C20,O42,,,,,28232,bmse010126,1
30,covalent,SING,C20,O52,,,,,28232,bmse010126,1
31,covalent,DOUB,C21,O43,,,,,28232,bmse010126,1
32,covalent,SING,C21,O55,,,,,28232,bmse010126,1
33,covalent,DOUB,C22,O44,,,,,28232,bmse010126,1
34,covalent,SING,C22,O56,,,,,28232,bmse010126,1
35,covalent,DOUB,C23,O45,,,,,28232,bmse010126,1
36,covalent,SING,C23,O57,,,,,28232,bmse010126,1
37,covalent,SING,C24,C36,,,,,28232,bmse010126,1
38,covalent,SING,C25,C37,,,,,28232,bmse010126,1
39,covalent,SING,C26,C38,,,,,28232,bmse010126,1
40,covalent,SING,C27,C28,,,,,28232,bmse010126,1
41,covalent,SING,C27,C36,,,,,28232,bmse010126,1
42,covalent,SING,C28,C37,,,,,28232,bmse010126,1
43,covalent,DOUB,C29,C39,,,,,28232,bmse010126,1
44,covalent,SING,C29,O46,,,,,28232,bmse010126,1
45,covalent,SING,C30,C39,,,,,28232,bmse010126,1
46,covalent,SING,C30,O47,,,,,28232,bmse010126,1
47,covalent,DOUB,C31,C40,,,,,28232,bmse010126,1
48,covalent,SING,C31,O48,,,,,28232,bmse010126,1
49,covalent,SING,C32,C40,,,,,28232,bmse010126,1
50,covalent,SING,C32,O49,,,,,28232,bmse010126,1
51,covalent,DOUB,C33,C41,,,,,28232,bmse010126,1
52,covalent,SING,C33,O50,,,,,28232,bmse010126,1
53,covalent,SING,C34,C41,,,,,28232,bmse010126,1
54,covalent,SING,C34,O51,,,,,28232,bmse010126,1
55,covalent,SING,C35,C38,,,,,28232,bmse010126,1
56,covalent,SING,C35,O58,,,,,28232,bmse010126,1
57,covalent,SING,C36,O53,,,,,28232,bmse010126,1
58,covalent,SING,C37,O54,,,,,28232,bmse010126,1
59,covalent,SING,C38,O55,,,,,28232,bmse010126,1
60,covalent,SING,C39,O56,,,,,28232,bmse010126,1
61,covalent,SING,C40,O57,,,,,28232,bmse010126,1
62,covalent,SING,C41,O58,,,,,28232,bmse010126,1
63,covalent,SING,C1,H59,,,,,28232,bmse010126,1
64,covalent,SING,C1,H60,,,,,28232,bmse010126,1
65,covalent,SING,C1,H61,,,,,28232,bmse010126,1
66,covalent,SING,C2,H64,,,,,28232,bmse010126,1
67,covalent,SING,C2,H62,,,,,28232,bmse010126,1
68,covalent,SING,C2,H63,,,,,28232,bmse010126,1
69,covalent,SING,C3,H65,,,,,28232,bmse010126,1
70,covalent,SING,C3,H66,,,,,28232,bmse010126,1
71,covalent,SING,C3,H67,,,,,28232,bmse010126,1
72,covalent,SING,C4,H69,,,,,28232,bmse010126,1
73,covalent,SING,C4,H68,,,,,28232,bmse010126,1
74,covalent,SING,C4,H70,,,,,28232,bmse010126,1
75,covalent,SING,C5,H71,,,,,28232,bmse010126,1
76,covalent,SING,C5,H72,,,,,28232,bmse010126,1
77,covalent,SING,C5,H73,,,,,28232,bmse010126,1
78,covalent,SING,C6,H74,,,,,28232,bmse010126,1
79,covalent,SING,C6,H75,,,,,28232,bmse010126,1
80,covalent,SING,C6,H76,,,,,28232,bmse010126,1
81,covalent,SING,C7,H77,,,,,28232,bmse010126,1
82,covalent,SING,C7,H78,,,,,28232,bmse010126,1
83,covalent,SING,C7,H79,,,,,28232,bmse010126,1
84,covalent,SING,C8,H82,,,,,28232,bmse010126,1
85,covalent,SING,C8,H81,,,,,28232,bmse010126,1
86,covalent,SING,C8,H80,,,,,28232,bmse010126,1
87,covalent,SING,C9,H85,,,,,28232,bmse010126,1
88,covalent,SING,C9,H83,,,,,28232,bmse010126,1
89,covalent,SING,C9,H84,,,,,28232,bmse010126,1
90,covalent,SING,C10,H87,,,,,28232,bmse010126,1
91,covalent,SING,C10,H88,,,,,28232,bmse010126,1
92,covalent,SING,C10,H86,,,,,28232,bmse010126,1
93,covalent,SING,C11,H89,,,,,28232,bmse010126,1
94,covalent,SING,C12,H90,,,,,28232,bmse010126,1
95,covalent,SING,C13,H91,,,,,28232,bmse010126,1
96,covalent,SING,C14,H92,,,,,28232,bmse010126,1
97,covalent,SING,C15,H93,,,,,28232,bmse010126,1
98,covalent,SING,C16,H94,,,,,28232,bmse010126,1
99,covalent,SING,C17,H95,,,,,28232,bmse010126,1
100,covalent,SING,C17,H96,,,,,28232,bmse010126,1
101,covalent,SING,C18,H97,,,,,28232,bmse010126,1
102,covalent,SING,C18,H98,,,,,28232,bmse010126,1
103,covalent,SING,C19,H99,,,,,28232,bmse010126,1
104,covalent,SING,C19,H100,,,,,28232,bmse010126,1
105,covalent,SING,C27,H101,,,,,28232,bmse010126,1
106,covalent,SING,C28,H102,,,,,28232,bmse010126,1
107,covalent,SING,C35,H103,,,,,28232,bmse010126,1
108,covalent,SING,C36,H104,,,,,28232,bmse010126,1
109,covalent,SING,C37,H105,,,,,28232,bmse010126,1
110,covalent,SING,C38,H106,,,,,28232,bmse010126,1
1,covalent,SING,C1,C8,,,,,28252,bmse010127,1
2,covalent,SING,C2,C9,,,,,28252,bmse010127,1
3,covalent,SING,C3,O15,,,,,28252,bmse010127,1
4,covalent,DOUB,C4,C5,,,,,28252,bmse010127,1
5,covalent,SING,C4,C10,,,,,28252,bmse010127,1
6,covalent,SING,C5,C11,,,,,28252,bmse010127,1
7,covalent,DOUB,C6,C10,,,,,28252,bmse010127,1
8,covalent,SING,C6,C12,,,,,28252,bmse010127,1
9,covalent,SING,C7,C10,,,,,28252,bmse010127,1
10,covalent,SING,C7,O16,,,,,28252,bmse010127,1
11,covalent,DOUB,C8,O13,,,,,28252,bmse010127,1
12,covalent,SING,C8,O16,,,,,28252,bmse010127,1
13,covalent,DOUB,C9,O14,,,,,28252,bmse010127,1
14,covalent,SING,C9,O17,,,,,28252,bmse010127,1
15,covalent,DOUB,C11,C12,,,,,28252,bmse010127,1
16,covalent,SING,C11,O17,,,,,28252,bmse010127,1
17,covalent,SING,C12,O15,,,,,28252,bmse010127,1
18,covalent,SING,C1,H19,,,,,28252,bmse010127,1
19,covalent,SING,C1,H20,,,,,28252,bmse010127,1
20,covalent,SING,C1,H18,,,,,28252,bmse010127,1
21,covalent,SING,C2,H22,,,,,28252,bmse010127,1
22,covalent,SING,C2,H21,,,,,28252,bmse010127,1
23,covalent,SING,C2,H23,,,,,28252,bmse010127,1
24,covalent,SING,C3,H24,,,,,28252,bmse010127,1
25,covalent,SING,C3,H25,,,,,28252,bmse010127,1
26,covalent,SING,C3,H26,,,,,28252,bmse010127,1
27,covalent,SING,C4,H27,,,,,28252,bmse010127,1
28,covalent,SING,C5,H28,,,,,28252,bmse010127,1
29,covalent,SING,C6,H29,,,,,28252,bmse010127,1
30,covalent,SING,C7,H30,,,,,28252,bmse010127,1
31,covalent,SING,C7,H31,,,,,28252,bmse010127,1
1,covalent,SING,C1,C8,,,,,28272,bmse010128,1
2,covalent,SING,C2,C9,,,,,28272,bmse010128,1
3,covalent,SING,C3,O16,,,,,28272,bmse010128,1
4,covalent,SING,C4,O17,,,,,28272,bmse010128,1
5,covalent,DOUB,C5,C10,,,,,28272,bmse010128,1
6,covalent,SING,C5,C11,,,,,28272,bmse010128,1
7,covalent,SING,C6,C10,,,,,28272,bmse010128,1
8,covalent,DOUB,C6,C12,,,,,28272,bmse010128,1
9,covalent,SING,C7,C10,,,,,28272,bmse010128,1
10,covalent,SING,C7,O18,,,,,28272,bmse010128,1
11,covalent,DOUB,C8,O14,,,,,28272,bmse010128,1
12,covalent,SING,C8,O18,,,,,28272,bmse010128,1
13,covalent,DOUB,C9,O15,,,,,28272,bmse010128,1
14,covalent,SING,C9,O19,,,,,28272,bmse010128,1
15,covalent,DOUB,C11,C13,,,,,28272,bmse010128,1
16,covalent,SING,C11,O16,,,,,28272,bmse010128,1
17,covalent,SING,C12,C13,,,,,28272,bmse010128,1
18,covalent,SING,C12,O17,,,,,28272,bmse010128,1
19,covalent,SING,C13,O19,,,,,28272,bmse010128,1
20,covalent,SING,C1,H20,,,,,28272,bmse010128,1
21,covalent,SING,C1,H21,,,,,28272,bmse010128,1
22,covalent,SING,C1,H22,,,,,28272,bmse010128,1
23,covalent,SING,C2,H24,,,,,28272,bmse010128,1
24,covalent,SING,C2,H23,,,,,28272,bmse010128,1
25,covalent,SING,C2,H25,,,,,28272,bmse010128,1
26,covalent,SING,C3,H28,,,,,28272,bmse010128,1
27,covalent,SING,C3,H27,,,,,28272,bmse010128,1
28,covalent,SING,C3,H26,,,,,28272,bmse010128,1
29,covalent,SING,C4,H30,,,,,28272,bmse010128,1
30,covalent,SING,C4,H29,,,,,28272,bmse010128,1
31,covalent,SING,C4,H31,,,,,28272,bmse010128,1
32,covalent,SING,C5,H32,,,,,28272,bmse010128,1
33,covalent,SING,C6,H33,,,,,28272,bmse010128,1
34,covalent,SING,C7,H34,,,,,28272,bmse010128,1
35,covalent,SING,C7,H35,,,,,28272,bmse010128,1
1,covalent,SING,C1,C8,,,,,28292,bmse010129,1
2,covalent,SING,C2,C9,,,,,28292,bmse010129,1
3,covalent,SING,C3,C10,,,,,28292,bmse010129,1
4,covalent,SING,C4,O16,,,,,28292,bmse010129,1
5,covalent,DOUB,C5,C6,,,,,28292,bmse010129,1
6,covalent,SING,C5,C11,,,,,28292,bmse010129,1
7,covalent,SING,C6,C12,,,,,28292,bmse010129,1
8,covalent,DOUB,C7,C11,,,,,28292,bmse010129,1
9,covalent,SING,C7,C13,,,,,28292,bmse010129,1
10,covalent,SING,C8,C11,,,,,28292,bmse010129,1
11,covalent,SING,C8,O17,,,,,28292,bmse010129,1
12,covalent,DOUB,C9,O14,,,,,28292,bmse010129,1
13,covalent,SING,C9,O17,,,,,28292,bmse010129,1
14,covalent,DOUB,C10,O15,,,,,28292,bmse010129,1
15,covalent,SING,C10,O18,,,,,28292,bmse010129,1
16,covalent,DOUB,C12,C13,,,,,28292,bmse010129,1
17,covalent,SING,C12,O18,,,,,28292,bmse010129,1
18,covalent,SING,C13,O16,,,,,28292,bmse010129,1
19,covalent,SING,C1,H21,,,,,28292,bmse010129,1
20,covalent,SING,C1,H20,,,,,28292,bmse010129,1
21,covalent,SING,C1,H19,,,,,28292,bmse010129,1
22,covalent,SING,C2,H23,,,,,28292,bmse010129,1
23,covalent,SING,C2,H24,,,,,28292,bmse010129,1
24,covalent,SING,C2,H22,,,,,28292,bmse010129,1
25,covalent,SING,C3,H26,,,,,28292,bmse010129,1
26,covalent,SING,C3,H25,,,,,28292,bmse010129,1
27,covalent,SING,C3,H27,,,,,28292,bmse010129,1
28,covalent,SING,C4,H29,,,,,28292,bmse010129,1
29,covalent,SING,C4,H30,,,,,28292,bmse010129,1
30,covalent,SING,C4,H28,,,,,28292,bmse010129,1
31,covalent,SING,C5,H31,,,,,28292,bmse010129,1
32,covalent,SING,C6,H32,,,,,28292,bmse010129,1
33,covalent,SING,C7,H33,,,,,28292,bmse010129,1
34,covalent,SING,C8,H34,,,,,28292,bmse010129,1
1,covalent,SING,C1,O10,,,,,28312,bmse010130,1
2,covalent,SING,C2,C4,,,,,28312,bmse010130,1
3,covalent,DOUB,C2,C7,,,,,28312,bmse010130,1
4,covalent,DOUB,C3,C5,,,,,28312,bmse010130,1
5,covalent,SING,C3,C7,,,,,28312,bmse010130,1
6,covalent,DOUB,C4,C8,,,,,28312,bmse010130,1
7,covalent,SING,C5,C8,,,,,28312,bmse010130,1
8,covalent,SING,C6,C7,,,,,28312,bmse010130,1
9,covalent,DOUB,C6,O9,,,,,28312,bmse010130,1
10,covalent,SING,C8,O10,,,,,28312,bmse010130,1
11,covalent,SING,C1,H11,,,,,28312,bmse010130,1
12,covalent,SING,C1,H12,,,,,28312,bmse010130,1
13,covalent,SING,C1,H13,,,,,28312,bmse010130,1
14,covalent,SING,C2,H14,,,,,28312,bmse010130,1
15,covalent,SING,C3,H15,,,,,28312,bmse010130,1
16,covalent,SING,C4,H16,,,,,28312,bmse010130,1
17,covalent,SING,C5,H17,,,,,28312,bmse010130,1
18,covalent,SING,C6,H18,,,,,28312,bmse010130,1
1,covalent,SING,C1,C8,,,,,28332,bmse010131,1
2,covalent,SING,C2,C9,,,,,28332,bmse010131,1
3,covalent,SING,C3,O14,,,,,28332,bmse010131,1
4,covalent,SING,C4,O15,,,,,28332,bmse010131,1
5,covalent,DOUB,C5,C6,,,,,28332,bmse010131,1
6,covalent,SING,C5,C10,,,,,28332,bmse010131,1
7,covalent,SING,C6,C11,,,,,28332,bmse010131,1
8,covalent,DOUB,C7,C10,,,,,28332,bmse010131,1
9,covalent,SING,C7,C12,,,,,28332,bmse010131,1
10,covalent,SING,C8,C10,,,,,28332,bmse010131,1
11,covalent,SING,C8,O16,,,,,28332,bmse010131,1
12,covalent,DOUB,C9,O13,,,,,28332,bmse010131,1
13,covalent,SING,C9,O16,,,,,28332,bmse010131,1
14,covalent,DOUB,C11,C12,,,,,28332,bmse010131,1
15,covalent,SING,C11,O14,,,,,28332,bmse010131,1
16,covalent,SING,C12,O15,,,,,28332,bmse010131,1
17,covalent,SING,C1,H19,,,,,28332,bmse010131,1
18,covalent,SING,C1,H18,,,,,28332,bmse010131,1
19,covalent,SING,C1,H17,,,,,28332,bmse010131,1
20,covalent,SING,C2,H21,,,,,28332,bmse010131,1
21,covalent,SING,C2,H22,,,,,28332,bmse010131,1
22,covalent,SING,C2,H20,,,,,28332,bmse010131,1
23,covalent,SING,C3,H23,,,,,28332,bmse010131,1
24,covalent,SING,C3,H25,,,,,28332,bmse010131,1
25,covalent,SING,C3,H24,,,,,28332,bmse010131,1
26,covalent,SING,C4,H26,,,,,28332,bmse010131,1
27,covalent,SING,C4,H27,,,,,28332,bmse010131,1
28,covalent,SING,C4,H28,,,,,28332,bmse010131,1
29,covalent,SING,C5,H29,,,,,28332,bmse010131,1
30,covalent,SING,C6,H30,,,,,28332,bmse010131,1
31,covalent,SING,C7,H31,,,,,28332,bmse010131,1
32,covalent,SING,C8,H32,,,,,28332,bmse010131,1
1,covalent,SING,C1,C8,,,,,28352,bmse010132,1
2,covalent,SING,C2,O12,,,,,28352,bmse010132,1
3,covalent,SING,C3,C5,,,,,28352,bmse010132,1
4,covalent,DOUB,C3,C9,,,,,28352,bmse010132,1
5,covalent,DOUB,C4,C6,,,,,28352,bmse010132,1
6,covalent,SING,C4,C9,,,,,28352,bmse010132,1
7,covalent,DOUB,C5,C10,,,,,28352,bmse010132,1
8,covalent,SING,C6,C10,,,,,28352,bmse010132,1
9,covalent,SING,C7,C9,,,,,28352,bmse010132,1
10,covalent,SING,C7,O13,,,,,28352,bmse010132,1
11,covalent,DOUB,C8,O11,,,,,28352,bmse010132,1
12,covalent,SING,C8,O13,,,,,28352,bmse010132,1
13,covalent,SING,C10,O12,,,,,28352,bmse010132,1
14,covalent,SING,C1,H15,,,,,28352,bmse010132,1
15,covalent,SING,C1,H14,,,,,28352,bmse010132,1
16,covalent,SING,C1,H16,,,,,28352,bmse010132,1
17,covalent,SING,C2,H17,,,,,28352,bmse010132,1
18,covalent,SING,C2,H19,,,,,28352,bmse010132,1
19,covalent,SING,C2,H18,,,,,28352,bmse010132,1
20,covalent,SING,C3,H20,,,,,28352,bmse010132,1
21,covalent,SING,C4,H21,,,,,28352,bmse010132,1
22,covalent,SING,C5,H22,,,,,28352,bmse010132,1
23,covalent,SING,C6,H23,,,,,28352,bmse010132,1
24,covalent,SING,C7,H24,,,,,28352,bmse010132,1
25,covalent,SING,C7,H25,,,,,28352,bmse010132,1
1,covalent,SING,C1,C7,,,,,28372,bmse010133,1
2,covalent,SING,C2,O14,,,,,28372,bmse010133,1
3,covalent,SING,C3,O15,,,,,28372,bmse010133,1
4,covalent,DOUB,C4,C8,,,,,28372,bmse010133,1
5,covalent,SING,C4,C9,,,,,28372,bmse010133,1
6,covalent,SING,C5,C8,,,,,28372,bmse010133,1
7,covalent,DOUB,C5,C10,,,,,28372,bmse010133,1
8,covalent,SING,C6,C8,,,,,28372,bmse010133,1
9,covalent,DOUB,C6,O12,,,,,28372,bmse010133,1
10,covalent,DOUB,C7,O13,,,,,28372,bmse010133,1
11,covalent,SING,C7,O16,,,,,28372,bmse010133,1
12,covalent,DOUB,C9,C11,,,,,28372,bmse010133,1
13,covalent,SING,C9,O14,,,,,28372,bmse010133,1
14,covalent,SING,C10,C11,,,,,28372,bmse010133,1
15,covalent,SING,C10,O15,,,,,28372,bmse010133,1
16,covalent,SING,C11,O16,,,,,28372,bmse010133,1
17,covalent,SING,C1,H18,,,,,28372,bmse010133,1
18,covalent,SING,C1,H17,,,,,28372,bmse010133,1
19,covalent,SING,C1,H19,,,,,28372,bmse010133,1
20,covalent,SING,C2,H22,,,,,28372,bmse010133,1
21,covalent,SING,C2,H21,,,,,28372,bmse010133,1
22,covalent,SING,C2,H20,,,,,28372,bmse010133,1
23,covalent,SING,C3,H24,,,,,28372,bmse010133,1
24,covalent,SING,C3,H23,,,,,28372,bmse010133,1
25,covalent,SING,C3,H25,,,,,28372,bmse010133,1
26,covalent,SING,C4,H26,,,,,28372,bmse010133,1
27,covalent,SING,C5,H27,,,,,28372,bmse010133,1
28,covalent,SING,C6,H28,,,,,28372,bmse010133,1
1,covalent,SING,C1,C7,,,,,28392,bmse010134,1
2,covalent,SING,C2,C4,,,,,28392,bmse010134,1
3,covalent,DOUB,C2,C8,,,,,28392,bmse010134,1
4,covalent,DOUB,C3,C5,,,,,28392,bmse010134,1
5,covalent,SING,C3,C8,,,,,28392,bmse010134,1
6,covalent,DOUB,C4,C9,,,,,28392,bmse010134,1
7,covalent,SING,C5,C9,,,,,28392,bmse010134,1
8,covalent,SING,C6,C8,,,,,28392,bmse010134,1
9,covalent,DOUB,C6,O10,,,,,28392,bmse010134,1
10,covalent,DOUB,C7,O11,,,,,28392,bmse010134,1
11,covalent,SING,C7,O12,,,,,28392,bmse010134,1
12,covalent,SING,C9,O12,,,,,28392,bmse010134,1
13,covalent,SING,C1,H13,,,,,28392,bmse010134,1
14,covalent,SING,C1,H14,,,,,28392,bmse010134,1
15,covalent,SING,C1,H15,,,,,28392,bmse010134,1
16,covalent,SING,C2,H16,,,,,28392,bmse010134,1
17,covalent,SING,C3,H17,,,,,28392,bmse010134,1
18,covalent,SING,C4,H18,,,,,28392,bmse010134,1
19,covalent,SING,C5,H19,,,,,28392,bmse010134,1
20,covalent,SING,C6,H20,,,,,28392,bmse010134,1
1,covalent,SING,C1,C6,,,,,28412,bmse010135,1
2,covalent,SING,C2,C4,,,,,28412,bmse010135,1
3,covalent,DOUB,C2,C7,,,,,28412,bmse010135,1
4,covalent,DOUB,C3,C5,,,,,28412,bmse010135,1
5,covalent,SING,C3,C7,,,,,28412,bmse010135,1
6,covalent,DOUB,C4,C8,,,,,28412,bmse010135,1
7,covalent,SING,C5,C8,,,,,28412,bmse010135,1
8,covalent,DOUB,C6,O10,,,,,28412,bmse010135,1
9,covalent,SING,C6,O13,,,,,28412,bmse010135,1
10,covalent,SING,C7,C9,,,,,28412,bmse010135,1
11,covalent,SING,C8,O13,,,,,28412,bmse010135,1
12,covalent,SING,C9,O11,,,,,28412,bmse010135,1
13,covalent,DOUB,C9,O12,,,,,28412,bmse010135,1
14,covalent,SING,C1,H14,,,,,28412,bmse010135,1
15,covalent,SING,C1,H15,,,,,28412,bmse010135,1
16,covalent,SING,C1,H16,,,,,28412,bmse010135,1
17,covalent,SING,C2,H17,,,,,28412,bmse010135,1
18,covalent,SING,C3,H18,,,,,28412,bmse010135,1
19,covalent,SING,C4,H19,,,,,28412,bmse010135,1
20,covalent,SING,C5,H20,,,,,28412,bmse010135,1
21,covalent,SING,O11,H21,,,,,28412,bmse010135,1
1,covalent,SING,C1,C7,,,,,28432,bmse010136,1
2,covalent,SING,C2,O11,,,,,28432,bmse010136,1
3,covalent,SING,C3,C5,,,,,28432,bmse010136,1
4,covalent,DOUB,C3,C8,,,,,28432,bmse010136,1
5,covalent,DOUB,C4,C6,,,,,28432,bmse010136,1
6,covalent,SING,C4,C8,,,,,28432,bmse010136,1
7,covalent,DOUB,C5,C9,,,,,28432,bmse010136,1
8,covalent,SING,C6,C9,,,,,28432,bmse010136,1
9,covalent,SING,C7,C8,,,,,28432,bmse010136,1
10,covalent,SING,C7,O10,,,,,28432,bmse010136,1
11,covalent,SING,C9,O11,,,,,28432,bmse010136,1
12,covalent,SING,C1,H12,,,,,28432,bmse010136,1
13,covalent,SING,C1,H13,,,,,28432,bmse010136,1
14,covalent,SING,C1,H14,,,,,28432,bmse010136,1
15,covalent,SING,C2,H17,,,,,28432,bmse010136,1
16,covalent,SING,C2,H16,,,,,28432,bmse010136,1
17,covalent,SING,C2,H15,,,,,28432,bmse010136,1
18,covalent,SING,C3,H18,,,,,28432,bmse010136,1
19,covalent,SING,C4,H19,,,,,28432,bmse010136,1
20,covalent,SING,C5,H20,,,,,28432,bmse010136,1
21,covalent,SING,C6,H21,,,,,28432,bmse010136,1
22,covalent,SING,C7,H22,,,,,28432,bmse010136,1
23,covalent,SING,O10,H23,,,,,28432,bmse010136,1
1,covalent,SING,C1,C8,,,,,28452,bmse010137,1
2,covalent,SING,C2,C9,,,,,28452,bmse010137,1
3,covalent,SING,C3,O13,,,,,28452,bmse010137,1
4,covalent,SING,C4,C6,,,,,28452,bmse010137,1
5,covalent,DOUB,C4,C10,,,,,28452,bmse010137,1
6,covalent,DOUB,C5,C7,,,,,28452,bmse010137,1
7,covalent,SING,C5,C10,,,,,28452,bmse010137,1
8,covalent,DOUB,C6,C11,,,,,28452,bmse010137,1
9,covalent,SING,C7,C11,,,,,28452,bmse010137,1
10,covalent,SING,C8,C10,,,,,28452,bmse010137,1
11,covalent,SING,C8,O14,,,,,28452,bmse010137,1
12,covalent,DOUB,C9,O12,,,,,28452,bmse010137,1
13,covalent,SING,C9,O14,,,,,28452,bmse010137,1
14,covalent,SING,C11,O13,,,,,28452,bmse010137,1
15,covalent,SING,C1,H15,,,,,28452,bmse010137,1
16,covalent,SING,C1,H16,,,,,28452,bmse010137,1
17,covalent,SING,C1,H17,,,,,28452,bmse010137,1
18,covalent,SING,C2,H19,,,,,28452,bmse010137,1
19,covalent,SING,C2,H18,,,,,28452,bmse010137,1
20,covalent,SING,C2,H20,,,,,28452,bmse010137,1
21,covalent,SING,C3,H23,,,,,28452,bmse010137,1
22,covalent,SING,C3,H22,,,,,28452,bmse010137,1
23,covalent,SING,C3,H21,,,,,28452,bmse010137,1
24,covalent,SING,C4,H24,,,,,28452,bmse010137,1
25,covalent,SING,C5,H25,,,,,28452,bmse010137,1
26,covalent,SING,C6,H26,,,,,28452,bmse010137,1
27,covalent,SING,C7,H27,,,,,28452,bmse010137,1
28,covalent,SING,C8,H28,,,,,28452,bmse010137,1
1,covalent,SING,C1,C10,,,,,28472,bmse010138,1
2,covalent,SING,C2,C11,,,,,28472,bmse010138,1
3,covalent,SING,C3,O18,,,,,28472,bmse010138,1
4,covalent,SING,C4,O19,,,,,28472,bmse010138,1
5,covalent,DOUB,C5,C6,,,,,28472,bmse010138,1
6,covalent,SING,C5,C7,,,,,28472,bmse010138,1
7,covalent,SING,C6,C12,,,,,28472,bmse010138,1
8,covalent,SING,C7,O20,,,,,28472,bmse010138,1
9,covalent,DOUB,C8,C12,,,,,28472,bmse010138,1
10,covalent,SING,C8,C13,,,,,28472,bmse010138,1
11,covalent,SING,C9,C12,,,,,28472,bmse010138,1
12,covalent,DOUB,C9,C14,,,,,28472,bmse010138,1
13,covalent,DOUB,C10,O16,,,,,28472,bmse010138,1
14,covalent,SING,C10,O20,,,,,28472,bmse010138,1
15,covalent,DOUB,C11,O17,,,,,28472,bmse010138,1
16,covalent,SING,C11,O21,,,,,28472,bmse010138,1
17,covalent,DOUB,C13,C15,,,,,28472,bmse010138,1
18,covalent,SING,C13,O18,,,,,28472,bmse010138,1
19,covalent,SING,C14,C15,,,,,28472,bmse010138,1
20,covalent,SING,C14,O19,,,,,28472,bmse010138,1
21,covalent,SING,C15,O21,,,,,28472,bmse010138,1
22,covalent,SING,C1,H23,,,,,28472,bmse010138,1
23,covalent,SING,C1,H22,,,,,28472,bmse010138,1
24,covalent,SING,C1,H24,,,,,28472,bmse010138,1
25,covalent,SING,C2,H26,,,,,28472,bmse010138,1
26,covalent,SING,C2,H25,,,,,28472,bmse010138,1
27,covalent,SING,C2,H27,,,,,28472,bmse010138,1
28,covalent,SING,C3,H30,,,,,28472,bmse010138,1
29,covalent,SING,C3,H29,,,,,28472,bmse010138,1
30,covalent,SING,C3,H28,,,,,28472,bmse010138,1
31,covalent,SING,C4,H31,,,,,28472,bmse010138,1
32,covalent,SING,C4,H33,,,,,28472,bmse010138,1
33,covalent,SING,C4,H32,,,,,28472,bmse010138,1
34,covalent,SING,C5,H34,,,,,28472,bmse010138,1
35,covalent,SING,C6,H35,,,,,28472,bmse010138,1
36,covalent,SING,C7,H36,,,,,28472,bmse010138,1
37,covalent,SING,C7,H37,,,,,28472,bmse010138,1
38,covalent,SING,C8,H38,,,,,28472,bmse010138,1
39,covalent,SING,C9,H39,,,,,28472,bmse010138,1
1,covalent,SING,C1,O24,,,,,28492,bmse010139,1
2,covalent,SING,C2,O25,,,,,28492,bmse010139,1
3,covalent,SING,C3,O26,,,,,28492,bmse010139,1
4,covalent,DOUB,C4,C5,,,,,28492,bmse010139,1
5,covalent,SING,C4,C11,,,,,28492,bmse010139,1
6,covalent,SING,C5,C13,,,,,28492,bmse010139,1
7,covalent,DOUB,C6,C11,,,,,28492,bmse010139,1
8,covalent,SING,C6,C14,,,,,28492,bmse010139,1
9,covalent,DOUB,C7,C12,,,,,28492,bmse010139,1
10,covalent,SING,C7,C15,,,,,28492,bmse010139,1
11,covalent,SING,C8,C12,,,,,28492,bmse010139,1
12,covalent,DOUB,C8,C16,,,,,28492,bmse010139,1
13,covalent,SING,C9,C11,,,,,28492,bmse010139,1
14,covalent,SING,C9,O20,,,,,28492,bmse010139,1
15,covalent,SING,C10,C17,,,,,28492,bmse010139,1
16,covalent,SING,C10,O21,,,,,28492,bmse010139,1
17,covalent,SING,C12,C18,,,,,28492,bmse010139,1
18,covalent,DOUB,C13,C14,,,,,28492,bmse010139,1
19,covalent,SING,C13,O27,,,,,28492,bmse010139,1
20,covalent,SING,C14,O24,,,,,28492,bmse010139,1
21,covalent,DOUB,C15,C19,,,,,28492,bmse010139,1
22,covalent,SING,C15,O25,,,,,28492,bmse010139,1
23,covalent,SING,C16,C19,,,,,28492,bmse010139,1
24,covalent,SING,C16,O26,,,,,28492,bmse010139,1
25,covalent,SING,C17,C18,,,,,28492,bmse010139,1
26,covalent,SING,C17,O27,,,,,28492,bmse010139,1
27,covalent,SING,C18,O22,,,,,28492,bmse010139,1
28,covalent,SING,C19,O23,,,,,28492,bmse010139,1
29,covalent,SING,C1,H29,,,,,28492,bmse010139,1
30,covalent,SING,C1,H28,,,,,28492,bmse010139,1
31,covalent,SING,C1,H30,,,,,28492,bmse010139,1
32,covalent,SING,C2,H33,,,,,28492,bmse010139,1
33,covalent,SING,C2,H32,,,,,28492,bmse010139,1
34,covalent,SING,C2,H31,,,,,28492,bmse010139,1
35,covalent,SING,C3,H34,,,,,28492,bmse010139,1
36,covalent,SING,C3,H35,,,,,28492,bmse010139,1
37,covalent,SING,C3,H36,,,,,28492,bmse010139,1
38,covalent,SING,C4,H37,,,,,28492,bmse010139,1
39,covalent,SING,C5,H38,,,,,28492,bmse010139,1
40,covalent,SING,C6,H39,,,,,28492,bmse010139,1
41,covalent,SING,C7,H40,,,,,28492,bmse010139,1
42,covalent,SING,C8,H41,,,,,28492,bmse010139,1
43,covalent,SING,C9,H42,,,,,28492,bmse010139,1
44,covalent,SING,C9,H43,,,,,28492,bmse010139,1
45,covalent,SING,C10,H44,,,,,28492,bmse010139,1
46,covalent,SING,C10,H45,,,,,28492,bmse010139,1
47,covalent,SING,C17,H46,,,,,28492,bmse010139,1
48,covalent,SING,C18,H47,,,,,28492,bmse010139,1
49,covalent,SING,O20,H48,,,,,28492,bmse010139,1
50,covalent,SING,O21,H49,,,,,28492,bmse010139,1
51,covalent,SING,O22,H50,,,,,28492,bmse010139,1
52,covalent,SING,O23,H51,,,,,28492,bmse010139,1
1,covalent,SING,C1,C15,,,,,28512,bmse010140,1
2,covalent,SING,C2,C16,,,,,28512,bmse010140,1
3,covalent,SING,C3,C17,,,,,28512,bmse010140,1
4,covalent,SING,C4,C18,,,,,28512,bmse010140,1
5,covalent,SING,C5,O32,,,,,28512,bmse010140,1
6,covalent,SING,C6,O33,,,,,28512,bmse010140,1
7,covalent,SING,C7,O34,,,,,28512,bmse010140,1
8,covalent,DOUB,C8,C9,,,,,28512,bmse010140,1
9,covalent,SING,C8,C19,,,,,28512,bmse010140,1
10,covalent,SING,C9,C21,,,,,28512,bmse010140,1
11,covalent,DOUB,C10,C19,,,,,28512,bmse010140,1
12,covalent,SING,C10,C22,,,,,28512,bmse010140,1
13,covalent,DOUB,C11,C20,,,,,28512,bmse010140,1
14,covalent,SING,C11,C23,,,,,28512,bmse010140,1
15,covalent,SING,C12,C20,,,,,28512,bmse010140,1
16,covalent,DOUB,C12,C24,,,,,28512,bmse010140,1
17,covalent,SING,C13,C19,,,,,28512,bmse010140,1
18,covalent,SING,C13,O35,,,,,28512,bmse010140,1
19,covalent,SING,C14,C25,,,,,28512,bmse010140,1
20,covalent,SING,C14,O36,,,,,28512,bmse010140,1
21,covalent,DOUB,C15,O28,,,,,28512,bmse010140,1
22,covalent,SING,C15,O35,,,,,28512,bmse010140,1
23,covalent,DOUB,C16,O29,,,,,28512,bmse010140,1
24,covalent,SING,C16,O36,,,,,28512,bmse010140,1
25,covalent,DOUB,C17,O30,,,,,28512,bmse010140,1
26,covalent,SING,C17,O37,,,,,28512,bmse010140,1
27,covalent,DOUB,C18,O31,,,,,28512,bmse010140,1
28,covalent,SING,C18,O38,,,,,28512,bmse010140,1
29,covalent,SING,C20,C26,,,,,28512,bmse010140,1
30,covalent,DOUB,C21,C22,,,,,28512,bmse010140,1
31,covalent,SING,C21,O39,,,,,28512,bmse010140,1
32,covalent,SING,C22,O32,,,,,28512,bmse010140,1
33,covalent,DOUB,C23,C27,,,,,28512,bmse010140,1
34,covalent,SING,C23,O33,,,,,28512,bmse010140,1
35,covalent,SING,C24,C27,,,,,28512,bmse010140,1
36,covalent,SING,C24,O34,,,,,28512,bmse010140,1
37,covalent,SING,C25,C26,,,,,28512,bmse010140,1
38,covalent,SING,C25,O39,,,,,28512,bmse010140,1
39,covalent,SING,C26,O37,,,,,28512,bmse010140,1
40,covalent,SING,C27,O38,,,,,28512,bmse010140,1
41,covalent,SING,C1,H41,,,,,28512,bmse010140,1
42,covalent,SING,C1,H42,,,,,28512,bmse010140,1
43,covalent,SING,C1,H40,,,,,28512,bmse010140,1
44,covalent,SING,C2,H45,,,,,28512,bmse010140,1
45,covalent,SING,C2,H43,,,,,28512,bmse010140,1
46,covalent,SING,C2,H44,,,,,28512,bmse010140,1
47,covalent,SING,C3,H48,,,,,28512,bmse010140,1
48,covalent,SING,C3,H47,,,,,28512,bmse010140,1
49,covalent,SING,C3,H46,,,,,28512,bmse010140,1
50,covalent,SING,C4,H49,,,,,28512,bmse010140,1
51,covalent,SING,C4,H51,,,,,28512,bmse010140,1
52,covalent,SING,C4,H50,,,,,28512,bmse010140,1
53,covalent,SING,C5,H53,,,,,28512,bmse010140,1
54,covalent,SING,C5,H52,,,,,28512,bmse010140,1
55,covalent,SING,C5,H54,,,,,28512,bmse010140,1
56,covalent,SING,C6,H57,,,,,28512,bmse010140,1
57,covalent,SING,C6,H56,,,,,28512,bmse010140,1
58,covalent,SING,C6,H55,,,,,28512,bmse010140,1
59,covalent,SING,C7,H60,,,,,28512,bmse010140,1
60,covalent,SING,C7,H59,,,,,28512,bmse010140,1
61,covalent,SING,C7,H58,,,,,28512,bmse010140,1
62,covalent,SING,C8,H61,,,,,28512,bmse010140,1
63,covalent,SING,C9,H62,,,,,28512,bmse010140,1
64,covalent,SING,C10,H63,,,,,28512,bmse010140,1
65,covalent,SING,C11,H64,,,,,28512,bmse010140,1
66,covalent,SING,C12,H65,,,,,28512,bmse010140,1
67,covalent,SING,C13,H66,,,,,28512,bmse010140,1
68,covalent,SING,C13,H67,,,,,28512,bmse010140,1
69,covalent,SING,C14,H68,,,,,28512,bmse010140,1
70,covalent,SING,C14,H69,,,,,28512,bmse010140,1
71,covalent,SING,C25,H70,,,,,28512,bmse010140,1
72,covalent,SING,C26,H71,,,,,28512,bmse010140,1
1,covalent,SING,C1,C14,,,,,28532,bmse010141,1
2,covalent,SING,C2,C15,,,,,28532,bmse010141,1
3,covalent,SING,C3,C16,,,,,28532,bmse010141,1
4,covalent,SING,C4,O27,,,,,28532,bmse010141,1
5,covalent,SING,C5,O28,,,,,28532,bmse010141,1
6,covalent,DOUB,C6,C7,,,,,28532,bmse010141,1
7,covalent,SING,C6,C8,,,,,28532,bmse010141,1
8,covalent,SING,C7,C9,,,,,28532,bmse010141,1
9,covalent,DOUB,C8,C18,,,,,28532,bmse010141,1
10,covalent,DOUB,C9,C19,,,,,28532,bmse010141,1
11,covalent,DOUB,C10,C11,,,,,28532,bmse010141,1
12,covalent,SING,C10,C17,,,,,28532,bmse010141,1
13,covalent,SING,C11,C20,,,,,28532,bmse010141,1
14,covalent,DOUB,C12,C17,,,,,28532,bmse010141,1
15,covalent,SING,C12,C21,,,,,28532,bmse010141,1
16,covalent,SING,C13,C22,,,,,28532,bmse010141,1
17,covalent,SING,C13,O29,,,,,28532,bmse010141,1
18,covalent,DOUB,C14,O24,,,,,28532,bmse010141,1
19,covalent,SING,C14,O29,,,,,28532,bmse010141,1
20,covalent,DOUB,C15,O25,,,,,28532,bmse010141,1
21,covalent,SING,C15,O30,,,,,28532,bmse010141,1
22,covalent,DOUB,C16,O26,,,,,28532,bmse010141,1
23,covalent,SING,C16,O31,,,,,28532,bmse010141,1
24,covalent,SING,C17,C23,,,,,28532,bmse010141,1
25,covalent,SING,C18,C19,,,,,28532,bmse010141,1
26,covalent,SING,C18,O27,,,,,28532,bmse010141,1
27,covalent,SING,C19,O32,,,,,28532,bmse010141,1
28,covalent,DOUB,C20,C21,,,,,28532,bmse010141,1
29,covalent,SING,C20,O30,,,,,28532,bmse010141,1
30,covalent,SING,C21,O28,,,,,28532,bmse010141,1
31,covalent,SING,C22,C23,,,,,28532,bmse010141,1
32,covalent,SING,C22,O32,,,,,28532,bmse010141,1
33,covalent,SING,C23,O31,,,,,28532,bmse010141,1
34,covalent,SING,C1,H33,,,,,28532,bmse010141,1
35,covalent,SING,C1,H34,,,,,28532,bmse010141,1
36,covalent,SING,C1,H35,,,,,28532,bmse010141,1
37,covalent,SING,C2,H38,,,,,28532,bmse010141,1
38,covalent,SING,C2,H37,,,,,28532,bmse010141,1
39,covalent,SING,C2,H36,,,,,28532,bmse010141,1
40,covalent,SING,C3,H39,,,,,28532,bmse010141,1
41,covalent,SING,C3,H40,,,,,28532,bmse010141,1
42,covalent,SING,C3,H41,,,,,28532,bmse010141,1
43,covalent,SING,C4,H43,,,,,28532,bmse010141,1
44,covalent,SING,C4,H42,,,,,28532,bmse010141,1
45,covalent,SING,C4,H44,,,,,28532,bmse010141,1
46,covalent,SING,C5,H47,,,,,28532,bmse010141,1
47,covalent,SING,C5,H46,,,,,28532,bmse010141,1
48,covalent,SING,C5,H45,,,,,28532,bmse010141,1
49,covalent,SING,C6,H48,,,,,28532,bmse010141,1
50,covalent,SING,C7,H49,,,,,28532,bmse010141,1
51,covalent,SING,C8,H50,,,,,28532,bmse010141,1
52,covalent,SING,C9,H51,,,,,28532,bmse010141,1
53,covalent,SING,C10,H52,,,,,28532,bmse010141,1
54,covalent,SING,C11,H53,,,,,28532,bmse010141,1
55,covalent,SING,C12,H54,,,,,28532,bmse010141,1
56,covalent,SING,C13,H55,,,,,28532,bmse010141,1
57,covalent,SING,C13,H56,,,,,28532,bmse010141,1
58,covalent,SING,C22,H57,,,,,28532,bmse010141,1
59,covalent,SING,C23,H58,,,,,28532,bmse010141,1
1,covalent,SING,C1,O12,,,,,28552,bmse010142,1
2,covalent,DOUB,C2,C3,,,,,28552,bmse010142,1
3,covalent,SING,C2,C8,,,,,28552,bmse010142,1
4,covalent,SING,C3,C9,,,,,28552,bmse010142,1
5,covalent,SING,C4,C6,,,,,28552,bmse010142,1
6,covalent,DOUB,C4,C9,,,,,28552,bmse010142,1
7,covalent,DOUB,C5,C7,,,,,28552,bmse010142,1
8,covalent,SING,C5,C9,,,,,28552,bmse010142,1
9,covalent,DOUB,C6,C10,,,,,28552,bmse010142,1
10,covalent,SING,C7,C10,,,,,28552,bmse010142,1
11,covalent,DOUB,C8,O11,,,,,28552,bmse010142,1
12,covalent,SING,C10,O12,,,,,28552,bmse010142,1
13,covalent,SING,C1,H15,,,,,28552,bmse010142,1
14,covalent,SING,C1,H14,,,,,28552,bmse010142,1
15,covalent,SING,C1,H13,,,,,28552,bmse010142,1
16,covalent,SING,C2,H16,,,,,28552,bmse010142,1
17,covalent,SING,C3,H17,,,,,28552,bmse010142,1
18,covalent,SING,C4,H18,,,,,28552,bmse010142,1
19,covalent,SING,C5,H19,,,,,28552,bmse010142,1
20,covalent,SING,C6,H20,,,,,28552,bmse010142,1
21,covalent,SING,C7,H21,,,,,28552,bmse010142,1
22,covalent,SING,C8,H22,,,,,28552,bmse010142,1
1,covalent,SING,C1,C22,,,,,28572,bmse010143,1
2,covalent,SING,C2,C23,,,,,28572,bmse010143,1
3,covalent,SING,C3,C24,,,,,28572,bmse010143,1
4,covalent,SING,C4,C25,,,,,28572,bmse010143,1
5,covalent,SING,C5,C26,,,,,28572,bmse010143,1
6,covalent,SING,C6,O46,,,,,28572,bmse010143,1
7,covalent,SING,C7,O47,,,,,28572,bmse010143,1
8,covalent,SING,C8,O48,,,,,28572,bmse010143,1
9,covalent,DOUB,C9,C10,,,,,28572,bmse010143,1
10,covalent,SING,C9,C15,,,,,28572,bmse010143,1
11,covalent,SING,C10,C27,,,,,28572,bmse010143,1
12,covalent,DOUB,C11,C14,,,,,28572,bmse010143,1
13,covalent,SING,C11,C28,,,,,28572,bmse010143,1
14,covalent,DOUB,C12,C13,,,,,28572,bmse010143,1
15,covalent,SING,C12,C29,,,,,28572,bmse010143,1
16,covalent,SING,C13,C32,,,,,28572,bmse010143,1
17,covalent,SING,C14,C33,,,,,28572,bmse010143,1
18,covalent,SING,C15,O49,,,,,28572,bmse010143,1
19,covalent,DOUB,C16,C27,,,,,28572,bmse010143,1
20,covalent,SING,C16,C30,,,,,28572,bmse010143,1
21,covalent,SING,C17,C27,,,,,28572,bmse010143,1
22,covalent,DOUB,C17,C36,,,,,28572,bmse010143,1
23,covalent,DOUB,C18,C28,,,,,28572,bmse010143,1
24,covalent,SING,C18,C35,,,,,28572,bmse010143,1
25,covalent,DOUB,C19,C29,,,,,28572,bmse010143,1
26,covalent,SING,C19,C34,,,,,28572,bmse010143,1
27,covalent,SING,C20,C31,,,,,28572,bmse010143,1
28,covalent,SING,C20,O50,,,,,28572,bmse010143,1
29,covalent,SING,C21,C37,,,,,28572,bmse010143,1
30,covalent,SING,C21,O51,,,,,28572,bmse010143,1
31,covalent,DOUB,C22,O41,,,,,28572,bmse010143,1
32,covalent,SING,C22,O49,,,,,28572,bmse010143,1
33,covalent,DOUB,C23,O42,,,,,28572,bmse010143,1
34,covalent,SING,C23,O50,,,,,28572,bmse010143,1
35,covalent,DOUB,C24,O43,,,,,28572,bmse010143,1
36,covalent,SING,C24,O51,,,,,28572,bmse010143,1
37,covalent,DOUB,C25,O44,,,,,28572,bmse010143,1
38,covalent,SING,C25,O52,,,,,28572,bmse010143,1
39,covalent,DOUB,C26,O45,,,,,28572,bmse010143,1
40,covalent,SING,C26,O53,,,,,28572,bmse010143,1
41,covalent,SING,C28,C38,,,,,28572,bmse010143,1
42,covalent,SING,C29,C39,,,,,28572,bmse010143,1
43,covalent,SING,C30,C31,,,,,28572,bmse010143,1
44,covalent,DOUB,C30,C40,,,,,28572,bmse010143,1
45,covalent,SING,C31,C38,,,,,28572,bmse010143,1
46,covalent,DOUB,C32,C34,,,,,28572,bmse010143,1
47,covalent,SING,C32,O52,,,,,28572,bmse010143,1
48,covalent,DOUB,C33,C35,,,,,28572,bmse010143,1
49,covalent,SING,C33,O54,,,,,28572,bmse010143,1
50,covalent,SING,C34,O46,,,,,28572,bmse010143,1
51,covalent,SING,C35,O47,,,,,28572,bmse010143,1
52,covalent,SING,C36,C40,,,,,28572,bmse010143,1
53,covalent,SING,C36,O48,,,,,28572,bmse010143,1
54,covalent,SING,C37,C39,,,,,28572,bmse010143,1
55,covalent,SING,C37,O54,,,,,28572,bmse010143,1
56,covalent,SING,C38,O55,,,,,28572,bmse010143,1
57,covalent,SING,C39,O53,,,,,28572,bmse010143,1
58,covalent,SING,C40,O55,,,,,28572,bmse010143,1
59,covalent,SING,C1,H56,,,,,28572,bmse010143,1
60,covalent,SING,C1,H57,,,,,28572,bmse010143,1
61,covalent,SING,C1,H58,,,,,28572,bmse010143,1
62,covalent,SING,C2,H59,,,,,28572,bmse010143,1
63,covalent,SING,C2,H60,,,,,28572,bmse010143,1
64,covalent,SING,C2,H61,,,,,28572,bmse010143,1
65,covalent,SING,C3,H62,,,,,28572,bmse010143,1
66,covalent,SING,C3,H63,,,,,28572,bmse010143,1
67,covalent,SING,C3,H64,,,,,28572,bmse010143,1
68,covalent,SING,C4,H65,,,,,28572,bmse010143,1
69,covalent,SING,C4,H66,,,,,28572,bmse010143,1
70,covalent,SING,C4,H67,,,,,28572,bmse010143,1
71,covalent,SING,C5,H68,,,,,28572,bmse010143,1
72,covalent,SING,C5,H69,,,,,28572,bmse010143,1
73,covalent,SING,C5,H70,,,,,28572,bmse010143,1
74,covalent,SING,C6,H71,,,,,28572,bmse010143,1
75,covalent,SING,C6,H72,,,,,28572,bmse010143,1
76,covalent,SING,C6,H73,,,,,28572,bmse010143,1
77,covalent,SING,C7,H74,,,,,28572,bmse010143,1
78,covalent,SING,C7,H75,,,,,28572,bmse010143,1
79,covalent,SING,C7,H76,,,,,28572,bmse010143,1
80,covalent,SING,C8,H77,,,,,28572,bmse010143,1
81,covalent,SING,C8,H78,,,,,28572,bmse010143,1
82,covalent,SING,C8,H79,,,,,28572,bmse010143,1
83,covalent,SING,C9,H80,,,,,28572,bmse010143,1
84,covalent,SING,C10,H81,,,,,28572,bmse010143,1
85,covalent,SING,C11,H82,,,,,28572,bmse010143,1
86,covalent,SING,C12,H83,,,,,28572,bmse010143,1
87,covalent,SING,C13,H84,,,,,28572,bmse010143,1
88,covalent,SING,C14,H85,,,,,28572,bmse010143,1
89,covalent,SING,C15,H86,,,,,28572,bmse010143,1
90,covalent,SING,C15,H87,,,,,28572,bmse010143,1
91,covalent,SING,C16,H88,,,,,28572,bmse010143,1
92,covalent,SING,C17,H89,,,,,28572,bmse010143,1
93,covalent,SING,C18,H90,,,,,28572,bmse010143,1
94,covalent,SING,C19,H91,,,,,28572,bmse010143,1
95,covalent,SING,C20,H92,,,,,28572,bmse010143,1
96,covalent,SING,C20,H93,,,,,28572,bmse010143,1
97,covalent,SING,C21,H94,,,,,28572,bmse010143,1
98,covalent,SING,C21,H95,,,,,28572,bmse010143,1
99,covalent,SING,C31,H96,,,,,28572,bmse010143,1
100,covalent,SING,C37,H97,,,,,28572,bmse010143,1
101,covalent,SING,C38,H98,,,,,28572,bmse010143,1
102,covalent,SING,C39,H99,,,,,28572,bmse010143,1
1,covalent,SING,C1,O21,,,,,28592,bmse010144,1
2,covalent,SING,C2,O22,,,,,28592,bmse010144,1
3,covalent,SING,C3,O23,,,,,28592,bmse010144,1
4,covalent,DOUB,C4,C5,,,,,28592,bmse010144,1
5,covalent,SING,C4,C6,,,,,28592,bmse010144,1
6,covalent,SING,C5,C15,,,,,28592,bmse010144,1
7,covalent,DOUB,C6,C16,,,,,28592,bmse010144,1
8,covalent,DOUB,C7,C8,,,,,28592,bmse010144,1
9,covalent,SING,C7,C12,,,,,28592,bmse010144,1
10,covalent,SING,C8,C14,,,,,28592,bmse010144,1
11,covalent,SING,C9,C12,,,,,28592,bmse010144,1
12,covalent,SING,C9,C13,,,,,28592,bmse010144,1
13,covalent,DOUB,C10,C12,,,,,28592,bmse010144,1
14,covalent,SING,C10,C17,,,,,28592,bmse010144,1
15,covalent,SING,C11,C13,,,,,28592,bmse010144,1
16,covalent,SING,C11,O19,,,,,28592,bmse010144,1
17,covalent,SING,C13,O24,,,,,28592,bmse010144,1
18,covalent,DOUB,C14,C17,,,,,28592,bmse010144,1
19,covalent,SING,C14,O20,,,,,28592,bmse010144,1
20,covalent,DOUB,C15,C18,,,,,28592,bmse010144,1
21,covalent,SING,C15,O21,,,,,28592,bmse010144,1
22,covalent,SING,C16,C18,,,,,28592,bmse010144,1
23,covalent,SING,C16,O22,,,,,28592,bmse010144,1
24,covalent,SING,C17,O23,,,,,28592,bmse010144,1
25,covalent,SING,C18,O24,,,,,28592,bmse010144,1
26,covalent,SING,C1,H25,,,,,28592,bmse010144,1
27,covalent,SING,C1,H27,,,,,28592,bmse010144,1
28,covalent,SING,C1,H26,,,,,28592,bmse010144,1
29,covalent,SING,C2,H29,,,,,28592,bmse010144,1
30,covalent,SING,C2,H28,,,,,28592,bmse010144,1
31,covalent,SING,C2,H30,,,,,28592,bmse010144,1
32,covalent,SING,C3,H31,,,,,28592,bmse010144,1
33,covalent,SING,C3,H32,,,,,28592,bmse010144,1
34,covalent,SING,C3,H33,,,,,28592,bmse010144,1
35,covalent,SING,C4,H34,,,,,28592,bmse010144,1
36,covalent,SING,C5,H35,,,,,28592,bmse010144,1
37,covalent,SING,C6,H36,,,,,28592,bmse010144,1
38,covalent,SING,C7,H37,,,,,28592,bmse010144,1
39,covalent,SING,C8,H38,,,,,28592,bmse010144,1
40,covalent,SING,C9,H39,,,,,28592,bmse010144,1
41,covalent,SING,C9,H40,,,,,28592,bmse010144,1
42,covalent,SING,C10,H41,,,,,28592,bmse010144,1
43,covalent,SING,C11,H42,,,,,28592,bmse010144,1
44,covalent,SING,C11,H43,,,,,28592,bmse010144,1
45,covalent,SING,C13,H44,,,,,28592,bmse010144,1
46,covalent,SING,O19,H45,,,,,28592,bmse010144,1
47,covalent,SING,O20,H46,,,,,28592,bmse010144,1
1,covalent,SING,C1,C14,,,,,28612,bmse010145,1
2,covalent,SING,C2,C15,,,,,28612,bmse010145,1
3,covalent,SING,C3,O25,,,,,28612,bmse010145,1
4,covalent,SING,C4,O26,,,,,28612,bmse010145,1
5,covalent,SING,C5,O27,,,,,28612,bmse010145,1
6,covalent,DOUB,C6,C7,,,,,28612,bmse010145,1
7,covalent,SING,C6,C8,,,,,28612,bmse010145,1
8,covalent,SING,C7,C19,,,,,28612,bmse010145,1
9,covalent,DOUB,C8,C20,,,,,28612,bmse010145,1
10,covalent,DOUB,C9,C10,,,,,28612,bmse010145,1
11,covalent,SING,C9,C16,,,,,28612,bmse010145,1
12,covalent,SING,C10,C18,,,,,28612,bmse010145,1
13,covalent,SING,C11,C16,,,,,28612,bmse010145,1
14,covalent,SING,C11,C17,,,,,28612,bmse010145,1
15,covalent,DOUB,C12,C16,,,,,28612,bmse010145,1
16,covalent,SING,C12,C21,,,,,28612,bmse010145,1
17,covalent,SING,C13,C17,,,,,28612,bmse010145,1
18,covalent,SING,C13,O28,,,,,28612,bmse010145,1
19,covalent,DOUB,C14,O23,,,,,28612,bmse010145,1
20,covalent,SING,C14,O28,,,,,28612,bmse010145,1
21,covalent,DOUB,C15,O24,,,,,28612,bmse010145,1
22,covalent,SING,C15,O29,,,,,28612,bmse010145,1
23,covalent,SING,C17,O30,,,,,28612,bmse010145,1
24,covalent,DOUB,C18,C21,,,,,28612,bmse010145,1
25,covalent,SING,C18,O29,,,,,28612,bmse010145,1
26,covalent,DOUB,C19,C22,,,,,28612,bmse010145,1
27,covalent,SING,C19,O25,,,,,28612,bmse010145,1
28,covalent,SING,C20,C22,,,,,28612,bmse010145,1
29,covalent,SING,C20,O26,,,,,28612,bmse010145,1
30,covalent,SING,C21,O27,,,,,28612,bmse010145,1
31,covalent,SING,C22,O30,,,,,28612,bmse010145,1
32,covalent,SING,C1,H31,,,,,28612,bmse010145,1
33,covalent,SING,C1,H32,,,,,28612,bmse010145,1
34,covalent,SING,C1,H33,,,,,28612,bmse010145,1
35,covalent,SING,C2,H36,,,,,28612,bmse010145,1
36,covalent,SING,C2,H35,,,,,28612,bmse010145,1
37,covalent,SING,C2,H34,,,,,28612,bmse010145,1
38,covalent,SING,C3,H37,,,,,28612,bmse010145,1
39,covalent,SING,C3,H39,,,,,28612,bmse010145,1
40,covalent,SING,C3,H38,,,,,28612,bmse010145,1
41,covalent,SING,C4,H41,,,,,28612,bmse010145,1
42,covalent,SING,C4,H40,,,,,28612,bmse010145,1
43,covalent,SING,C4,H42,,,,,28612,bmse010145,1
44,covalent,SING,C5,H45,,,,,28612,bmse010145,1
45,covalent,SING,C5,H44,,,,,28612,bmse010145,1
46,covalent,SING,C5,H43,,,,,28612,bmse010145,1
47,covalent,SING,C6,H46,,,,,28612,bmse010145,1
48,covalent,SING,C7,H47,,,,,28612,bmse010145,1
49,covalent,SING,C8,H48,,,,,28612,bmse010145,1
50,covalent,SING,C9,H49,,,,,28612,bmse010145,1
51,covalent,SING,C10,H50,,,,,28612,bmse010145,1
52,covalent,SING,C11,H51,,,,,28612,bmse010145,1
53,covalent,SING,C11,H52,,,,,28612,bmse010145,1
54,covalent,SING,C12,H53,,,,,28612,bmse010145,1
55,covalent,SING,C13,H54,,,,,28612,bmse010145,1
56,covalent,SING,C13,H55,,,,,28612,bmse010145,1
57,covalent,SING,C17,H56,,,,,28612,bmse010145,1
1,covalent,SING,C1,O12,,,,,28632,bmse010146,1
2,covalent,DOUB,C2,C3,,,,,28632,bmse010146,1
3,covalent,SING,C2,C8,,,,,28632,bmse010146,1
4,covalent,SING,C3,C9,,,,,28632,bmse010146,1
5,covalent,SING,C4,C6,,,,,28632,bmse010146,1
6,covalent,DOUB,C4,C9,,,,,28632,bmse010146,1
7,covalent,DOUB,C5,C7,,,,,28632,bmse010146,1
8,covalent,SING,C5,C9,,,,,28632,bmse010146,1
9,covalent,DOUB,C6,C10,,,,,28632,bmse010146,1
10,covalent,SING,C7,C10,,,,,28632,bmse010146,1
11,covalent,SING,C8,O11,,,,,28632,bmse010146,1
12,covalent,SING,C10,O12,,,,,28632,bmse010146,1
13,covalent,SING,C1,H15,,,,,28632,bmse010146,1
14,covalent,SING,C1,H14,,,,,28632,bmse010146,1
15,covalent,SING,C1,H13,,,,,28632,bmse010146,1
16,covalent,SING,C2,H16,,,,,28632,bmse010146,1
17,covalent,SING,C3,H17,,,,,28632,bmse010146,1
18,covalent,SING,C4,H18,,,,,28632,bmse010146,1
19,covalent,SING,C5,H19,,,,,28632,bmse010146,1
20,covalent,SING,C6,H20,,,,,28632,bmse010146,1
21,covalent,SING,C7,H21,,,,,28632,bmse010146,1
22,covalent,SING,C8,H22,,,,,28632,bmse010146,1
23,covalent,SING,C8,H23,,,,,28632,bmse010146,1
24,covalent,SING,O11,H24,,,,,28632,bmse010146,1
1,covalent,SING,C1,C10,,,,,28652,bmse010147,1
2,covalent,SING,C2,O14,,,,,28652,bmse010147,1
3,covalent,DOUB,C3,C4,,,,,28652,bmse010147,1
4,covalent,SING,C3,C9,,,,,28652,bmse010147,1
5,covalent,SING,C4,C11,,,,,28652,bmse010147,1
6,covalent,SING,C5,C7,,,,,28652,bmse010147,1
7,covalent,DOUB,C5,C11,,,,,28652,bmse010147,1
8,covalent,DOUB,C6,C8,,,,,28652,bmse010147,1
9,covalent,SING,C6,C11,,,,,28652,bmse010147,1
10,covalent,DOUB,C7,C12,,,,,28652,bmse010147,1
11,covalent,SING,C8,C12,,,,,28652,bmse010147,1
12,covalent,SING,C9,O15,,,,,28652,bmse010147,1
13,covalent,DOUB,C10,O13,,,,,28652,bmse010147,1
14,covalent,SING,C10,O15,,,,,28652,bmse010147,1
15,covalent,SING,C12,O14,,,,,28652,bmse010147,1
16,covalent,SING,C1,H16,,,,,28652,bmse010147,1
17,covalent,SING,C1,H17,,,,,28652,bmse010147,1
18,covalent,SING,C1,H18,,,,,28652,bmse010147,1
19,covalent,SING,C2,H21,,,,,28652,bmse010147,1
20,covalent,SING,C2,H20,,,,,28652,bmse010147,1
21,covalent,SING,C2,H19,,,,,28652,bmse010147,1
22,covalent,SING,C3,H22,,,,,28652,bmse010147,1
23,covalent,SING,C4,H23,,,,,28652,bmse010147,1
24,covalent,SING,C5,H24,,,,,28652,bmse010147,1
25,covalent,SING,C6,H25,,,,,28652,bmse010147,1
26,covalent,SING,C7,H26,,,,,28652,bmse010147,1
27,covalent,SING,C8,H27,,,,,28652,bmse010147,1
28,covalent,SING,C9,H28,,,,,28652,bmse010147,1
29,covalent,SING,C9,H29,,,,,28652,bmse010147,1
1,covalent,SING,C1,C15,,,,,28672,bmse010148,1
2,covalent,SING,C2,C16,,,,,28672,bmse010148,1
3,covalent,SING,C3,O28,,,,,28672,bmse010148,1
4,covalent,SING,C4,O29,,,,,28672,bmse010148,1
5,covalent,SING,C5,O30,,,,,28672,bmse010148,1
6,covalent,DOUB,C6,C7,,,,,28672,bmse010148,1
7,covalent,SING,C6,C10,,,,,28672,bmse010148,1
8,covalent,SING,C7,C17,,,,,28672,bmse010148,1
9,covalent,DOUB,C8,C9,,,,,28672,bmse010148,1
10,covalent,SING,C8,C18,,,,,28672,bmse010148,1
11,covalent,SING,C9,C21,,,,,28672,bmse010148,1
12,covalent,SING,C10,O31,,,,,28672,bmse010148,1
13,covalent,DOUB,C11,C17,,,,,28672,bmse010148,1
14,covalent,SING,C11,C19,,,,,28672,bmse010148,1
15,covalent,SING,C12,C17,,,,,28672,bmse010148,1
16,covalent,DOUB,C12,C23,,,,,28672,bmse010148,1
17,covalent,DOUB,C13,C18,,,,,28672,bmse010148,1
18,covalent,SING,C13,C22,,,,,28672,bmse010148,1
19,covalent,SING,C14,C20,,,,,28672,bmse010148,1
20,covalent,SING,C14,O32,,,,,28672,bmse010148,1
21,covalent,DOUB,C15,O26,,,,,28672,bmse010148,1
22,covalent,SING,C15,O31,,,,,28672,bmse010148,1
23,covalent,DOUB,C16,O27,,,,,28672,bmse010148,1
24,covalent,SING,C16,O32,,,,,28672,bmse010148,1
25,covalent,SING,C18,C24,,,,,28672,bmse010148,1
26,covalent,SING,C19,C20,,,,,28672,bmse010148,1
27,covalent,DOUB,C19,C25,,,,,28672,bmse010148,1
28,covalent,SING,C20,C24,,,,,28672,bmse010148,1
29,covalent,DOUB,C21,C22,,,,,28672,bmse010148,1
30,covalent,SING,C21,O28,,,,,28672,bmse010148,1
31,covalent,SING,C22,O29,,,,,28672,bmse010148,1
32,covalent,SING,C23,C25,,,,,28672,bmse010148,1
33,covalent,SING,C23,O30,,,,,28672,bmse010148,1
34,covalent,SING,C24,O33,,,,,28672,bmse010148,1
35,covalent,SING,C25,O33,,,,,28672,bmse010148,1
36,covalent,SING,C1,H34,,,,,28672,bmse010148,1
37,covalent,SING,C1,H35,,,,,28672,bmse010148,1
38,covalent,SING,C1,H36,,,,,28672,bmse010148,1
39,covalent,SING,C2,H38,,,,,28672,bmse010148,1
40,covalent,SING,C2,H39,,,,,28672,bmse010148,1
41,covalent,SING,C2,H37,,,,,28672,bmse010148,1
42,covalent,SING,C3,H42,,,,,28672,bmse010148,1
43,covalent,SING,C3,H41,,,,,28672,bmse010148,1
44,covalent,SING,C3,H40,,,,,28672,bmse010148,1
45,covalent,SING,C4,H45,,,,,28672,bmse010148,1
46,covalent,SING,C4,H44,,,,,28672,bmse010148,1
47,covalent,SING,C4,H43,,,,,28672,bmse010148,1
48,covalent,SING,C5,H46,,,,,28672,bmse010148,1
49,covalent,SING,C5,H47,,,,,28672,bmse010148,1
50,covalent,SING,C5,H48,,,,,28672,bmse010148,1
51,covalent,SING,C6,H49,,,,,28672,bmse010148,1
52,covalent,SING,C7,H50,,,,,28672,bmse010148,1
53,covalent,SING,C8,H51,,,,,28672,bmse010148,1
54,covalent,SING,C9,H52,,,,,28672,bmse010148,1
55,covalent,SING,C10,H53,,,,,28672,bmse010148,1
56,covalent,SING,C10,H54,,,,,28672,bmse010148,1
57,covalent,SING,C11,H55,,,,,28672,bmse010148,1
58,covalent,SING,C12,H56,,,,,28672,bmse010148,1
59,covalent,SING,C13,H57,,,,,28672,bmse010148,1
60,covalent,SING,C14,H58,,,,,28672,bmse010148,1
61,covalent,SING,C14,H59,,,,,28672,bmse010148,1
62,covalent,SING,C20,H60,,,,,28672,bmse010148,1
63,covalent,SING,C24,H61,,,,,28672,bmse010148,1
1,covalent,SING,C1,C10,,,,,28692,bmse010149,1
2,covalent,SING,C2,C11,,,,,28692,bmse010149,1
3,covalent,DOUB,C3,C4,,,,,28692,bmse010149,1
4,covalent,SING,C3,C9,,,,,28692,bmse010149,1
5,covalent,SING,C4,C12,,,,,28692,bmse010149,1
6,covalent,SING,C5,C7,,,,,28692,bmse010149,1
7,covalent,DOUB,C5,C12,,,,,28692,bmse010149,1
8,covalent,DOUB,C6,C8,,,,,28692,bmse010149,1
9,covalent,SING,C6,C12,,,,,28692,bmse010149,1
10,covalent,DOUB,C7,C13,,,,,28692,bmse010149,1
11,covalent,SING,C8,C13,,,,,28692,bmse010149,1
12,covalent,SING,C9,O16,,,,,28692,bmse010149,1
13,covalent,DOUB,C10,O14,,,,,28692,bmse010149,1
14,covalent,SING,C10,O16,,,,,28692,bmse010149,1
15,covalent,DOUB,C11,O15,,,,,28692,bmse010149,1
16,covalent,SING,C11,O17,,,,,28692,bmse010149,1
17,covalent,SING,C13,O17,,,,,28692,bmse010149,1
18,covalent,SING,C1,H18,,,,,28692,bmse010149,1
19,covalent,SING,C1,H19,,,,,28692,bmse010149,1
20,covalent,SING,C1,H20,,,,,28692,bmse010149,1
21,covalent,SING,C2,H21,,,,,28692,bmse010149,1
22,covalent,SING,C2,H22,,,,,28692,bmse010149,1
23,covalent,SING,C2,H23,,,,,28692,bmse010149,1
24,covalent,SING,C3,H24,,,,,28692,bmse010149,1
25,covalent,SING,C4,H25,,,,,28692,bmse010149,1
26,covalent,SING,C5,H26,,,,,28692,bmse010149,1
27,covalent,SING,C6,H27,,,,,28692,bmse010149,1
28,covalent,SING,C7,H28,,,,,28692,bmse010149,1
29,covalent,SING,C8,H29,,,,,28692,bmse010149,1
30,covalent,SING,C9,H30,,,,,28692,bmse010149,1
31,covalent,SING,C9,H31,,,,,28692,bmse010149,1
1,covalent,SING,C1,C9,,,,,28712,bmse010150,1
2,covalent,DOUB,C2,C3,,,,,28712,bmse010150,1
3,covalent,SING,C2,C8,,,,,28712,bmse010150,1
4,covalent,SING,C3,C10,,,,,28712,bmse010150,1
5,covalent,SING,C4,C6,,,,,28712,bmse010150,1
6,covalent,DOUB,C4,C10,,,,,28712,bmse010150,1
7,covalent,DOUB,C5,C7,,,,,28712,bmse010150,1
8,covalent,SING,C5,C10,,,,,28712,bmse010150,1
9,covalent,DOUB,C6,C11,,,,,28712,bmse010150,1
10,covalent,SING,C7,C11,,,,,28712,bmse010150,1
11,covalent,DOUB,C8,O12,,,,,28712,bmse010150,1
12,covalent,DOUB,C9,O13,,,,,28712,bmse010150,1
13,covalent,SING,C9,O14,,,,,28712,bmse010150,1
14,covalent,SING,C11,O14,,,,,28712,bmse010150,1
15,covalent,SING,C1,H15,,,,,28712,bmse010150,1
16,covalent,SING,C1,H16,,,,,28712,bmse010150,1
17,covalent,SING,C1,H17,,,,,28712,bmse010150,1
18,covalent,SING,C2,H18,,,,,28712,bmse010150,1
19,covalent,SING,C3,H19,,,,,28712,bmse010150,1
20,covalent,SING,C4,H20,,,,,28712,bmse010150,1
21,covalent,SING,C5,H21,,,,,28712,bmse010150,1
22,covalent,SING,C6,H22,,,,,28712,bmse010150,1
23,covalent,SING,C7,H23,,,,,28712,bmse010150,1
24,covalent,SING,C8,H24,,,,,28712,bmse010150,1
1,covalent,SING,C1,C25,,,,,28732,bmse010151,1
2,covalent,SING,C2,C26,,,,,28732,bmse010151,1
3,covalent,SING,C3,C27,,,,,28732,bmse010151,1
4,covalent,SING,C4,C28,,,,,28732,bmse010151,1
5,covalent,SING,C5,O49,,,,,28732,bmse010151,1
6,covalent,SING,C6,O50,,,,,28732,bmse010151,1
7,covalent,SING,C7,O51,,,,,28732,bmse010151,1
8,covalent,SING,C8,O52,,,,,28732,bmse010151,1
9,covalent,SING,C9,O53,,,,,28732,bmse010151,1
10,covalent,SING,C10,O54,,,,,28732,bmse010151,1
11,covalent,DOUB,C11,C13,,,,,28732,bmse010151,1
12,covalent,SING,C11,C14,,,,,28732,bmse010151,1
13,covalent,DOUB,C12,C15,,,,,28732,bmse010151,1
14,covalent,SING,C12,C16,,,,,28732,bmse010151,1
15,covalent,SING,C13,C35,,,,,28732,bmse010151,1
16,covalent,DOUB,C14,C36,,,,,28732,bmse010151,1
17,covalent,SING,C15,C37,,,,,28732,bmse010151,1
18,covalent,DOUB,C16,C38,,,,,28732,bmse010151,1
19,covalent,SING,C17,C29,,,,,28732,bmse010151,1
20,covalent,SING,C17,C31,,,,,28732,bmse010151,1
21,covalent,SING,C18,C30,,,,,28732,bmse010151,1
22,covalent,SING,C18,C32,,,,,28732,bmse010151,1
23,covalent,DOUB,C19,C29,,,,,28732,bmse010151,1
24,covalent,SING,C19,C33,,,,,28732,bmse010151,1
25,covalent,DOUB,C20,C30,,,,,28732,bmse010151,1
26,covalent,SING,C20,C34,,,,,28732,bmse010151,1
27,covalent,SING,C21,C29,,,,,28732,bmse010151,1
28,covalent,DOUB,C21,C39,,,,,28732,bmse010151,1
29,covalent,SING,C22,C30,,,,,28732,bmse010151,1
30,covalent,DOUB,C22,C40,,,,,28732,bmse010151,1
31,covalent,SING,C23,C31,,,,,28732,bmse010151,1
32,covalent,SING,C23,O55,,,,,28732,bmse010151,1
33,covalent,SING,C24,C32,,,,,28732,bmse010151,1
34,covalent,SING,C24,O56,,,,,28732,bmse010151,1
35,covalent,DOUB,C25,O45,,,,,28732,bmse010151,1
36,covalent,SING,C25,O55,,,,,28732,bmse010151,1
37,covalent,DOUB,C26,O46,,,,,28732,bmse010151,1
38,covalent,SING,C26,O56,,,,,28732,bmse010151,1
39,covalent,DOUB,C27,O47,,,,,28732,bmse010151,1
40,covalent,SING,C27,O57,,,,,28732,bmse010151,1
41,covalent,DOUB,C28,O48,,,,,28732,bmse010151,1
42,covalent,SING,C28,O58,,,,,28732,bmse010151,1
43,covalent,SING,C31,O59,,,,,28732,bmse010151,1
44,covalent,SING,C32,O60,,,,,28732,bmse010151,1
45,covalent,SING,C33,C34,,,,,28732,bmse010151,1
46,covalent,DOUB,C33,C41,,,,,28732,bmse010151,1
47,covalent,DOUB,C34,C42,,,,,28732,bmse010151,1
48,covalent,DOUB,C35,C43,,,,,28732,bmse010151,1
49,covalent,SING,C35,O49,,,,,28732,bmse010151,1
50,covalent,SING,C36,C43,,,,,28732,bmse010151,1
51,covalent,SING,C36,O50,,,,,28732,bmse010151,1
52,covalent,DOUB,C37,C44,,,,,28732,bmse010151,1
53,covalent,SING,C37,O51,,,,,28732,bmse010151,1
54,covalent,SING,C38,C44,,,,,28732,bmse010151,1
55,covalent,SING,C38,O52,,,,,28732,bmse010151,1
56,covalent,SING,C39,C41,,,,,28732,bmse010151,1
57,covalent,SING,C39,O53,,,,,28732,bmse010151,1
58,covalent,SING,C40,C42,,,,,28732,bmse010151,1
59,covalent,SING,C40,O54,,,,,28732,bmse010151,1
60,covalent,SING,C41,O57,,,,,28732,bmse010151,1
61,covalent,SING,C42,O58,,,,,28732,bmse010151,1
62,covalent,SING,C43,O59,,,,,28732,bmse010151,1
63,covalent,SING,C44,O60,,,,,28732,bmse010151,1
64,covalent,SING,C1,H63,,,,,28732,bmse010151,1
65,covalent,SING,C1,H61,,,,,28732,bmse010151,1
66,covalent,SING,C1,H62,,,,,28732,bmse010151,1
67,covalent,SING,C2,H64,,,,,28732,bmse010151,1
68,covalent,SING,C2,H66,,,,,28732,bmse010151,1
69,covalent,SING,C2,H65,,,,,28732,bmse010151,1
70,covalent,SING,C3,H68,,,,,28732,bmse010151,1
71,covalent,SING,C3,H67,,,,,28732,bmse010151,1
72,covalent,SING,C3,H69,,,,,28732,bmse010151,1
73,covalent,SING,C4,H71,,,,,28732,bmse010151,1
74,covalent,SING,C4,H72,,,,,28732,bmse010151,1
75,covalent,SING,C4,H70,,,,,28732,bmse010151,1
76,covalent,SING,C5,H75,,,,,28732,bmse010151,1
77,covalent,SING,C5,H74,,,,,28732,bmse010151,1
78,covalent,SING,C5,H73,,,,,28732,bmse010151,1
79,covalent,SING,C6,H78,,,,,28732,bmse010151,1
80,covalent,SING,C6,H76,,,,,28732,bmse010151,1
81,covalent,SING,C6,H77,,,,,28732,bmse010151,1
82,covalent,SING,C7,H79,,,,,28732,bmse010151,1
83,covalent,SING,C7,H80,,,,,28732,bmse010151,1
84,covalent,SING,C7,H81,,,,,28732,bmse010151,1
85,covalent,SING,C8,H82,,,,,28732,bmse010151,1
86,covalent,SING,C8,H84,,,,,28732,bmse010151,1
87,covalent,SING,C8,H83,,,,,28732,bmse010151,1
88,covalent,SING,C9,H86,,,,,28732,bmse010151,1
89,covalent,SING,C9,H85,,,,,28732,bmse010151,1
90,covalent,SING,C9,H87,,,,,28732,bmse010151,1
91,covalent,SING,C10,H89,,,,,28732,bmse010151,1
92,covalent,SING,C10,H90,,,,,28732,bmse010151,1
93,covalent,SING,C10,H88,,,,,28732,bmse010151,1
94,covalent,SING,C11,H91,,,,,28732,bmse010151,1
95,covalent,SING,C12,H92,,,,,28732,bmse010151,1
96,covalent,SING,C13,H93,,,,,28732,bmse010151,1
97,covalent,SING,C14,H94,,,,,28732,bmse010151,1
98,covalent,SING,C15,H95,,,,,28732,bmse010151,1
99,covalent,SING,C16,H96,,,,,28732,bmse010151,1
100,covalent,SING,C17,H97,,,,,28732,bmse010151,1
101,covalent,SING,C17,H98,,,,,28732,bmse010151,1
102,covalent,SING,C18,H99,,,,,28732,bmse010151,1
103,covalent,SING,C18,H100,,,,,28732,bmse010151,1
104,covalent,SING,C19,H101,,,,,28732,bmse010151,1
105,covalent,SING,C20,H102,,,,,28732,bmse010151,1
106,covalent,SING,C21,H103,,,,,28732,bmse010151,1
107,covalent,SING,C22,H104,,,,,28732,bmse010151,1
108,covalent,SING,C23,H105,,,,,28732,bmse010151,1
109,covalent,SING,C23,H106,,,,,28732,bmse010151,1
110,covalent,SING,C24,H107,,,,,28732,bmse010151,1
111,covalent,SING,C24,H108,,,,,28732,bmse010151,1
112,covalent,SING,C31,H109,,,,,28732,bmse010151,1
113,covalent,SING,C32,H110,,,,,28732,bmse010151,1
1,covalent,SING,C1,C15,,,,,28752,bmse010152,1
2,covalent,SING,C2,C16,,,,,28752,bmse010152,1
3,covalent,SING,C3,C17,,,,,28752,bmse010152,1
4,covalent,SING,C4,C18,,,,,28752,bmse010152,1
5,covalent,SING,C5,C19,,,,,28752,bmse010152,1
6,covalent,SING,C6,O32,,,,,28752,bmse010152,1
7,covalent,SING,C7,O33,,,,,28752,bmse010152,1
8,covalent,SING,C8,C10,,,,,28752,bmse010152,1
9,covalent,DOUB,C8,C20,,,,,28752,bmse010152,1
10,covalent,DOUB,C9,C11,,,,,28752,bmse010152,1
11,covalent,SING,C9,C20,,,,,28752,bmse010152,1
12,covalent,DOUB,C10,C22,,,,,28752,bmse010152,1
13,covalent,SING,C11,C22,,,,,28752,bmse010152,1
14,covalent,DOUB,C12,C21,,,,,28752,bmse010152,1
15,covalent,SING,C12,C23,,,,,28752,bmse010152,1
16,covalent,SING,C13,C21,,,,,28752,bmse010152,1
17,covalent,DOUB,C13,C24,,,,,28752,bmse010152,1
18,covalent,SING,C14,C25,,,,,28752,bmse010152,1
19,covalent,SING,C14,O34,,,,,28752,bmse010152,1
20,covalent,SING,C15,C21,,,,,28752,bmse010152,1
21,covalent,SING,C15,O35,,,,,28752,bmse010152,1
22,covalent,DOUB,C16,O28,,,,,28752,bmse010152,1
23,covalent,SING,C16,O34,,,,,28752,bmse010152,1
24,covalent,DOUB,C17,O29,,,,,28752,bmse010152,1
25,covalent,SING,C17,O35,,,,,28752,bmse010152,1
26,covalent,DOUB,C18,O30,,,,,28752,bmse010152,1
27,covalent,SING,C18,O36,,,,,28752,bmse010152,1
28,covalent,DOUB,C19,O31,,,,,28752,bmse010152,1
29,covalent,SING,C19,O37,,,,,28752,bmse010152,1
30,covalent,SING,C20,C26,,,,,28752,bmse010152,1
31,covalent,SING,C22,O36,,,,,28752,bmse010152,1
32,covalent,DOUB,C23,C27,,,,,28752,bmse010152,1
33,covalent,SING,C23,O32,,,,,28752,bmse010152,1
34,covalent,SING,C24,C27,,,,,28752,bmse010152,1
35,covalent,SING,C24,O33,,,,,28752,bmse010152,1
36,covalent,SING,C25,C26,,,,,28752,bmse010152,1
37,covalent,SING,C25,O38,,,,,28752,bmse010152,1
38,covalent,SING,C26,O37,,,,,28752,bmse010152,1
39,covalent,SING,C27,O38,,,,,28752,bmse010152,1
40,covalent,SING,C1,H40,,,,,28752,bmse010152,1
41,covalent,SING,C1,H39,,,,,28752,bmse010152,1
42,covalent,SING,C1,H41,,,,,28752,bmse010152,1
43,covalent,SING,C2,H43,,,,,28752,bmse010152,1
44,covalent,SING,C2,H44,,,,,28752,bmse010152,1
45,covalent,SING,C2,H42,,,,,28752,bmse010152,1
46,covalent,SING,C3,H47,,,,,28752,bmse010152,1
47,covalent,SING,C3,H45,,,,,28752,bmse010152,1
48,covalent,SING,C3,H46,,,,,28752,bmse010152,1
49,covalent,SING,C4,H50,,,,,28752,bmse010152,1
50,covalent,SING,C4,H49,,,,,28752,bmse010152,1
51,covalent,SING,C4,H48,,,,,28752,bmse010152,1
52,covalent,SING,C5,H52,,,,,28752,bmse010152,1
53,covalent,SING,C5,H51,,,,,28752,bmse010152,1
54,covalent,SING,C5,H53,,,,,28752,bmse010152,1
55,covalent,SING,C6,H54,,,,,28752,bmse010152,1
56,covalent,SING,C6,H56,,,,,28752,bmse010152,1
57,covalent,SING,C6,H55,,,,,28752,bmse010152,1
58,covalent,SING,C7,H59,,,,,28752,bmse010152,1
59,covalent,SING,C7,H57,,,,,28752,bmse010152,1
60,covalent,SING,C7,H58,,,,,28752,bmse010152,1
61,covalent,SING,C8,H60,,,,,28752,bmse010152,1
62,covalent,SING,C9,H61,,,,,28752,bmse010152,1
63,covalent,SING,C10,H62,,,,,28752,bmse010152,1
64,covalent,SING,C11,H63,,,,,28752,bmse010152,1
65,covalent,SING,C12,H64,,,,,28752,bmse010152,1
66,covalent,SING,C13,H65,,,,,28752,bmse010152,1
67,covalent,SING,C14,H66,,,,,28752,bmse010152,1
68,covalent,SING,C14,H67,,,,,28752,bmse010152,1
69,covalent,SING,C15,H68,,,,,28752,bmse010152,1
70,covalent,SING,C25,H69,,,,,28752,bmse010152,1
71,covalent,SING,C26,H70,,,,,28752,bmse010152,1
1,covalent,SING,C1,C21,,,,,28772,bmse010153,1
2,covalent,SING,C2,C22,,,,,28772,bmse010153,1
3,covalent,SING,C3,C23,,,,,28772,bmse010153,1
4,covalent,SING,C4,C24,,,,,28772,bmse010153,1
5,covalent,SING,C5,C25,,,,,28772,bmse010153,1
6,covalent,SING,C6,O44,,,,,28772,bmse010153,1
7,covalent,SING,C7,O45,,,,,28772,bmse010153,1
8,covalent,SING,C8,O46,,,,,28772,bmse010153,1
9,covalent,SING,C9,O47,,,,,28772,bmse010153,1
10,covalent,DOUB,C10,C11,,,,,28772,bmse010153,1
11,covalent,SING,C10,C12,,,,,28772,bmse010153,1
12,covalent,SING,C11,C13,,,,,28772,bmse010153,1
13,covalent,DOUB,C12,C28,,,,,28772,bmse010153,1
14,covalent,DOUB,C13,C29,,,,,28772,bmse010153,1
15,covalent,DOUB,C14,C15,,,,,28772,bmse010153,1
16,covalent,SING,C14,C26,,,,,28772,bmse010153,1
17,covalent,SING,C15,C30,,,,,28772,bmse010153,1
18,covalent,DOUB,C16,C26,,,,,28772,bmse010153,1
19,covalent,SING,C16,C31,,,,,28772,bmse010153,1
20,covalent,DOUB,C17,C27,,,,,28772,bmse010153,1
21,covalent,SING,C17,C32,,,,,28772,bmse010153,1
22,covalent,SING,C18,C27,,,,,28772,bmse010153,1
23,covalent,DOUB,C18,C33,,,,,28772,bmse010153,1
24,covalent,SING,C19,C34,,,,,28772,bmse010153,1
25,covalent,SING,C19,O48,,,,,28772,bmse010153,1
26,covalent,SING,C20,C35,,,,,28772,bmse010153,1
27,covalent,SING,C20,O49,,,,,28772,bmse010153,1
28,covalent,DOUB,C21,O39,,,,,28772,bmse010153,1
29,covalent,SING,C21,O48,,,,,28772,bmse010153,1
30,covalent,DOUB,C22,O40,,,,,28772,bmse010153,1
31,covalent,SING,C22,O49,,,,,28772,bmse010153,1
32,covalent,DOUB,C23,O41,,,,,28772,bmse010153,1
33,covalent,SING,C23,O50,,,,,28772,bmse010153,1
34,covalent,DOUB,C24,O42,,,,,28772,bmse010153,1
35,covalent,SING,C24,O51,,,,,28772,bmse010153,1
36,covalent,DOUB,C25,O43,,,,,28772,bmse010153,1
37,covalent,SING,C25,O52,,,,,28772,bmse010153,1
38,covalent,SING,C26,C36,,,,,28772,bmse010153,1
39,covalent,SING,C27,C37,,,,,28772,bmse010153,1
40,covalent,SING,C28,C29,,,,,28772,bmse010153,1
41,covalent,SING,C28,O44,,,,,28772,bmse010153,1
42,covalent,SING,C29,O53,,,,,28772,bmse010153,1
43,covalent,DOUB,C30,C31,,,,,28772,bmse010153,1
44,covalent,SING,C30,O50,,,,,28772,bmse010153,1
45,covalent,SING,C31,O45,,,,,28772,bmse010153,1
46,covalent,DOUB,C32,C38,,,,,28772,bmse010153,1
47,covalent,SING,C32,O46,,,,,28772,bmse010153,1
48,covalent,SING,C33,C38,,,,,28772,bmse010153,1
49,covalent,SING,C33,O47,,,,,28772,bmse010153,1
50,covalent,SING,C34,C37,,,,,28772,bmse010153,1
51,covalent,SING,C34,O53,,,,,28772,bmse010153,1
52,covalent,SING,C35,C36,,,,,28772,bmse010153,1
53,covalent,SING,C35,O54,,,,,28772,bmse010153,1
54,covalent,SING,C36,O51,,,,,28772,bmse010153,1
55,covalent,SING,C37,O52,,,,,28772,bmse010153,1
56,covalent,SING,C38,O54,,,,,28772,bmse010153,1
57,covalent,SING,C1,H55,,,,,28772,bmse010153,1
58,covalent,SING,C1,H56,,,,,28772,bmse010153,1
59,covalent,SING,C1,H57,,,,,28772,bmse010153,1
60,covalent,SING,C2,H58,,,,,28772,bmse010153,1
61,covalent,SING,C2,H59,,,,,28772,bmse010153,1
62,covalent,SING,C2,H60,,,,,28772,bmse010153,1
63,covalent,SING,C3,H61,,,,,28772,bmse010153,1
64,covalent,SING,C3,H62,,,,,28772,bmse010153,1
65,covalent,SING,C3,H63,,,,,28772,bmse010153,1
66,covalent,SING,C4,H64,,,,,28772,bmse010153,1
67,covalent,SING,C4,H65,,,,,28772,bmse010153,1
68,covalent,SING,C4,H66,,,,,28772,bmse010153,1
69,covalent,SING,C5,H67,,,,,28772,bmse010153,1
70,covalent,SING,C5,H68,,,,,28772,bmse010153,1
71,covalent,SING,C5,H69,,,,,28772,bmse010153,1
72,covalent,SING,C6,H70,,,,,28772,bmse010153,1
73,covalent,SING,C6,H71,,,,,28772,bmse010153,1
74,covalent,SING,C6,H72,,,,,28772,bmse010153,1
75,covalent,SING,C7,H73,,,,,28772,bmse010153,1
76,covalent,SING,C7,H74,,,,,28772,bmse010153,1
77,covalent,SING,C7,H75,,,,,28772,bmse010153,1
78,covalent,SING,C8,H76,,,,,28772,bmse010153,1
79,covalent,SING,C8,H77,,,,,28772,bmse010153,1
80,covalent,SING,C8,H78,,,,,28772,bmse010153,1
81,covalent,SING,C9,H79,,,,,28772,bmse010153,1
82,covalent,SING,C9,H80,,,,,28772,bmse010153,1
83,covalent,SING,C9,H81,,,,,28772,bmse010153,1
84,covalent,SING,C10,H82,,,,,28772,bmse010153,1
85,covalent,SING,C11,H83,,,,,28772,bmse010153,1
86,covalent,SING,C12,H84,,,,,28772,bmse010153,1
87,covalent,SING,C13,H85,,,,,28772,bmse010153,1
88,covalent,SING,C14,H86,,,,,28772,bmse010153,1
89,covalent,SING,C15,H87,,,,,28772,bmse010153,1
90,covalent,SING,C16,H88,,,,,28772,bmse010153,1
91,covalent,SING,C17,H89,,,,,28772,bmse010153,1
92,covalent,SING,C18,H90,,,,,28772,bmse010153,1
93,covalent,SING,C19,H91,,,,,28772,bmse010153,1
94,covalent,SING,C19,H92,,,,,28772,bmse010153,1
95,covalent,SING,C20,H93,,,,,28772,bmse010153,1
96,covalent,SING,C20,H94,,,,,28772,bmse010153,1
97,covalent,SING,C34,H95,,,,,28772,bmse010153,1
98,covalent,SING,C35,H96,,,,,28772,bmse010153,1
99,covalent,SING,C36,H97,,,,,28772,bmse010153,1
100,covalent,SING,C37,H98,,,,,28772,bmse010153,1
1,covalent,SING,C1,C14,,,,,28792,bmse010154,1
2,covalent,SING,C2,C15,,,,,28792,bmse010154,1
3,covalent,SING,C3,C16,,,,,28792,bmse010154,1
4,covalent,SING,C4,O31,,,,,28792,bmse010154,1
5,covalent,SING,C5,O32,,,,,28792,bmse010154,1
6,covalent,SING,C6,O33,,,,,28792,bmse010154,1
7,covalent,SING,C7,O34,,,,,28792,bmse010154,1
8,covalent,DOUB,C8,C17,,,,,28792,bmse010154,1
9,covalent,SING,C8,C19,,,,,28792,bmse010154,1
10,covalent,SING,C9,C17,,,,,28792,bmse010154,1
11,covalent,DOUB,C9,C20,,,,,28792,bmse010154,1
12,covalent,DOUB,C10,C18,,,,,28792,bmse010154,1
13,covalent,SING,C10,C21,,,,,28792,bmse010154,1
14,covalent,SING,C11,C18,,,,,28792,bmse010154,1
15,covalent,DOUB,C11,C22,,,,,28792,bmse010154,1
16,covalent,SING,C12,C17,,,,,28792,bmse010154,1
17,covalent,DOUB,C12,O27,,,,,28792,bmse010154,1
18,covalent,SING,C13,C23,,,,,28792,bmse010154,1
19,covalent,SING,C13,O35,,,,,28792,bmse010154,1
20,covalent,DOUB,C14,O28,,,,,28792,bmse010154,1
21,covalent,SING,C14,O35,,,,,28792,bmse010154,1
22,covalent,DOUB,C15,O29,,,,,28792,bmse010154,1
23,covalent,SING,C15,O36,,,,,28792,bmse010154,1
24,covalent,DOUB,C16,O30,,,,,28792,bmse010154,1
25,covalent,SING,C16,O37,,,,,28792,bmse010154,1
26,covalent,SING,C18,C24,,,,,28792,bmse010154,1
27,covalent,DOUB,C19,C26,,,,,28792,bmse010154,1
28,covalent,SING,C19,O31,,,,,28792,bmse010154,1
29,covalent,SING,C20,C26,,,,,28792,bmse010154,1
30,covalent,SING,C20,O32,,,,,28792,bmse010154,1
31,covalent,DOUB,C21,C25,,,,,28792,bmse010154,1
32,covalent,SING,C21,O33,,,,,28792,bmse010154,1
33,covalent,SING,C22,C25,,,,,28792,bmse010154,1
34,covalent,SING,C22,O34,,,,,28792,bmse010154,1
35,covalent,SING,C23,C24,,,,,28792,bmse010154,1
36,covalent,SING,C23,O38,,,,,28792,bmse010154,1
37,covalent,SING,C24,O36,,,,,28792,bmse010154,1
38,covalent,SING,C25,O37,,,,,28792,bmse010154,1
39,covalent,SING,C26,O38,,,,,28792,bmse010154,1
40,covalent,SING,C1,H39,,,,,28792,bmse010154,1
41,covalent,SING,C1,H40,,,,,28792,bmse010154,1
42,covalent,SING,C1,H41,,,,,28792,bmse010154,1
43,covalent,SING,C2,H42,,,,,28792,bmse010154,1
44,covalent,SING,C2,H43,,,,,28792,bmse010154,1
45,covalent,SING,C2,H44,,,,,28792,bmse010154,1
46,covalent,SING,C3,H46,,,,,28792,bmse010154,1
47,covalent,SING,C3,H45,,,,,28792,bmse010154,1
48,covalent,SING,C3,H47,,,,,28792,bmse010154,1
49,covalent,SING,C4,H48,,,,,28792,bmse010154,1
50,covalent,SING,C4,H50,,,,,28792,bmse010154,1
51,covalent,SING,C4,H49,,,,,28792,bmse010154,1
52,covalent,SING,C5,H52,,,,,28792,bmse010154,1
53,covalent,SING,C5,H51,,,,,28792,bmse010154,1
54,covalent,SING,C5,H53,,,,,28792,bmse010154,1
55,covalent,SING,C6,H54,,,,,28792,bmse010154,1
56,covalent,SING,C6,H56,,,,,28792,bmse010154,1
57,covalent,SING,C6,H55,,,,,28792,bmse010154,1
58,covalent,SING,C7,H58,,,,,28792,bmse010154,1
59,covalent,SING,C7,H59,,,,,28792,bmse010154,1
60,covalent,SING,C7,H57,,,,,28792,bmse010154,1
61,covalent,SING,C8,H60,,,,,28792,bmse010154,1
62,covalent,SING,C9,H61,,,,,28792,bmse010154,1
63,covalent,SING,C10,H62,,,,,28792,bmse010154,1
64,covalent,SING,C11,H63,,,,,28792,bmse010154,1
65,covalent,SING,C12,H64,,,,,28792,bmse010154,1
66,covalent,SING,C13,H65,,,,,28792,bmse010154,1
67,covalent,SING,C13,H66,,,,,28792,bmse010154,1
68,covalent,SING,C23,H67,,,,,28792,bmse010154,1
69,covalent,SING,C24,H68,,,,,28792,bmse010154,1
1,covalent,SING,C1,C15,,,,,28812,bmse010155,1
2,covalent,SING,C2,C16,,,,,28812,bmse010155,1
3,covalent,SING,C3,C17,,,,,28812,bmse010155,1
4,covalent,SING,C4,C18,,,,,28812,bmse010155,1
5,covalent,SING,C5,O33,,,,,28812,bmse010155,1
6,covalent,SING,C6,O34,,,,,28812,bmse010155,1
7,covalent,SING,C7,O35,,,,,28812,bmse010155,1
8,covalent,SING,C8,O36,,,,,28812,bmse010155,1
9,covalent,DOUB,C9,C19,,,,,28812,bmse010155,1
10,covalent,SING,C9,C21,,,,,28812,bmse010155,1
11,covalent,SING,C10,C19,,,,,28812,bmse010155,1
12,covalent,DOUB,C10,C22,,,,,28812,bmse010155,1
13,covalent,DOUB,C11,C20,,,,,28812,bmse010155,1
14,covalent,SING,C11,C23,,,,,28812,bmse010155,1
15,covalent,SING,C12,C20,,,,,28812,bmse010155,1
16,covalent,DOUB,C12,C24,,,,,28812,bmse010155,1
17,covalent,SING,C13,C19,,,,,28812,bmse010155,1
18,covalent,SING,C13,O37,,,,,28812,bmse010155,1
19,covalent,SING,C14,C25,,,,,28812,bmse010155,1
20,covalent,SING,C14,O38,,,,,28812,bmse010155,1
21,covalent,DOUB,C15,O29,,,,,28812,bmse010155,1
22,covalent,SING,C15,O37,,,,,28812,bmse010155,1
23,covalent,DOUB,C16,O30,,,,,28812,bmse010155,1
24,covalent,SING,C16,O38,,,,,28812,bmse010155,1
25,covalent,DOUB,C17,O31,,,,,28812,bmse010155,1
26,covalent,SING,C17,O39,,,,,28812,bmse010155,1
27,covalent,DOUB,C18,O32,,,,,28812,bmse010155,1
28,covalent,SING,C18,O40,,,,,28812,bmse010155,1
29,covalent,SING,C20,C26,,,,,28812,bmse010155,1
30,covalent,DOUB,C21,C28,,,,,28812,bmse010155,1
31,covalent,SING,C21,O33,,,,,28812,bmse010155,1
32,covalent,SING,C22,C28,,,,,28812,bmse010155,1
33,covalent,SING,C22,O34,,,,,28812,bmse010155,1
34,covalent,DOUB,C23,C27,,,,,28812,bmse010155,1
35,covalent,SING,C23,O35,,,,,28812,bmse010155,1
36,covalent,SING,C24,C27,,,,,28812,bmse010155,1
37,covalent,SING,C24,O36,,,,,28812,bmse010155,1
38,covalent,SING,C25,C26,,,,,28812,bmse010155,1
39,covalent,SING,C25,O41,,,,,28812,bmse010155,1
40,covalent,SING,C26,O39,,,,,28812,bmse010155,1
41,covalent,SING,C27,O40,,,,,28812,bmse010155,1
42,covalent,SING,C28,O41,,,,,28812,bmse010155,1
43,covalent,SING,C1,H43,,,,,28812,bmse010155,1
44,covalent,SING,C1,H42,,,,,28812,bmse010155,1
45,covalent,SING,C1,H44,,,,,28812,bmse010155,1
46,covalent,SING,C2,H45,,,,,28812,bmse010155,1
47,covalent,SING,C2,H46,,,,,28812,bmse010155,1
48,covalent,SING,C2,H47,,,,,28812,bmse010155,1
49,covalent,SING,C3,H50,,,,,28812,bmse010155,1
50,covalent,SING,C3,H49,,,,,28812,bmse010155,1
51,covalent,SING,C3,H48,,,,,28812,bmse010155,1
52,covalent,SING,C4,H52,,,,,28812,bmse010155,1
53,covalent,SING,C4,H51,,,,,28812,bmse010155,1
54,covalent,SING,C4,H53,,,,,28812,bmse010155,1
55,covalent,SING,C5,H54,,,,,28812,bmse010155,1
56,covalent,SING,C5,H56,,,,,28812,bmse010155,1
57,covalent,SING,C5,H55,,,,,28812,bmse010155,1
58,covalent,SING,C6,H58,,,,,28812,bmse010155,1
59,covalent,SING,C6,H57,,,,,28812,bmse010155,1
60,covalent,SING,C6,H59,,,,,28812,bmse010155,1
61,covalent,SING,C7,H60,,,,,28812,bmse010155,1
62,covalent,SING,C7,H62,,,,,28812,bmse010155,1
63,covalent,SING,C7,H61,,,,,28812,bmse010155,1
64,covalent,SING,C8,H64,,,,,28812,bmse010155,1
65,covalent,SING,C8,H65,,,,,28812,bmse010155,1
66,covalent,SING,C8,H63,,,,,28812,bmse010155,1
67,covalent,SING,C9,H66,,,,,28812,bmse010155,1
68,covalent,SING,C10,H67,,,,,28812,bmse010155,1
69,covalent,SING,C11,H68,,,,,28812,bmse010155,1
70,covalent,SING,C12,H69,,,,,28812,bmse010155,1
71,covalent,SING,C13,H70,,,,,28812,bmse010155,1
72,covalent,SING,C13,H71,,,,,28812,bmse010155,1
73,covalent,SING,C14,H72,,,,,28812,bmse010155,1
74,covalent,SING,C14,H73,,,,,28812,bmse010155,1
75,covalent,SING,C25,H74,,,,,28812,bmse010155,1
76,covalent,SING,C26,H75,,,,,28812,bmse010155,1
1,covalent,SING,C1,O13,,,,,28832,bmse010156,1
2,covalent,DOUB,C2,C3,,,,,28832,bmse010156,1
3,covalent,SING,C2,C6,,,,,28832,bmse010156,1
4,covalent,SING,C3,C8,,,,,28832,bmse010156,1
5,covalent,DOUB,C4,C5,,,,,28832,bmse010156,1
6,covalent,SING,C4,C8,,,,,28832,bmse010156,1
7,covalent,SING,C5,C9,,,,,28832,bmse010156,1
8,covalent,SING,C6,O11,,,,,28832,bmse010156,1
9,covalent,DOUB,C7,C8,,,,,28832,bmse010156,1
10,covalent,SING,C7,C10,,,,,28832,bmse010156,1
11,covalent,DOUB,C9,C10,,,,,28832,bmse010156,1
12,covalent,SING,C9,O12,,,,,28832,bmse010156,1
13,covalent,SING,C10,O13,,,,,28832,bmse010156,1
14,covalent,SING,C1,H15,,,,,28832,bmse010156,1
15,covalent,SING,C1,H16,,,,,28832,bmse010156,1
16,covalent,SING,C1,H14,,,,,28832,bmse010156,1
17,covalent,SING,C2,H17,,,,,28832,bmse010156,1
18,covalent,SING,C3,H18,,,,,28832,bmse010156,1
19,covalent,SING,C4,H19,,,,,28832,bmse010156,1
20,covalent,SING,C5,H20,,,,,28832,bmse010156,1
21,covalent,SING,C6,H21,,,,,28832,bmse010156,1
22,covalent,SING,C6,H22,,,,,28832,bmse010156,1
23,covalent,SING,C7,H23,,,,,28832,bmse010156,1
24,covalent,SING,O11,H24,,,,,28832,bmse010156,1
25,covalent,SING,O12,H25,,,,,28832,bmse010156,1
1,covalent,SING,C1,C14,,,,,28852,bmse010157,1
2,covalent,SING,C2,C15,,,,,28852,bmse010157,1
3,covalent,SING,C3,C16,,,,,28852,bmse010157,1
4,covalent,SING,C4,C17,,,,,28852,bmse010157,1
5,covalent,SING,C5,O29,,,,,28852,bmse010157,1
6,covalent,SING,C6,O30,,,,,28852,bmse010157,1
7,covalent,SING,C7,O31,,,,,28852,bmse010157,1
8,covalent,DOUB,C8,C9,,,,,28852,bmse010157,1
9,covalent,SING,C8,C18,,,,,28852,bmse010157,1
10,covalent,SING,C9,C19,,,,,28852,bmse010157,1
11,covalent,DOUB,C10,C14,,,,,28852,bmse010157,1
12,covalent,SING,C10,C21,,,,,28852,bmse010157,1
13,covalent,SING,C11,C14,,,,,28852,bmse010157,1
14,covalent,DOUB,C11,C22,,,,,28852,bmse010157,1
15,covalent,DOUB,C12,C18,,,,,28852,bmse010157,1
16,covalent,SING,C12,C20,,,,,28852,bmse010157,1
17,covalent,SING,C13,C23,,,,,28852,bmse010157,1
18,covalent,SING,C13,O32,,,,,28852,bmse010157,1
19,covalent,DOUB,C15,O26,,,,,28852,bmse010157,1
20,covalent,SING,C15,O32,,,,,28852,bmse010157,1
21,covalent,DOUB,C16,O27,,,,,28852,bmse010157,1
22,covalent,SING,C16,O33,,,,,28852,bmse010157,1
23,covalent,DOUB,C17,O28,,,,,28852,bmse010157,1
24,covalent,SING,C17,O34,,,,,28852,bmse010157,1
25,covalent,SING,C18,C24,,,,,28852,bmse010157,1
26,covalent,DOUB,C19,C20,,,,,28852,bmse010157,1
27,covalent,SING,C19,O33,,,,,28852,bmse010157,1
28,covalent,SING,C20,O29,,,,,28852,bmse010157,1
29,covalent,DOUB,C21,C25,,,,,28852,bmse010157,1
30,covalent,SING,C21,O30,,,,,28852,bmse010157,1
31,covalent,SING,C22,C25,,,,,28852,bmse010157,1
32,covalent,SING,C22,O31,,,,,28852,bmse010157,1
33,covalent,SING,C23,C24,,,,,28852,bmse010157,1
34,covalent,SING,C23,O35,,,,,28852,bmse010157,1
35,covalent,SING,C24,O34,,,,,28852,bmse010157,1
36,covalent,SING,C25,O35,,,,,28852,bmse010157,1
37,covalent,SING,C1,H36,,,,,28852,bmse010157,1
38,covalent,SING,C1,H37,,,,,28852,bmse010157,1
39,covalent,SING,C1,H38,,,,,28852,bmse010157,1
40,covalent,SING,C2,H39,,,,,28852,bmse010157,1
41,covalent,SING,C2,H40,,,,,28852,bmse010157,1
42,covalent,SING,C2,H41,,,,,28852,bmse010157,1
43,covalent,SING,C3,H42,,,,,28852,bmse010157,1
44,covalent,SING,C3,H43,,,,,28852,bmse010157,1
45,covalent,SING,C3,H44,,,,,28852,bmse010157,1
46,covalent,SING,C4,H45,,,,,28852,bmse010157,1
47,covalent,SING,C4,H46,,,,,28852,bmse010157,1
48,covalent,SING,C4,H47,,,,,28852,bmse010157,1
49,covalent,SING,C5,H48,,,,,28852,bmse010157,1
50,covalent,SING,C5,H49,,,,,28852,bmse010157,1
51,covalent,SING,C5,H50,,,,,28852,bmse010157,1
52,covalent,SING,C6,H51,,,,,28852,bmse010157,1
53,covalent,SING,C6,H52,,,,,28852,bmse010157,1
54,covalent,SING,C6,H53,,,,,28852,bmse010157,1
55,covalent,SING,C7,H54,,,,,28852,bmse010157,1
56,covalent,SING,C7,H55,,,,,28852,bmse010157,1
57,covalent,SING,C7,H56,,,,,28852,bmse010157,1
58,covalent,SING,C8,H57,,,,,28852,bmse010157,1
59,covalent,SING,C9,H58,,,,,28852,bmse010157,1
60,covalent,SING,C10,H59,,,,,28852,bmse010157,1
61,covalent,SING,C11,H60,,,,,28852,bmse010157,1
62,covalent,SING,C12,H61,,,,,28852,bmse010157,1
63,covalent,SING,C13,H62,,,,,28852,bmse010157,1
64,covalent,SING,C13,H63,,,,,28852,bmse010157,1
65,covalent,SING,C23,H64,,,,,28852,bmse010157,1
66,covalent,SING,C24,H65,,,,,28852,bmse010157,1
1,covalent,SING,C1,C13,,,,,28872,bmse010158,1
2,covalent,SING,C2,C14,,,,,28872,bmse010158,1
3,covalent,SING,C3,C15,,,,,28872,bmse010158,1
4,covalent,SING,C4,O28,,,,,28872,bmse010158,1
5,covalent,SING,C5,O29,,,,,28872,bmse010158,1
6,covalent,DOUB,C6,C8,,,,,28872,bmse010158,1
7,covalent,SING,C6,C16,,,,,28872,bmse010158,1
8,covalent,DOUB,C7,C9,,,,,28872,bmse010158,1
9,covalent,SING,C7,C17,,,,,28872,bmse010158,1
10,covalent,SING,C8,C19,,,,,28872,bmse010158,1
11,covalent,SING,C9,C20,,,,,28872,bmse010158,1
12,covalent,DOUB,C10,C16,,,,,28872,bmse010158,1
13,covalent,SING,C10,C21,,,,,28872,bmse010158,1
14,covalent,DOUB,C11,C17,,,,,28872,bmse010158,1
15,covalent,SING,C11,C22,,,,,28872,bmse010158,1
16,covalent,SING,C12,C18,,,,,28872,bmse010158,1
17,covalent,SING,C12,O30,,,,,28872,bmse010158,1
18,covalent,DOUB,C13,O24,,,,,28872,bmse010158,1
19,covalent,SING,C13,O30,,,,,28872,bmse010158,1
20,covalent,DOUB,C14,O25,,,,,28872,bmse010158,1
21,covalent,SING,C14,O31,,,,,28872,bmse010158,1
22,covalent,DOUB,C15,O26,,,,,28872,bmse010158,1
23,covalent,SING,C15,O32,,,,,28872,bmse010158,1
24,covalent,SING,C16,C18,,,,,28872,bmse010158,1
25,covalent,SING,C17,C23,,,,,28872,bmse010158,1
26,covalent,SING,C18,C23,,,,,28872,bmse010158,1
27,covalent,DOUB,C19,C21,,,,,28872,bmse010158,1
28,covalent,SING,C19,O31,,,,,28872,bmse010158,1
29,covalent,DOUB,C20,C22,,,,,28872,bmse010158,1
30,covalent,SING,C20,O32,,,,,28872,bmse010158,1
31,covalent,SING,C21,O28,,,,,28872,bmse010158,1
32,covalent,SING,C22,O29,,,,,28872,bmse010158,1
33,covalent,DOUB,C23,O27,,,,,28872,bmse010158,1
34,covalent,SING,C1,H34,,,,,28872,bmse010158,1
35,covalent,SING,C1,H33,,,,,28872,bmse010158,1
36,covalent,SING,C1,H35,,,,,28872,bmse010158,1
37,covalent,SING,C2,H37,,,,,28872,bmse010158,1
38,covalent,SING,C2,H36,,,,,28872,bmse010158,1
39,covalent,SING,C2,H38,,,,,28872,bmse010158,1
40,covalent,SING,C3,H41,,,,,28872,bmse010158,1
41,covalent,SING,C3,H39,,,,,28872,bmse010158,1
42,covalent,SING,C3,H40,,,,,28872,bmse010158,1
43,covalent,SING,C4,H43,,,,,28872,bmse010158,1
44,covalent,SING,C4,H44,,,,,28872,bmse010158,1
45,covalent,SING,C4,H42,,,,,28872,bmse010158,1
46,covalent,SING,C5,H47,,,,,28872,bmse010158,1
47,covalent,SING,C5,H45,,,,,28872,bmse010158,1
48,covalent,SING,C5,H46,,,,,28872,bmse010158,1
49,covalent,SING,C6,H48,,,,,28872,bmse010158,1
50,covalent,SING,C7,H49,,,,,28872,bmse010158,1
51,covalent,SING,C8,H50,,,,,28872,bmse010158,1
52,covalent,SING,C9,H51,,,,,28872,bmse010158,1
53,covalent,SING,C10,H52,,,,,28872,bmse010158,1
54,covalent,SING,C11,H53,,,,,28872,bmse010158,1
55,covalent,SING,C12,H54,,,,,28872,bmse010158,1
56,covalent,SING,C12,H55,,,,,28872,bmse010158,1
57,covalent,SING,C18,H56,,,,,28872,bmse010158,1
1,covalent,SING,C1,C12,,,,,28892,bmse010159,1
2,covalent,SING,C2,C13,,,,,28892,bmse010159,1
3,covalent,SING,C3,C14,,,,,28892,bmse010159,1
4,covalent,SING,C4,O25,,,,,28892,bmse010159,1
5,covalent,SING,C5,O26,,,,,28892,bmse010159,1
6,covalent,DOUB,C6,C7,,,,,28892,bmse010159,1
7,covalent,SING,C6,C15,,,,,28892,bmse010159,1
8,covalent,SING,C7,C18,,,,,28892,bmse010159,1
9,covalent,DOUB,C8,C12,,,,,28892,bmse010159,1
10,covalent,SING,C8,C16,,,,,28892,bmse010159,1
11,covalent,SING,C9,C12,,,,,28892,bmse010159,1
12,covalent,DOUB,C9,C20,,,,,28892,bmse010159,1
13,covalent,DOUB,C10,C15,,,,,28892,bmse010159,1
14,covalent,SING,C10,C19,,,,,28892,bmse010159,1
15,covalent,SING,C11,C17,,,,,28892,bmse010159,1
16,covalent,SING,C11,O27,,,,,28892,bmse010159,1
17,covalent,DOUB,C13,O23,,,,,28892,bmse010159,1
18,covalent,SING,C13,O27,,,,,28892,bmse010159,1
19,covalent,DOUB,C14,O24,,,,,28892,bmse010159,1
20,covalent,SING,C14,O28,,,,,28892,bmse010159,1
21,covalent,SING,C15,C21,,,,,28892,bmse010159,1
22,covalent,SING,C16,C17,,,,,28892,bmse010159,1
23,covalent,DOUB,C16,C22,,,,,28892,bmse010159,1
24,covalent,SING,C17,C21,,,,,28892,bmse010159,1
25,covalent,DOUB,C18,C19,,,,,28892,bmse010159,1
26,covalent,SING,C18,O28,,,,,28892,bmse010159,1
27,covalent,SING,C19,O25,,,,,28892,bmse010159,1
28,covalent,SING,C20,C22,,,,,28892,bmse010159,1
29,covalent,SING,C20,O26,,,,,28892,bmse010159,1
30,covalent,SING,C21,O29,,,,,28892,bmse010159,1
31,covalent,SING,C22,O29,,,,,28892,bmse010159,1
32,covalent,SING,C1,H30,,,,,28892,bmse010159,1
33,covalent,SING,C1,H31,,,,,28892,bmse010159,1
34,covalent,SING,C1,H32,,,,,28892,bmse010159,1
35,covalent,SING,C2,H34,,,,,28892,bmse010159,1
36,covalent,SING,C2,H35,,,,,28892,bmse010159,1
37,covalent,SING,C2,H33,,,,,28892,bmse010159,1
38,covalent,SING,C3,H38,,,,,28892,bmse010159,1
39,covalent,SING,C3,H37,,,,,28892,bmse010159,1
40,covalent,SING,C3,H36,,,,,28892,bmse010159,1
41,covalent,SING,C4,H39,,,,,28892,bmse010159,1
42,covalent,SING,C4,H40,,,,,28892,bmse010159,1
43,covalent,SING,C4,H41,,,,,28892,bmse010159,1
44,covalent,SING,C5,H42,,,,,28892,bmse010159,1
45,covalent,SING,C5,H43,,,,,28892,bmse010159,1
46,covalent,SING,C5,H44,,,,,28892,bmse010159,1
47,covalent,SING,C6,H45,,,,,28892,bmse010159,1
48,covalent,SING,C7,H46,,,,,28892,bmse010159,1
49,covalent,SING,C8,H47,,,,,28892,bmse010159,1
50,covalent,SING,C9,H48,,,,,28892,bmse010159,1
51,covalent,SING,C10,H49,,,,,28892,bmse010159,1
52,covalent,SING,C11,H50,,,,,28892,bmse010159,1
53,covalent,SING,C11,H51,,,,,28892,bmse010159,1
54,covalent,SING,C17,H52,,,,,28892,bmse010159,1
55,covalent,SING,C21,H53,,,,,28892,bmse010159,1
1,covalent,SING,C1,C21,,,,,28912,bmse010160,1
2,covalent,SING,C2,C22,,,,,28912,bmse010160,1
3,covalent,SING,C3,C23,,,,,28912,bmse010160,1
4,covalent,SING,C4,C24,,,,,28912,bmse010160,1
5,covalent,SING,C5,C25,,,,,28912,bmse010160,1
6,covalent,SING,C6,C26,,,,,28912,bmse010160,1
7,covalent,SING,C7,O47,,,,,28912,bmse010160,1
8,covalent,SING,C8,O48,,,,,28912,bmse010160,1
9,covalent,SING,C9,O49,,,,,28912,bmse010160,1
10,covalent,SING,C10,O50,,,,,28912,bmse010160,1
11,covalent,DOUB,C11,C13,,,,,28912,bmse010160,1
12,covalent,SING,C11,C27,,,,,28912,bmse010160,1
13,covalent,DOUB,C12,C14,,,,,28912,bmse010160,1
14,covalent,SING,C12,C28,,,,,28912,bmse010160,1
15,covalent,SING,C13,C31,,,,,28912,bmse010160,1
16,covalent,SING,C14,C32,,,,,28912,bmse010160,1
17,covalent,DOUB,C15,C27,,,,,28912,bmse010160,1
18,covalent,SING,C15,C33,,,,,28912,bmse010160,1
19,covalent,DOUB,C16,C28,,,,,28912,bmse010160,1
20,covalent,SING,C16,C34,,,,,28912,bmse010160,1
21,covalent,DOUB,C17,C29,,,,,28912,bmse010160,1
22,covalent,SING,C17,C35,,,,,28912,bmse010160,1
23,covalent,SING,C18,C29,,,,,28912,bmse010160,1
24,covalent,DOUB,C18,C36,,,,,28912,bmse010160,1
25,covalent,SING,C19,C30,,,,,28912,bmse010160,1
26,covalent,SING,C19,O51,,,,,28912,bmse010160,1
27,covalent,SING,C20,C37,,,,,28912,bmse010160,1
28,covalent,SING,C20,O52,,,,,28912,bmse010160,1
29,covalent,DOUB,C21,O41,,,,,28912,bmse010160,1
30,covalent,SING,C21,O51,,,,,28912,bmse010160,1
31,covalent,DOUB,C22,O42,,,,,28912,bmse010160,1
32,covalent,SING,C22,O52,,,,,28912,bmse010160,1
33,covalent,DOUB,C23,O43,,,,,28912,bmse010160,1
34,covalent,SING,C23,O53,,,,,28912,bmse010160,1
35,covalent,DOUB,C24,O44,,,,,28912,bmse010160,1
36,covalent,SING,C24,O54,,,,,28912,bmse010160,1
37,covalent,DOUB,C25,O45,,,,,28912,bmse010160,1
38,covalent,SING,C25,O55,,,,,28912,bmse010160,1
39,covalent,DOUB,C26,O46,,,,,28912,bmse010160,1
40,covalent,SING,C26,O56,,,,,28912,bmse010160,1
41,covalent,SING,C27,C30,,,,,28912,bmse010160,1
42,covalent,SING,C28,C38,,,,,28912,bmse010160,1
43,covalent,SING,C29,C39,,,,,28912,bmse010160,1
44,covalent,SING,C30,C38,,,,,28912,bmse010160,1
45,covalent,DOUB,C31,C33,,,,,28912,bmse010160,1
46,covalent,SING,C31,O53,,,,,28912,bmse010160,1
47,covalent,DOUB,C32,C34,,,,,28912,bmse010160,1
48,covalent,SING,C32,O57,,,,,28912,bmse010160,1
49,covalent,SING,C33,O47,,,,,28912,bmse010160,1
50,covalent,SING,C34,O48,,,,,28912,bmse010160,1
51,covalent,DOUB,C35,C40,,,,,28912,bmse010160,1
52,covalent,SING,C35,O49,,,,,28912,bmse010160,1
53,covalent,SING,C36,C40,,,,,28912,bmse010160,1
54,covalent,SING,C36,O50,,,,,28912,bmse010160,1
55,covalent,SING,C37,C39,,,,,28912,bmse010160,1
56,covalent,SING,C37,O57,,,,,28912,bmse010160,1
57,covalent,SING,C38,O54,,,,,28912,bmse010160,1
58,covalent,SING,C39,O55,,,,,28912,bmse010160,1
59,covalent,SING,C40,O56,,,,,28912,bmse010160,1
60,covalent,SING,C1,H60,,,,,28912,bmse010160,1
61,covalent,SING,C1,H59,,,,,28912,bmse010160,1
62,covalent,SING,C1,H58,,,,,28912,bmse010160,1
63,covalent,SING,C2,H62,,,,,28912,bmse010160,1
64,covalent,SING,C2,H61,,,,,28912,bmse010160,1
65,covalent,SING,C2,H63,,,,,28912,bmse010160,1
66,covalent,SING,C3,H65,,,,,28912,bmse010160,1
67,covalent,SING,C3,H64,,,,,28912,bmse010160,1
68,covalent,SING,C3,H66,,,,,28912,bmse010160,1
69,covalent,SING,C4,H68,,,,,28912,bmse010160,1
70,covalent,SING,C4,H67,,,,,28912,bmse010160,1
71,covalent,SING,C4,H69,,,,,28912,bmse010160,1
72,covalent,SING,C5,H71,,,,,28912,bmse010160,1
73,covalent,SING,C5,H70,,,,,28912,bmse010160,1
74,covalent,SING,C5,H72,,,,,28912,bmse010160,1
75,covalent,SING,C6,H74,,,,,28912,bmse010160,1
76,covalent,SING,C6,H73,,,,,28912,bmse010160,1
77,covalent,SING,C6,H75,,,,,28912,bmse010160,1
78,covalent,SING,C7,H77,,,,,28912,bmse010160,1
79,covalent,SING,C7,H78,,,,,28912,bmse010160,1
80,covalent,SING,C7,H76,,,,,28912,bmse010160,1
81,covalent,SING,C8,H81,,,,,28912,bmse010160,1
82,covalent,SING,C8,H79,,,,,28912,bmse010160,1
83,covalent,SING,C8,H80,,,,,28912,bmse010160,1
84,covalent,SING,C9,H82,,,,,28912,bmse010160,1
85,covalent,SING,C9,H84,,,,,28912,bmse010160,1
86,covalent,SING,C9,H83,,,,,28912,bmse010160,1
87,covalent,SING,C10,H86,,,,,28912,bmse010160,1
88,covalent,SING,C10,H87,,,,,28912,bmse010160,1
89,covalent,SING,C10,H85,,,,,28912,bmse010160,1
90,covalent,SING,C11,H88,,,,,28912,bmse010160,1
91,covalent,SING,C12,H89,,,,,28912,bmse010160,1
92,covalent,SING,C13,H90,,,,,28912,bmse010160,1
93,covalent,SING,C14,H91,,,,,28912,bmse010160,1
94,covalent,SING,C15,H92,,,,,28912,bmse010160,1
95,covalent,SING,C16,H93,,,,,28912,bmse010160,1
96,covalent,SING,C17,H94,,,,,28912,bmse010160,1
97,covalent,SING,C18,H95,,,,,28912,bmse010160,1
98,covalent,SING,C19,H96,,,,,28912,bmse010160,1
99,covalent,SING,C19,H97,,,,,28912,bmse010160,1
100,covalent,SING,C20,H98,,,,,28912,bmse010160,1
101,covalent,SING,C20,H99,,,,,28912,bmse010160,1
102,covalent,SING,C30,H100,,,,,28912,bmse010160,1
103,covalent,SING,C37,H101,,,,,28912,bmse010160,1
104,covalent,SING,C38,H102,,,,,28912,bmse010160,1
105,covalent,SING,C39,H103,,,,,28912,bmse010160,1
1,covalent,SING,C1,C18,,,,,28932,bmse010161,1
2,covalent,SING,C2,C19,,,,,28932,bmse010161,1
3,covalent,SING,C3,C20,,,,,28932,bmse010161,1
4,covalent,SING,C4,C21,,,,,28932,bmse010161,1
5,covalent,SING,C5,O33,,,,,28932,bmse010161,1
6,covalent,SING,C6,O34,,,,,28932,bmse010161,1
7,covalent,SING,C7,O35,,,,,28932,bmse010161,1
8,covalent,DOUB,C8,C11,,,,,28932,bmse010161,1
9,covalent,SING,C8,C18,,,,,28932,bmse010161,1
10,covalent,DOUB,C9,C12,,,,,28932,bmse010161,1
11,covalent,SING,C9,C19,,,,,28932,bmse010161,1
12,covalent,DOUB,C10,C13,,,,,28932,bmse010161,1
13,covalent,SING,C10,C22,,,,,28932,bmse010161,1
14,covalent,SING,C11,C24,,,,,28932,bmse010161,1
15,covalent,SING,C12,C25,,,,,28932,bmse010161,1
16,covalent,SING,C13,C23,,,,,28932,bmse010161,1
17,covalent,DOUB,C14,C18,,,,,28932,bmse010161,1
18,covalent,SING,C14,C26,,,,,28932,bmse010161,1
19,covalent,DOUB,C15,C19,,,,,28932,bmse010161,1
20,covalent,SING,C15,C27,,,,,28932,bmse010161,1
21,covalent,DOUB,C16,C22,,,,,28932,bmse010161,1
22,covalent,SING,C16,C28,,,,,28932,bmse010161,1
23,covalent,SING,C17,C29,,,,,28932,bmse010161,1
24,covalent,SING,C17,O36,,,,,28932,bmse010161,1
25,covalent,DOUB,C20,O31,,,,,28932,bmse010161,1
26,covalent,SING,C20,O36,,,,,28932,bmse010161,1
27,covalent,DOUB,C21,O32,,,,,28932,bmse010161,1
28,covalent,SING,C21,O37,,,,,28932,bmse010161,1
29,covalent,SING,C22,C30,,,,,28932,bmse010161,1
30,covalent,DOUB,C23,C28,,,,,28932,bmse010161,1
31,covalent,SING,C23,O37,,,,,28932,bmse010161,1
32,covalent,DOUB,C24,C26,,,,,28932,bmse010161,1
33,covalent,SING,C24,O38,,,,,28932,bmse010161,1
34,covalent,DOUB,C25,C27,,,,,28932,bmse010161,1
35,covalent,SING,C25,O39,,,,,28932,bmse010161,1
36,covalent,SING,C26,O33,,,,,28932,bmse010161,1
37,covalent,SING,C27,O34,,,,,28932,bmse010161,1
38,covalent,SING,C28,O35,,,,,28932,bmse010161,1
39,covalent,SING,C29,C30,,,,,28932,bmse010161,1
40,covalent,SING,C29,O38,,,,,28932,bmse010161,1
41,covalent,SING,C30,O39,,,,,28932,bmse010161,1
42,covalent,SING,C1,H40,,,,,28932,bmse010161,1
43,covalent,SING,C1,H41,,,,,28932,bmse010161,1
44,covalent,SING,C1,H42,,,,,28932,bmse010161,1
45,covalent,SING,C2,H45,,,,,28932,bmse010161,1
46,covalent,SING,C2,H44,,,,,28932,bmse010161,1
47,covalent,SING,C2,H43,,,,,28932,bmse010161,1
48,covalent,SING,C3,H46,,,,,28932,bmse010161,1
49,covalent,SING,C3,H47,,,,,28932,bmse010161,1
50,covalent,SING,C3,H48,,,,,28932,bmse010161,1
51,covalent,SING,C4,H50,,,,,28932,bmse010161,1
52,covalent,SING,C4,H49,,,,,28932,bmse010161,1
53,covalent,SING,C4,H51,,,,,28932,bmse010161,1
54,covalent,SING,C5,H53,,,,,28932,bmse010161,1
55,covalent,SING,C5,H54,,,,,28932,bmse010161,1
56,covalent,SING,C5,H52,,,,,28932,bmse010161,1
57,covalent,SING,C6,H55,,,,,28932,bmse010161,1
58,covalent,SING,C6,H57,,,,,28932,bmse010161,1
59,covalent,SING,C6,H56,,,,,28932,bmse010161,1
60,covalent,SING,C7,H60,,,,,28932,bmse010161,1
61,covalent,SING,C7,H59,,,,,28932,bmse010161,1
62,covalent,SING,C7,H58,,,,,28932,bmse010161,1
63,covalent,SING,C8,H61,,,,,28932,bmse010161,1
64,covalent,SING,C9,H62,,,,,28932,bmse010161,1
65,covalent,SING,C10,H63,,,,,28932,bmse010161,1
66,covalent,SING,C11,H64,,,,,28932,bmse010161,1
67,covalent,SING,C12,H65,,,,,28932,bmse010161,1
68,covalent,SING,C13,H66,,,,,28932,bmse010161,1
69,covalent,SING,C14,H67,,,,,28932,bmse010161,1
70,covalent,SING,C15,H68,,,,,28932,bmse010161,1
71,covalent,SING,C16,H69,,,,,28932,bmse010161,1
72,covalent,SING,C17,H70,,,,,28932,bmse010161,1
73,covalent,SING,C17,H71,,,,,28932,bmse010161,1
74,covalent,SING,C29,H72,,,,,28932,bmse010161,1
75,covalent,SING,C30,H73,,,,,28932,bmse010161,1
1,covalent,SING,C1,C12,,,,,28952,bmse010162,1
2,covalent,SING,C2,C13,,,,,28952,bmse010162,1
3,covalent,SING,C3,C14,,,,,28952,bmse010162,1
4,covalent,SING,C4,O24,,,,,28952,bmse010162,1
5,covalent,SING,C5,C7,,,,,28952,bmse010162,1
6,covalent,DOUB,C5,C15,,,,,28952,bmse010162,1
7,covalent,DOUB,C6,C8,,,,,28952,bmse010162,1
8,covalent,SING,C6,C15,,,,,28952,bmse010162,1
9,covalent,DOUB,C7,C16,,,,,28952,bmse010162,1
10,covalent,SING,C8,C16,,,,,28952,bmse010162,1
11,covalent,DOUB,C9,C12,,,,,28952,bmse010162,1
12,covalent,SING,C9,C17,,,,,28952,bmse010162,1
13,covalent,SING,C10,C12,,,,,28952,bmse010162,1
14,covalent,DOUB,C10,C19,,,,,28952,bmse010162,1
15,covalent,SING,C11,C18,,,,,28952,bmse010162,1
16,covalent,SING,C11,O25,,,,,28952,bmse010162,1
17,covalent,DOUB,C13,O22,,,,,28952,bmse010162,1
18,covalent,SING,C13,O25,,,,,28952,bmse010162,1
19,covalent,DOUB,C14,O23,,,,,28952,bmse010162,1
20,covalent,SING,C14,O26,,,,,28952,bmse010162,1
21,covalent,SING,C15,C20,,,,,28952,bmse010162,1
22,covalent,SING,C16,O26,,,,,28952,bmse010162,1
23,covalent,SING,C17,C18,,,,,28952,bmse010162,1
24,covalent,DOUB,C17,C21,,,,,28952,bmse010162,1
25,covalent,SING,C18,C20,,,,,28952,bmse010162,1
26,covalent,SING,C19,C21,,,,,28952,bmse010162,1
27,covalent,SING,C19,O24,,,,,28952,bmse010162,1
28,covalent,SING,C20,O27,,,,,28952,bmse010162,1
29,covalent,SING,C21,O27,,,,,28952,bmse010162,1
30,covalent,SING,C1,H28,,,,,28952,bmse010162,1
31,covalent,SING,C1,H29,,,,,28952,bmse010162,1
32,covalent,SING,C1,H30,,,,,28952,bmse010162,1
33,covalent,SING,C2,H31,,,,,28952,bmse010162,1
34,covalent,SING,C2,H32,,,,,28952,bmse010162,1
35,covalent,SING,C2,H33,,,,,28952,bmse010162,1
36,covalent,SING,C3,H34,,,,,28952,bmse010162,1
37,covalent,SING,C3,H35,,,,,28952,bmse010162,1
38,covalent,SING,C3,H36,,,,,28952,bmse010162,1
39,covalent,SING,C4,H37,,,,,28952,bmse010162,1
40,covalent,SING,C4,H38,,,,,28952,bmse010162,1
41,covalent,SING,C4,H39,,,,,28952,bmse010162,1
42,covalent,SING,C5,H40,,,,,28952,bmse010162,1
43,covalent,SING,C6,H41,,,,,28952,bmse010162,1
44,covalent,SING,C7,H42,,,,,28952,bmse010162,1
45,covalent,SING,C8,H43,,,,,28952,bmse010162,1
46,covalent,SING,C9,H44,,,,,28952,bmse010162,1
47,covalent,SING,C10,H45,,,,,28952,bmse010162,1
48,covalent,SING,C11,H46,,,,,28952,bmse010162,1
49,covalent,SING,C11,H47,,,,,28952,bmse010162,1
50,covalent,SING,C18,H48,,,,,28952,bmse010162,1
51,covalent,SING,C20,H49,,,,,28952,bmse010162,1
1,covalent,SING,C1,C13,,,,,28972,bmse010163,1
2,covalent,SING,C2,C14,,,,,28972,bmse010163,1
3,covalent,SING,C3,C15,,,,,28972,bmse010163,1
4,covalent,SING,C4,O28,,,,,28972,bmse010163,1
5,covalent,SING,C5,O29,,,,,28972,bmse010163,1
6,covalent,SING,C6,O30,,,,,28972,bmse010163,1
7,covalent,SING,C7,O31,,,,,28972,bmse010163,1
8,covalent,DOUB,C8,C13,,,,,28972,bmse010163,1
9,covalent,SING,C8,C17,,,,,28972,bmse010163,1
10,covalent,SING,C9,C13,,,,,28972,bmse010163,1
11,covalent,DOUB,C9,C18,,,,,28972,bmse010163,1
12,covalent,DOUB,C10,C16,,,,,28972,bmse010163,1
13,covalent,SING,C10,C19,,,,,28972,bmse010163,1
14,covalent,SING,C11,C16,,,,,28972,bmse010163,1
15,covalent,DOUB,C11,C20,,,,,28972,bmse010163,1
16,covalent,SING,C12,C21,,,,,28972,bmse010163,1
17,covalent,SING,C12,O32,,,,,28972,bmse010163,1
18,covalent,DOUB,C14,O25,,,,,28972,bmse010163,1
19,covalent,SING,C14,O32,,,,,28972,bmse010163,1
20,covalent,DOUB,C15,O26,,,,,28972,bmse010163,1
21,covalent,SING,C15,O33,,,,,28972,bmse010163,1
22,covalent,SING,C16,C22,,,,,28972,bmse010163,1
23,covalent,DOUB,C17,C24,,,,,28972,bmse010163,1
24,covalent,SING,C17,O28,,,,,28972,bmse010163,1
25,covalent,SING,C18,C24,,,,,28972,bmse010163,1
26,covalent,SING,C18,O29,,,,,28972,bmse010163,1
27,covalent,DOUB,C19,C23,,,,,28972,bmse010163,1
28,covalent,SING,C19,O30,,,,,28972,bmse010163,1
29,covalent,SING,C20,C23,,,,,28972,bmse010163,1
30,covalent,SING,C20,O31,,,,,28972,bmse010163,1
31,covalent,SING,C21,C22,,,,,28972,bmse010163,1
32,covalent,SING,C21,O34,,,,,28972,bmse010163,1
33,covalent,DOUB,C22,O27,,,,,28972,bmse010163,1
34,covalent,SING,C23,O33,,,,,28972,bmse010163,1
35,covalent,SING,C24,O34,,,,,28972,bmse010163,1
36,covalent,SING,C1,H36,,,,,28972,bmse010163,1
37,covalent,SING,C1,H35,,,,,28972,bmse010163,1
38,covalent,SING,C1,H37,,,,,28972,bmse010163,1
39,covalent,SING,C2,H38,,,,,28972,bmse010163,1
40,covalent,SING,C2,H39,,,,,28972,bmse010163,1
41,covalent,SING,C2,H40,,,,,28972,bmse010163,1
42,covalent,SING,C3,H43,,,,,28972,bmse010163,1
43,covalent,SING,C3,H42,,,,,28972,bmse010163,1
44,covalent,SING,C3,H41,,,,,28972,bmse010163,1
45,covalent,SING,C4,H44,,,,,28972,bmse010163,1
46,covalent,SING,C4,H46,,,,,28972,bmse010163,1
47,covalent,SING,C4,H45,,,,,28972,bmse010163,1
48,covalent,SING,C5,H48,,,,,28972,bmse010163,1
49,covalent,SING,C5,H47,,,,,28972,bmse010163,1
50,covalent,SING,C5,H49,,,,,28972,bmse010163,1
51,covalent,SING,C6,H50,,,,,28972,bmse010163,1
52,covalent,SING,C6,H51,,,,,28972,bmse010163,1
53,covalent,SING,C6,H52,,,,,28972,bmse010163,1
54,covalent,SING,C7,H54,,,,,28972,bmse010163,1
55,covalent,SING,C7,H55,,,,,28972,bmse010163,1
56,covalent,SING,C7,H53,,,,,28972,bmse010163,1
57,covalent,SING,C8,H56,,,,,28972,bmse010163,1
58,covalent,SING,C9,H57,,,,,28972,bmse010163,1
59,covalent,SING,C10,H58,,,,,28972,bmse010163,1
60,covalent,SING,C11,H59,,,,,28972,bmse010163,1
61,covalent,SING,C12,H60,,,,,28972,bmse010163,1
62,covalent,SING,C12,H61,,,,,28972,bmse010163,1
63,covalent,SING,C21,H62,,,,,28972,bmse010163,1
1,covalent,SING,C1,C11,,,,,28992,bmse010164,1
2,covalent,SING,C2,C12,,,,,28992,bmse010164,1
3,covalent,SING,C3,C13,,,,,28992,bmse010164,1
4,covalent,SING,C4,C14,,,,,28992,bmse010164,1
5,covalent,SING,C5,O23,,,,,28992,bmse010164,1
6,covalent,SING,C6,O24,,,,,28992,bmse010164,1
7,covalent,DOUB,C7,C11,,,,,28992,bmse010164,1
8,covalent,SING,C7,C15,,,,,28992,bmse010164,1
9,covalent,DOUB,C8,C12,,,,,28992,bmse010164,1
10,covalent,SING,C8,C16,,,,,28992,bmse010164,1
11,covalent,SING,C9,C11,,,,,28992,bmse010164,1
12,covalent,DOUB,C9,C17,,,,,28992,bmse010164,1
13,covalent,SING,C10,C12,,,,,28992,bmse010164,1
14,covalent,DOUB,C10,C18,,,,,28992,bmse010164,1
15,covalent,DOUB,C13,O21,,,,,28992,bmse010164,1
16,covalent,SING,C13,O25,,,,,28992,bmse010164,1
17,covalent,DOUB,C14,O22,,,,,28992,bmse010164,1
18,covalent,SING,C14,O26,,,,,28992,bmse010164,1
19,covalent,SING,C15,C16,,,,,28992,bmse010164,1
20,covalent,DOUB,C15,C19,,,,,28992,bmse010164,1
21,covalent,DOUB,C16,C20,,,,,28992,bmse010164,1
22,covalent,SING,C17,C19,,,,,28992,bmse010164,1
23,covalent,SING,C17,O23,,,,,28992,bmse010164,1
24,covalent,SING,C18,C20,,,,,28992,bmse010164,1
25,covalent,SING,C18,O24,,,,,28992,bmse010164,1
26,covalent,SING,C19,O25,,,,,28992,bmse010164,1
27,covalent,SING,C20,O26,,,,,28992,bmse010164,1
28,covalent,SING,C1,H28,,,,,28992,bmse010164,1
29,covalent,SING,C1,H29,,,,,28992,bmse010164,1
30,covalent,SING,C1,H27,,,,,28992,bmse010164,1
31,covalent,SING,C2,H31,,,,,28992,bmse010164,1
32,covalent,SING,C2,H30,,,,,28992,bmse010164,1
33,covalent,SING,C2,H32,,,,,28992,bmse010164,1
34,covalent,SING,C3,H35,,,,,28992,bmse010164,1
35,covalent,SING,C3,H34,,,,,28992,bmse010164,1
36,covalent,SING,C3,H33,,,,,28992,bmse010164,1
37,covalent,SING,C4,H36,,,,,28992,bmse010164,1
38,covalent,SING,C4,H37,,,,,28992,bmse010164,1
39,covalent,SING,C4,H38,,,,,28992,bmse010164,1
40,covalent,SING,C5,H39,,,,,28992,bmse010164,1
41,covalent,SING,C5,H40,,,,,28992,bmse010164,1
42,covalent,SING,C5,H41,,,,,28992,bmse010164,1
43,covalent,SING,C6,H44,,,,,28992,bmse010164,1
44,covalent,SING,C6,H43,,,,,28992,bmse010164,1
45,covalent,SING,C6,H42,,,,,28992,bmse010164,1
46,covalent,SING,C7,H45,,,,,28992,bmse010164,1
47,covalent,SING,C8,H46,,,,,28992,bmse010164,1
48,covalent,SING,C9,H47,,,,,28992,bmse010164,1
49,covalent,SING,C10,H48,,,,,28992,bmse010164,1
1,covalent,SING,C1,C21,,,,,29012,bmse010165,1
2,covalent,SING,C2,C22,,,,,29012,bmse010165,1
3,covalent,SING,C3,C23,,,,,29012,bmse010165,1
4,covalent,SING,C4,C24,,,,,29012,bmse010165,1
5,covalent,SING,C5,C25,,,,,29012,bmse010165,1
6,covalent,SING,C6,C26,,,,,29012,bmse010165,1
7,covalent,SING,C7,O46,,,,,29012,bmse010165,1
8,covalent,SING,C8,O47,,,,,29012,bmse010165,1
9,covalent,SING,C9,O48,,,,,29012,bmse010165,1
10,covalent,SING,C10,O49,,,,,29012,bmse010165,1
11,covalent,SING,C11,O50,,,,,29012,bmse010165,1
12,covalent,DOUB,C12,C13,,,,,29012,bmse010165,1
13,covalent,SING,C12,C27,,,,,29012,bmse010165,1
14,covalent,SING,C13,C29,,,,,29012,bmse010165,1
15,covalent,DOUB,C14,C21,,,,,29012,bmse010165,1
16,covalent,SING,C14,C31,,,,,29012,bmse010165,1
17,covalent,SING,C15,C21,,,,,29012,bmse010165,1
18,covalent,DOUB,C15,C32,,,,,29012,bmse010165,1
19,covalent,DOUB,C16,C27,,,,,29012,bmse010165,1
20,covalent,SING,C16,C30,,,,,29012,bmse010165,1
21,covalent,DOUB,C17,C28,,,,,29012,bmse010165,1
22,covalent,SING,C17,C33,,,,,29012,bmse010165,1
23,covalent,SING,C18,C28,,,,,29012,bmse010165,1
24,covalent,DOUB,C18,C34,,,,,29012,bmse010165,1
25,covalent,SING,C19,C35,,,,,29012,bmse010165,1
26,covalent,SING,C19,O51,,,,,29012,bmse010165,1
27,covalent,SING,C20,C36,,,,,29012,bmse010165,1
28,covalent,SING,C20,O52,,,,,29012,bmse010165,1
29,covalent,DOUB,C22,O41,,,,,29012,bmse010165,1
30,covalent,SING,C22,O51,,,,,29012,bmse010165,1
31,covalent,DOUB,C23,O42,,,,,29012,bmse010165,1
32,covalent,SING,C23,O52,,,,,29012,bmse010165,1
33,covalent,DOUB,C24,O43,,,,,29012,bmse010165,1
34,covalent,SING,C24,O53,,,,,29012,bmse010165,1
35,covalent,DOUB,C25,O44,,,,,29012,bmse010165,1
36,covalent,SING,C25,O54,,,,,29012,bmse010165,1
37,covalent,DOUB,C26,O45,,,,,29012,bmse010165,1
38,covalent,SING,C26,O55,,,,,29012,bmse010165,1
39,covalent,SING,C27,C37,,,,,29012,bmse010165,1
40,covalent,SING,C28,C38,,,,,29012,bmse010165,1
41,covalent,DOUB,C29,C30,,,,,29012,bmse010165,1
42,covalent,SING,C29,O53,,,,,29012,bmse010165,1
43,covalent,SING,C30,O46,,,,,29012,bmse010165,1
44,covalent,DOUB,C31,C39,,,,,29012,bmse010165,1
45,covalent,SING,C31,O47,,,,,29012,bmse010165,1
46,covalent,SING,C32,C39,,,,,29012,bmse010165,1
47,covalent,SING,C32,O48,,,,,29012,bmse010165,1
48,covalent,DOUB,C33,C40,,,,,29012,bmse010165,1
49,covalent,SING,C33,O49,,,,,29012,bmse010165,1
50,covalent,SING,C34,C40,,,,,29012,bmse010165,1
51,covalent,SING,C34,O50,,,,,29012,bmse010165,1
52,covalent,SING,C35,C37,,,,,29012,bmse010165,1
53,covalent,SING,C35,O56,,,,,29012,bmse010165,1
54,covalent,SING,C36,C38,,,,,29012,bmse010165,1
55,covalent,SING,C36,O57,,,,,29012,bmse010165,1
56,covalent,SING,C37,O54,,,,,29012,bmse010165,1
57,covalent,SING,C38,O55,,,,,29012,bmse010165,1
58,covalent,SING,C39,O57,,,,,29012,bmse010165,1
59,covalent,SING,C40,O56,,,,,29012,bmse010165,1
60,covalent,SING,C1,H58,,,,,29012,bmse010165,1
61,covalent,SING,C1,H60,,,,,29012,bmse010165,1
62,covalent,SING,C1,H59,,,,,29012,bmse010165,1
63,covalent,SING,C2,H61,,,,,29012,bmse010165,1
64,covalent,SING,C2,H62,,,,,29012,bmse010165,1
65,covalent,SING,C2,H63,,,,,29012,bmse010165,1
66,covalent,SING,C3,H65,,,,,29012,bmse010165,1
67,covalent,SING,C3,H66,,,,,29012,bmse010165,1
68,covalent,SING,C3,H64,,,,,29012,bmse010165,1
69,covalent,SING,C4,H68,,,,,29012,bmse010165,1
70,covalent,SING,C4,H67,,,,,29012,bmse010165,1
71,covalent,SING,C4,H69,,,,,29012,bmse010165,1
72,covalent,SING,C5,H71,,,,,29012,bmse010165,1
73,covalent,SING,C5,H72,,,,,29012,bmse010165,1
74,covalent,SING,C5,H70,,,,,29012,bmse010165,1
75,covalent,SING,C6,H75,,,,,29012,bmse010165,1
76,covalent,SING,C6,H73,,,,,29012,bmse010165,1
77,covalent,SING,C6,H74,,,,,29012,bmse010165,1
78,covalent,SING,C7,H76,,,,,29012,bmse010165,1
79,covalent,SING,C7,H77,,,,,29012,bmse010165,1
80,covalent,SING,C7,H78,,,,,29012,bmse010165,1
81,covalent,SING,C8,H79,,,,,29012,bmse010165,1
82,covalent,SING,C8,H80,,,,,29012,bmse010165,1
83,covalent,SING,C8,H81,,,,,29012,bmse010165,1
84,covalent,SING,C9,H83,,,,,29012,bmse010165,1
85,covalent,SING,C9,H82,,,,,29012,bmse010165,1
86,covalent,SING,C9,H84,,,,,29012,bmse010165,1
87,covalent,SING,C10,H87,,,,,29012,bmse010165,1
88,covalent,SING,C10,H86,,,,,29012,bmse010165,1
89,covalent,SING,C10,H85,,,,,29012,bmse010165,1
90,covalent,SING,C11,H90,,,,,29012,bmse010165,1
91,covalent,SING,C11,H89,,,,,29012,bmse010165,1
92,covalent,SING,C11,H88,,,,,29012,bmse010165,1
93,covalent,SING,C12,H91,,,,,29012,bmse010165,1
94,covalent,SING,C13,H92,,,,,29012,bmse010165,1
95,covalent,SING,C14,H93,,,,,29012,bmse010165,1
96,covalent,SING,C15,H94,,,,,29012,bmse010165,1
97,covalent,SING,C16,H95,,,,,29012,bmse010165,1
98,covalent,SING,C17,H96,,,,,29012,bmse010165,1
99,covalent,SING,C18,H97,,,,,29012,bmse010165,1
100,covalent,SING,C19,H98,,,,,29012,bmse010165,1
101,covalent,SING,C19,H99,,,,,29012,bmse010165,1
102,covalent,SING,C20,H100,,,,,29012,bmse010165,1
103,covalent,SING,C20,H101,,,,,29012,bmse010165,1
104,covalent,SING,C35,H102,,,,,29012,bmse010165,1
105,covalent,SING,C36,H103,,,,,29012,bmse010165,1
106,covalent,SING,C37,H104,,,,,29012,bmse010165,1
107,covalent,SING,C38,H105,,,,,29012,bmse010165,1
1,covalent,SING,C1,C19,,,,,29032,bmse010166,1
2,covalent,SING,C2,O29,,,,,29032,bmse010166,1
3,covalent,DOUB,C3,C4,,,,,29032,bmse010166,1
4,covalent,SING,C3,C5,,,,,29032,bmse010166,1
5,covalent,SING,C4,C7,,,,,29032,bmse010166,1
6,covalent,DOUB,C5,C8,,,,,29032,bmse010166,1
7,covalent,SING,C6,C9,,,,,29032,bmse010166,1
8,covalent,SING,C6,C16,,,,,29032,bmse010166,1
9,covalent,DOUB,C7,C21,,,,,29032,bmse010166,1
10,covalent,SING,C8,C21,,,,,29032,bmse010166,1
11,covalent,SING,C9,C20,,,,,29032,bmse010166,1
12,covalent,DOUB,C10,C15,,,,,29032,bmse010166,1
13,covalent,SING,C10,C20,,,,,29032,bmse010166,1
14,covalent,SING,C11,C13,,,,,29032,bmse010166,1
15,covalent,DOUB,C11,C22,,,,,29032,bmse010166,1
16,covalent,DOUB,C12,C14,,,,,29032,bmse010166,1
17,covalent,SING,C12,C22,,,,,29032,bmse010166,1
18,covalent,DOUB,C13,C23,,,,,29032,bmse010166,1
19,covalent,SING,C14,C23,,,,,29032,bmse010166,1
20,covalent,SING,C15,C24,,,,,29032,bmse010166,1
21,covalent,SING,C16,O30,,,,,29032,bmse010166,1
22,covalent,DOUB,C17,C20,,,,,29032,bmse010166,1
23,covalent,SING,C17,C25,,,,,29032,bmse010166,1
24,covalent,SING,C18,C21,,,,,29032,bmse010166,1
25,covalent,SING,C18,O31,,,,,29032,bmse010166,1
26,covalent,DOUB,C19,O27,,,,,29032,bmse010166,1
27,covalent,SING,C19,O32,,,,,29032,bmse010166,1
28,covalent,SING,C22,C26,,,,,29032,bmse010166,1
29,covalent,SING,C23,O32,,,,,29032,bmse010166,1
30,covalent,DOUB,C24,C25,,,,,29032,bmse010166,1
31,covalent,SING,C24,O31,,,,,29032,bmse010166,1
32,covalent,SING,C25,O29,,,,,29032,bmse010166,1
33,covalent,DOUB,C26,O28,,,,,29032,bmse010166,1
34,covalent,SING,C26,O30,,,,,29032,bmse010166,1
35,covalent,SING,C1,H33,,,,,29032,bmse010166,1
36,covalent,SING,C1,H34,,,,,29032,bmse010166,1
37,covalent,SING,C1,H35,,,,,29032,bmse010166,1
38,covalent,SING,C2,H36,,,,,29032,bmse010166,1
39,covalent,SING,C2,H37,,,,,29032,bmse010166,1
40,covalent,SING,C2,H38,,,,,29032,bmse010166,1
41,covalent,SING,C3,H39,,,,,29032,bmse010166,1
42,covalent,SING,C4,H40,,,,,29032,bmse010166,1
43,covalent,SING,C5,H41,,,,,29032,bmse010166,1
44,covalent,SING,C6,H42,,,,,29032,bmse010166,1
45,covalent,SING,C6,H43,,,,,29032,bmse010166,1
46,covalent,SING,C7,H44,,,,,29032,bmse010166,1
47,covalent,SING,C8,H45,,,,,29032,bmse010166,1
48,covalent,SING,C9,H46,,,,,29032,bmse010166,1
49,covalent,SING,C9,H47,,,,,29032,bmse010166,1
50,covalent,SING,C10,H48,,,,,29032,bmse010166,1
51,covalent,SING,C11,H49,,,,,29032,bmse010166,1
52,covalent,SING,C12,H50,,,,,29032,bmse010166,1
53,covalent,SING,C13,H51,,,,,29032,bmse010166,1
54,covalent,SING,C14,H52,,,,,29032,bmse010166,1
55,covalent,SING,C15,H53,,,,,29032,bmse010166,1
56,covalent,SING,C16,H54,,,,,29032,bmse010166,1
57,covalent,SING,C16,H55,,,,,29032,bmse010166,1
58,covalent,SING,C17,H56,,,,,29032,bmse010166,1
59,covalent,SING,C18,H57,,,,,29032,bmse010166,1
60,covalent,SING,C18,H58,,,,,29032,bmse010166,1
1,covalent,SING,C1,C18,,,,,29046,bmse010167,1
2,covalent,SING,C2,C19,,,,,29046,bmse010167,1
3,covalent,SING,C3,O33,,,,,29046,bmse010167,1
4,covalent,DOUB,C4,C5,,,,,29046,bmse010167,1
5,covalent,SING,C4,C16,,,,,29046,bmse010167,1
6,covalent,SING,C5,C20,,,,,29046,bmse010167,1
7,covalent,DOUB,C6,C15,,,,,29046,bmse010167,1
8,covalent,SING,C6,C20,,,,,29046,bmse010167,1
9,covalent,SING,C7,C11,,,,,29046,bmse010167,1
10,covalent,DOUB,C7,C21,,,,,29046,bmse010167,1
11,covalent,DOUB,C8,C12,,,,,29046,bmse010167,1
12,covalent,SING,C8,C21,,,,,29046,bmse010167,1
13,covalent,SING,C9,C13,,,,,29046,bmse010167,1
14,covalent,DOUB,C9,C22,,,,,29046,bmse010167,1
15,covalent,DOUB,C10,C14,,,,,29046,bmse010167,1
16,covalent,SING,C10,C22,,,,,29046,bmse010167,1
17,covalent,DOUB,C11,C23,,,,,29046,bmse010167,1
18,covalent,SING,C12,C23,,,,,29046,bmse010167,1
19,covalent,DOUB,C13,C24,,,,,29046,bmse010167,1
20,covalent,SING,C14,C24,,,,,29046,bmse010167,1
21,covalent,SING,C15,C25,,,,,29046,bmse010167,1
22,covalent,SING,C16,O34,,,,,29046,bmse010167,1
23,covalent,DOUB,C17,C20,,,,,29046,bmse010167,1
24,covalent,SING,C17,C26,,,,,29046,bmse010167,1
25,covalent,DOUB,C18,O29,,,,,29046,bmse010167,1
26,covalent,SING,C18,O35,,,,,29046,bmse010167,1
27,covalent,DOUB,C19,O30,,,,,29046,bmse010167,1
28,covalent,SING,C19,O36,,,,,29046,bmse010167,1
29,covalent,SING,C21,C27,,,,,29046,bmse010167,1
30,covalent,SING,C22,C28,,,,,29046,bmse010167,1
31,covalent,SING,C23,O35,,,,,29046,bmse010167,1
32,covalent,SING,C24,O36,,,,,29046,bmse010167,1
33,covalent,DOUB,C25,C26,,,,,29046,bmse010167,1
34,covalent,SING,C25,O37,,,,,29046,bmse010167,1
35,covalent,SING,C26,O33,,,,,29046,bmse010167,1
36,covalent,DOUB,C27,O31,,,,,29046,bmse010167,1
37,covalent,SING,C27,O34,,,,,29046,bmse010167,1
38,covalent,DOUB,C28,O32,,,,,29046,bmse010167,1
39,covalent,SING,C28,O37,,,,,29046,bmse010167,1
40,covalent,SING,C1,H38,,,,,29046,bmse010167,1
41,covalent,SING,C1,H39,,,,,29046,bmse010167,1
42,covalent,SING,C1,H40,,,,,29046,bmse010167,1
43,covalent,SING,C2,H41,,,,,29046,bmse010167,1
44,covalent,SING,C2,H42,,,,,29046,bmse010167,1
45,covalent,SING,C2,H43,,,,,29046,bmse010167,1
46,covalent,SING,C3,H44,,,,,29046,bmse010167,1
47,covalent,SING,C3,H45,,,,,29046,bmse010167,1
48,covalent,SING,C3,H46,,,,,29046,bmse010167,1
49,covalent,SING,C4,H47,,,,,29046,bmse010167,1
50,covalent,SING,C5,H48,,,,,29046,bmse010167,1
51,covalent,SING,C6,H49,,,,,29046,bmse010167,1
52,covalent,SING,C7,H50,,,,,29046,bmse010167,1
53,covalent,SING,C8,H51,,,,,29046,bmse010167,1
54,covalent,SING,C9,H52,,,,,29046,bmse010167,1
55,covalent,SING,C10,H53,,,,,29046,bmse010167,1
56,covalent,SING,C11,H54,,,,,29046,bmse010167,1
57,covalent,SING,C12,H55,,,,,29046,bmse010167,1
58,covalent,SING,C13,H56,,,,,29046,bmse010167,1
59,covalent,SING,C14,H57,,,,,29046,bmse010167,1
60,covalent,SING,C15,H58,,,,,29046,bmse010167,1
61,covalent,SING,C16,H59,,,,,29046,bmse010167,1
62,covalent,SING,C16,H60,,,,,29046,bmse010167,1
63,covalent,SING,C17,H61,,,,,29046,bmse010167,1
1,covalent,SING,C1,C13,,,,,29060,bmse010168,1
2,covalent,SING,C2,O23,,,,,29060,bmse010168,1
3,covalent,DOUB,C3,C4,,,,,29060,bmse010168,1
4,covalent,SING,C3,C11,,,,,29060,bmse010168,1
5,covalent,SING,C4,C14,,,,,29060,bmse010168,1
6,covalent,DOUB,C5,C10,,,,,29060,bmse010168,1
7,covalent,SING,C5,C14,,,,,29060,bmse010168,1
8,covalent,SING,C6,C8,,,,,29060,bmse010168,1
9,covalent,DOUB,C6,C15,,,,,29060,bmse010168,1
10,covalent,DOUB,C7,C9,,,,,29060,bmse010168,1
11,covalent,SING,C7,C15,,,,,29060,bmse010168,1
12,covalent,DOUB,C8,C16,,,,,29060,bmse010168,1
13,covalent,SING,C9,C16,,,,,29060,bmse010168,1
14,covalent,SING,C10,C17,,,,,29060,bmse010168,1
15,covalent,SING,C11,O24,,,,,29060,bmse010168,1
16,covalent,DOUB,C12,C14,,,,,29060,bmse010168,1
17,covalent,SING,C12,C18,,,,,29060,bmse010168,1
18,covalent,DOUB,C13,O20,,,,,29060,bmse010168,1
19,covalent,SING,C13,O25,,,,,29060,bmse010168,1
20,covalent,SING,C15,C19,,,,,29060,bmse010168,1
21,covalent,SING,C16,O25,,,,,29060,bmse010168,1
22,covalent,DOUB,C17,C18,,,,,29060,bmse010168,1
23,covalent,SING,C17,O21,,,,,29060,bmse010168,1
24,covalent,SING,C18,O23,,,,,29060,bmse010168,1
25,covalent,DOUB,C19,O22,,,,,29060,bmse010168,1
26,covalent,SING,C19,O24,,,,,29060,bmse010168,1
27,covalent,SING,C1,H27,,,,,29060,bmse010168,1
28,covalent,SING,C1,H28,,,,,29060,bmse010168,1
29,covalent,SING,C1,H26,,,,,29060,bmse010168,1
30,covalent,SING,C2,H29,,,,,29060,bmse010168,1
31,covalent,SING,C2,H30,,,,,29060,bmse010168,1
32,covalent,SING,C2,H31,,,,,29060,bmse010168,1
33,covalent,SING,C3,H32,,,,,29060,bmse010168,1
34,covalent,SING,C4,H33,,,,,29060,bmse010168,1
35,covalent,SING,C5,H34,,,,,29060,bmse010168,1
36,covalent,SING,C6,H35,,,,,29060,bmse010168,1
37,covalent,SING,C7,H36,,,,,29060,bmse010168,1
38,covalent,SING,C8,H37,,,,,29060,bmse010168,1
39,covalent,SING,C9,H38,,,,,29060,bmse010168,1
40,covalent,SING,C10,H39,,,,,29060,bmse010168,1
41,covalent,SING,C11,H40,,,,,29060,bmse010168,1
42,covalent,SING,C11,H41,,,,,29060,bmse010168,1
43,covalent,SING,C12,H42,,,,,29060,bmse010168,1
44,covalent,SING,O21,H43,,,,,29060,bmse010168,1
1,covalent,SING,C1,C13,,,,,29074,bmse010169,1
2,covalent,SING,C2,O23,,,,,29074,bmse010169,1
3,covalent,DOUB,C3,C4,,,,,29074,bmse010169,1
4,covalent,SING,C3,C11,,,,,29074,bmse010169,1
5,covalent,SING,C4,C14,,,,,29074,bmse010169,1
6,covalent,DOUB,C5,C10,,,,,29074,bmse010169,1
7,covalent,SING,C5,C14,,,,,29074,bmse010169,1
8,covalent,SING,C6,C8,,,,,29074,bmse010169,1
9,covalent,DOUB,C6,C15,,,,,29074,bmse010169,1
10,covalent,DOUB,C7,C9,,,,,29074,bmse010169,1
11,covalent,SING,C7,C15,,,,,29074,bmse010169,1
12,covalent,DOUB,C8,C16,,,,,29074,bmse010169,1
13,covalent,SING,C9,C16,,,,,29074,bmse010169,1
14,covalent,SING,C10,C17,,,,,29074,bmse010169,1
15,covalent,SING,C11,O20,,,,,29074,bmse010169,1
16,covalent,DOUB,C12,C14,,,,,29074,bmse010169,1
17,covalent,SING,C12,C18,,,,,29074,bmse010169,1
18,covalent,DOUB,C13,O21,,,,,29074,bmse010169,1
19,covalent,SING,C13,O24,,,,,29074,bmse010169,1
20,covalent,SING,C15,C19,,,,,29074,bmse010169,1
21,covalent,SING,C16,O24,,,,,29074,bmse010169,1
22,covalent,DOUB,C17,C18,,,,,29074,bmse010169,1
23,covalent,SING,C17,O25,,,,,29074,bmse010169,1
24,covalent,SING,C18,O23,,,,,29074,bmse010169,1
25,covalent,DOUB,C19,O22,,,,,29074,bmse010169,1
26,covalent,SING,C19,O25,,,,,29074,bmse010169,1
27,covalent,SING,C1,H28,,,,,29074,bmse010169,1
28,covalent,SING,C1,H27,,,,,29074,bmse010169,1
29,covalent,SING,C1,H26,,,,,29074,bmse010169,1
30,covalent,SING,C2,H30,,,,,29074,bmse010169,1
31,covalent,SING,C2,H29,,,,,29074,bmse010169,1
32,covalent,SING,C2,H31,,,,,29074,bmse010169,1
33,covalent,SING,C3,H32,,,,,29074,bmse010169,1
34,covalent,SING,C4,H33,,,,,29074,bmse010169,1
35,covalent,SING,C5,H34,,,,,29074,bmse010169,1
36,covalent,SING,C6,H35,,,,,29074,bmse010169,1
37,covalent,SING,C7,H36,,,,,29074,bmse010169,1
38,covalent,SING,C8,H37,,,,,29074,bmse010169,1
39,covalent,SING,C9,H38,,,,,29074,bmse010169,1
40,covalent,SING,C10,H39,,,,,29074,bmse010169,1
41,covalent,SING,C11,H40,,,,,29074,bmse010169,1
42,covalent,SING,C11,H41,,,,,29074,bmse010169,1
43,covalent,SING,C12,H42,,,,,29074,bmse010169,1
44,covalent,SING,O20,H43,,,,,29074,bmse010169,1
1,covalent,SING,C1,O21,,,,,29088,bmse010170,1
2,covalent,SING,C2,O22,,,,,29088,bmse010170,1
3,covalent,DOUB,C3,C4,,,,,29088,bmse010170,1
4,covalent,SING,C3,C7,,,,,29088,bmse010170,1
5,covalent,SING,C4,C11,,,,,29088,bmse010170,1
6,covalent,DOUB,C5,C6,,,,,29088,bmse010170,1
7,covalent,SING,C5,C11,,,,,29088,bmse010170,1
8,covalent,SING,C6,C14,,,,,29088,bmse010170,1
9,covalent,SING,C7,O18,,,,,29088,bmse010170,1
10,covalent,DOUB,C8,C11,,,,,29088,bmse010170,1
11,covalent,SING,C8,C17,,,,,29088,bmse010170,1
12,covalent,SING,C9,C13,,,,,29088,bmse010170,1
13,covalent,DOUB,C9,C15,,,,,29088,bmse010170,1
14,covalent,SING,C10,C12,,,,,29088,bmse010170,1
15,covalent,DOUB,C10,C16,,,,,29088,bmse010170,1
16,covalent,SING,C12,C15,,,,,29088,bmse010170,1
17,covalent,DOUB,C12,O19,,,,,29088,bmse010170,1
18,covalent,SING,C13,C16,,,,,29088,bmse010170,1
19,covalent,DOUB,C13,O20,,,,,29088,bmse010170,1
20,covalent,DOUB,C14,C17,,,,,29088,bmse010170,1
21,covalent,SING,C14,O23,,,,,29088,bmse010170,1
22,covalent,SING,C15,O21,,,,,29088,bmse010170,1
23,covalent,SING,C16,O23,,,,,29088,bmse010170,1
24,covalent,SING,C17,O22,,,,,29088,bmse010170,1
25,covalent,SING,C1,H26,,,,,29088,bmse010170,1
26,covalent,SING,C1,H25,,,,,29088,bmse010170,1
27,covalent,SING,C1,H24,,,,,29088,bmse010170,1
28,covalent,SING,C2,H27,,,,,29088,bmse010170,1
29,covalent,SING,C2,H29,,,,,29088,bmse010170,1
30,covalent,SING,C2,H28,,,,,29088,bmse010170,1
31,covalent,SING,C3,H30,,,,,29088,bmse010170,1
32,covalent,SING,C4,H31,,,,,29088,bmse010170,1
33,covalent,SING,C5,H32,,,,,29088,bmse010170,1
34,covalent,SING,C6,H33,,,,,29088,bmse010170,1
35,covalent,SING,C7,H34,,,,,29088,bmse010170,1
36,covalent,SING,C7,H35,,,,,29088,bmse010170,1
37,covalent,SING,C8,H36,,,,,29088,bmse010170,1
38,covalent,SING,C9,H37,,,,,29088,bmse010170,1
39,covalent,SING,C10,H38,,,,,29088,bmse010170,1
40,covalent,SING,O18,H39,,,,,29088,bmse010170,1
1,covalent,SING,C1,C21,,,,,29102,bmse010171,1
2,covalent,SING,C2,C22,,,,,29102,bmse010171,1
3,covalent,SING,C3,C23,,,,,29102,bmse010171,1
4,covalent,SING,C4,O39,,,,,29102,bmse010171,1
5,covalent,SING,C5,O40,,,,,29102,bmse010171,1
6,covalent,SING,C6,O41,,,,,29102,bmse010171,1
7,covalent,DOUB,C7,C8,,,,,29102,bmse010171,1
8,covalent,SING,C7,C15,,,,,29102,bmse010171,1
9,covalent,SING,C8,C24,,,,,29102,bmse010171,1
10,covalent,DOUB,C9,C12,,,,,29102,bmse010171,1
11,covalent,SING,C9,C24,,,,,29102,bmse010171,1
12,covalent,DOUB,C10,C13,,,,,29102,bmse010171,1
13,covalent,SING,C10,C25,,,,,29102,bmse010171,1
14,covalent,DOUB,C11,C14,,,,,29102,bmse010171,1
15,covalent,SING,C11,C26,,,,,29102,bmse010171,1
16,covalent,SING,C12,C28,,,,,29102,bmse010171,1
17,covalent,SING,C13,C29,,,,,29102,bmse010171,1
18,covalent,SING,C14,C27,,,,,29102,bmse010171,1
19,covalent,SING,C15,O42,,,,,29102,bmse010171,1
20,covalent,DOUB,C16,C24,,,,,29102,bmse010171,1
21,covalent,SING,C16,C30,,,,,29102,bmse010171,1
22,covalent,DOUB,C17,C25,,,,,29102,bmse010171,1
23,covalent,SING,C17,C31,,,,,29102,bmse010171,1
24,covalent,DOUB,C18,C26,,,,,29102,bmse010171,1
25,covalent,SING,C18,C32,,,,,29102,bmse010171,1
26,covalent,SING,C19,C25,,,,,29102,bmse010171,1
27,covalent,DOUB,C19,O35,,,,,29102,bmse010171,1
28,covalent,SING,C20,C33,,,,,29102,bmse010171,1
29,covalent,SING,C20,O43,,,,,29102,bmse010171,1
30,covalent,DOUB,C21,O36,,,,,29102,bmse010171,1
31,covalent,SING,C21,O42,,,,,29102,bmse010171,1
32,covalent,DOUB,C22,O37,,,,,29102,bmse010171,1
33,covalent,SING,C22,O43,,,,,29102,bmse010171,1
34,covalent,DOUB,C23,O38,,,,,29102,bmse010171,1
35,covalent,SING,C23,O44,,,,,29102,bmse010171,1
36,covalent,SING,C26,C34,,,,,29102,bmse010171,1
37,covalent,DOUB,C27,C32,,,,,29102,bmse010171,1
38,covalent,SING,C27,O44,,,,,29102,bmse010171,1
39,covalent,DOUB,C28,C30,,,,,29102,bmse010171,1
40,covalent,SING,C28,O45,,,,,29102,bmse010171,1
41,covalent,DOUB,C29,C31,,,,,29102,bmse010171,1
42,covalent,SING,C29,O46,,,,,29102,bmse010171,1
43,covalent,SING,C30,O39,,,,,29102,bmse010171,1
44,covalent,SING,C31,O40,,,,,29102,bmse010171,1
45,covalent,SING,C32,O41,,,,,29102,bmse010171,1
46,covalent,SING,C33,C34,,,,,29102,bmse010171,1
47,covalent,SING,C33,O45,,,,,29102,bmse010171,1
48,covalent,SING,C34,O46,,,,,29102,bmse010171,1
49,covalent,SING,C1,H48,,,,,29102,bmse010171,1
50,covalent,SING,C1,H49,,,,,29102,bmse010171,1
51,covalent,SING,C1,H47,,,,,29102,bmse010171,1
52,covalent,SING,C2,H50,,,,,29102,bmse010171,1
53,covalent,SING,C2,H51,,,,,29102,bmse010171,1
54,covalent,SING,C2,H52,,,,,29102,bmse010171,1
55,covalent,SING,C3,H54,,,,,29102,bmse010171,1
56,covalent,SING,C3,H53,,,,,29102,bmse010171,1
57,covalent,SING,C3,H55,,,,,29102,bmse010171,1
58,covalent,SING,C4,H57,,,,,29102,bmse010171,1
59,covalent,SING,C4,H58,,,,,29102,bmse010171,1
60,covalent,SING,C4,H56,,,,,29102,bmse010171,1
61,covalent,SING,C5,H59,,,,,29102,bmse010171,1
62,covalent,SING,C5,H60,,,,,29102,bmse010171,1
63,covalent,SING,C5,H61,,,,,29102,bmse010171,1
64,covalent,SING,C6,H64,,,,,29102,bmse010171,1
65,covalent,SING,C6,H63,,,,,29102,bmse010171,1
66,covalent,SING,C6,H62,,,,,29102,bmse010171,1
67,covalent,SING,C7,H65,,,,,29102,bmse010171,1
68,covalent,SING,C8,H66,,,,,29102,bmse010171,1
69,covalent,SING,C9,H67,,,,,29102,bmse010171,1
70,covalent,SING,C10,H68,,,,,29102,bmse010171,1
71,covalent,SING,C11,H69,,,,,29102,bmse010171,1
72,covalent,SING,C12,H70,,,,,29102,bmse010171,1
73,covalent,SING,C13,H71,,,,,29102,bmse010171,1
74,covalent,SING,C14,H72,,,,,29102,bmse010171,1
75,covalent,SING,C15,H73,,,,,29102,bmse010171,1
76,covalent,SING,C15,H74,,,,,29102,bmse010171,1
77,covalent,SING,C16,H75,,,,,29102,bmse010171,1
78,covalent,SING,C17,H76,,,,,29102,bmse010171,1
79,covalent,SING,C18,H77,,,,,29102,bmse010171,1
80,covalent,SING,C19,H78,,,,,29102,bmse010171,1
81,covalent,SING,C20,H79,,,,,29102,bmse010171,1
82,covalent,SING,C20,H80,,,,,29102,bmse010171,1
83,covalent,SING,C33,H81,,,,,29102,bmse010171,1
84,covalent,SING,C34,H82,,,,,29102,bmse010171,1
1,covalent,SING,C1,C17,,,,,29119,bmse010172,1
2,covalent,SING,C2,C18,,,,,29119,bmse010172,1
3,covalent,SING,C3,C19,,,,,29119,bmse010172,1
4,covalent,SING,C4,C20,,,,,29119,bmse010172,1
5,covalent,SING,C5,O33,,,,,29119,bmse010172,1
6,covalent,SING,C6,O34,,,,,29119,bmse010172,1
7,covalent,SING,C7,C9,,,,,29119,bmse010172,1
8,covalent,SING,C7,C11,,,,,29119,bmse010172,1
9,covalent,SING,C8,C10,,,,,29119,bmse010172,1
10,covalent,SING,C8,C12,,,,,29119,bmse010172,1
11,covalent,SING,C9,C21,,,,,29119,bmse010172,1
12,covalent,SING,C10,C22,,,,,29119,bmse010172,1
13,covalent,SING,C11,O35,,,,,29119,bmse010172,1
14,covalent,SING,C12,O36,,,,,29119,bmse010172,1
15,covalent,DOUB,C13,C21,,,,,29119,bmse010172,1
16,covalent,SING,C13,C23,,,,,29119,bmse010172,1
17,covalent,DOUB,C14,C22,,,,,29119,bmse010172,1
18,covalent,SING,C14,C24,,,,,29119,bmse010172,1
19,covalent,SING,C15,C21,,,,,29119,bmse010172,1
20,covalent,DOUB,C15,C25,,,,,29119,bmse010172,1
21,covalent,SING,C16,C22,,,,,29119,bmse010172,1
22,covalent,DOUB,C16,C26,,,,,29119,bmse010172,1
23,covalent,DOUB,C17,O29,,,,,29119,bmse010172,1
24,covalent,SING,C17,O35,,,,,29119,bmse010172,1
25,covalent,DOUB,C18,O30,,,,,29119,bmse010172,1
26,covalent,SING,C18,O36,,,,,29119,bmse010172,1
27,covalent,DOUB,C19,O31,,,,,29119,bmse010172,1
28,covalent,SING,C19,O37,,,,,29119,bmse010172,1
29,covalent,DOUB,C20,O32,,,,,29119,bmse010172,1
30,covalent,SING,C20,O38,,,,,29119,bmse010172,1
31,covalent,SING,C23,C24,,,,,29119,bmse010172,1
32,covalent,DOUB,C23,C27,,,,,29119,bmse010172,1
33,covalent,DOUB,C24,C28,,,,,29119,bmse010172,1
34,covalent,SING,C25,C27,,,,,29119,bmse010172,1
35,covalent,SING,C25,O33,,,,,29119,bmse010172,1
36,covalent,SING,C26,C28,,,,,29119,bmse010172,1
37,covalent,SING,C26,O34,,,,,29119,bmse010172,1
38,covalent,SING,C27,O37,,,,,29119,bmse010172,1
39,covalent,SING,C28,O38,,,,,29119,bmse010172,1
40,covalent,SING,C1,H39,,,,,29119,bmse010172,1
41,covalent,SING,C1,H40,,,,,29119,bmse010172,1
42,covalent,SING,C1,H41,,,,,29119,bmse010172,1
43,covalent,SING,C2,H42,,,,,29119,bmse010172,1
44,covalent,SING,C2,H43,,,,,29119,bmse010172,1
45,covalent,SING,C2,H44,,,,,29119,bmse010172,1
46,covalent,SING,C3,H45,,,,,29119,bmse010172,1
47,covalent,SING,C3,H46,,,,,29119,bmse010172,1
48,covalent,SING,C3,H47,,,,,29119,bmse010172,1
49,covalent,SING,C4,H48,,,,,29119,bmse010172,1
50,covalent,SING,C4,H49,,,,,29119,bmse010172,1
51,covalent,SING,C4,H50,,,,,29119,bmse010172,1
52,covalent,SING,C5,H51,,,,,29119,bmse010172,1
53,covalent,SING,C5,H52,,,,,29119,bmse010172,1
54,covalent,SING,C5,H53,,,,,29119,bmse010172,1
55,covalent,SING,C6,H54,,,,,29119,bmse010172,1
56,covalent,SING,C6,H55,,,,,29119,bmse010172,1
57,covalent,SING,C6,H56,,,,,29119,bmse010172,1
58,covalent,SING,C7,H57,,,,,29119,bmse010172,1
59,covalent,SING,C7,H58,,,,,29119,bmse010172,1
60,covalent,SING,C8,H59,,,,,29119,bmse010172,1
61,covalent,SING,C8,H60,,,,,29119,bmse010172,1
62,covalent,SING,C9,H61,,,,,29119,bmse010172,1
63,covalent,SING,C9,H62,,,,,29119,bmse010172,1
64,covalent,SING,C10,H63,,,,,29119,bmse010172,1
65,covalent,SING,C10,H64,,,,,29119,bmse010172,1
66,covalent,SING,C11,H65,,,,,29119,bmse010172,1
67,covalent,SING,C11,H66,,,,,29119,bmse010172,1
68,covalent,SING,C12,H67,,,,,29119,bmse010172,1
69,covalent,SING,C12,H68,,,,,29119,bmse010172,1
70,covalent,SING,C13,H69,,,,,29119,bmse010172,1
71,covalent,SING,C14,H70,,,,,29119,bmse010172,1
72,covalent,SING,C15,H71,,,,,29119,bmse010172,1
73,covalent,SING,C16,H72,,,,,29119,bmse010172,1
1,covalent,SING,C1,C21,,,,,29139,bmse010173,1
2,covalent,SING,C2,C22,,,,,29139,bmse010173,1
3,covalent,SING,C3,C23,,,,,29139,bmse010173,1
4,covalent,SING,C4,C24,,,,,29139,bmse010173,1
5,covalent,SING,C5,C25,,,,,29139,bmse010173,1
6,covalent,SING,C6,C26,,,,,29139,bmse010173,1
7,covalent,SING,C7,O46,,,,,29139,bmse010173,1
8,covalent,SING,C8,O47,,,,,29139,bmse010173,1
9,covalent,SING,C9,O48,,,,,29139,bmse010173,1
10,covalent,SING,C10,O49,,,,,29139,bmse010173,1
11,covalent,SING,C11,O50,,,,,29139,bmse010173,1
12,covalent,DOUB,C12,C13,,,,,29139,bmse010173,1
13,covalent,SING,C12,C27,,,,,29139,bmse010173,1
14,covalent,SING,C13,C29,,,,,29139,bmse010173,1
15,covalent,DOUB,C14,C21,,,,,29139,bmse010173,1
16,covalent,SING,C14,C31,,,,,29139,bmse010173,1
17,covalent,SING,C15,C21,,,,,29139,bmse010173,1
18,covalent,DOUB,C15,C32,,,,,29139,bmse010173,1
19,covalent,DOUB,C16,C27,,,,,29139,bmse010173,1
20,covalent,SING,C16,C30,,,,,29139,bmse010173,1
21,covalent,DOUB,C17,C28,,,,,29139,bmse010173,1
22,covalent,SING,C17,C33,,,,,29139,bmse010173,1
23,covalent,SING,C18,C28,,,,,29139,bmse010173,1
24,covalent,DOUB,C18,C34,,,,,29139,bmse010173,1
25,covalent,SING,C19,C35,,,,,29139,bmse010173,1
26,covalent,SING,C19,O51,,,,,29139,bmse010173,1
27,covalent,SING,C20,C36,,,,,29139,bmse010173,1
28,covalent,SING,C20,O52,,,,,29139,bmse010173,1
29,covalent,DOUB,C22,O41,,,,,29139,bmse010173,1
30,covalent,SING,C22,O51,,,,,29139,bmse010173,1
31,covalent,DOUB,C23,O42,,,,,29139,bmse010173,1
32,covalent,SING,C23,O52,,,,,29139,bmse010173,1
33,covalent,DOUB,C24,O43,,,,,29139,bmse010173,1
34,covalent,SING,C24,O53,,,,,29139,bmse010173,1
35,covalent,DOUB,C25,O44,,,,,29139,bmse010173,1
36,covalent,SING,C25,O54,,,,,29139,bmse010173,1
37,covalent,DOUB,C26,O45,,,,,29139,bmse010173,1
38,covalent,SING,C26,O55,,,,,29139,bmse010173,1
39,covalent,SING,C27,C37,,,,,29139,bmse010173,1
40,covalent,SING,C28,C38,,,,,29139,bmse010173,1
41,covalent,DOUB,C29,C30,,,,,29139,bmse010173,1
42,covalent,SING,C29,O56,,,,,29139,bmse010173,1
43,covalent,SING,C30,O46,,,,,29139,bmse010173,1
44,covalent,DOUB,C31,C40,,,,,29139,bmse010173,1
45,covalent,SING,C31,O47,,,,,29139,bmse010173,1
46,covalent,SING,C32,C40,,,,,29139,bmse010173,1
47,covalent,SING,C32,O48,,,,,29139,bmse010173,1
48,covalent,DOUB,C33,C39,,,,,29139,bmse010173,1
49,covalent,SING,C33,O49,,,,,29139,bmse010173,1
50,covalent,SING,C34,C39,,,,,29139,bmse010173,1
51,covalent,SING,C34,O50,,,,,29139,bmse010173,1
52,covalent,SING,C35,C38,,,,,29139,bmse010173,1
53,covalent,SING,C35,O56,,,,,29139,bmse010173,1
54,covalent,SING,C36,C37,,,,,29139,bmse010173,1
55,covalent,SING,C36,O57,,,,,29139,bmse010173,1
56,covalent,SING,C37,O53,,,,,29139,bmse010173,1
57,covalent,SING,C38,O54,,,,,29139,bmse010173,1
58,covalent,SING,C39,O55,,,,,29139,bmse010173,1
59,covalent,SING,C40,O57,,,,,29139,bmse010173,1
60,covalent,SING,C1,H59,,,,,29139,bmse010173,1
61,covalent,SING,C1,H58,,,,,29139,bmse010173,1
62,covalent,SING,C1,H60,,,,,29139,bmse010173,1
63,covalent,SING,C2,H63,,,,,29139,bmse010173,1
64,covalent,SING,C2,H61,,,,,29139,bmse010173,1
65,covalent,SING,C2,H62,,,,,29139,bmse010173,1
66,covalent,SING,C3,H65,,,,,29139,bmse010173,1
67,covalent,SING,C3,H66,,,,,29139,bmse010173,1
68,covalent,SING,C3,H64,,,,,29139,bmse010173,1
69,covalent,SING,C4,H68,,,,,29139,bmse010173,1
70,covalent,SING,C4,H69,,,,,29139,bmse010173,1
71,covalent,SING,C4,H67,,,,,29139,bmse010173,1
72,covalent,SING,C5,H72,,,,,29139,bmse010173,1
73,covalent,SING,C5,H71,,,,,29139,bmse010173,1
74,covalent,SING,C5,H70,,,,,29139,bmse010173,1
75,covalent,SING,C6,H73,,,,,29139,bmse010173,1
76,covalent,SING,C6,H75,,,,,29139,bmse010173,1
77,covalent,SING,C6,H74,,,,,29139,bmse010173,1
78,covalent,SING,C7,H77,,,,,29139,bmse010173,1
79,covalent,SING,C7,H78,,,,,29139,bmse010173,1
80,covalent,SING,C7,H76,,,,,29139,bmse010173,1
81,covalent,SING,C8,H81,,,,,29139,bmse010173,1
82,covalent,SING,C8,H79,,,,,29139,bmse010173,1
83,covalent,SING,C8,H80,,,,,29139,bmse010173,1
84,covalent,SING,C9,H84,,,,,29139,bmse010173,1
85,covalent,SING,C9,H82,,,,,29139,bmse010173,1
86,covalent,SING,C9,H83,,,,,29139,bmse010173,1
87,covalent,SING,C10,H87,,,,,29139,bmse010173,1
88,covalent,SING,C10,H86,,,,,29139,bmse010173,1
89,covalent,SING,C10,H85,,,,,29139,bmse010173,1
90,covalent,SING,C11,H90,,,,,29139,bmse010173,1
91,covalent,SING,C11,H89,,,,,29139,bmse010173,1
92,covalent,SING,C11,H88,,,,,29139,bmse010173,1
93,covalent,SING,C12,H91,,,,,29139,bmse010173,1
94,covalent,SING,C13,H92,,,,,29139,bmse010173,1
95,covalent,SING,C14,H93,,,,,29139,bmse010173,1
96,covalent,SING,C15,H94,,,,,29139,bmse010173,1
97,covalent,SING,C16,H95,,,,,29139,bmse010173,1
98,covalent,SING,C17,H96,,,,,29139,bmse010173,1
99,covalent,SING,C18,H97,,,,,29139,bmse010173,1
100,covalent,SING,C19,H98,,,,,29139,bmse010173,1
101,covalent,SING,C19,H99,,,,,29139,bmse010173,1
102,covalent,SING,C20,H100,,,,,29139,bmse010173,1
103,covalent,SING,C20,H101,,,,,29139,bmse010173,1
104,covalent,SING,C35,H102,,,,,29139,bmse010173,1
105,covalent,SING,C36,H103,,,,,29139,bmse010173,1
106,covalent,SING,C37,H104,,,,,29139,bmse010173,1
107,covalent,SING,C38,H105,,,,,29139,bmse010173,1
1,covalent,SING,C1,C6,,,,,29159,bmse010174,1
2,covalent,SING,C2,O14,,,,,29159,bmse010174,1
3,covalent,DOUB,C3,C4,,,,,29159,bmse010174,1
4,covalent,SING,C3,C7,,,,,29159,bmse010174,1
5,covalent,SING,C4,C8,,,,,29159,bmse010174,1
6,covalent,DOUB,C5,C7,,,,,29159,bmse010174,1
7,covalent,SING,C5,C9,,,,,29159,bmse010174,1
8,covalent,SING,C6,C10,,,,,29159,bmse010174,1
9,covalent,SING,C6,O11,,,,,29159,bmse010174,1
10,covalent,SING,C7,C10,,,,,29159,bmse010174,1
11,covalent,DOUB,C8,C9,,,,,29159,bmse010174,1
12,covalent,SING,C8,O12,,,,,29159,bmse010174,1
13,covalent,SING,C9,O14,,,,,29159,bmse010174,1
14,covalent,DOUB,C10,O13,,,,,29159,bmse010174,1
15,covalent,SING,C1,H15,,,,,29159,bmse010174,1
16,covalent,SING,C1,H16,,,,,29159,bmse010174,1
17,covalent,SING,C1,H17,,,,,29159,bmse010174,1
18,covalent,SING,C2,H18,,,,,29159,bmse010174,1
19,covalent,SING,C2,H19,,,,,29159,bmse010174,1
20,covalent,SING,C2,H20,,,,,29159,bmse010174,1
21,covalent,SING,C3,H21,,,,,29159,bmse010174,1
22,covalent,SING,C4,H22,,,,,29159,bmse010174,1
23,covalent,SING,C5,H23,,,,,29159,bmse010174,1
24,covalent,SING,C6,H24,,,,,29159,bmse010174,1
25,covalent,SING,O11,H25,,,,,29159,bmse010174,1
26,covalent,SING,O12,H26,,,,,29159,bmse010174,1
1,covalent,SING,C1,C8,,,,,29179,bmse010175,1
2,covalent,SING,C2,C9,,,,,29179,bmse010175,1
3,covalent,SING,C3,C10,,,,,29179,bmse010175,1
4,covalent,SING,C4,O18,,,,,29179,bmse010175,1
5,covalent,DOUB,C5,C6,,,,,29179,bmse010175,1
6,covalent,SING,C5,C11,,,,,29179,bmse010175,1
7,covalent,SING,C6,C12,,,,,29179,bmse010175,1
8,covalent,DOUB,C7,C11,,,,,29179,bmse010175,1
9,covalent,SING,C7,C13,,,,,29179,bmse010175,1
10,covalent,SING,C8,C14,,,,,29179,bmse010175,1
11,covalent,SING,C8,O19,,,,,29179,bmse010175,1
12,covalent,DOUB,C9,O15,,,,,29179,bmse010175,1
13,covalent,SING,C9,O19,,,,,29179,bmse010175,1
14,covalent,DOUB,C10,O16,,,,,29179,bmse010175,1
15,covalent,SING,C10,O20,,,,,29179,bmse010175,1
16,covalent,SING,C11,C14,,,,,29179,bmse010175,1
17,covalent,DOUB,C12,C13,,,,,29179,bmse010175,1
18,covalent,SING,C12,O20,,,,,29179,bmse010175,1
19,covalent,SING,C13,O18,,,,,29179,bmse010175,1
20,covalent,DOUB,C14,O17,,,,,29179,bmse010175,1
21,covalent,SING,C1,H23,,,,,29179,bmse010175,1
22,covalent,SING,C1,H21,,,,,29179,bmse010175,1
23,covalent,SING,C1,H22,,,,,29179,bmse010175,1
24,covalent,SING,C2,H25,,,,,29179,bmse010175,1
25,covalent,SING,C2,H24,,,,,29179,bmse010175,1
26,covalent,SING,C2,H26,,,,,29179,bmse010175,1
27,covalent,SING,C3,H28,,,,,29179,bmse010175,1
28,covalent,SING,C3,H27,,,,,29179,bmse010175,1
29,covalent,SING,C3,H29,,,,,29179,bmse010175,1
30,covalent,SING,C4,H30,,,,,29179,bmse010175,1
31,covalent,SING,C4,H31,,,,,29179,bmse010175,1
32,covalent,SING,C4,H32,,,,,29179,bmse010175,1
33,covalent,SING,C5,H33,,,,,29179,bmse010175,1
34,covalent,SING,C6,H34,,,,,29179,bmse010175,1
35,covalent,SING,C7,H35,,,,,29179,bmse010175,1
36,covalent,SING,C8,H36,,,,,29179,bmse010175,1
1,covalent,SING,C1,C18,,,,,29199,bmse010176,1
2,covalent,SING,C2,C19,,,,,29199,bmse010176,1
3,covalent,SING,C3,C20,,,,,29199,bmse010176,1
4,covalent,SING,C4,C21,,,,,29199,bmse010176,1
5,covalent,SING,C5,O36,,,,,29199,bmse010176,1
6,covalent,SING,C6,O37,,,,,29199,bmse010176,1
7,covalent,SING,C7,O38,,,,,29199,bmse010176,1
8,covalent,SING,C8,O39,,,,,29199,bmse010176,1
9,covalent,SING,C9,O40,,,,,29199,bmse010176,1
10,covalent,SING,C10,O41,,,,,29199,bmse010176,1
11,covalent,DOUB,C11,C18,,,,,29199,bmse010176,1
12,covalent,SING,C11,C23,,,,,29199,bmse010176,1
13,covalent,SING,C12,C18,,,,,29199,bmse010176,1
14,covalent,DOUB,C12,C24,,,,,29199,bmse010176,1
15,covalent,DOUB,C13,C19,,,,,29199,bmse010176,1
16,covalent,SING,C13,C25,,,,,29199,bmse010176,1
17,covalent,SING,C14,C19,,,,,29199,bmse010176,1
18,covalent,DOUB,C14,C26,,,,,29199,bmse010176,1
19,covalent,DOUB,C15,C22,,,,,29199,bmse010176,1
20,covalent,SING,C15,C27,,,,,29199,bmse010176,1
21,covalent,SING,C16,C22,,,,,29199,bmse010176,1
22,covalent,DOUB,C16,C28,,,,,29199,bmse010176,1
23,covalent,SING,C17,C29,,,,,29199,bmse010176,1
24,covalent,SING,C17,O42,,,,,29199,bmse010176,1
25,covalent,DOUB,C20,O34,,,,,29199,bmse010176,1
26,covalent,SING,C20,O42,,,,,29199,bmse010176,1
27,covalent,DOUB,C21,O35,,,,,29199,bmse010176,1
28,covalent,SING,C21,O43,,,,,29199,bmse010176,1
29,covalent,SING,C22,C30,,,,,29199,bmse010176,1
30,covalent,DOUB,C23,C32,,,,,29199,bmse010176,1
31,covalent,SING,C23,O36,,,,,29199,bmse010176,1
32,covalent,SING,C24,C32,,,,,29199,bmse010176,1
33,covalent,SING,C24,O37,,,,,29199,bmse010176,1
34,covalent,DOUB,C25,C33,,,,,29199,bmse010176,1
35,covalent,SING,C25,O38,,,,,29199,bmse010176,1
36,covalent,SING,C26,C33,,,,,29199,bmse010176,1
37,covalent,SING,C26,O39,,,,,29199,bmse010176,1
38,covalent,DOUB,C27,C31,,,,,29199,bmse010176,1
39,covalent,SING,C27,O40,,,,,29199,bmse010176,1
40,covalent,SING,C28,C31,,,,,29199,bmse010176,1
41,covalent,SING,C28,O41,,,,,29199,bmse010176,1
42,covalent,SING,C29,C30,,,,,29199,bmse010176,1
43,covalent,SING,C29,O44,,,,,29199,bmse010176,1
44,covalent,SING,C30,O45,,,,,29199,bmse010176,1
45,covalent,SING,C31,O43,,,,,29199,bmse010176,1
46,covalent,SING,C32,O44,,,,,29199,bmse010176,1
47,covalent,SING,C33,O45,,,,,29199,bmse010176,1
48,covalent,SING,C1,H46,,,,,29199,bmse010176,1
49,covalent,SING,C1,H47,,,,,29199,bmse010176,1
50,covalent,SING,C1,H48,,,,,29199,bmse010176,1
51,covalent,SING,C2,H49,,,,,29199,bmse010176,1
52,covalent,SING,C2,H50,,,,,29199,bmse010176,1
53,covalent,SING,C2,H51,,,,,29199,bmse010176,1
54,covalent,SING,C3,H54,,,,,29199,bmse010176,1
55,covalent,SING,C3,H53,,,,,29199,bmse010176,1
56,covalent,SING,C3,H52,,,,,29199,bmse010176,1
57,covalent,SING,C4,H55,,,,,29199,bmse010176,1
58,covalent,SING,C4,H56,,,,,29199,bmse010176,1
59,covalent,SING,C4,H57,,,,,29199,bmse010176,1
60,covalent,SING,C5,H58,,,,,29199,bmse010176,1
61,covalent,SING,C5,H59,,,,,29199,bmse010176,1
62,covalent,SING,C5,H60,,,,,29199,bmse010176,1
63,covalent,SING,C6,H62,,,,,29199,bmse010176,1
64,covalent,SING,C6,H63,,,,,29199,bmse010176,1
65,covalent,SING,C6,H61,,,,,29199,bmse010176,1
66,covalent,SING,C7,H64,,,,,29199,bmse010176,1
67,covalent,SING,C7,H66,,,,,29199,bmse010176,1
68,covalent,SING,C7,H65,,,,,29199,bmse010176,1
69,covalent,SING,C8,H68,,,,,29199,bmse010176,1
70,covalent,SING,C8,H69,,,,,29199,bmse010176,1
71,covalent,SING,C8,H67,,,,,29199,bmse010176,1
72,covalent,SING,C9,H70,,,,,29199,bmse010176,1
73,covalent,SING,C9,H71,,,,,29199,bmse010176,1
74,covalent,SING,C9,H72,,,,,29199,bmse010176,1
75,covalent,SING,C10,H74,,,,,29199,bmse010176,1
76,covalent,SING,C10,H75,,,,,29199,bmse010176,1
77,covalent,SING,C10,H73,,,,,29199,bmse010176,1
78,covalent,SING,C11,H76,,,,,29199,bmse010176,1
79,covalent,SING,C12,H77,,,,,29199,bmse010176,1
80,covalent,SING,C13,H78,,,,,29199,bmse010176,1
81,covalent,SING,C14,H79,,,,,29199,bmse010176,1
82,covalent,SING,C15,H80,,,,,29199,bmse010176,1
83,covalent,SING,C16,H81,,,,,29199,bmse010176,1
84,covalent,SING,C17,H82,,,,,29199,bmse010176,1
85,covalent,SING,C17,H83,,,,,29199,bmse010176,1
86,covalent,SING,C29,H84,,,,,29199,bmse010176,1
87,covalent,SING,C30,H85,,,,,29199,bmse010176,1
1,covalent,SING,C1,C15,,,,,29219,bmse010177,1
2,covalent,SING,C2,C16,,,,,29219,bmse010177,1
3,covalent,SING,C3,C17,,,,,29219,bmse010177,1
4,covalent,DOUB,C4,C5,,,,,29219,bmse010177,1
5,covalent,SING,C4,C12,,,,,29219,bmse010177,1
6,covalent,SING,C5,C18,,,,,29219,bmse010177,1
7,covalent,DOUB,C6,C11,,,,,29219,bmse010177,1
8,covalent,SING,C6,C18,,,,,29219,bmse010177,1
9,covalent,SING,C7,C9,,,,,29219,bmse010177,1
10,covalent,DOUB,C7,C19,,,,,29219,bmse010177,1
11,covalent,DOUB,C8,C10,,,,,29219,bmse010177,1
12,covalent,SING,C8,C19,,,,,29219,bmse010177,1
13,covalent,DOUB,C9,C20,,,,,29219,bmse010177,1
14,covalent,SING,C10,C20,,,,,29219,bmse010177,1
15,covalent,SING,C11,C23,,,,,29219,bmse010177,1
16,covalent,SING,C12,O28,,,,,29219,bmse010177,1
17,covalent,DOUB,C13,C18,,,,,29219,bmse010177,1
18,covalent,SING,C13,C21,,,,,29219,bmse010177,1
19,covalent,SING,C14,C22,,,,,29219,bmse010177,1
20,covalent,SING,C14,O29,,,,,29219,bmse010177,1
21,covalent,DOUB,C15,O25,,,,,29219,bmse010177,1
22,covalent,SING,C15,O28,,,,,29219,bmse010177,1
23,covalent,DOUB,C16,O26,,,,,29219,bmse010177,1
24,covalent,SING,C16,O29,,,,,29219,bmse010177,1
25,covalent,DOUB,C17,O27,,,,,29219,bmse010177,1
26,covalent,SING,C17,O30,,,,,29219,bmse010177,1
27,covalent,SING,C19,C24,,,,,29219,bmse010177,1
28,covalent,SING,C20,O30,,,,,29219,bmse010177,1
29,covalent,SING,C21,C22,,,,,29219,bmse010177,1
30,covalent,DOUB,C21,C23,,,,,29219,bmse010177,1
31,covalent,SING,C22,C24,,,,,29219,bmse010177,1
32,covalent,SING,C23,O31,,,,,29219,bmse010177,1
33,covalent,SING,C24,O31,,,,,29219,bmse010177,1
34,covalent,SING,C1,H32,,,,,29219,bmse010177,1
35,covalent,SING,C1,H33,,,,,29219,bmse010177,1
36,covalent,SING,C1,H34,,,,,29219,bmse010177,1
37,covalent,SING,C2,H35,,,,,29219,bmse010177,1
38,covalent,SING,C2,H36,,,,,29219,bmse010177,1
39,covalent,SING,C2,H37,,,,,29219,bmse010177,1
40,covalent,SING,C3,H38,,,,,29219,bmse010177,1
41,covalent,SING,C3,H39,,,,,29219,bmse010177,1
42,covalent,SING,C3,H40,,,,,29219,bmse010177,1
43,covalent,SING,C4,H41,,,,,29219,bmse010177,1
44,covalent,SING,C5,H42,,,,,29219,bmse010177,1
45,covalent,SING,C6,H43,,,,,29219,bmse010177,1
46,covalent,SING,C7,H44,,,,,29219,bmse010177,1
47,covalent,SING,C8,H45,,,,,29219,bmse010177,1
48,covalent,SING,C9,H46,,,,,29219,bmse010177,1
49,covalent,SING,C10,H47,,,,,29219,bmse010177,1
50,covalent,SING,C11,H48,,,,,29219,bmse010177,1
51,covalent,SING,C12,H49,,,,,29219,bmse010177,1
52,covalent,SING,C12,H50,,,,,29219,bmse010177,1
53,covalent,SING,C13,H51,,,,,29219,bmse010177,1
54,covalent,SING,C14,H52,,,,,29219,bmse010177,1
55,covalent,SING,C14,H53,,,,,29219,bmse010177,1
56,covalent,SING,C22,H54,,,,,29219,bmse010177,1
57,covalent,SING,C24,H55,,,,,29219,bmse010177,1
1,covalent,SING,C1,C11,,,,,29236,bmse010178,1
2,covalent,SING,C2,C8,,,,,29236,bmse010178,1
3,covalent,DOUB,C2,C11,,,,,29236,bmse010178,1
4,covalent,DOUB,C3,C9,,,,,29236,bmse010178,1
5,covalent,SING,C3,C11,,,,,29236,bmse010178,1
6,covalent,SING,C4,C6,,,,,29236,bmse010178,1
7,covalent,DOUB,C4,C12,,,,,29236,bmse010178,1
8,covalent,DOUB,C5,C7,,,,,29236,bmse010178,1
9,covalent,SING,C5,C12,,,,,29236,bmse010178,1
10,covalent,DOUB,C6,C13,,,,,29236,bmse010178,1
11,covalent,SING,C7,C13,,,,,29236,bmse010178,1
12,covalent,DOUB,C8,C14,,,,,29236,bmse010178,1
13,covalent,SING,C9,C14,,,,,29236,bmse010178,1
14,covalent,SING,C10,C15,,,,,29236,bmse010178,1
15,covalent,SING,C10,O17,,,,,29236,bmse010178,1
16,covalent,SING,C12,C16,,,,,29236,bmse010178,1
17,covalent,SING,C13,O18,,,,,29236,bmse010178,1
18,covalent,SING,C14,O20,,,,,29236,bmse010178,1
19,covalent,SING,C15,C16,,,,,29236,bmse010178,1
20,covalent,SING,C15,O20,,,,,29236,bmse010178,1
21,covalent,SING,C16,O19,,,,,29236,bmse010178,1
22,covalent,SING,C1,H22,,,,,29236,bmse010178,1
23,covalent,SING,C1,H23,,,,,29236,bmse010178,1
24,covalent,SING,C1,H21,,,,,29236,bmse010178,1
25,covalent,SING,C2,H24,,,,,29236,bmse010178,1
26,covalent,SING,C3,H25,,,,,29236,bmse010178,1
27,covalent,SING,C4,H26,,,,,29236,bmse010178,1
28,covalent,SING,C5,H27,,,,,29236,bmse010178,1
29,covalent,SING,C6,H28,,,,,29236,bmse010178,1
30,covalent,SING,C7,H29,,,,,29236,bmse010178,1
31,covalent,SING,C8,H30,,,,,29236,bmse010178,1
32,covalent,SING,C9,H31,,,,,29236,bmse010178,1
33,covalent,SING,C10,H32,,,,,29236,bmse010178,1
34,covalent,SING,C10,H33,,,,,29236,bmse010178,1
35,covalent,SING,C15,H34,,,,,29236,bmse010178,1
36,covalent,SING,C16,H35,,,,,29236,bmse010178,1
37,covalent,SING,O17,H36,,,,,29236,bmse010178,1
38,covalent,SING,O18,H37,,,,,29236,bmse010178,1
39,covalent,SING,O19,H38,,,,,29236,bmse010178,1
1,covalent,SING,C1,C11,,,,,29256,bmse010179,1
2,covalent,SING,C2,C8,,,,,29256,bmse010179,1
3,covalent,DOUB,C2,C11,,,,,29256,bmse010179,1
4,covalent,DOUB,C3,C9,,,,,29256,bmse010179,1
5,covalent,SING,C3,C11,,,,,29256,bmse010179,1
6,covalent,SING,C4,C6,,,,,29256,bmse010179,1
7,covalent,DOUB,C4,C12,,,,,29256,bmse010179,1
8,covalent,DOUB,C5,C7,,,,,29256,bmse010179,1
9,covalent,SING,C5,C12,,,,,29256,bmse010179,1
10,covalent,DOUB,C6,C13,,,,,29256,bmse010179,1
11,covalent,SING,C7,C13,,,,,29256,bmse010179,1
12,covalent,DOUB,C8,C14,,,,,29256,bmse010179,1
13,covalent,SING,C9,C14,,,,,29256,bmse010179,1
14,covalent,SING,C10,C15,,,,,29256,bmse010179,1
15,covalent,SING,C10,O17,,,,,29256,bmse010179,1
16,covalent,SING,C12,C16,,,,,29256,bmse010179,1
17,covalent,SING,C13,O18,,,,,29256,bmse010179,1
18,covalent,SING,C14,O20,,,,,29256,bmse010179,1
19,covalent,SING,C15,C16,,,,,29256,bmse010179,1
20,covalent,SING,C15,O20,,,,,29256,bmse010179,1
21,covalent,SING,C16,O19,,,,,29256,bmse010179,1
22,covalent,SING,C1,H22,,,,,29256,bmse010179,1
23,covalent,SING,C1,H23,,,,,29256,bmse010179,1
24,covalent,SING,C1,H21,,,,,29256,bmse010179,1
25,covalent,SING,C2,H24,,,,,29256,bmse010179,1
26,covalent,SING,C3,H25,,,,,29256,bmse010179,1
27,covalent,SING,C4,H26,,,,,29256,bmse010179,1
28,covalent,SING,C5,H27,,,,,29256,bmse010179,1
29,covalent,SING,C6,H28,,,,,29256,bmse010179,1
30,covalent,SING,C7,H29,,,,,29256,bmse010179,1
31,covalent,SING,C8,H30,,,,,29256,bmse010179,1
32,covalent,SING,C9,H31,,,,,29256,bmse010179,1
33,covalent,SING,C10,H32,,,,,29256,bmse010179,1
34,covalent,SING,C10,H33,,,,,29256,bmse010179,1
35,covalent,SING,C15,H34,,,,,29256,bmse010179,1
36,covalent,SING,C16,H35,,,,,29256,bmse010179,1
37,covalent,SING,O17,H36,,,,,29256,bmse010179,1
38,covalent,SING,O18,H37,,,,,29256,bmse010179,1
39,covalent,SING,O19,H38,,,,,29256,bmse010179,1
1,covalent,SING,C1,C14,,,,,29276,bmse010180,1
2,covalent,SING,C2,C15,,,,,29276,bmse010180,1
3,covalent,SING,C3,C16,,,,,29276,bmse010180,1
4,covalent,SING,C4,C17,,,,,29276,bmse010180,1
5,covalent,SING,C5,C9,,,,,29276,bmse010180,1
6,covalent,DOUB,C5,C14,,,,,29276,bmse010180,1
7,covalent,DOUB,C6,C10,,,,,29276,bmse010180,1
8,covalent,SING,C6,C14,,,,,29276,bmse010180,1
9,covalent,SING,C7,C11,,,,,29276,bmse010180,1
10,covalent,DOUB,C7,C18,,,,,29276,bmse010180,1
11,covalent,DOUB,C8,C12,,,,,29276,bmse010180,1
12,covalent,SING,C8,C18,,,,,29276,bmse010180,1
13,covalent,DOUB,C9,C20,,,,,29276,bmse010180,1
14,covalent,SING,C10,C20,,,,,29276,bmse010180,1
15,covalent,DOUB,C11,C19,,,,,29276,bmse010180,1
16,covalent,SING,C12,C19,,,,,29276,bmse010180,1
17,covalent,SING,C13,C21,,,,,29276,bmse010180,1
18,covalent,SING,C13,O26,,,,,29276,bmse010180,1
19,covalent,DOUB,C15,O23,,,,,29276,bmse010180,1
20,covalent,SING,C15,O26,,,,,29276,bmse010180,1
21,covalent,DOUB,C16,O24,,,,,29276,bmse010180,1
22,covalent,SING,C16,O27,,,,,29276,bmse010180,1
23,covalent,DOUB,C17,O25,,,,,29276,bmse010180,1
24,covalent,SING,C17,O28,,,,,29276,bmse010180,1
25,covalent,SING,C18,C22,,,,,29276,bmse010180,1
26,covalent,SING,C19,O27,,,,,29276,bmse010180,1
27,covalent,SING,C20,O29,,,,,29276,bmse010180,1
28,covalent,SING,C21,C22,,,,,29276,bmse010180,1
29,covalent,SING,C21,O29,,,,,29276,bmse010180,1
30,covalent,SING,C22,O28,,,,,29276,bmse010180,1
31,covalent,SING,C1,H30,,,,,29276,bmse010180,1
32,covalent,SING,C1,H31,,,,,29276,bmse010180,1
33,covalent,SING,C1,H32,,,,,29276,bmse010180,1
34,covalent,SING,C2,H33,,,,,29276,bmse010180,1
35,covalent,SING,C2,H34,,,,,29276,bmse010180,1
36,covalent,SING,C2,H35,,,,,29276,bmse010180,1
37,covalent,SING,C3,H36,,,,,29276,bmse010180,1
38,covalent,SING,C3,H37,,,,,29276,bmse010180,1
39,covalent,SING,C3,H38,,,,,29276,bmse010180,1
40,covalent,SING,C4,H39,,,,,29276,bmse010180,1
41,covalent,SING,C4,H40,,,,,29276,bmse010180,1
42,covalent,SING,C4,H41,,,,,29276,bmse010180,1
43,covalent,SING,C5,H42,,,,,29276,bmse010180,1
44,covalent,SING,C6,H43,,,,,29276,bmse010180,1
45,covalent,SING,C7,H44,,,,,29276,bmse010180,1
46,covalent,SING,C8,H45,,,,,29276,bmse010180,1
47,covalent,SING,C9,H46,,,,,29276,bmse010180,1
48,covalent,SING,C10,H47,,,,,29276,bmse010180,1
49,covalent,SING,C11,H48,,,,,29276,bmse010180,1
50,covalent,SING,C12,H49,,,,,29276,bmse010180,1
51,covalent,SING,C13,H50,,,,,29276,bmse010180,1
52,covalent,SING,C13,H51,,,,,29276,bmse010180,1
53,covalent,SING,C21,H52,,,,,29276,bmse010180,1
54,covalent,SING,C22,H53,,,,,29276,bmse010180,1
1,covalent,SING,C1,C14,,,,,29296,bmse010181,1
2,covalent,SING,C2,C15,,,,,29296,bmse010181,1
3,covalent,SING,C3,C16,,,,,29296,bmse010181,1
4,covalent,SING,C4,C17,,,,,29296,bmse010181,1
5,covalent,SING,C5,C9,,,,,29296,bmse010181,1
6,covalent,DOUB,C5,C14,,,,,29296,bmse010181,1
7,covalent,DOUB,C6,C10,,,,,29296,bmse010181,1
8,covalent,SING,C6,C14,,,,,29296,bmse010181,1
9,covalent,SING,C7,C11,,,,,29296,bmse010181,1
10,covalent,DOUB,C7,C18,,,,,29296,bmse010181,1
11,covalent,DOUB,C8,C12,,,,,29296,bmse010181,1
12,covalent,SING,C8,C18,,,,,29296,bmse010181,1
13,covalent,DOUB,C9,C20,,,,,29296,bmse010181,1
14,covalent,SING,C10,C20,,,,,29296,bmse010181,1
15,covalent,DOUB,C11,C19,,,,,29296,bmse010181,1
16,covalent,SING,C12,C19,,,,,29296,bmse010181,1
17,covalent,SING,C13,C21,,,,,29296,bmse010181,1
18,covalent,SING,C13,O26,,,,,29296,bmse010181,1
19,covalent,DOUB,C15,O23,,,,,29296,bmse010181,1
20,covalent,SING,C15,O26,,,,,29296,bmse010181,1
21,covalent,DOUB,C16,O24,,,,,29296,bmse010181,1
22,covalent,SING,C16,O27,,,,,29296,bmse010181,1
23,covalent,DOUB,C17,O25,,,,,29296,bmse010181,1
24,covalent,SING,C17,O28,,,,,29296,bmse010181,1
25,covalent,SING,C18,C22,,,,,29296,bmse010181,1
26,covalent,SING,C19,O27,,,,,29296,bmse010181,1
27,covalent,SING,C20,O29,,,,,29296,bmse010181,1
28,covalent,SING,C21,C22,,,,,29296,bmse010181,1
29,covalent,SING,C21,O29,,,,,29296,bmse010181,1
30,covalent,SING,C22,O28,,,,,29296,bmse010181,1
31,covalent,SING,C1,H31,,,,,29296,bmse010181,1
32,covalent,SING,C1,H32,,,,,29296,bmse010181,1
33,covalent,SING,C1,H30,,,,,29296,bmse010181,1
34,covalent,SING,C2,H33,,,,,29296,bmse010181,1
35,covalent,SING,C2,H35,,,,,29296,bmse010181,1
36,covalent,SING,C2,H34,,,,,29296,bmse010181,1
37,covalent,SING,C3,H36,,,,,29296,bmse010181,1
38,covalent,SING,C3,H38,,,,,29296,bmse010181,1
39,covalent,SING,C3,H37,,,,,29296,bmse010181,1
40,covalent,SING,C4,H41,,,,,29296,bmse010181,1
41,covalent,SING,C4,H40,,,,,29296,bmse010181,1
42,covalent,SING,C4,H39,,,,,29296,bmse010181,1
43,covalent,SING,C5,H42,,,,,29296,bmse010181,1
44,covalent,SING,C6,H43,,,,,29296,bmse010181,1
45,covalent,SING,C7,H44,,,,,29296,bmse010181,1
46,covalent,SING,C8,H45,,,,,29296,bmse010181,1
47,covalent,SING,C9,H46,,,,,29296,bmse010181,1
48,covalent,SING,C10,H47,,,,,29296,bmse010181,1
49,covalent,SING,C11,H48,,,,,29296,bmse010181,1
50,covalent,SING,C12,H49,,,,,29296,bmse010181,1
51,covalent,SING,C13,H50,,,,,29296,bmse010181,1
52,covalent,SING,C13,H51,,,,,29296,bmse010181,1
53,covalent,SING,C21,H52,,,,,29296,bmse010181,1
54,covalent,SING,C22,H53,,,,,29296,bmse010181,1
1,covalent,SING,C1,C5,,,,,29316,bmse010182,1
2,covalent,SING,C2,C6,,,,,29316,bmse010182,1
3,covalent,SING,C3,O23,,,,,29316,bmse010182,1
4,covalent,SING,C4,O24,,,,,29316,bmse010182,1
5,covalent,SING,C5,C7,,,,,29316,bmse010182,1
6,covalent,SING,C6,C15,,,,,29316,bmse010182,1
7,covalent,SING,C7,C13,,,,,29316,bmse010182,1
8,covalent,DOUB,C8,C9,,,,,29316,bmse010182,1
9,covalent,SING,C8,C13,,,,,29316,bmse010182,1
10,covalent,SING,C9,C16,,,,,29316,bmse010182,1
11,covalent,DOUB,C10,C13,,,,,29316,bmse010182,1
12,covalent,SING,C10,C17,,,,,29316,bmse010182,1
13,covalent,DOUB,C11,C14,,,,,29316,bmse010182,1
14,covalent,SING,C11,C18,,,,,29316,bmse010182,1
15,covalent,SING,C12,C14,,,,,29316,bmse010182,1
16,covalent,DOUB,C12,C19,,,,,29316,bmse010182,1
17,covalent,SING,C14,C15,,,,,29316,bmse010182,1
18,covalent,SING,C15,O21,,,,,29316,bmse010182,1
19,covalent,DOUB,C16,C17,,,,,29316,bmse010182,1
20,covalent,SING,C16,O25,,,,,29316,bmse010182,1
21,covalent,SING,C17,O23,,,,,29316,bmse010182,1
22,covalent,DOUB,C18,C20,,,,,29316,bmse010182,1
23,covalent,SING,C18,O24,,,,,29316,bmse010182,1
24,covalent,SING,C19,C20,,,,,29316,bmse010182,1
25,covalent,SING,C19,O25,,,,,29316,bmse010182,1
26,covalent,SING,C20,O22,,,,,29316,bmse010182,1
27,covalent,SING,C1,H26,,,,,29316,bmse010182,1
28,covalent,SING,C1,H27,,,,,29316,bmse010182,1
29,covalent,SING,C1,H28,,,,,29316,bmse010182,1
30,covalent,SING,C2,H29,,,,,29316,bmse010182,1
31,covalent,SING,C2,H30,,,,,29316,bmse010182,1
32,covalent,SING,C2,H31,,,,,29316,bmse010182,1
33,covalent,SING,C3,H32,,,,,29316,bmse010182,1
34,covalent,SING,C3,H33,,,,,29316,bmse010182,1
35,covalent,SING,C3,H34,,,,,29316,bmse010182,1
36,covalent,SING,C4,H35,,,,,29316,bmse010182,1
37,covalent,SING,C4,H36,,,,,29316,bmse010182,1
38,covalent,SING,C4,H37,,,,,29316,bmse010182,1
39,covalent,SING,C5,H38,,,,,29316,bmse010182,1
40,covalent,SING,C5,H39,,,,,29316,bmse010182,1
41,covalent,SING,C6,H40,,,,,29316,bmse010182,1
42,covalent,SING,C6,H41,,,,,29316,bmse010182,1
43,covalent,SING,C7,H42,,,,,29316,bmse010182,1
44,covalent,SING,C7,H43,,,,,29316,bmse010182,1
45,covalent,SING,C8,H44,,,,,29316,bmse010182,1
46,covalent,SING,C9,H45,,,,,29316,bmse010182,1
47,covalent,SING,C10,H46,,,,,29316,bmse010182,1
48,covalent,SING,C11,H47,,,,,29316,bmse010182,1
49,covalent,SING,C12,H48,,,,,29316,bmse010182,1
50,covalent,SING,C15,H49,,,,,29316,bmse010182,1
51,covalent,SING,O21,H50,,,,,29316,bmse010182,1
52,covalent,SING,O22,H51,,,,,29316,bmse010182,1
1,covalent,SING,C1,C7,,,,,29336,bmse010183,1
2,covalent,SING,C2,C8,,,,,29336,bmse010183,1
3,covalent,SING,C3,C15,,,,,29336,bmse010183,1
4,covalent,SING,C4,C16,,,,,29336,bmse010183,1
5,covalent,SING,C5,O27,,,,,29336,bmse010183,1
6,covalent,SING,C6,O28,,,,,29336,bmse010183,1
7,covalent,SING,C7,C9,,,,,29336,bmse010183,1
8,covalent,SING,C8,C19,,,,,29336,bmse010183,1
9,covalent,SING,C9,C17,,,,,29336,bmse010183,1
10,covalent,DOUB,C10,C11,,,,,29336,bmse010183,1
11,covalent,SING,C10,C17,,,,,29336,bmse010183,1
12,covalent,SING,C11,C20,,,,,29336,bmse010183,1
13,covalent,DOUB,C12,C17,,,,,29336,bmse010183,1
14,covalent,SING,C12,C21,,,,,29336,bmse010183,1
15,covalent,DOUB,C13,C18,,,,,29336,bmse010183,1
16,covalent,SING,C13,C22,,,,,29336,bmse010183,1
17,covalent,SING,C14,C18,,,,,29336,bmse010183,1
18,covalent,DOUB,C14,C23,,,,,29336,bmse010183,1
19,covalent,DOUB,C15,O25,,,,,29336,bmse010183,1
20,covalent,SING,C15,O29,,,,,29336,bmse010183,1
21,covalent,DOUB,C16,O26,,,,,29336,bmse010183,1
22,covalent,SING,C16,O30,,,,,29336,bmse010183,1
23,covalent,SING,C18,C19,,,,,29336,bmse010183,1
24,covalent,SING,C19,O29,,,,,29336,bmse010183,1
25,covalent,DOUB,C20,C21,,,,,29336,bmse010183,1
26,covalent,SING,C20,O31,,,,,29336,bmse010183,1
27,covalent,SING,C21,O27,,,,,29336,bmse010183,1
28,covalent,DOUB,C22,C24,,,,,29336,bmse010183,1
29,covalent,SING,C22,O28,,,,,29336,bmse010183,1
30,covalent,SING,C23,C24,,,,,29336,bmse010183,1
31,covalent,SING,C23,O31,,,,,29336,bmse010183,1
32,covalent,SING,C24,O30,,,,,29336,bmse010183,1
33,covalent,SING,C1,H32,,,,,29336,bmse010183,1
34,covalent,SING,C1,H34,,,,,29336,bmse010183,1
35,covalent,SING,C1,H33,,,,,29336,bmse010183,1
36,covalent,SING,C2,H35,,,,,29336,bmse010183,1
37,covalent,SING,C2,H37,,,,,29336,bmse010183,1
38,covalent,SING,C2,H36,,,,,29336,bmse010183,1
39,covalent,SING,C3,H38,,,,,29336,bmse010183,1
40,covalent,SING,C3,H39,,,,,29336,bmse010183,1
41,covalent,SING,C3,H40,,,,,29336,bmse010183,1
42,covalent,SING,C4,H41,,,,,29336,bmse010183,1
43,covalent,SING,C4,H42,,,,,29336,bmse010183,1
44,covalent,SING,C4,H43,,,,,29336,bmse010183,1
45,covalent,SING,C5,H45,,,,,29336,bmse010183,1
46,covalent,SING,C5,H44,,,,,29336,bmse010183,1
47,covalent,SING,C5,H46,,,,,29336,bmse010183,1
48,covalent,SING,C6,H49,,,,,29336,bmse010183,1
49,covalent,SING,C6,H47,,,,,29336,bmse010183,1
50,covalent,SING,C6,H48,,,,,29336,bmse010183,1
51,covalent,SING,C7,H50,,,,,29336,bmse010183,1
52,covalent,SING,C7,H51,,,,,29336,bmse010183,1
53,covalent,SING,C8,H52,,,,,29336,bmse010183,1
54,covalent,SING,C8,H53,,,,,29336,bmse010183,1
55,covalent,SING,C9,H54,,,,,29336,bmse010183,1
56,covalent,SING,C9,H55,,,,,29336,bmse010183,1
57,covalent,SING,C10,H56,,,,,29336,bmse010183,1
58,covalent,SING,C11,H57,,,,,29336,bmse010183,1
59,covalent,SING,C12,H58,,,,,29336,bmse010183,1
60,covalent,SING,C13,H59,,,,,29336,bmse010183,1
61,covalent,SING,C14,H60,,,,,29336,bmse010183,1
62,covalent,SING,C19,H61,,,,,29336,bmse010183,1
1,covalent,SING,C1,C4,,,,,29356,bmse010184,1
2,covalent,SING,C2,O22,,,,,29356,bmse010184,1
3,covalent,SING,C3,O23,,,,,29356,bmse010184,1
4,covalent,SING,C4,C13,,,,,29356,bmse010184,1
5,covalent,DOUB,C5,C9,,,,,29356,bmse010184,1
6,covalent,SING,C5,C11,,,,,29356,bmse010184,1
7,covalent,SING,C6,C9,,,,,29356,bmse010184,1
8,covalent,DOUB,C6,C14,,,,,29356,bmse010184,1
9,covalent,SING,C7,C10,,,,,29356,bmse010184,1
10,covalent,DOUB,C7,C12,,,,,29356,bmse010184,1
11,covalent,SING,C8,C10,,,,,29356,bmse010184,1
12,covalent,DOUB,C8,C15,,,,,29356,bmse010184,1
13,covalent,SING,C9,C13,,,,,29356,bmse010184,1
14,covalent,DOUB,C10,O18,,,,,29356,bmse010184,1
15,covalent,SING,C11,C12,,,,,29356,bmse010184,1
16,covalent,DOUB,C11,C16,,,,,29356,bmse010184,1
17,covalent,SING,C12,C17,,,,,29356,bmse010184,1
18,covalent,SING,C13,O19,,,,,29356,bmse010184,1
19,covalent,SING,C14,C16,,,,,29356,bmse010184,1
20,covalent,SING,C14,O22,,,,,29356,bmse010184,1
21,covalent,SING,C15,C17,,,,,29356,bmse010184,1
22,covalent,SING,C15,O23,,,,,29356,bmse010184,1
23,covalent,SING,C16,O20,,,,,29356,bmse010184,1
24,covalent,DOUB,C17,O21,,,,,29356,bmse010184,1
25,covalent,SING,C1,H26,,,,,29356,bmse010184,1
26,covalent,SING,C1,H24,,,,,29356,bmse010184,1
27,covalent,SING,C1,H25,,,,,29356,bmse010184,1
28,covalent,SING,C2,H28,,,,,29356,bmse010184,1
29,covalent,SING,C2,H29,,,,,29356,bmse010184,1
30,covalent,SING,C2,H27,,,,,29356,bmse010184,1
31,covalent,SING,C3,H32,,,,,29356,bmse010184,1
32,covalent,SING,C3,H30,,,,,29356,bmse010184,1
33,covalent,SING,C3,H31,,,,,29356,bmse010184,1
34,covalent,SING,C4,H33,,,,,29356,bmse010184,1
35,covalent,SING,C4,H34,,,,,29356,bmse010184,1
36,covalent,SING,C5,H35,,,,,29356,bmse010184,1
37,covalent,SING,C6,H36,,,,,29356,bmse010184,1
38,covalent,SING,C7,H37,,,,,29356,bmse010184,1
39,covalent,SING,C8,H38,,,,,29356,bmse010184,1
40,covalent,SING,C13,H39,,,,,29356,bmse010184,1
41,covalent,SING,O19,H40,,,,,29356,bmse010184,1
42,covalent,SING,O20,H41,,,,,29356,bmse010184,1
1,covalent,SING,C1,C6,,,,,29376,bmse010185,1
2,covalent,SING,C2,C11,,,,,29376,bmse010185,1
3,covalent,SING,C3,C12,,,,,29376,bmse010185,1
4,covalent,SING,C4,O26,,,,,29376,bmse010185,1
5,covalent,SING,C5,O27,,,,,29376,bmse010185,1
6,covalent,SING,C6,C17,,,,,29376,bmse010185,1
7,covalent,DOUB,C7,C13,,,,,29376,bmse010185,1
8,covalent,SING,C7,C16,,,,,29376,bmse010185,1
9,covalent,SING,C8,C13,,,,,29376,bmse010185,1
10,covalent,DOUB,C8,C19,,,,,29376,bmse010185,1
11,covalent,SING,C9,C14,,,,,29376,bmse010185,1
12,covalent,DOUB,C9,C15,,,,,29376,bmse010185,1
13,covalent,SING,C10,C14,,,,,29376,bmse010185,1
14,covalent,DOUB,C10,C18,,,,,29376,bmse010185,1
15,covalent,DOUB,C11,O22,,,,,29376,bmse010185,1
16,covalent,SING,C11,O28,,,,,29376,bmse010185,1
17,covalent,DOUB,C12,O23,,,,,29376,bmse010185,1
18,covalent,SING,C12,O29,,,,,29376,bmse010185,1
19,covalent,SING,C13,C17,,,,,29376,bmse010185,1
20,covalent,DOUB,C14,O24,,,,,29376,bmse010185,1
21,covalent,SING,C15,C16,,,,,29376,bmse010185,1
22,covalent,SING,C15,C20,,,,,29376,bmse010185,1
23,covalent,DOUB,C16,C21,,,,,29376,bmse010185,1
24,covalent,SING,C17,O28,,,,,29376,bmse010185,1
25,covalent,SING,C18,C20,,,,,29376,bmse010185,1
26,covalent,SING,C18,O26,,,,,29376,bmse010185,1
27,covalent,SING,C19,C21,,,,,29376,bmse010185,1
28,covalent,SING,C19,O27,,,,,29376,bmse010185,1
29,covalent,DOUB,C20,O25,,,,,29376,bmse010185,1
30,covalent,SING,C21,O29,,,,,29376,bmse010185,1
31,covalent,SING,C1,H31,,,,,29376,bmse010185,1
32,covalent,SING,C1,H30,,,,,29376,bmse010185,1
33,covalent,SING,C1,H32,,,,,29376,bmse010185,1
34,covalent,SING,C2,H34,,,,,29376,bmse010185,1
35,covalent,SING,C2,H33,,,,,29376,bmse010185,1
36,covalent,SING,C2,H35,,,,,29376,bmse010185,1
37,covalent,SING,C3,H38,,,,,29376,bmse010185,1
38,covalent,SING,C3,H36,,,,,29376,bmse010185,1
39,covalent,SING,C3,H37,,,,,29376,bmse010185,1
40,covalent,SING,C4,H40,,,,,29376,bmse010185,1
41,covalent,SING,C4,H39,,,,,29376,bmse010185,1
42,covalent,SING,C4,H41,,,,,29376,bmse010185,1
43,covalent,SING,C5,H44,,,,,29376,bmse010185,1
44,covalent,SING,C5,H43,,,,,29376,bmse010185,1
45,covalent,SING,C5,H42,,,,,29376,bmse010185,1
46,covalent,SING,C6,H45,,,,,29376,bmse010185,1
47,covalent,SING,C6,H46,,,,,29376,bmse010185,1
48,covalent,SING,C7,H47,,,,,29376,bmse010185,1
49,covalent,SING,C8,H48,,,,,29376,bmse010185,1
50,covalent,SING,C9,H49,,,,,29376,bmse010185,1
51,covalent,SING,C10,H50,,,,,29376,bmse010185,1
52,covalent,SING,C17,H51,,,,,29376,bmse010185,1
1,covalent,SING,C1,O13,,,,,29396,bmse010186,1
2,covalent,SING,C2,C3,,,,,29396,bmse010186,1
3,covalent,SING,C2,C6,,,,,29396,bmse010186,1
4,covalent,SING,C3,C8,,,,,29396,bmse010186,1
5,covalent,DOUB,C4,C5,,,,,29396,bmse010186,1
6,covalent,SING,C4,C8,,,,,29396,bmse010186,1
7,covalent,SING,C5,C9,,,,,29396,bmse010186,1
8,covalent,SING,C6,O11,,,,,29396,bmse010186,1
9,covalent,DOUB,C7,C8,,,,,29396,bmse010186,1
10,covalent,SING,C7,C10,,,,,29396,bmse010186,1
11,covalent,DOUB,C9,C10,,,,,29396,bmse010186,1
12,covalent,SING,C9,O12,,,,,29396,bmse010186,1
13,covalent,SING,C10,O13,,,,,29396,bmse010186,1
14,covalent,SING,C1,H14,,,,,29396,bmse010186,1
15,covalent,SING,C1,H15,,,,,29396,bmse010186,1
16,covalent,SING,C1,H16,,,,,29396,bmse010186,1
17,covalent,SING,C2,H17,,,,,29396,bmse010186,1
18,covalent,SING,C2,H18,,,,,29396,bmse010186,1
19,covalent,SING,C3,H19,,,,,29396,bmse010186,1
20,covalent,SING,C3,H20,,,,,29396,bmse010186,1
21,covalent,SING,C4,H21,,,,,29396,bmse010186,1
22,covalent,SING,C5,H22,,,,,29396,bmse010186,1
23,covalent,SING,C6,H23,,,,,29396,bmse010186,1
24,covalent,SING,C6,H24,,,,,29396,bmse010186,1
25,covalent,SING,C7,H25,,,,,29396,bmse010186,1
26,covalent,SING,O11,H26,,,,,29396,bmse010186,1
27,covalent,SING,O12,H27,,,,,29396,bmse010186,1
1,covalent,SING,C1,C10,,,,,29416,bmse010187,1
2,covalent,SING,C2,C11,,,,,29416,bmse010187,1
3,covalent,SING,C3,O17,,,,,29416,bmse010187,1
4,covalent,SING,C4,C5,,,,,29416,bmse010187,1
5,covalent,SING,C4,C8,,,,,29416,bmse010187,1
6,covalent,SING,C5,C12,,,,,29416,bmse010187,1
7,covalent,DOUB,C6,C7,,,,,29416,bmse010187,1
8,covalent,SING,C6,C12,,,,,29416,bmse010187,1
9,covalent,SING,C7,C13,,,,,29416,bmse010187,1
10,covalent,SING,C8,O18,,,,,29416,bmse010187,1
11,covalent,DOUB,C9,C12,,,,,29416,bmse010187,1
12,covalent,SING,C9,C14,,,,,29416,bmse010187,1
13,covalent,DOUB,C10,O15,,,,,29416,bmse010187,1
14,covalent,SING,C10,O18,,,,,29416,bmse010187,1
15,covalent,DOUB,C11,O16,,,,,29416,bmse010187,1
16,covalent,SING,C11,O19,,,,,29416,bmse010187,1
17,covalent,DOUB,C13,C14,,,,,29416,bmse010187,1
18,covalent,SING,C13,O19,,,,,29416,bmse010187,1
19,covalent,SING,C14,O17,,,,,29416,bmse010187,1
20,covalent,SING,C1,H20,,,,,29416,bmse010187,1
21,covalent,SING,C1,H21,,,,,29416,bmse010187,1
22,covalent,SING,C1,H22,,,,,29416,bmse010187,1
23,covalent,SING,C2,H24,,,,,29416,bmse010187,1
24,covalent,SING,C2,H23,,,,,29416,bmse010187,1
25,covalent,SING,C2,H25,,,,,29416,bmse010187,1
26,covalent,SING,C3,H27,,,,,29416,bmse010187,1
27,covalent,SING,C3,H28,,,,,29416,bmse010187,1
28,covalent,SING,C3,H26,,,,,29416,bmse010187,1
29,covalent,SING,C4,H29,,,,,29416,bmse010187,1
30,covalent,SING,C4,H30,,,,,29416,bmse010187,1
31,covalent,SING,C5,H31,,,,,29416,bmse010187,1
32,covalent,SING,C5,H32,,,,,29416,bmse010187,1
33,covalent,SING,C6,H33,,,,,29416,bmse010187,1
34,covalent,SING,C7,H34,,,,,29416,bmse010187,1
35,covalent,SING,C8,H35,,,,,29416,bmse010187,1
36,covalent,SING,C8,H36,,,,,29416,bmse010187,1
37,covalent,SING,C9,H37,,,,,29416,bmse010187,1
1,covalent,SING,C1,C5,,,,,29436,bmse010188,1
2,covalent,SING,C2,C6,,,,,29436,bmse010188,1
3,covalent,SING,C3,O25,,,,,29436,bmse010188,1
4,covalent,SING,C4,O26,,,,,29436,bmse010188,1
5,covalent,SING,C5,C15,,,,,29436,bmse010188,1
6,covalent,SING,C6,C16,,,,,29436,bmse010188,1
7,covalent,DOUB,C7,C11,,,,,29436,bmse010188,1
8,covalent,SING,C7,C13,,,,,29436,bmse010188,1
9,covalent,DOUB,C8,C12,,,,,29436,bmse010188,1
10,covalent,SING,C8,C14,,,,,29436,bmse010188,1
11,covalent,SING,C9,C11,,,,,29436,bmse010188,1
12,covalent,DOUB,C9,C17,,,,,29436,bmse010188,1
13,covalent,SING,C10,C12,,,,,29436,bmse010188,1
14,covalent,DOUB,C10,C18,,,,,29436,bmse010188,1
15,covalent,SING,C11,C15,,,,,29436,bmse010188,1
16,covalent,SING,C12,C16,,,,,29436,bmse010188,1
17,covalent,SING,C13,C14,,,,,29436,bmse010188,1
18,covalent,DOUB,C13,C19,,,,,29436,bmse010188,1
19,covalent,DOUB,C14,C20,,,,,29436,bmse010188,1
20,covalent,SING,C15,O21,,,,,29436,bmse010188,1
21,covalent,SING,C16,O22,,,,,29436,bmse010188,1
22,covalent,SING,C17,C19,,,,,29436,bmse010188,1
23,covalent,SING,C17,O25,,,,,29436,bmse010188,1
24,covalent,SING,C18,C20,,,,,29436,bmse010188,1
25,covalent,SING,C18,O26,,,,,29436,bmse010188,1
26,covalent,SING,C19,O23,,,,,29436,bmse010188,1
27,covalent,SING,C20,O24,,,,,29436,bmse010188,1
28,covalent,SING,C1,H29,,,,,29436,bmse010188,1
29,covalent,SING,C1,H27,,,,,29436,bmse010188,1
30,covalent,SING,C1,H28,,,,,29436,bmse010188,1
31,covalent,SING,C2,H30,,,,,29436,bmse010188,1
32,covalent,SING,C2,H32,,,,,29436,bmse010188,1
33,covalent,SING,C2,H31,,,,,29436,bmse010188,1
34,covalent,SING,C3,H33,,,,,29436,bmse010188,1
35,covalent,SING,C3,H34,,,,,29436,bmse010188,1
36,covalent,SING,C3,H35,,,,,29436,bmse010188,1
37,covalent,SING,C4,H38,,,,,29436,bmse010188,1
38,covalent,SING,C4,H37,,,,,29436,bmse010188,1
39,covalent,SING,C4,H36,,,,,29436,bmse010188,1
40,covalent,SING,C5,H39,,,,,29436,bmse010188,1
41,covalent,SING,C5,H40,,,,,29436,bmse010188,1
42,covalent,SING,C6,H41,,,,,29436,bmse010188,1
43,covalent,SING,C6,H42,,,,,29436,bmse010188,1
44,covalent,SING,C7,H43,,,,,29436,bmse010188,1
45,covalent,SING,C8,H44,,,,,29436,bmse010188,1
46,covalent,SING,C9,H45,,,,,29436,bmse010188,1
47,covalent,SING,C10,H46,,,,,29436,bmse010188,1
48,covalent,SING,C15,H47,,,,,29436,bmse010188,1
49,covalent,SING,C16,H48,,,,,29436,bmse010188,1
50,covalent,SING,O21,H49,,,,,29436,bmse010188,1
51,covalent,SING,O22,H50,,,,,29436,bmse010188,1
52,covalent,SING,O23,H51,,,,,29436,bmse010188,1
53,covalent,SING,O24,H52,,,,,29436,bmse010188,1
1,covalent,SING,C1,C9,,,,,29456,bmse010189,1
2,covalent,SING,C2,C10,,,,,29456,bmse010189,1
3,covalent,SING,C3,C15,,,,,29456,bmse010189,1
4,covalent,SING,C4,C16,,,,,29456,bmse010189,1
5,covalent,SING,C5,C17,,,,,29456,bmse010189,1
6,covalent,SING,C6,C18,,,,,29456,bmse010189,1
7,covalent,SING,C7,O33,,,,,29456,bmse010189,1
8,covalent,SING,C8,O34,,,,,29456,bmse010189,1
9,covalent,SING,C9,C23,,,,,29456,bmse010189,1
10,covalent,SING,C10,C24,,,,,29456,bmse010189,1
11,covalent,DOUB,C11,C19,,,,,29456,bmse010189,1
12,covalent,SING,C11,C21,,,,,29456,bmse010189,1
13,covalent,DOUB,C12,C20,,,,,29456,bmse010189,1
14,covalent,SING,C12,C22,,,,,29456,bmse010189,1
15,covalent,SING,C13,C19,,,,,29456,bmse010189,1
16,covalent,DOUB,C13,C25,,,,,29456,bmse010189,1
17,covalent,SING,C14,C20,,,,,29456,bmse010189,1
18,covalent,DOUB,C14,C26,,,,,29456,bmse010189,1
19,covalent,SING,C15,O35,,,,,29456,bmse010189,1
20,covalent,DOUB,C16,O30,,,,,29456,bmse010189,1
21,covalent,SING,C16,O36,,,,,29456,bmse010189,1
22,covalent,DOUB,C17,O31,,,,,29456,bmse010189,1
23,covalent,SING,C17,O37,,,,,29456,bmse010189,1
24,covalent,DOUB,C18,O32,,,,,29456,bmse010189,1
25,covalent,SING,C18,O38,,,,,29456,bmse010189,1
26,covalent,SING,C19,C23,,,,,29456,bmse010189,1
27,covalent,SING,C20,C24,,,,,29456,bmse010189,1
28,covalent,SING,C21,C22,,,,,29456,bmse010189,1
29,covalent,DOUB,C21,C27,,,,,29456,bmse010189,1
30,covalent,DOUB,C22,C28,,,,,29456,bmse010189,1
31,covalent,SING,C23,O35,,,,,29456,bmse010189,1
32,covalent,SING,C24,O36,,,,,29456,bmse010189,1
33,covalent,SING,C25,C27,,,,,29456,bmse010189,1
34,covalent,SING,C25,O33,,,,,29456,bmse010189,1
35,covalent,SING,C26,C28,,,,,29456,bmse010189,1
36,covalent,SING,C26,O34,,,,,29456,bmse010189,1
37,covalent,SING,C27,O37,,,,,29456,bmse010189,1
38,covalent,SING,C28,O38,,,,,29456,bmse010189,1
39,covalent,DOUB,C15,O29,,,,,29456,bmse010189,1
40,covalent,SING,C1,H39,,,,,29456,bmse010189,1
41,covalent,SING,C1,H40,,,,,29456,bmse010189,1
42,covalent,SING,C1,H41,,,,,29456,bmse010189,1
43,covalent,SING,C2,H44,,,,,29456,bmse010189,1
44,covalent,SING,C2,H43,,,,,29456,bmse010189,1
45,covalent,SING,C2,H42,,,,,29456,bmse010189,1
46,covalent,SING,C3,H45,,,,,29456,bmse010189,1
47,covalent,SING,C3,H46,,,,,29456,bmse010189,1
48,covalent,SING,C3,H47,,,,,29456,bmse010189,1
49,covalent,SING,C4,H50,,,,,29456,bmse010189,1
50,covalent,SING,C4,H49,,,,,29456,bmse010189,1
51,covalent,SING,C4,H48,,,,,29456,bmse010189,1
52,covalent,SING,C5,H53,,,,,29456,bmse010189,1
53,covalent,SING,C5,H52,,,,,29456,bmse010189,1
54,covalent,SING,C5,H51,,,,,29456,bmse010189,1
55,covalent,SING,C6,H54,,,,,29456,bmse010189,1
56,covalent,SING,C6,H55,,,,,29456,bmse010189,1
57,covalent,SING,C6,H56,,,,,29456,bmse010189,1
58,covalent,SING,C7,H57,,,,,29456,bmse010189,1
59,covalent,SING,C7,H58,,,,,29456,bmse010189,1
60,covalent,SING,C7,H59,,,,,29456,bmse010189,1
61,covalent,SING,C8,H62,,,,,29456,bmse010189,1
62,covalent,SING,C8,H61,,,,,29456,bmse010189,1
63,covalent,SING,C8,H60,,,,,29456,bmse010189,1
64,covalent,SING,C9,H63,,,,,29456,bmse010189,1
65,covalent,SING,C9,H64,,,,,29456,bmse010189,1
66,covalent,SING,C10,H65,,,,,29456,bmse010189,1
67,covalent,SING,C10,H66,,,,,29456,bmse010189,1
68,covalent,SING,C11,H67,,,,,29456,bmse010189,1
69,covalent,SING,C12,H68,,,,,29456,bmse010189,1
70,covalent,SING,C13,H69,,,,,29456,bmse010189,1
71,covalent,SING,C14,H70,,,,,29456,bmse010189,1
72,covalent,SING,C23,H71,,,,,29456,bmse010189,1
73,covalent,SING,C24,H72,,,,,29456,bmse010189,1
1,covalent,SING,C1,C5,,,,,29476,bmse010190,1
2,covalent,SING,C2,C6,,,,,29476,bmse010190,1
3,covalent,SING,C3,O24,,,,,29476,bmse010190,1
4,covalent,SING,C4,O25,,,,,29476,bmse010190,1
5,covalent,SING,C5,C7,,,,,29476,bmse010190,1
6,covalent,SING,C6,C8,,,,,29476,bmse010190,1
7,covalent,SING,C7,C14,,,,,29476,bmse010190,1
8,covalent,SING,C8,C15,,,,,29476,bmse010190,1
9,covalent,DOUB,C9,C14,,,,,29476,bmse010190,1
10,covalent,SING,C9,C16,,,,,29476,bmse010190,1
11,covalent,DOUB,C10,C15,,,,,29476,bmse010190,1
12,covalent,SING,C10,C17,,,,,29476,bmse010190,1
13,covalent,SING,C11,C14,,,,,29476,bmse010190,1
14,covalent,DOUB,C11,C18,,,,,29476,bmse010190,1
15,covalent,SING,C12,C15,,,,,29476,bmse010190,1
16,covalent,DOUB,C12,C19,,,,,29476,bmse010190,1
17,covalent,SING,C13,C16,,,,,29476,bmse010190,1
18,covalent,SING,C13,C17,,,,,29476,bmse010190,1
19,covalent,DOUB,C16,C20,,,,,29476,bmse010190,1
20,covalent,DOUB,C17,C21,,,,,29476,bmse010190,1
21,covalent,SING,C18,C20,,,,,29476,bmse010190,1
22,covalent,SING,C18,O24,,,,,29476,bmse010190,1
23,covalent,SING,C19,C21,,,,,29476,bmse010190,1
24,covalent,SING,C19,O25,,,,,29476,bmse010190,1
25,covalent,SING,C20,O22,,,,,29476,bmse010190,1
26,covalent,SING,C21,O23,,,,,29476,bmse010190,1
27,covalent,SING,C1,H27,,,,,29476,bmse010190,1
28,covalent,SING,C1,H26,,,,,29476,bmse010190,1
29,covalent,SING,C1,H28,,,,,29476,bmse010190,1
30,covalent,SING,C2,H29,,,,,29476,bmse010190,1
31,covalent,SING,C2,H30,,,,,29476,bmse010190,1
32,covalent,SING,C2,H31,,,,,29476,bmse010190,1
33,covalent,SING,C3,H32,,,,,29476,bmse010190,1
34,covalent,SING,C3,H34,,,,,29476,bmse010190,1
35,covalent,SING,C3,H33,,,,,29476,bmse010190,1
36,covalent,SING,C4,H37,,,,,29476,bmse010190,1
37,covalent,SING,C4,H35,,,,,29476,bmse010190,1
38,covalent,SING,C4,H36,,,,,29476,bmse010190,1
39,covalent,SING,C5,H38,,,,,29476,bmse010190,1
40,covalent,SING,C5,H39,,,,,29476,bmse010190,1
41,covalent,SING,C6,H40,,,,,29476,bmse010190,1
42,covalent,SING,C6,H41,,,,,29476,bmse010190,1
43,covalent,SING,C7,H42,,,,,29476,bmse010190,1
44,covalent,SING,C7,H43,,,,,29476,bmse010190,1
45,covalent,SING,C8,H44,,,,,29476,bmse010190,1
46,covalent,SING,C8,H45,,,,,29476,bmse010190,1
47,covalent,SING,C9,H46,,,,,29476,bmse010190,1
48,covalent,SING,C10,H47,,,,,29476,bmse010190,1
49,covalent,SING,C11,H48,,,,,29476,bmse010190,1
50,covalent,SING,C12,H49,,,,,29476,bmse010190,1
51,covalent,SING,C13,H50,,,,,29476,bmse010190,1
52,covalent,SING,C13,H51,,,,,29476,bmse010190,1
53,covalent,SING,O22,H52,,,,,29476,bmse010190,1
54,covalent,SING,O23,H53,,,,,29476,bmse010190,1
1,covalent,SING,C1,C7,,,,,29496,bmse010191,1
2,covalent,SING,C2,C8,,,,,29496,bmse010191,1
3,covalent,SING,C3,C9,,,,,29496,bmse010191,1
4,covalent,SING,C4,O36,,,,,29496,bmse010191,1
5,covalent,SING,C5,O37,,,,,29496,bmse010191,1
6,covalent,SING,C6,O38,,,,,29496,bmse010191,1
7,covalent,SING,C7,C21,,,,,29496,bmse010191,1
8,covalent,SING,C8,C22,,,,,29496,bmse010191,1
9,covalent,SING,C9,C23,,,,,29496,bmse010191,1
10,covalent,DOUB,C10,C16,,,,,29496,bmse010191,1
11,covalent,SING,C10,C19,,,,,29496,bmse010191,1
12,covalent,DOUB,C11,C17,,,,,29496,bmse010191,1
13,covalent,SING,C11,C20,,,,,29496,bmse010191,1
14,covalent,SING,C12,C16,,,,,29496,bmse010191,1
15,covalent,DOUB,C12,C24,,,,,29496,bmse010191,1
16,covalent,DOUB,C13,C18,,,,,29496,bmse010191,1
17,covalent,SING,C13,C25,,,,,29496,bmse010191,1
18,covalent,SING,C14,C18,,,,,29496,bmse010191,1
19,covalent,DOUB,C14,C26,,,,,29496,bmse010191,1
20,covalent,SING,C15,C17,,,,,29496,bmse010191,1
21,covalent,DOUB,C15,C27,,,,,29496,bmse010191,1
22,covalent,SING,C16,C21,,,,,29496,bmse010191,1
23,covalent,SING,C17,C22,,,,,29496,bmse010191,1
24,covalent,SING,C18,C23,,,,,29496,bmse010191,1
25,covalent,SING,C19,C20,,,,,29496,bmse010191,1
26,covalent,DOUB,C19,C28,,,,,29496,bmse010191,1
27,covalent,DOUB,C20,C30,,,,,29496,bmse010191,1
28,covalent,SING,C21,O31,,,,,29496,bmse010191,1
29,covalent,SING,C22,O32,,,,,29496,bmse010191,1
30,covalent,SING,C23,O33,,,,,29496,bmse010191,1
31,covalent,SING,C24,C28,,,,,29496,bmse010191,1
32,covalent,SING,C24,O36,,,,,29496,bmse010191,1
33,covalent,DOUB,C25,C29,,,,,29496,bmse010191,1
34,covalent,SING,C25,O37,,,,,29496,bmse010191,1
35,covalent,SING,C26,C29,,,,,29496,bmse010191,1
36,covalent,SING,C26,O39,,,,,29496,bmse010191,1
37,covalent,SING,C27,C30,,,,,29496,bmse010191,1
38,covalent,SING,C27,O38,,,,,29496,bmse010191,1
39,covalent,SING,C28,O34,,,,,29496,bmse010191,1
40,covalent,SING,C29,O35,,,,,29496,bmse010191,1
41,covalent,SING,C30,O39,,,,,29496,bmse010191,1
42,covalent,SING,C1,H42,,,,,29496,bmse010191,1
43,covalent,SING,C1,H40,,,,,29496,bmse010191,1
44,covalent,SING,C1,H41,,,,,29496,bmse010191,1
45,covalent,SING,C2,H45,,,,,29496,bmse010191,1
46,covalent,SING,C2,H44,,,,,29496,bmse010191,1
47,covalent,SING,C2,H43,,,,,29496,bmse010191,1
48,covalent,SING,C3,H46,,,,,29496,bmse010191,1
49,covalent,SING,C3,H47,,,,,29496,bmse010191,1
50,covalent,SING,C3,H48,,,,,29496,bmse010191,1
51,covalent,SING,C4,H49,,,,,29496,bmse010191,1
52,covalent,SING,C4,H50,,,,,29496,bmse010191,1
53,covalent,SING,C4,H51,,,,,29496,bmse010191,1
54,covalent,SING,C5,H53,,,,,29496,bmse010191,1
55,covalent,SING,C5,H52,,,,,29496,bmse010191,1
56,covalent,SING,C5,H54,,,,,29496,bmse010191,1
57,covalent,SING,C6,H56,,,,,29496,bmse010191,1
58,covalent,SING,C6,H57,,,,,29496,bmse010191,1
59,covalent,SING,C6,H55,,,,,29496,bmse010191,1
60,covalent,SING,C7,H58,,,,,29496,bmse010191,1
61,covalent,SING,C7,H59,,,,,29496,bmse010191,1
62,covalent,SING,C8,H60,,,,,29496,bmse010191,1
63,covalent,SING,C8,H61,,,,,29496,bmse010191,1
64,covalent,SING,C9,H62,,,,,29496,bmse010191,1
65,covalent,SING,C9,H63,,,,,29496,bmse010191,1
66,covalent,SING,C10,H64,,,,,29496,bmse010191,1
67,covalent,SING,C11,H65,,,,,29496,bmse010191,1
68,covalent,SING,C12,H66,,,,,29496,bmse010191,1
69,covalent,SING,C13,H67,,,,,29496,bmse010191,1
70,covalent,SING,C14,H68,,,,,29496,bmse010191,1
71,covalent,SING,C15,H69,,,,,29496,bmse010191,1
72,covalent,SING,C21,H70,,,,,29496,bmse010191,1
73,covalent,SING,C22,H71,,,,,29496,bmse010191,1
74,covalent,SING,C23,H72,,,,,29496,bmse010191,1
75,covalent,SING,O31,H73,,,,,29496,bmse010191,1
76,covalent,SING,O32,H74,,,,,29496,bmse010191,1
77,covalent,SING,O33,H75,,,,,29496,bmse010191,1
78,covalent,SING,O34,H76,,,,,29496,bmse010191,1
79,covalent,SING,O35,H77,,,,,29496,bmse010191,1
1,covalent,SING,C1,O16,,,,,29516,bmse010192,1
2,covalent,SING,C2,O17,,,,,29516,bmse010192,1
3,covalent,DOUB,C3,C6,,,,,29516,bmse010192,1
4,covalent,SING,C3,C8,,,,,29516,bmse010192,1
5,covalent,SING,C4,C6,,,,,29516,bmse010192,1
6,covalent,DOUB,C4,C9,,,,,29516,bmse010192,1
7,covalent,SING,C5,C7,,,,,29516,bmse010192,1
8,covalent,SING,C5,O12,,,,,29516,bmse010192,1
9,covalent,SING,C6,C10,,,,,29516,bmse010192,1
10,covalent,SING,C7,C10,,,,,29516,bmse010192,1
11,covalent,SING,C7,O13,,,,,29516,bmse010192,1
12,covalent,DOUB,C8,C11,,,,,29516,bmse010192,1
13,covalent,SING,C8,O16,,,,,29516,bmse010192,1
14,covalent,SING,C9,C11,,,,,29516,bmse010192,1
15,covalent,SING,C9,O17,,,,,29516,bmse010192,1
16,covalent,SING,C10,O14,,,,,29516,bmse010192,1
17,covalent,SING,C11,O15,,,,,29516,bmse010192,1
18,covalent,SING,C1,H18,,,,,29516,bmse010192,1
19,covalent,SING,C1,H20,,,,,29516,bmse010192,1
20,covalent,SING,C1,H19,,,,,29516,bmse010192,1
21,covalent,SING,C2,H21,,,,,29516,bmse010192,1
22,covalent,SING,C2,H23,,,,,29516,bmse010192,1
23,covalent,SING,C2,H22,,,,,29516,bmse010192,1
24,covalent,SING,C3,H24,,,,,29516,bmse010192,1
25,covalent,SING,C4,H25,,,,,29516,bmse010192,1
26,covalent,SING,C5,H26,,,,,29516,bmse010192,1
27,covalent,SING,C5,H27,,,,,29516,bmse010192,1
28,covalent,SING,C7,H28,,,,,29516,bmse010192,1
29,covalent,SING,C10,H29,,,,,29516,bmse010192,1
30,covalent,SING,O12,H30,,,,,29516,bmse010192,1
31,covalent,SING,O13,H31,,,,,29516,bmse010192,1
32,covalent,SING,O14,H32,,,,,29516,bmse010192,1
33,covalent,SING,O15,H33,,,,,29516,bmse010192,1
1,covalent,SING,C1,C6,,,,,29536,bmse010193,1
2,covalent,SING,C2,C7,,,,,29536,bmse010193,1
3,covalent,SING,C3,O22,,,,,29536,bmse010193,1
4,covalent,SING,C4,O23,,,,,29536,bmse010193,1
5,covalent,SING,C5,O24,,,,,29536,bmse010193,1
6,covalent,SING,C6,C8,,,,,29536,bmse010193,1
7,covalent,SING,C7,C9,,,,,29536,bmse010193,1
8,covalent,SING,C8,C15,,,,,29536,bmse010193,1
9,covalent,SING,C9,C16,,,,,29536,bmse010193,1
10,covalent,DOUB,C10,C11,,,,,29536,bmse010193,1
11,covalent,SING,C10,C15,,,,,29536,bmse010193,1
12,covalent,SING,C11,C17,,,,,29536,bmse010193,1
13,covalent,DOUB,C12,C15,,,,,29536,bmse010193,1
14,covalent,SING,C12,C18,,,,,29536,bmse010193,1
15,covalent,DOUB,C13,C16,,,,,29536,bmse010193,1
16,covalent,SING,C13,C19,,,,,29536,bmse010193,1
17,covalent,SING,C14,C16,,,,,29536,bmse010193,1
18,covalent,DOUB,C14,C20,,,,,29536,bmse010193,1
19,covalent,DOUB,C17,C18,,,,,29536,bmse010193,1
20,covalent,SING,C17,O25,,,,,29536,bmse010193,1
21,covalent,SING,C18,O22,,,,,29536,bmse010193,1
22,covalent,DOUB,C19,C21,,,,,29536,bmse010193,1
23,covalent,SING,C19,O23,,,,,29536,bmse010193,1
24,covalent,SING,C20,C21,,,,,29536,bmse010193,1
25,covalent,SING,C20,O25,,,,,29536,bmse010193,1
26,covalent,SING,C21,O24,,,,,29536,bmse010193,1
27,covalent,SING,C1,H26,,,,,29536,bmse010193,1
28,covalent,SING,C1,H28,,,,,29536,bmse010193,1
29,covalent,SING,C1,H27,,,,,29536,bmse010193,1
30,covalent,SING,C2,H29,,,,,29536,bmse010193,1
31,covalent,SING,C2,H30,,,,,29536,bmse010193,1
32,covalent,SING,C2,H31,,,,,29536,bmse010193,1
33,covalent,SING,C3,H33,,,,,29536,bmse010193,1
34,covalent,SING,C3,H32,,,,,29536,bmse010193,1
35,covalent,SING,C3,H34,,,,,29536,bmse010193,1
36,covalent,SING,C4,H37,,,,,29536,bmse010193,1
37,covalent,SING,C4,H35,,,,,29536,bmse010193,1
38,covalent,SING,C4,H36,,,,,29536,bmse010193,1
39,covalent,SING,C5,H40,,,,,29536,bmse010193,1
40,covalent,SING,C5,H38,,,,,29536,bmse010193,1
41,covalent,SING,C5,H39,,,,,29536,bmse010193,1
42,covalent,SING,C6,H41,,,,,29536,bmse010193,1
43,covalent,SING,C6,H42,,,,,29536,bmse010193,1
44,covalent,SING,C7,H43,,,,,29536,bmse010193,1
45,covalent,SING,C7,H44,,,,,29536,bmse010193,1
46,covalent,SING,C8,H45,,,,,29536,bmse010193,1
47,covalent,SING,C8,H46,,,,,29536,bmse010193,1
48,covalent,SING,C9,H47,,,,,29536,bmse010193,1
49,covalent,SING,C9,H48,,,,,29536,bmse010193,1
50,covalent,SING,C10,H49,,,,,29536,bmse010193,1
51,covalent,SING,C11,H50,,,,,29536,bmse010193,1
52,covalent,SING,C12,H51,,,,,29536,bmse010193,1
53,covalent,SING,C13,H52,,,,,29536,bmse010193,1
54,covalent,SING,C14,H53,,,,,29536,bmse010193,1
1,covalent,SING,C1,C5,,,,,29556,bmse010194,1
2,covalent,SING,C2,C6,,,,,29556,bmse010194,1
3,covalent,SING,C3,O22,,,,,29556,bmse010194,1
4,covalent,SING,C4,O23,,,,,29556,bmse010194,1
5,covalent,SING,C5,C7,,,,,29556,bmse010194,1
6,covalent,SING,C6,C8,,,,,29556,bmse010194,1
7,covalent,SING,C7,C14,,,,,29556,bmse010194,1
8,covalent,SING,C8,C15,,,,,29556,bmse010194,1
9,covalent,DOUB,C9,C10,,,,,29556,bmse010194,1
10,covalent,SING,C9,C14,,,,,29556,bmse010194,1
11,covalent,SING,C10,C16,,,,,29556,bmse010194,1
12,covalent,DOUB,C11,C14,,,,,29556,bmse010194,1
13,covalent,SING,C11,C17,,,,,29556,bmse010194,1
14,covalent,DOUB,C12,C15,,,,,29556,bmse010194,1
15,covalent,SING,C12,C18,,,,,29556,bmse010194,1
16,covalent,SING,C13,C15,,,,,29556,bmse010194,1
17,covalent,DOUB,C13,C19,,,,,29556,bmse010194,1
18,covalent,DOUB,C16,C17,,,,,29556,bmse010194,1
19,covalent,SING,C16,O24,,,,,29556,bmse010194,1
20,covalent,SING,C17,O22,,,,,29556,bmse010194,1
21,covalent,DOUB,C18,C20,,,,,29556,bmse010194,1
22,covalent,SING,C18,O23,,,,,29556,bmse010194,1
23,covalent,SING,C19,C20,,,,,29556,bmse010194,1
24,covalent,SING,C19,O24,,,,,29556,bmse010194,1
25,covalent,SING,C20,O21,,,,,29556,bmse010194,1
26,covalent,SING,C1,H25,,,,,29556,bmse010194,1
27,covalent,SING,C1,H26,,,,,29556,bmse010194,1
28,covalent,SING,C1,H27,,,,,29556,bmse010194,1
29,covalent,SING,C2,H28,,,,,29556,bmse010194,1
30,covalent,SING,C2,H29,,,,,29556,bmse010194,1
31,covalent,SING,C2,H30,,,,,29556,bmse010194,1
32,covalent,SING,C3,H32,,,,,29556,bmse010194,1
33,covalent,SING,C3,H31,,,,,29556,bmse010194,1
34,covalent,SING,C3,H33,,,,,29556,bmse010194,1
35,covalent,SING,C4,H36,,,,,29556,bmse010194,1
36,covalent,SING,C4,H34,,,,,29556,bmse010194,1
37,covalent,SING,C4,H35,,,,,29556,bmse010194,1
38,covalent,SING,C5,H37,,,,,29556,bmse010194,1
39,covalent,SING,C5,H38,,,,,29556,bmse010194,1
40,covalent,SING,C6,H39,,,,,29556,bmse010194,1
41,covalent,SING,C6,H40,,,,,29556,bmse010194,1
42,covalent,SING,C7,H41,,,,,29556,bmse010194,1
43,covalent,SING,C7,H42,,,,,29556,bmse010194,1
44,covalent,SING,C8,H43,,,,,29556,bmse010194,1
45,covalent,SING,C8,H44,,,,,29556,bmse010194,1
46,covalent,SING,C9,H45,,,,,29556,bmse010194,1
47,covalent,SING,C10,H46,,,,,29556,bmse010194,1
48,covalent,SING,C11,H47,,,,,29556,bmse010194,1
49,covalent,SING,C12,H48,,,,,29556,bmse010194,1
50,covalent,SING,C13,H49,,,,,29556,bmse010194,1
51,covalent,SING,O21,H50,,,,,29556,bmse010194,1
1,covalent,SING,C1,C6,,,,,29576,bmse010195,1
2,covalent,SING,C2,C7,,,,,29576,bmse010195,1
3,covalent,SING,C3,C15,,,,,29576,bmse010195,1
4,covalent,SING,C4,O24,,,,,29576,bmse010195,1
5,covalent,SING,C5,O25,,,,,29576,bmse010195,1
6,covalent,SING,C6,C8,,,,,29576,bmse010195,1
7,covalent,SING,C7,C9,,,,,29576,bmse010195,1
8,covalent,SING,C8,C16,,,,,29576,bmse010195,1
9,covalent,SING,C9,C17,,,,,29576,bmse010195,1
10,covalent,DOUB,C10,C11,,,,,29576,bmse010195,1
11,covalent,SING,C10,C16,,,,,29576,bmse010195,1
12,covalent,SING,C11,C18,,,,,29576,bmse010195,1
13,covalent,DOUB,C12,C16,,,,,29576,bmse010195,1
14,covalent,SING,C12,C19,,,,,29576,bmse010195,1
15,covalent,DOUB,C13,C17,,,,,29576,bmse010195,1
16,covalent,SING,C13,C20,,,,,29576,bmse010195,1
17,covalent,SING,C14,C17,,,,,29576,bmse010195,1
18,covalent,DOUB,C14,C21,,,,,29576,bmse010195,1
19,covalent,DOUB,C15,O23,,,,,29576,bmse010195,1
20,covalent,SING,C15,O26,,,,,29576,bmse010195,1
21,covalent,DOUB,C18,C19,,,,,29576,bmse010195,1
22,covalent,SING,C18,O27,,,,,29576,bmse010195,1
23,covalent,SING,C19,O24,,,,,29576,bmse010195,1
24,covalent,DOUB,C20,C22,,,,,29576,bmse010195,1
25,covalent,SING,C20,O25,,,,,29576,bmse010195,1
26,covalent,SING,C21,C22,,,,,29576,bmse010195,1
27,covalent,SING,C21,O27,,,,,29576,bmse010195,1
28,covalent,SING,C22,O26,,,,,29576,bmse010195,1
29,covalent,SING,C1,H28,,,,,29576,bmse010195,1
30,covalent,SING,C1,H30,,,,,29576,bmse010195,1
31,covalent,SING,C1,H29,,,,,29576,bmse010195,1
32,covalent,SING,C2,H31,,,,,29576,bmse010195,1
33,covalent,SING,C2,H32,,,,,29576,bmse010195,1
34,covalent,SING,C2,H33,,,,,29576,bmse010195,1
35,covalent,SING,C3,H34,,,,,29576,bmse010195,1
36,covalent,SING,C3,H35,,,,,29576,bmse010195,1
37,covalent,SING,C3,H36,,,,,29576,bmse010195,1
38,covalent,SING,C4,H38,,,,,29576,bmse010195,1
39,covalent,SING,C4,H37,,,,,29576,bmse010195,1
40,covalent,SING,C4,H39,,,,,29576,bmse010195,1
41,covalent,SING,C5,H42,,,,,29576,bmse010195,1
42,covalent,SING,C5,H40,,,,,29576,bmse010195,1
43,covalent,SING,C5,H41,,,,,29576,bmse010195,1
44,covalent,SING,C6,H43,,,,,29576,bmse010195,1
45,covalent,SING,C6,H44,,,,,29576,bmse010195,1
46,covalent,SING,C7,H45,,,,,29576,bmse010195,1
47,covalent,SING,C7,H46,,,,,29576,bmse010195,1
48,covalent,SING,C8,H47,,,,,29576,bmse010195,1
49,covalent,SING,C8,H48,,,,,29576,bmse010195,1
50,covalent,SING,C9,H49,,,,,29576,bmse010195,1
51,covalent,SING,C9,H50,,,,,29576,bmse010195,1
52,covalent,SING,C10,H51,,,,,29576,bmse010195,1
53,covalent,SING,C11,H52,,,,,29576,bmse010195,1
54,covalent,SING,C12,H53,,,,,29576,bmse010195,1
55,covalent,SING,C13,H54,,,,,29576,bmse010195,1
56,covalent,SING,C14,H55,,,,,29576,bmse010195,1
1,covalent,SING,C1,C12,,,,,29596,bmse010196,1
2,covalent,SING,C2,C13,,,,,29596,bmse010196,1
3,covalent,SING,C3,C14,,,,,29596,bmse010196,1
4,covalent,SING,C4,C21,,,,,29596,bmse010196,1
5,covalent,SING,C5,C22,,,,,29596,bmse010196,1
6,covalent,SING,C6,C23,,,,,29596,bmse010196,1
7,covalent,SING,C7,C24,,,,,29596,bmse010196,1
8,covalent,SING,C8,C25,,,,,29596,bmse010196,1
9,covalent,SING,C9,O46,,,,,29596,bmse010196,1
10,covalent,SING,C10,O47,,,,,29596,bmse010196,1
11,covalent,SING,C11,O48,,,,,29596,bmse010196,1
12,covalent,SING,C12,C31,,,,,29596,bmse010196,1
13,covalent,SING,C13,C32,,,,,29596,bmse010196,1
14,covalent,SING,C14,C33,,,,,29596,bmse010196,1
15,covalent,DOUB,C15,C26,,,,,29596,bmse010196,1
16,covalent,SING,C15,C29,,,,,29596,bmse010196,1
17,covalent,DOUB,C16,C27,,,,,29596,bmse010196,1
18,covalent,SING,C16,C30,,,,,29596,bmse010196,1
19,covalent,SING,C17,C26,,,,,29596,bmse010196,1
20,covalent,DOUB,C17,C34,,,,,29596,bmse010196,1
21,covalent,SING,C18,C27,,,,,29596,bmse010196,1
22,covalent,DOUB,C18,C35,,,,,29596,bmse010196,1
23,covalent,DOUB,C19,C28,,,,,29596,bmse010196,1
24,covalent,SING,C19,C36,,,,,29596,bmse010196,1
25,covalent,SING,C20,C28,,,,,29596,bmse010196,1
26,covalent,DOUB,C20,C37,,,,,29596,bmse010196,1
27,covalent,DOUB,C21,O41,,,,,29596,bmse010196,1
28,covalent,SING,C21,O49,,,,,29596,bmse010196,1
29,covalent,DOUB,C22,O42,,,,,29596,bmse010196,1
30,covalent,SING,C22,O50,,,,,29596,bmse010196,1
31,covalent,DOUB,C23,O43,,,,,29596,bmse010196,1
32,covalent,SING,C23,O51,,,,,29596,bmse010196,1
33,covalent,DOUB,C24,O44,,,,,29596,bmse010196,1
34,covalent,SING,C24,O52,,,,,29596,bmse010196,1
35,covalent,DOUB,C25,O45,,,,,29596,bmse010196,1
36,covalent,SING,C25,O53,,,,,29596,bmse010196,1
37,covalent,SING,C26,C31,,,,,29596,bmse010196,1
38,covalent,SING,C27,C32,,,,,29596,bmse010196,1
39,covalent,SING,C28,C33,,,,,29596,bmse010196,1
40,covalent,SING,C29,C30,,,,,29596,bmse010196,1
41,covalent,DOUB,C29,C38,,,,,29596,bmse010196,1
42,covalent,DOUB,C30,C39,,,,,29596,bmse010196,1
43,covalent,SING,C31,O49,,,,,29596,bmse010196,1
44,covalent,SING,C32,O50,,,,,29596,bmse010196,1
45,covalent,SING,C33,O51,,,,,29596,bmse010196,1
46,covalent,SING,C34,C38,,,,,29596,bmse010196,1
47,covalent,SING,C34,O46,,,,,29596,bmse010196,1
48,covalent,SING,C35,C39,,,,,29596,bmse010196,1
49,covalent,SING,C35,O47,,,,,29596,bmse010196,1
50,covalent,DOUB,C36,C40,,,,,29596,bmse010196,1
51,covalent,SING,C36,O48,,,,,29596,bmse010196,1
52,covalent,SING,C37,C40,,,,,29596,bmse010196,1
53,covalent,SING,C37,O54,,,,,29596,bmse010196,1
54,covalent,SING,C38,O52,,,,,29596,bmse010196,1
55,covalent,SING,C39,O54,,,,,29596,bmse010196,1
56,covalent,SING,C40,O53,,,,,29596,bmse010196,1
57,covalent,SING,C1,H55,,,,,29596,bmse010196,1
58,covalent,SING,C1,H56,,,,,29596,bmse010196,1
59,covalent,SING,C1,H57,,,,,29596,bmse010196,1
60,covalent,SING,C2,H58,,,,,29596,bmse010196,1
61,covalent,SING,C2,H60,,,,,29596,bmse010196,1
62,covalent,SING,C2,H59,,,,,29596,bmse010196,1
63,covalent,SING,C3,H61,,,,,29596,bmse010196,1
64,covalent,SING,C3,H62,,,,,29596,bmse010196,1
65,covalent,SING,C3,H63,,,,,29596,bmse010196,1
66,covalent,SING,C4,H65,,,,,29596,bmse010196,1
67,covalent,SING,C4,H64,,,,,29596,bmse010196,1
68,covalent,SING,C4,H66,,,,,29596,bmse010196,1
69,covalent,SING,C5,H69,,,,,29596,bmse010196,1
70,covalent,SING,C5,H68,,,,,29596,bmse010196,1
71,covalent,SING,C5,H67,,,,,29596,bmse010196,1
72,covalent,SING,C6,H71,,,,,29596,bmse010196,1
73,covalent,SING,C6,H70,,,,,29596,bmse010196,1
74,covalent,SING,C6,H72,,,,,29596,bmse010196,1
75,covalent,SING,C7,H75,,,,,29596,bmse010196,1
76,covalent,SING,C7,H74,,,,,29596,bmse010196,1
77,covalent,SING,C7,H73,,,,,29596,bmse010196,1
78,covalent,SING,C8,H77,,,,,29596,bmse010196,1
79,covalent,SING,C8,H76,,,,,29596,bmse010196,1
80,covalent,SING,C8,H78,,,,,29596,bmse010196,1
81,covalent,SING,C9,H79,,,,,29596,bmse010196,1
82,covalent,SING,C9,H80,,,,,29596,bmse010196,1
83,covalent,SING,C9,H81,,,,,29596,bmse010196,1
84,covalent,SING,C10,H83,,,,,29596,bmse010196,1
85,covalent,SING,C10,H84,,,,,29596,bmse010196,1
86,covalent,SING,C10,H82,,,,,29596,bmse010196,1
87,covalent,SING,C11,H86,,,,,29596,bmse010196,1
88,covalent,SING,C11,H87,,,,,29596,bmse010196,1
89,covalent,SING,C11,H85,,,,,29596,bmse010196,1
90,covalent,SING,C12,H88,,,,,29596,bmse010196,1
91,covalent,SING,C12,H89,,,,,29596,bmse010196,1
92,covalent,SING,C13,H90,,,,,29596,bmse010196,1
93,covalent,SING,C13,H91,,,,,29596,bmse010196,1
94,covalent,SING,C14,H92,,,,,29596,bmse010196,1
95,covalent,SING,C14,H93,,,,,29596,bmse010196,1
96,covalent,SING,C15,H94,,,,,29596,bmse010196,1
97,covalent,SING,C16,H95,,,,,29596,bmse010196,1
98,covalent,SING,C17,H96,,,,,29596,bmse010196,1
99,covalent,SING,C18,H97,,,,,29596,bmse010196,1
100,covalent,SING,C19,H98,,,,,29596,bmse010196,1
101,covalent,SING,C20,H99,,,,,29596,bmse010196,1
102,covalent,SING,C31,H100,,,,,29596,bmse010196,1
103,covalent,SING,C32,H101,,,,,29596,bmse010196,1
104,covalent,SING,C33,H102,,,,,29596,bmse010196,1
1,covalent,SING,C1,C4,,,,,29616,bmse010197,1
2,covalent,SING,C2,O14,,,,,29616,bmse010197,1
3,covalent,SING,C3,O15,,,,,29616,bmse010197,1
4,covalent,SING,C4,C8,,,,,29616,bmse010197,1
5,covalent,DOUB,C5,C7,,,,,29616,bmse010197,1
6,covalent,SING,C5,C9,,,,,29616,bmse010197,1
7,covalent,SING,C6,C7,,,,,29616,bmse010197,1
8,covalent,DOUB,C6,C10,,,,,29616,bmse010197,1
9,covalent,SING,C7,C8,,,,,29616,bmse010197,1
10,covalent,SING,C8,O12,,,,,29616,bmse010197,1
11,covalent,DOUB,C9,C11,,,,,29616,bmse010197,1
12,covalent,SING,C9,O14,,,,,29616,bmse010197,1
13,covalent,SING,C10,C11,,,,,29616,bmse010197,1
14,covalent,SING,C10,O15,,,,,29616,bmse010197,1
15,covalent,SING,C11,O13,,,,,29616,bmse010197,1
16,covalent,SING,C1,H17,,,,,29616,bmse010197,1
17,covalent,SING,C1,H16,,,,,29616,bmse010197,1
18,covalent,SING,C1,H18,,,,,29616,bmse010197,1
19,covalent,SING,C2,H19,,,,,29616,bmse010197,1
20,covalent,SING,C2,H21,,,,,29616,bmse010197,1
21,covalent,SING,C2,H20,,,,,29616,bmse010197,1
22,covalent,SING,C3,H22,,,,,29616,bmse010197,1
23,covalent,SING,C3,H24,,,,,29616,bmse010197,1
24,covalent,SING,C3,H23,,,,,29616,bmse010197,1
25,covalent,SING,C4,H25,,,,,29616,bmse010197,1
26,covalent,SING,C4,H26,,,,,29616,bmse010197,1
27,covalent,SING,C5,H27,,,,,29616,bmse010197,1
28,covalent,SING,C6,H28,,,,,29616,bmse010197,1
29,covalent,SING,C8,H29,,,,,29616,bmse010197,1
30,covalent,SING,O12,H30,,,,,29616,bmse010197,1
31,covalent,SING,O13,H31,,,,,29616,bmse010197,1
1,covalent,SING,C1,C7,,,,,29636,bmse010198,1
2,covalent,SING,C2,O14,,,,,29636,bmse010198,1
3,covalent,SING,C3,O15,,,,,29636,bmse010198,1
4,covalent,DOUB,C4,C5,,,,,29636,bmse010198,1
5,covalent,SING,C4,C8,,,,,29636,bmse010198,1
6,covalent,SING,C5,C9,,,,,29636,bmse010198,1
7,covalent,DOUB,C6,C8,,,,,29636,bmse010198,1
8,covalent,SING,C6,C10,,,,,29636,bmse010198,1
9,covalent,SING,C7,C11,,,,,29636,bmse010198,1
10,covalent,SING,C7,O12,,,,,29636,bmse010198,1
11,covalent,SING,C8,C11,,,,,29636,bmse010198,1
12,covalent,DOUB,C9,C10,,,,,29636,bmse010198,1
13,covalent,SING,C9,O14,,,,,29636,bmse010198,1
14,covalent,SING,C10,O15,,,,,29636,bmse010198,1
15,covalent,DOUB,C11,O13,,,,,29636,bmse010198,1
16,covalent,SING,C1,H16,,,,,29636,bmse010198,1
17,covalent,SING,C1,H17,,,,,29636,bmse010198,1
18,covalent,SING,C1,H18,,,,,29636,bmse010198,1
19,covalent,SING,C2,H19,,,,,29636,bmse010198,1
20,covalent,SING,C2,H21,,,,,29636,bmse010198,1
21,covalent,SING,C2,H20,,,,,29636,bmse010198,1
22,covalent,SING,C3,H22,,,,,29636,bmse010198,1
23,covalent,SING,C3,H23,,,,,29636,bmse010198,1
24,covalent,SING,C3,H24,,,,,29636,bmse010198,1
25,covalent,SING,C4,H25,,,,,29636,bmse010198,1
26,covalent,SING,C5,H26,,,,,29636,bmse010198,1
27,covalent,SING,C6,H27,,,,,29636,bmse010198,1
28,covalent,SING,C7,H28,,,,,29636,bmse010198,1
29,covalent,SING,O12,H29,,,,,29636,bmse010198,1
1,covalent,SING,C1,C5,,,,,29656,bmse010199,1
2,covalent,SING,C2,O14,,,,,29656,bmse010199,1
3,covalent,SING,C3,O15,,,,,29656,bmse010199,1
4,covalent,SING,C4,O16,,,,,29656,bmse010199,1
5,covalent,SING,C5,C9,,,,,29656,bmse010199,1
6,covalent,DOUB,C6,C8,,,,,29656,bmse010199,1
7,covalent,SING,C6,C10,,,,,29656,bmse010199,1
8,covalent,SING,C7,C8,,,,,29656,bmse010199,1
9,covalent,DOUB,C7,C11,,,,,29656,bmse010199,1
10,covalent,SING,C8,C9,,,,,29656,bmse010199,1
11,covalent,SING,C9,O13,,,,,29656,bmse010199,1
12,covalent,DOUB,C10,C12,,,,,29656,bmse010199,1
13,covalent,SING,C10,O14,,,,,29656,bmse010199,1
14,covalent,SING,C11,C12,,,,,29656,bmse010199,1
15,covalent,SING,C11,O15,,,,,29656,bmse010199,1
16,covalent,SING,C12,O16,,,,,29656,bmse010199,1
17,covalent,SING,C1,H17,,,,,29656,bmse010199,1
18,covalent,SING,C1,H18,,,,,29656,bmse010199,1
19,covalent,SING,C1,H19,,,,,29656,bmse010199,1
20,covalent,SING,C2,H20,,,,,29656,bmse010199,1
21,covalent,SING,C2,H21,,,,,29656,bmse010199,1
22,covalent,SING,C2,H22,,,,,29656,bmse010199,1
23,covalent,SING,C3,H23,,,,,29656,bmse010199,1
24,covalent,SING,C3,H24,,,,,29656,bmse010199,1
25,covalent,SING,C3,H25,,,,,29656,bmse010199,1
26,covalent,SING,C4,H26,,,,,29656,bmse010199,1
27,covalent,SING,C4,H27,,,,,29656,bmse010199,1
28,covalent,SING,C4,H28,,,,,29656,bmse010199,1
29,covalent,SING,C5,H29,,,,,29656,bmse010199,1
30,covalent,SING,C5,H30,,,,,29656,bmse010199,1
31,covalent,SING,C6,H31,,,,,29656,bmse010199,1
32,covalent,SING,C7,H32,,,,,29656,bmse010199,1
33,covalent,SING,C9,H33,,,,,29656,bmse010199,1
34,covalent,SING,O13,H34,,,,,29656,bmse010199,1
1,covalent,SING,C1,C6,,,,,29676,bmse010200,1
2,covalent,SING,C2,C9,,,,,29676,bmse010200,1
3,covalent,SING,C3,C10,,,,,29676,bmse010200,1
4,covalent,SING,C4,O18,,,,,29676,bmse010200,1
5,covalent,SING,C5,O19,,,,,29676,bmse010200,1
6,covalent,SING,C6,C12,,,,,29676,bmse010200,1
7,covalent,DOUB,C7,C11,,,,,29676,bmse010200,1
8,covalent,SING,C7,C13,,,,,29676,bmse010200,1
9,covalent,SING,C8,C11,,,,,29676,bmse010200,1
10,covalent,DOUB,C8,C14,,,,,29676,bmse010200,1
11,covalent,DOUB,C9,O16,,,,,29676,bmse010200,1
12,covalent,SING,C9,O20,,,,,29676,bmse010200,1
13,covalent,DOUB,C10,O17,,,,,29676,bmse010200,1
14,covalent,SING,C10,O21,,,,,29676,bmse010200,1
15,covalent,SING,C11,C12,,,,,29676,bmse010200,1
16,covalent,SING,C12,O20,,,,,29676,bmse010200,1
17,covalent,DOUB,C13,C15,,,,,29676,bmse010200,1
18,covalent,SING,C13,O18,,,,,29676,bmse010200,1
19,covalent,SING,C14,C15,,,,,29676,bmse010200,1
20,covalent,SING,C14,O19,,,,,29676,bmse010200,1
21,covalent,SING,C15,O21,,,,,29676,bmse010200,1
22,covalent,SING,C1,H23,,,,,29676,bmse010200,1
23,covalent,SING,C1,H22,,,,,29676,bmse010200,1
24,covalent,SING,C1,H24,,,,,29676,bmse010200,1
25,covalent,SING,C2,H26,,,,,29676,bmse010200,1
26,covalent,SING,C2,H25,,,,,29676,bmse010200,1
27,covalent,SING,C2,H27,,,,,29676,bmse010200,1
28,covalent,SING,C3,H29,,,,,29676,bmse010200,1
29,covalent,SING,C3,H28,,,,,29676,bmse010200,1
30,covalent,SING,C3,H30,,,,,29676,bmse010200,1
31,covalent,SING,C4,H33,,,,,29676,bmse010200,1
32,covalent,SING,C4,H32,,,,,29676,bmse010200,1
33,covalent,SING,C4,H31,,,,,29676,bmse010200,1
34,covalent,SING,C5,H34,,,,,29676,bmse010200,1
35,covalent,SING,C5,H36,,,,,29676,bmse010200,1
36,covalent,SING,C5,H35,,,,,29676,bmse010200,1
37,covalent,SING,C6,H37,,,,,29676,bmse010200,1
38,covalent,SING,C6,H38,,,,,29676,bmse010200,1
39,covalent,SING,C7,H39,,,,,29676,bmse010200,1
40,covalent,SING,C8,H40,,,,,29676,bmse010200,1
41,covalent,SING,C12,H41,,,,,29676,bmse010200,1
1,covalent,SING,C1,C8,,,,,29696,bmse010201,1
2,covalent,SING,C2,C9,,,,,29696,bmse010201,1
3,covalent,SING,C3,O16,,,,,29696,bmse010201,1
4,covalent,SING,C4,O17,,,,,29696,bmse010201,1
5,covalent,DOUB,C5,C6,,,,,29696,bmse010201,1
6,covalent,SING,C5,C10,,,,,29696,bmse010201,1
7,covalent,SING,C6,C11,,,,,29696,bmse010201,1
8,covalent,DOUB,C7,C10,,,,,29696,bmse010201,1
9,covalent,SING,C7,C12,,,,,29696,bmse010201,1
10,covalent,SING,C8,C13,,,,,29696,bmse010201,1
11,covalent,SING,C8,O18,,,,,29696,bmse010201,1
12,covalent,DOUB,C9,O14,,,,,29696,bmse010201,1
13,covalent,SING,C9,O18,,,,,29696,bmse010201,1
14,covalent,SING,C10,C13,,,,,29696,bmse010201,1
15,covalent,DOUB,C11,C12,,,,,29696,bmse010201,1
16,covalent,SING,C11,O16,,,,,29696,bmse010201,1
17,covalent,SING,C12,O17,,,,,29696,bmse010201,1
18,covalent,DOUB,C13,O15,,,,,29696,bmse010201,1
19,covalent,SING,C1,H20,,,,,29696,bmse010201,1
20,covalent,SING,C1,H21,,,,,29696,bmse010201,1
21,covalent,SING,C1,H19,,,,,29696,bmse010201,1
22,covalent,SING,C2,H23,,,,,29696,bmse010201,1
23,covalent,SING,C2,H22,,,,,29696,bmse010201,1
24,covalent,SING,C2,H24,,,,,29696,bmse010201,1
25,covalent,SING,C3,H25,,,,,29696,bmse010201,1
26,covalent,SING,C3,H27,,,,,29696,bmse010201,1
27,covalent,SING,C3,H26,,,,,29696,bmse010201,1
28,covalent,SING,C4,H29,,,,,29696,bmse010201,1
29,covalent,SING,C4,H30,,,,,29696,bmse010201,1
30,covalent,SING,C4,H28,,,,,29696,bmse010201,1
31,covalent,SING,C5,H31,,,,,29696,bmse010201,1
32,covalent,SING,C6,H32,,,,,29696,bmse010201,1
33,covalent,SING,C7,H33,,,,,29696,bmse010201,1
34,covalent,SING,C8,H34,,,,,29696,bmse010201,1
1,covalent,SING,C1,C6,,,,,29716,bmse010202,1
2,covalent,SING,C2,C9,,,,,29716,bmse010202,1
3,covalent,SING,C3,O16,,,,,29716,bmse010202,1
4,covalent,SING,C4,O17,,,,,29716,bmse010202,1
5,covalent,SING,C5,O18,,,,,29716,bmse010202,1
6,covalent,SING,C6,C11,,,,,29716,bmse010202,1
7,covalent,DOUB,C7,C10,,,,,29716,bmse010202,1
8,covalent,SING,C7,C12,,,,,29716,bmse010202,1
9,covalent,SING,C8,C10,,,,,29716,bmse010202,1
10,covalent,DOUB,C8,C13,,,,,29716,bmse010202,1
11,covalent,DOUB,C9,O15,,,,,29716,bmse010202,1
12,covalent,SING,C9,O19,,,,,29716,bmse010202,1
13,covalent,SING,C10,C11,,,,,29716,bmse010202,1
14,covalent,SING,C11,O19,,,,,29716,bmse010202,1
15,covalent,DOUB,C12,C14,,,,,29716,bmse010202,1
16,covalent,SING,C12,O16,,,,,29716,bmse010202,1
17,covalent,SING,C13,C14,,,,,29716,bmse010202,1
18,covalent,SING,C13,O17,,,,,29716,bmse010202,1
19,covalent,SING,C14,O18,,,,,29716,bmse010202,1
20,covalent,SING,C1,H21,,,,,29716,bmse010202,1
21,covalent,SING,C1,H22,,,,,29716,bmse010202,1
22,covalent,SING,C1,H20,,,,,29716,bmse010202,1
23,covalent,SING,C2,H23,,,,,29716,bmse010202,1
24,covalent,SING,C2,H24,,,,,29716,bmse010202,1
25,covalent,SING,C2,H25,,,,,29716,bmse010202,1
26,covalent,SING,C3,H26,,,,,29716,bmse010202,1
27,covalent,SING,C3,H28,,,,,29716,bmse010202,1
28,covalent,SING,C3,H27,,,,,29716,bmse010202,1
29,covalent,SING,C4,H29,,,,,29716,bmse010202,1
30,covalent,SING,C4,H31,,,,,29716,bmse010202,1
31,covalent,SING,C4,H30,,,,,29716,bmse010202,1
32,covalent,SING,C5,H32,,,,,29716,bmse010202,1
33,covalent,SING,C5,H34,,,,,29716,bmse010202,1
34,covalent,SING,C5,H33,,,,,29716,bmse010202,1
35,covalent,SING,C6,H35,,,,,29716,bmse010202,1
36,covalent,SING,C6,H36,,,,,29716,bmse010202,1
37,covalent,SING,C7,H37,,,,,29716,bmse010202,1
38,covalent,SING,C8,H38,,,,,29716,bmse010202,1
39,covalent,SING,C11,H39,,,,,29716,bmse010202,1
1,covalent,SING,C1,O10,,,,,29736,bmse010203,1
2,covalent,SING,C2,O11,,,,,29736,bmse010203,1
3,covalent,DOUB,C3,C4,,,,,29736,bmse010203,1
4,covalent,SING,C3,C5,,,,,29736,bmse010203,1
5,covalent,SING,C4,C6,,,,,29736,bmse010203,1
6,covalent,DOUB,C5,C7,,,,,29736,bmse010203,1
7,covalent,DOUB,C6,C8,,,,,29736,bmse010203,1
8,covalent,SING,C6,O10,,,,,29736,bmse010203,1
9,covalent,SING,C7,C8,,,,,29736,bmse010203,1
10,covalent,SING,C7,O11,,,,,29736,bmse010203,1
11,covalent,SING,C8,O9,,,,,29736,bmse010203,1
12,covalent,SING,C1,H12,,,,,29736,bmse010203,1
13,covalent,SING,C1,H14,,,,,29736,bmse010203,1
14,covalent,SING,C1,H13,,,,,29736,bmse010203,1
15,covalent,SING,C2,H15,,,,,29736,bmse010203,1
16,covalent,SING,C2,H17,,,,,29736,bmse010203,1
17,covalent,SING,C2,H16,,,,,29736,bmse010203,1
18,covalent,SING,C3,H18,,,,,29736,bmse010203,1
19,covalent,SING,C4,H19,,,,,29736,bmse010203,1
20,covalent,SING,C5,H20,,,,,29736,bmse010203,1
21,covalent,SING,O9,H21,,,,,29736,bmse010203,1
1,covalent,SING,C1,O12,,,,,29756,bmse010204,1
2,covalent,SING,C2,O13,,,,,29756,bmse010204,1
3,covalent,DOUB,C3,C6,,,,,29756,bmse010204,1
4,covalent,SING,C3,C7,,,,,29756,bmse010204,1
5,covalent,SING,C4,C6,,,,,29756,bmse010204,1
6,covalent,DOUB,C4,C8,,,,,29756,bmse010204,1
7,covalent,SING,C5,C6,,,,,29756,bmse010204,1
8,covalent,DOUB,C5,O10,,,,,29756,bmse010204,1
9,covalent,DOUB,C7,C9,,,,,29756,bmse010204,1
10,covalent,SING,C7,O12,,,,,29756,bmse010204,1
11,covalent,SING,C8,C9,,,,,29756,bmse010204,1
12,covalent,SING,C8,O13,,,,,29756,bmse010204,1
13,covalent,SING,C9,O11,,,,,29756,bmse010204,1
14,covalent,SING,C1,H14,,,,,29756,bmse010204,1
15,covalent,SING,C1,H16,,,,,29756,bmse010204,1
16,covalent,SING,C1,H15,,,,,29756,bmse010204,1
17,covalent,SING,C2,H17,,,,,29756,bmse010204,1
18,covalent,SING,C2,H19,,,,,29756,bmse010204,1
19,covalent,SING,C2,H18,,,,,29756,bmse010204,1
20,covalent,SING,C3,H20,,,,,29756,bmse010204,1
21,covalent,SING,C4,H21,,,,,29756,bmse010204,1
22,covalent,SING,C5,H22,,,,,29756,bmse010204,1
23,covalent,SING,O11,H23,,,,,29756,bmse010204,1
1,covalent,SING,C1,O12,,,,,29776,bmse010205,1
2,covalent,DOUB,C2,C3,,,,,29776,bmse010205,1
3,covalent,SING,C2,C5,,,,,29776,bmse010205,1
4,covalent,SING,C3,C6,,,,,29776,bmse010205,1
5,covalent,DOUB,C4,C5,,,,,29776,bmse010205,1
6,covalent,SING,C4,C7,,,,,29776,bmse010205,1
7,covalent,SING,C5,C8,,,,,29776,bmse010205,1
8,covalent,DOUB,C6,C7,,,,,29776,bmse010205,1
9,covalent,SING,C6,O9,,,,,29776,bmse010205,1
10,covalent,SING,C7,O12,,,,,29776,bmse010205,1
11,covalent,SING,C8,O10,,,,,29776,bmse010205,1
12,covalent,DOUB,C8,O11,,,,,29776,bmse010205,1
13,covalent,SING,C1,H13,,,,,29776,bmse010205,1
14,covalent,SING,C1,H14,,,,,29776,bmse010205,1
15,covalent,SING,C1,H15,,,,,29776,bmse010205,1
16,covalent,SING,C2,H16,,,,,29776,bmse010205,1
17,covalent,SING,C3,H17,,,,,29776,bmse010205,1
18,covalent,SING,C4,H18,,,,,29776,bmse010205,1
19,covalent,SING,O9,H19,,,,,29776,bmse010205,1
20,covalent,SING,O10,H20,,,,,29776,bmse010205,1
1,covalent,SING,C1,O13,,,,,29796,bmse010206,1
2,covalent,SING,C2,O14,,,,,29796,bmse010206,1
3,covalent,DOUB,C3,C5,,,,,29796,bmse010206,1
4,covalent,SING,C3,C6,,,,,29796,bmse010206,1
5,covalent,SING,C4,C5,,,,,29796,bmse010206,1
6,covalent,DOUB,C4,C7,,,,,29796,bmse010206,1
7,covalent,SING,C5,C9,,,,,29796,bmse010206,1
8,covalent,DOUB,C6,C8,,,,,29796,bmse010206,1
9,covalent,SING,C6,O13,,,,,29796,bmse010206,1
10,covalent,SING,C7,C8,,,,,29796,bmse010206,1
11,covalent,SING,C7,O14,,,,,29796,bmse010206,1
12,covalent,SING,C8,O10,,,,,29796,bmse010206,1
13,covalent,SING,C9,O11,,,,,29796,bmse010206,1
14,covalent,DOUB,C9,O12,,,,,29796,bmse010206,1
15,covalent,SING,C1,H15,,,,,29796,bmse010206,1
16,covalent,SING,C1,H17,,,,,29796,bmse010206,1
17,covalent,SING,C1,H16,,,,,29796,bmse010206,1
18,covalent,SING,C2,H18,,,,,29796,bmse010206,1
19,covalent,SING,C2,H20,,,,,29796,bmse010206,1
20,covalent,SING,C2,H19,,,,,29796,bmse010206,1
21,covalent,SING,C3,H21,,,,,29796,bmse010206,1
22,covalent,SING,C4,H22,,,,,29796,bmse010206,1
23,covalent,SING,O10,H23,,,,,29796,bmse010206,1
24,covalent,SING,O11,H24,,,,,29796,bmse010206,1
1,covalent,SING,C1,O12,,,,,29816,bmse010207,1
2,covalent,SING,C2,O13,,,,,29816,bmse010207,1
3,covalent,DOUB,C3,C4,,,,,29816,bmse010207,1
4,covalent,SING,C3,C6,,,,,29816,bmse010207,1
5,covalent,SING,C4,C7,,,,,29816,bmse010207,1
6,covalent,DOUB,C5,C6,,,,,29816,bmse010207,1
7,covalent,SING,C5,C8,,,,,29816,bmse010207,1
8,covalent,SING,C6,C9,,,,,29816,bmse010207,1
9,covalent,DOUB,C7,C8,,,,,29816,bmse010207,1
10,covalent,SING,C7,O12,,,,,29816,bmse010207,1
11,covalent,SING,C8,O13,,,,,29816,bmse010207,1
12,covalent,SING,C9,O10,,,,,29816,bmse010207,1
13,covalent,DOUB,C9,O11,,,,,29816,bmse010207,1
14,covalent,SING,C1,H14,,,,,29816,bmse010207,1
15,covalent,SING,C1,H16,,,,,29816,bmse010207,1
16,covalent,SING,C1,H15,,,,,29816,bmse010207,1
17,covalent,SING,C2,H17,,,,,29816,bmse010207,1
18,covalent,SING,C2,H18,,,,,29816,bmse010207,1
19,covalent,SING,C2,H19,,,,,29816,bmse010207,1
20,covalent,SING,C3,H20,,,,,29816,bmse010207,1
21,covalent,SING,C4,H21,,,,,29816,bmse010207,1
22,covalent,SING,C5,H22,,,,,29816,bmse010207,1
23,covalent,SING,O10,H23,,,,,29816,bmse010207,1
1,covalent,SING,C7,C2,,,,,29836,bmse010208,1
2,covalent,DOUB,C7,C1,,,,,29836,bmse010208,1
3,covalent,SING,C1,C4,,,,,29836,bmse010208,1
4,covalent,DOUB,C4,C8,,,,,29836,bmse010208,1
5,covalent,SING,C8,C5,,,,,29836,bmse010208,1
6,covalent,DOUB,C5,C2,,,,,29836,bmse010208,1
7,covalent,DOUB,C3,C6,,,,,29836,bmse010208,1
8,covalent,SING,C6,C9,,,,,29836,bmse010208,1
9,covalent,SING,C7,C3,,,,,29836,bmse010208,1
10,covalent,SING,C8,O10,,,,,29836,bmse010208,1
11,covalent,SING,C9,O11,,,,,29836,bmse010208,1
12,covalent,DOUB,C9,O12,,,,,29836,bmse010208,1
13,covalent,SING,C1,H13,,,,,29836,bmse010208,1
14,covalent,SING,C4,H16,,,,,29836,bmse010208,1
15,covalent,SING,C5,H17,,,,,29836,bmse010208,1
16,covalent,SING,C2,H14,,,,,29836,bmse010208,1
17,covalent,SING,C3,H15,,,,,29836,bmse010208,1
18,covalent,SING,C6,H18,,,,,29836,bmse010208,1
19,covalent,SING,O10,H19,,,,,29836,bmse010208,1
20,covalent,SING,O11,H20,,,,,29836,bmse010208,1
1,covalent,SING,C1,O15,,,,,29853,bmse010209,1
2,covalent,SING,C2,O16,,,,,29853,bmse010209,1
3,covalent,DOUB,C3,C4,,,,,29853,bmse010209,1
4,covalent,SING,C3,C7,,,,,29853,bmse010209,1
5,covalent,SING,C4,C10,,,,,29853,bmse010209,1
6,covalent,DOUB,C5,C7,,,,,29853,bmse010209,1
7,covalent,SING,C5,C8,,,,,29853,bmse010209,1
8,covalent,SING,C6,C7,,,,,29853,bmse010209,1
9,covalent,DOUB,C6,C9,,,,,29853,bmse010209,1
10,covalent,DOUB,C8,C11,,,,,29853,bmse010209,1
11,covalent,SING,C8,O15,,,,,29853,bmse010209,1
12,covalent,SING,C9,C11,,,,,29853,bmse010209,1
13,covalent,SING,C9,O16,,,,,29853,bmse010209,1
14,covalent,SING,C10,O12,,,,,29853,bmse010209,1
15,covalent,DOUB,C10,O13,,,,,29853,bmse010209,1
16,covalent,SING,C11,O14,,,,,29853,bmse010209,1
17,covalent,SING,C1,H17,,,,,29853,bmse010209,1
18,covalent,SING,C1,H18,,,,,29853,bmse010209,1
19,covalent,SING,C1,H19,,,,,29853,bmse010209,1
20,covalent,SING,C2,H20,,,,,29853,bmse010209,1
21,covalent,SING,C2,H21,,,,,29853,bmse010209,1
22,covalent,SING,C2,H22,,,,,29853,bmse010209,1
23,covalent,SING,C3,H23,,,,,29853,bmse010209,1
24,covalent,SING,C4,H24,,,,,29853,bmse010209,1
25,covalent,SING,C5,H25,,,,,29853,bmse010209,1
26,covalent,SING,C6,H26,,,,,29853,bmse010209,1
27,covalent,SING,O12,H27,,,,,29853,bmse010209,1
28,covalent,SING,O14,H28,,,,,29853,bmse010209,1
1,covalent,SING,C1,O14,,,,,29870,bmse010210,1
2,covalent,SING,C2,O15,,,,,29870,bmse010210,1
3,covalent,DOUB,C3,C5,,,,,29870,bmse010210,1
4,covalent,SING,C3,C8,,,,,29870,bmse010210,1
5,covalent,DOUB,C4,C6,,,,,29870,bmse010210,1
6,covalent,SING,C4,C8,,,,,29870,bmse010210,1
7,covalent,SING,C5,C9,,,,,29870,bmse010210,1
8,covalent,SING,C6,C11,,,,,29870,bmse010210,1
9,covalent,DOUB,C7,C8,,,,,29870,bmse010210,1
10,covalent,SING,C7,C10,,,,,29870,bmse010210,1
11,covalent,DOUB,C9,C10,,,,,29870,bmse010210,1
12,covalent,SING,C9,O14,,,,,29870,bmse010210,1
13,covalent,SING,C10,O15,,,,,29870,bmse010210,1
14,covalent,SING,C11,O12,,,,,29870,bmse010210,1
15,covalent,DOUB,C11,O13,,,,,29870,bmse010210,1
16,covalent,SING,C1,H16,,,,,29870,bmse010210,1
17,covalent,SING,C1,H18,,,,,29870,bmse010210,1
18,covalent,SING,C1,H17,,,,,29870,bmse010210,1
19,covalent,SING,C2,H20,,,,,29870,bmse010210,1
20,covalent,SING,C2,H21,,,,,29870,bmse010210,1
21,covalent,SING,C2,H19,,,,,29870,bmse010210,1
22,covalent,SING,C3,H22,,,,,29870,bmse010210,1
23,covalent,SING,C4,H23,,,,,29870,bmse010210,1
24,covalent,SING,C5,H24,,,,,29870,bmse010210,1
25,covalent,SING,C6,H25,,,,,29870,bmse010210,1
26,covalent,SING,C7,H26,,,,,29870,bmse010210,1
27,covalent,SING,O12,H27,,,,,29870,bmse010210,1
1,covalent,SING,C1,O14,,,,,29890,bmse010211,1
2,covalent,DOUB,C2,C4,,,,,29890,bmse010211,1
3,covalent,SING,C2,C7,,,,,29890,bmse010211,1
4,covalent,DOUB,C3,C5,,,,,29890,bmse010211,1
5,covalent,SING,C3,C7,,,,,29890,bmse010211,1
6,covalent,SING,C4,C8,,,,,29890,bmse010211,1
7,covalent,SING,C5,C10,,,,,29890,bmse010211,1
8,covalent,DOUB,C6,C7,,,,,29890,bmse010211,1
9,covalent,SING,C6,C9,,,,,29890,bmse010211,1
10,covalent,DOUB,C8,C9,,,,,29890,bmse010211,1
11,covalent,SING,C8,O11,,,,,29890,bmse010211,1
12,covalent,SING,C9,O14,,,,,29890,bmse010211,1
13,covalent,SING,C10,O12,,,,,29890,bmse010211,1
14,covalent,DOUB,C10,O13,,,,,29890,bmse010211,1
15,covalent,SING,C1,H15,,,,,29890,bmse010211,1
16,covalent,SING,C1,H16,,,,,29890,bmse010211,1
17,covalent,SING,C1,H17,,,,,29890,bmse010211,1
18,covalent,SING,C2,H18,,,,,29890,bmse010211,1
19,covalent,SING,C3,H19,,,,,29890,bmse010211,1
20,covalent,SING,C4,H20,,,,,29890,bmse010211,1
21,covalent,SING,C5,H21,,,,,29890,bmse010211,1
22,covalent,SING,C6,H22,,,,,29890,bmse010211,1
23,covalent,SING,O11,H23,,,,,29890,bmse010211,1
24,covalent,SING,O12,H24,,,,,29890,bmse010211,1
1,covalent,SING,C1,O13,,,,,29910,bmse010212,1
2,covalent,SING,C2,C5,,,,,29910,bmse010212,1
3,covalent,DOUB,C2,C8,,,,,29910,bmse010212,1
4,covalent,DOUB,C3,C6,,,,,29910,bmse010212,1
5,covalent,SING,C3,C8,,,,,29910,bmse010212,1
6,covalent,DOUB,C4,C7,,,,,29910,bmse010212,1
7,covalent,SING,C4,C8,,,,,29910,bmse010212,1
8,covalent,DOUB,C5,C9,,,,,29910,bmse010212,1
9,covalent,SING,C6,C9,,,,,29910,bmse010212,1
10,covalent,SING,C7,C10,,,,,29910,bmse010212,1
11,covalent,SING,C9,O13,,,,,29910,bmse010212,1
12,covalent,SING,C10,O11,,,,,29910,bmse010212,1
13,covalent,DOUB,C10,O12,,,,,29910,bmse010212,1
14,covalent,SING,C1,H16,,,,,29910,bmse010212,1
15,covalent,SING,C1,H15,,,,,29910,bmse010212,1
16,covalent,SING,C1,H14,,,,,29910,bmse010212,1
17,covalent,SING,C2,H17,,,,,29910,bmse010212,1
18,covalent,SING,C3,H18,,,,,29910,bmse010212,1
19,covalent,SING,C4,H19,,,,,29910,bmse010212,1
20,covalent,SING,C5,H20,,,,,29910,bmse010212,1
21,covalent,SING,C6,H21,,,,,29910,bmse010212,1
22,covalent,SING,C7,H22,,,,,29910,bmse010212,1
23,covalent,SING,O11,H23,,,,,29910,bmse010212,1
1,covalent,SING,C1,O20,,,,,29930,bmse010213,1
2,covalent,SING,C2,O21,,,,,29930,bmse010213,1
3,covalent,SING,C3,O22,,,,,29930,bmse010213,1
4,covalent,DOUB,C4,C5,,,,,29930,bmse010213,1
5,covalent,SING,C4,C6,,,,,29930,bmse010213,1
6,covalent,SING,C5,C7,,,,,29930,bmse010213,1
7,covalent,DOUB,C6,C13,,,,,29930,bmse010213,1
8,covalent,DOUB,C7,C14,,,,,29930,bmse010213,1
9,covalent,DOUB,C8,C11,,,,,29930,bmse010213,1
10,covalent,SING,C8,C15,,,,,29930,bmse010213,1
11,covalent,SING,C9,C11,,,,,29930,bmse010213,1
12,covalent,DOUB,C9,C16,,,,,29930,bmse010213,1
13,covalent,SING,C10,C12,,,,,29930,bmse010213,1
14,covalent,SING,C10,O23,,,,,29930,bmse010213,1
15,covalent,SING,C11,C12,,,,,29930,bmse010213,1
16,covalent,SING,C12,O18,,,,,29930,bmse010213,1
17,covalent,SING,C13,C14,,,,,29930,bmse010213,1
18,covalent,SING,C13,O20,,,,,29930,bmse010213,1
19,covalent,SING,C14,O23,,,,,29930,bmse010213,1
20,covalent,DOUB,C15,C17,,,,,29930,bmse010213,1
21,covalent,SING,C15,O21,,,,,29930,bmse010213,1
22,covalent,SING,C16,C17,,,,,29930,bmse010213,1
23,covalent,SING,C16,O22,,,,,29930,bmse010213,1
24,covalent,SING,C17,O19,,,,,29930,bmse010213,1
25,covalent,SING,C1,H25,,,,,29930,bmse010213,1
26,covalent,SING,C1,H24,,,,,29930,bmse010213,1
27,covalent,SING,C1,H26,,,,,29930,bmse010213,1
28,covalent,SING,C2,H27,,,,,29930,bmse010213,1
29,covalent,SING,C2,H28,,,,,29930,bmse010213,1
30,covalent,SING,C2,H29,,,,,29930,bmse010213,1
31,covalent,SING,C3,H32,,,,,29930,bmse010213,1
32,covalent,SING,C3,H31,,,,,29930,bmse010213,1
33,covalent,SING,C3,H30,,,,,29930,bmse010213,1
34,covalent,SING,C4,H33,,,,,29930,bmse010213,1
35,covalent,SING,C5,H34,,,,,29930,bmse010213,1
36,covalent,SING,C6,H35,,,,,29930,bmse010213,1
37,covalent,SING,C7,H36,,,,,29930,bmse010213,1
38,covalent,SING,C8,H37,,,,,29930,bmse010213,1
39,covalent,SING,C9,H38,,,,,29930,bmse010213,1
40,covalent,SING,C10,H39,,,,,29930,bmse010213,1
41,covalent,SING,C10,H40,,,,,29930,bmse010213,1
42,covalent,SING,C12,H41,,,,,29930,bmse010213,1
43,covalent,SING,O18,H42,,,,,29930,bmse010213,1
44,covalent,SING,O19,H43,,,,,29930,bmse010213,1
1,covalent,SING,C1,C12,,,,,29950,bmse010214,1
2,covalent,SING,C2,O22,,,,,29950,bmse010214,1
3,covalent,SING,C3,O23,,,,,29950,bmse010214,1
4,covalent,SING,C4,O24,,,,,29950,bmse010214,1
5,covalent,SING,C5,C7,,,,,29950,bmse010214,1
6,covalent,DOUB,C5,C13,,,,,29950,bmse010214,1
7,covalent,DOUB,C6,C8,,,,,29950,bmse010214,1
8,covalent,SING,C6,C13,,,,,29950,bmse010214,1
9,covalent,DOUB,C7,C15,,,,,29950,bmse010214,1
10,covalent,SING,C8,C15,,,,,29950,bmse010214,1
11,covalent,DOUB,C9,C14,,,,,29950,bmse010214,1
12,covalent,SING,C9,C17,,,,,29950,bmse010214,1
13,covalent,SING,C10,C14,,,,,29950,bmse010214,1
14,covalent,DOUB,C10,C18,,,,,29950,bmse010214,1
15,covalent,SING,C11,C16,,,,,29950,bmse010214,1
16,covalent,SING,C11,O25,,,,,29950,bmse010214,1
17,covalent,SING,C12,C13,,,,,29950,bmse010214,1
18,covalent,DOUB,C12,O20,,,,,29950,bmse010214,1
19,covalent,SING,C14,C16,,,,,29950,bmse010214,1
20,covalent,SING,C15,O25,,,,,29950,bmse010214,1
21,covalent,DOUB,C16,O21,,,,,29950,bmse010214,1
22,covalent,DOUB,C17,C19,,,,,29950,bmse010214,1
23,covalent,SING,C17,O22,,,,,29950,bmse010214,1
24,covalent,SING,C18,C19,,,,,29950,bmse010214,1
25,covalent,SING,C18,O23,,,,,29950,bmse010214,1
26,covalent,SING,C19,O24,,,,,29950,bmse010214,1
27,covalent,SING,C1,H28,,,,,29950,bmse010214,1
28,covalent,SING,C1,H27,,,,,29950,bmse010214,1
29,covalent,SING,C1,H26,,,,,29950,bmse010214,1
30,covalent,SING,C2,H31,,,,,29950,bmse010214,1
31,covalent,SING,C2,H29,,,,,29950,bmse010214,1
32,covalent,SING,C2,H30,,,,,29950,bmse010214,1
33,covalent,SING,C3,H32,,,,,29950,bmse010214,1
34,covalent,SING,C3,H33,,,,,29950,bmse010214,1
35,covalent,SING,C3,H34,,,,,29950,bmse010214,1
36,covalent,SING,C4,H35,,,,,29950,bmse010214,1
37,covalent,SING,C4,H37,,,,,29950,bmse010214,1
38,covalent,SING,C4,H36,,,,,29950,bmse010214,1
39,covalent,SING,C5,H38,,,,,29950,bmse010214,1
40,covalent,SING,C6,H39,,,,,29950,bmse010214,1
41,covalent,SING,C7,H40,,,,,29950,bmse010214,1
42,covalent,SING,C8,H41,,,,,29950,bmse010214,1
43,covalent,SING,C9,H42,,,,,29950,bmse010214,1
44,covalent,SING,C10,H43,,,,,29950,bmse010214,1
45,covalent,SING,C11,H44,,,,,29950,bmse010214,1
46,covalent,SING,C11,H45,,,,,29950,bmse010214,1
1,covalent,SING,C1,C12,,,,,29970,bmse010215,1
2,covalent,SING,C2,O23,,,,,29970,bmse010215,1
3,covalent,SING,C3,O24,,,,,29970,bmse010215,1
4,covalent,SING,C4,O25,,,,,29970,bmse010215,1
5,covalent,SING,C5,O26,,,,,29970,bmse010215,1
6,covalent,DOUB,C6,C7,,,,,29970,bmse010215,1
7,covalent,SING,C6,C13,,,,,29970,bmse010215,1
8,covalent,SING,C7,C16,,,,,29970,bmse010215,1
9,covalent,DOUB,C8,C13,,,,,29970,bmse010215,1
10,covalent,SING,C8,C17,,,,,29970,bmse010215,1
11,covalent,DOUB,C9,C14,,,,,29970,bmse010215,1
12,covalent,SING,C9,C18,,,,,29970,bmse010215,1
13,covalent,SING,C10,C14,,,,,29970,bmse010215,1
14,covalent,DOUB,C10,C19,,,,,29970,bmse010215,1
15,covalent,SING,C11,C15,,,,,29970,bmse010215,1
16,covalent,SING,C11,O27,,,,,29970,bmse010215,1
17,covalent,SING,C12,C13,,,,,29970,bmse010215,1
18,covalent,DOUB,C12,O21,,,,,29970,bmse010215,1
19,covalent,SING,C14,C15,,,,,29970,bmse010215,1
20,covalent,DOUB,C15,O22,,,,,29970,bmse010215,1
21,covalent,DOUB,C16,C17,,,,,29970,bmse010215,1
22,covalent,SING,C16,O27,,,,,29970,bmse010215,1
23,covalent,SING,C17,O23,,,,,29970,bmse010215,1
24,covalent,DOUB,C18,C20,,,,,29970,bmse010215,1
25,covalent,SING,C18,O24,,,,,29970,bmse010215,1
26,covalent,SING,C19,C20,,,,,29970,bmse010215,1
27,covalent,SING,C19,O25,,,,,29970,bmse010215,1
28,covalent,SING,C20,O26,,,,,29970,bmse010215,1
29,covalent,SING,C1,H28,,,,,29970,bmse010215,1
30,covalent,SING,C1,H29,,,,,29970,bmse010215,1
31,covalent,SING,C1,H30,,,,,29970,bmse010215,1
32,covalent,SING,C2,H32,,,,,29970,bmse010215,1
33,covalent,SING,C2,H31,,,,,29970,bmse010215,1
34,covalent,SING,C2,H33,,,,,29970,bmse010215,1
35,covalent,SING,C3,H34,,,,,29970,bmse010215,1
36,covalent,SING,C3,H36,,,,,29970,bmse010215,1
37,covalent,SING,C3,H35,,,,,29970,bmse010215,1
38,covalent,SING,C4,H39,,,,,29970,bmse010215,1
39,covalent,SING,C4,H38,,,,,29970,bmse010215,1
40,covalent,SING,C4,H37,,,,,29970,bmse010215,1
41,covalent,SING,C5,H42,,,,,29970,bmse010215,1
42,covalent,SING,C5,H40,,,,,29970,bmse010215,1
43,covalent,SING,C5,H41,,,,,29970,bmse010215,1
44,covalent,SING,C6,H43,,,,,29970,bmse010215,1
45,covalent,SING,C7,H44,,,,,29970,bmse010215,1
46,covalent,SING,C8,H45,,,,,29970,bmse010215,1
47,covalent,SING,C9,H46,,,,,29970,bmse010215,1
48,covalent,SING,C10,H47,,,,,29970,bmse010215,1
49,covalent,SING,C11,H48,,,,,29970,bmse010215,1
50,covalent,SING,C11,H49,,,,,29970,bmse010215,1
1,covalent,SING,C1,C12,,,,,29990,bmse010216,1
2,covalent,SING,C2,O24,,,,,29990,bmse010216,1
3,covalent,SING,C3,O25,,,,,29990,bmse010216,1
4,covalent,SING,C4,O26,,,,,29990,bmse010216,1
5,covalent,SING,C5,O27,,,,,29990,bmse010216,1
6,covalent,SING,C6,O28,,,,,29990,bmse010216,1
7,covalent,DOUB,C7,C13,,,,,29990,bmse010216,1
8,covalent,SING,C7,C18,,,,,29990,bmse010216,1
9,covalent,SING,C8,C13,,,,,29990,bmse010216,1
10,covalent,DOUB,C8,C19,,,,,29990,bmse010216,1
11,covalent,DOUB,C9,C14,,,,,29990,bmse010216,1
12,covalent,SING,C9,C16,,,,,29990,bmse010216,1
13,covalent,SING,C10,C14,,,,,29990,bmse010216,1
14,covalent,DOUB,C10,C17,,,,,29990,bmse010216,1
15,covalent,SING,C11,C15,,,,,29990,bmse010216,1
16,covalent,SING,C11,O29,,,,,29990,bmse010216,1
17,covalent,SING,C12,C13,,,,,29990,bmse010216,1
18,covalent,DOUB,C12,O22,,,,,29990,bmse010216,1
19,covalent,SING,C14,C15,,,,,29990,bmse010216,1
20,covalent,DOUB,C15,O23,,,,,29990,bmse010216,1
21,covalent,DOUB,C16,C20,,,,,29990,bmse010216,1
22,covalent,SING,C16,O24,,,,,29990,bmse010216,1
23,covalent,SING,C17,C20,,,,,29990,bmse010216,1
24,covalent,SING,C17,O25,,,,,29990,bmse010216,1
25,covalent,DOUB,C18,C21,,,,,29990,bmse010216,1
26,covalent,SING,C18,O26,,,,,29990,bmse010216,1
27,covalent,SING,C19,C21,,,,,29990,bmse010216,1
28,covalent,SING,C19,O27,,,,,29990,bmse010216,1
29,covalent,SING,C20,O28,,,,,29990,bmse010216,1
30,covalent,SING,C21,O29,,,,,29990,bmse010216,1
31,covalent,SING,C1,H32,,,,,29990,bmse010216,1
32,covalent,SING,C1,H31,,,,,29990,bmse010216,1
33,covalent,SING,C1,H30,,,,,29990,bmse010216,1
34,covalent,SING,C2,H33,,,,,29990,bmse010216,1
35,covalent,SING,C2,H34,,,,,29990,bmse010216,1
36,covalent,SING,C2,H35,,,,,29990,bmse010216,1
37,covalent,SING,C3,H36,,,,,29990,bmse010216,1
38,covalent,SING,C3,H37,,,,,29990,bmse010216,1
39,covalent,SING,C3,H38,,,,,29990,bmse010216,1
40,covalent,SING,C4,H39,,,,,29990,bmse010216,1
41,covalent,SING,C4,H41,,,,,29990,bmse010216,1
42,covalent,SING,C4,H40,,,,,29990,bmse010216,1
43,covalent,SING,C5,H43,,,,,29990,bmse010216,1
44,covalent,SING,C5,H42,,,,,29990,bmse010216,1
45,covalent,SING,C5,H44,,,,,29990,bmse010216,1
46,covalent,SING,C6,H45,,,,,29990,bmse010216,1
47,covalent,SING,C6,H47,,,,,29990,bmse010216,1
48,covalent,SING,C6,H46,,,,,29990,bmse010216,1
49,covalent,SING,C7,H48,,,,,29990,bmse010216,1
50,covalent,SING,C8,H49,,,,,29990,bmse010216,1
51,covalent,SING,C9,H50,,,,,29990,bmse010216,1
52,covalent,SING,C10,H51,,,,,29990,bmse010216,1
53,covalent,SING,C11,H52,,,,,29990,bmse010216,1
54,covalent,SING,C11,H53,,,,,29990,bmse010216,1
1,covalent,SING,C1,O8,,,,,30010,bmse010217,1
2,covalent,DOUB,C2,C3,,,,,30010,bmse010217,1
3,covalent,SING,C2,C4,,,,,30010,bmse010217,1
4,covalent,SING,C3,C5,,,,,30010,bmse010217,1
5,covalent,DOUB,C4,C6,,,,,30010,bmse010217,1
6,covalent,DOUB,C5,C7,,,,,30010,bmse010217,1
7,covalent,SING,C6,C7,,,,,30010,bmse010217,1
8,covalent,SING,C7,O8,,,,,30010,bmse010217,1
9,covalent,SING,C1,H9,,,,,30010,bmse010217,1
10,covalent,SING,C1,H10,,,,,30010,bmse010217,1
11,covalent,SING,C1,H11,,,,,30010,bmse010217,1
12,covalent,SING,C2,H12,,,,,30010,bmse010217,1
13,covalent,SING,C3,H13,,,,,30010,bmse010217,1
14,covalent,SING,C4,H14,,,,,30010,bmse010217,1
15,covalent,SING,C5,H15,,,,,30010,bmse010217,1
16,covalent,SING,C6,H16,,,,,30010,bmse010217,1
1,covalent,SING,C1,O10,,,,,30030,bmse010218,1
2,covalent,SING,C2,O11,,,,,30030,bmse010218,1
3,covalent,SING,C3,O12,,,,,30030,bmse010218,1
4,covalent,DOUB,C4,C5,,,,,30030,bmse010218,1
5,covalent,SING,C4,C6,,,,,30030,bmse010218,1
6,covalent,SING,C5,C7,,,,,30030,bmse010218,1
7,covalent,DOUB,C6,C8,,,,,30030,bmse010218,1
8,covalent,DOUB,C7,C9,,,,,30030,bmse010218,1
9,covalent,SING,C7,O10,,,,,30030,bmse010218,1
10,covalent,SING,C8,C9,,,,,30030,bmse010218,1
11,covalent,SING,C8,O11,,,,,30030,bmse010218,1
12,covalent,SING,C9,O12,,,,,30030,bmse010218,1
13,covalent,SING,C1,H13,,,,,30030,bmse010218,1
14,covalent,SING,C1,H15,,,,,30030,bmse010218,1
15,covalent,SING,C1,H14,,,,,30030,bmse010218,1
16,covalent,SING,C2,H16,,,,,30030,bmse010218,1
17,covalent,SING,C2,H18,,,,,30030,bmse010218,1
18,covalent,SING,C2,H17,,,,,30030,bmse010218,1
19,covalent,SING,C3,H19,,,,,30030,bmse010218,1
20,covalent,SING,C3,H20,,,,,30030,bmse010218,1
21,covalent,SING,C3,H21,,,,,30030,bmse010218,1
22,covalent,SING,C4,H22,,,,,30030,bmse010218,1
23,covalent,SING,C5,H23,,,,,30030,bmse010218,1
24,covalent,SING,C6,H24,,,,,30030,bmse010218,1
1,covalent,SING,C1,O9,,,,,30050,bmse010219,1
2,covalent,SING,C2,O10,,,,,30050,bmse010219,1
3,covalent,DOUB,C3,C4,,,,,30050,bmse010219,1
4,covalent,SING,C3,C5,,,,,30050,bmse010219,1
5,covalent,SING,C4,C6,,,,,30050,bmse010219,1
6,covalent,DOUB,C5,C7,,,,,30050,bmse010219,1
7,covalent,DOUB,C6,C8,,,,,30050,bmse010219,1
8,covalent,SING,C7,C8,,,,,30050,bmse010219,1
9,covalent,SING,C7,O9,,,,,30050,bmse010219,1
10,covalent,SING,C8,O10,,,,,30050,bmse010219,1
11,covalent,SING,C1,H11,,,,,30050,bmse010219,1
12,covalent,SING,C1,H13,,,,,30050,bmse010219,1
13,covalent,SING,C1,H12,,,,,30050,bmse010219,1
14,covalent,SING,C2,H14,,,,,30050,bmse010219,1
15,covalent,SING,C2,H16,,,,,30050,bmse010219,1
16,covalent,SING,C2,H15,,,,,30050,bmse010219,1
17,covalent,SING,C3,H17,,,,,30050,bmse010219,1
18,covalent,SING,C4,H18,,,,,30050,bmse010219,1
19,covalent,SING,C5,H19,,,,,30050,bmse010219,1
20,covalent,SING,C6,H20,,,,,30050,bmse010219,1
1,covalent,SING,C1,O11,,,,,30070,bmse010220,1
2,covalent,SING,C2,O12,,,,,30070,bmse010220,1
3,covalent,DOUB,C3,C4,,,,,30070,bmse010220,1
4,covalent,SING,C3,C7,,,,,30070,bmse010220,1
5,covalent,SING,C4,C8,,,,,30070,bmse010220,1
6,covalent,DOUB,C5,C7,,,,,30070,bmse010220,1
7,covalent,SING,C5,C9,,,,,30070,bmse010220,1
8,covalent,SING,C6,C7,,,,,30070,bmse010220,1
9,covalent,DOUB,C6,O10,,,,,30070,bmse010220,1
10,covalent,DOUB,C8,C9,,,,,30070,bmse010220,1
11,covalent,SING,C8,O11,,,,,30070,bmse010220,1
12,covalent,SING,C9,O12,,,,,30070,bmse010220,1
13,covalent,SING,C1,H13,,,,,30070,bmse010220,1
14,covalent,SING,C1,H14,,,,,30070,bmse010220,1
15,covalent,SING,C1,H15,,,,,30070,bmse010220,1
16,covalent,SING,C2,H16,,,,,30070,bmse010220,1
17,covalent,SING,C2,H17,,,,,30070,bmse010220,1
18,covalent,SING,C2,H18,,,,,30070,bmse010220,1
19,covalent,SING,C3,H19,,,,,30070,bmse010220,1
20,covalent,SING,C4,H20,,,,,30070,bmse010220,1
21,covalent,SING,C5,H21,,,,,30070,bmse010220,1
22,covalent,SING,C6,H22,,,,,30070,bmse010220,1
1,covalent,SING,C1,O15,,,,,30090,bmse010221,1
2,covalent,SING,C2,O16,,,,,30090,bmse010221,1
3,covalent,SING,C3,O17,,,,,30090,bmse010221,1
4,covalent,DOUB,C4,C5,,,,,30090,bmse010221,1
5,covalent,SING,C4,C8,,,,,30090,bmse010221,1
6,covalent,SING,C5,C11,,,,,30090,bmse010221,1
7,covalent,DOUB,C6,C8,,,,,30090,bmse010221,1
8,covalent,SING,C6,C9,,,,,30090,bmse010221,1
9,covalent,SING,C7,C8,,,,,30090,bmse010221,1
10,covalent,DOUB,C7,C10,,,,,30090,bmse010221,1
11,covalent,DOUB,C9,C12,,,,,30090,bmse010221,1
12,covalent,SING,C9,O15,,,,,30090,bmse010221,1
13,covalent,SING,C10,C12,,,,,30090,bmse010221,1
14,covalent,SING,C10,O16,,,,,30090,bmse010221,1
15,covalent,DOUB,C11,O13,,,,,30090,bmse010221,1
16,covalent,SING,C11,O17,,,,,30090,bmse010221,1
17,covalent,SING,C12,O14,,,,,30090,bmse010221,1
18,covalent,SING,C1,H20,,,,,30090,bmse010221,1
19,covalent,SING,C1,H19,,,,,30090,bmse010221,1
20,covalent,SING,C1,H18,,,,,30090,bmse010221,1
21,covalent,SING,C2,H21,,,,,30090,bmse010221,1
22,covalent,SING,C2,H23,,,,,30090,bmse010221,1
23,covalent,SING,C2,H22,,,,,30090,bmse010221,1
24,covalent,SING,C3,H24,,,,,30090,bmse010221,1
25,covalent,SING,C3,H26,,,,,30090,bmse010221,1
26,covalent,SING,C3,H25,,,,,30090,bmse010221,1
27,covalent,SING,C4,H27,,,,,30090,bmse010221,1
28,covalent,SING,C5,H28,,,,,30090,bmse010221,1
29,covalent,SING,C6,H29,,,,,30090,bmse010221,1
30,covalent,SING,C7,H30,,,,,30090,bmse010221,1
31,covalent,SING,O14,H31,,,,,30090,bmse010221,1
1,covalent,SING,C1,O13,,,,,30110,bmse010222,1
2,covalent,SING,C2,C5,,,,,30110,bmse010222,1
3,covalent,DOUB,C2,C8,,,,,30110,bmse010222,1
4,covalent,DOUB,C3,C6,,,,,30110,bmse010222,1
5,covalent,SING,C3,C8,,,,,30110,bmse010222,1
6,covalent,DOUB,C4,C7,,,,,30110,bmse010222,1
7,covalent,SING,C4,C8,,,,,30110,bmse010222,1
8,covalent,DOUB,C5,C9,,,,,30110,bmse010222,1
9,covalent,SING,C6,C9,,,,,30110,bmse010222,1
10,covalent,SING,C7,C10,,,,,30110,bmse010222,1
11,covalent,SING,C9,O11,,,,,30110,bmse010222,1
12,covalent,DOUB,C10,O12,,,,,30110,bmse010222,1
13,covalent,SING,C10,O13,,,,,30110,bmse010222,1
14,covalent,SING,C1,H14,,,,,30110,bmse010222,1
15,covalent,SING,C1,H15,,,,,30110,bmse010222,1
16,covalent,SING,C1,H16,,,,,30110,bmse010222,1
17,covalent,SING,C2,H17,,,,,30110,bmse010222,1
18,covalent,SING,C3,H18,,,,,30110,bmse010222,1
19,covalent,SING,C4,H19,,,,,30110,bmse010222,1
20,covalent,SING,C5,H20,,,,,30110,bmse010222,1
21,covalent,SING,C6,H21,,,,,30110,bmse010222,1
22,covalent,SING,C7,H22,,,,,30110,bmse010222,1
23,covalent,SING,O11,H23,,,,,30110,bmse010222,1
1,covalent,SING,C1,O15,,,,,30130,bmse010223,1
2,covalent,SING,C2,O16,,,,,30130,bmse010223,1
3,covalent,SING,C3,O17,,,,,30130,bmse010223,1
4,covalent,SING,C4,O18,,,,,30130,bmse010223,1
5,covalent,DOUB,C5,C6,,,,,30130,bmse010223,1
6,covalent,SING,C5,C9,,,,,30130,bmse010223,1
7,covalent,SING,C6,C12,,,,,30130,bmse010223,1
8,covalent,DOUB,C7,C9,,,,,30130,bmse010223,1
9,covalent,SING,C7,C10,,,,,30130,bmse010223,1
10,covalent,SING,C8,C9,,,,,30130,bmse010223,1
11,covalent,DOUB,C8,C11,,,,,30130,bmse010223,1
12,covalent,DOUB,C10,C13,,,,,30130,bmse010223,1
13,covalent,SING,C10,O15,,,,,30130,bmse010223,1
14,covalent,SING,C11,C13,,,,,30130,bmse010223,1
15,covalent,SING,C11,O16,,,,,30130,bmse010223,1
16,covalent,DOUB,C12,O14,,,,,30130,bmse010223,1
17,covalent,SING,C12,O17,,,,,30130,bmse010223,1
18,covalent,SING,C13,O18,,,,,30130,bmse010223,1
19,covalent,SING,C1,H19,,,,,30130,bmse010223,1
20,covalent,SING,C1,H21,,,,,30130,bmse010223,1
21,covalent,SING,C1,H20,,,,,30130,bmse010223,1
22,covalent,SING,C2,H22,,,,,30130,bmse010223,1
23,covalent,SING,C2,H24,,,,,30130,bmse010223,1
24,covalent,SING,C2,H23,,,,,30130,bmse010223,1
25,covalent,SING,C3,H25,,,,,30130,bmse010223,1
26,covalent,SING,C3,H27,,,,,30130,bmse010223,1
27,covalent,SING,C3,H26,,,,,30130,bmse010223,1
28,covalent,SING,C4,H28,,,,,30130,bmse010223,1
29,covalent,SING,C4,H29,,,,,30130,bmse010223,1
30,covalent,SING,C4,H30,,,,,30130,bmse010223,1
31,covalent,SING,C5,H31,,,,,30130,bmse010223,1
32,covalent,SING,C6,H32,,,,,30130,bmse010223,1
33,covalent,SING,C7,H33,,,,,30130,bmse010223,1
34,covalent,SING,C8,H34,,,,,30130,bmse010223,1
1,covalent,SING,C1,O15,,,,,30150,bmse010224,1
2,covalent,SING,C2,O16,,,,,30150,bmse010224,1
3,covalent,SING,C3,O17,,,,,30150,bmse010224,1
4,covalent,DOUB,C4,C5,,,,,30150,bmse010224,1
5,covalent,SING,C4,C8,,,,,30150,bmse010224,1
6,covalent,SING,C5,C11,,,,,30150,bmse010224,1
7,covalent,DOUB,C6,C8,,,,,30150,bmse010224,1
8,covalent,SING,C6,C9,,,,,30150,bmse010224,1
9,covalent,SING,C7,C8,,,,,30150,bmse010224,1
10,covalent,DOUB,C7,C10,,,,,30150,bmse010224,1
11,covalent,DOUB,C9,C12,,,,,30150,bmse010224,1
12,covalent,SING,C9,O15,,,,,30150,bmse010224,1
13,covalent,SING,C10,C12,,,,,30150,bmse010224,1
14,covalent,SING,C10,O16,,,,,30150,bmse010224,1
15,covalent,SING,C11,O13,,,,,30150,bmse010224,1
16,covalent,DOUB,C11,O14,,,,,30150,bmse010224,1
17,covalent,SING,C12,O17,,,,,30150,bmse010224,1
18,covalent,SING,C1,H18,,,,,30150,bmse010224,1
19,covalent,SING,C1,H20,,,,,30150,bmse010224,1
20,covalent,SING,C1,H19,,,,,30150,bmse010224,1
21,covalent,SING,C2,H21,,,,,30150,bmse010224,1
22,covalent,SING,C2,H23,,,,,30150,bmse010224,1
23,covalent,SING,C2,H22,,,,,30150,bmse010224,1
24,covalent,SING,C3,H24,,,,,30150,bmse010224,1
25,covalent,SING,C3,H25,,,,,30150,bmse010224,1
26,covalent,SING,C3,H26,,,,,30150,bmse010224,1
27,covalent,SING,C4,H27,,,,,30150,bmse010224,1
28,covalent,SING,C5,H28,,,,,30150,bmse010224,1
29,covalent,SING,C6,H29,,,,,30150,bmse010224,1
30,covalent,SING,C7,H30,,,,,30150,bmse010224,1
31,covalent,SING,O13,H31,,,,,30150,bmse010224,1
1,covalent,SING,C1,O13,,,,,30170,bmse010225,1
2,covalent,SING,C2,O14,,,,,30170,bmse010225,1
3,covalent,SING,C3,O15,,,,,30170,bmse010225,1
4,covalent,DOUB,C4,C6,,,,,30170,bmse010225,1
5,covalent,SING,C4,C7,,,,,30170,bmse010225,1
6,covalent,SING,C5,C6,,,,,30170,bmse010225,1
7,covalent,DOUB,C5,C8,,,,,30170,bmse010225,1
8,covalent,SING,C6,C10,,,,,30170,bmse010225,1
9,covalent,DOUB,C7,C9,,,,,30170,bmse010225,1
10,covalent,SING,C7,O13,,,,,30170,bmse010225,1
11,covalent,SING,C8,C9,,,,,30170,bmse010225,1
12,covalent,SING,C8,O14,,,,,30170,bmse010225,1
13,covalent,SING,C9,O11,,,,,30170,bmse010225,1
14,covalent,DOUB,C10,O12,,,,,30170,bmse010225,1
15,covalent,SING,C10,O15,,,,,30170,bmse010225,1
16,covalent,SING,C1,H16,,,,,30170,bmse010225,1
17,covalent,SING,C1,H18,,,,,30170,bmse010225,1
18,covalent,SING,C1,H17,,,,,30170,bmse010225,1
19,covalent,SING,C2,H19,,,,,30170,bmse010225,1
20,covalent,SING,C2,H21,,,,,30170,bmse010225,1
21,covalent,SING,C2,H20,,,,,30170,bmse010225,1
22,covalent,SING,C3,H22,,,,,30170,bmse010225,1
23,covalent,SING,C3,H23,,,,,30170,bmse010225,1
24,covalent,SING,C3,H24,,,,,30170,bmse010225,1
25,covalent,SING,C4,H25,,,,,30170,bmse010225,1
26,covalent,SING,C5,H26,,,,,30170,bmse010225,1
27,covalent,SING,O11,H27,,,,,30170,bmse010225,1
1,covalent,SING,C1,O12,,,,,30190,bmse010226,1
2,covalent,SING,C2,O13,,,,,30190,bmse010226,1
3,covalent,DOUB,C3,C4,,,,,30190,bmse010226,1
4,covalent,SING,C3,C6,,,,,30190,bmse010226,1
5,covalent,SING,C4,C7,,,,,30190,bmse010226,1
6,covalent,DOUB,C5,C6,,,,,30190,bmse010226,1
7,covalent,SING,C5,C8,,,,,30190,bmse010226,1
8,covalent,SING,C6,C9,,,,,30190,bmse010226,1
9,covalent,DOUB,C7,C8,,,,,30190,bmse010226,1
10,covalent,SING,C7,O10,,,,,30190,bmse010226,1
11,covalent,SING,C8,O12,,,,,30190,bmse010226,1
12,covalent,DOUB,C9,O11,,,,,30190,bmse010226,1
13,covalent,SING,C9,O13,,,,,30190,bmse010226,1
14,covalent,SING,C1,H14,,,,,30190,bmse010226,1
15,covalent,SING,C1,H15,,,,,30190,bmse010226,1
16,covalent,SING,C1,H16,,,,,30190,bmse010226,1
17,covalent,SING,C2,H19,,,,,30190,bmse010226,1
18,covalent,SING,C2,H17,,,,,30190,bmse010226,1
19,covalent,SING,C2,H18,,,,,30190,bmse010226,1
20,covalent,SING,C3,H20,,,,,30190,bmse010226,1
21,covalent,SING,C4,H21,,,,,30190,bmse010226,1
22,covalent,SING,C5,H22,,,,,30190,bmse010226,1
23,covalent,SING,O10,H23,,,,,30190,bmse010226,1
1,covalent,SING,C1,C5,,,,,30210,bmse010227,1
2,covalent,SING,C2,C12,,,,,30210,bmse010227,1
3,covalent,SING,C3,O22,,,,,30210,bmse010227,1
4,covalent,SING,C4,O23,,,,,30210,bmse010227,1
5,covalent,SING,C5,C6,,,,,30210,bmse010227,1
6,covalent,SING,C6,C13,,,,,30210,bmse010227,1
7,covalent,DOUB,C7,C8,,,,,30210,bmse010227,1
8,covalent,SING,C7,C14,,,,,30210,bmse010227,1
9,covalent,SING,C8,C16,,,,,30210,bmse010227,1
10,covalent,DOUB,C9,C13,,,,,30210,bmse010227,1
11,covalent,SING,C9,C15,,,,,30210,bmse010227,1
12,covalent,SING,C10,C13,,,,,30210,bmse010227,1
13,covalent,DOUB,C10,C18,,,,,30210,bmse010227,1
14,covalent,DOUB,C11,C14,,,,,30210,bmse010227,1
15,covalent,SING,C11,C17,,,,,30210,bmse010227,1
16,covalent,SING,C12,C15,,,,,30210,bmse010227,1
17,covalent,SING,C12,C19,,,,,30210,bmse010227,1
18,covalent,SING,C14,C19,,,,,30210,bmse010227,1
19,covalent,DOUB,C15,C20,,,,,30210,bmse010227,1
20,covalent,DOUB,C16,C17,,,,,30210,bmse010227,1
21,covalent,SING,C16,O21,,,,,30210,bmse010227,1
22,covalent,SING,C17,O22,,,,,30210,bmse010227,1
23,covalent,SING,C18,C20,,,,,30210,bmse010227,1
24,covalent,SING,C18,O23,,,,,30210,bmse010227,1
25,covalent,SING,C19,O24,,,,,30210,bmse010227,1
26,covalent,SING,C20,O24,,,,,30210,bmse010227,1
27,covalent,SING,C1,H26,,,,,30210,bmse010227,1
28,covalent,SING,C1,H25,,,,,30210,bmse010227,1
29,covalent,SING,C1,H27,,,,,30210,bmse010227,1
30,covalent,SING,C2,H30,,,,,30210,bmse010227,1
31,covalent,SING,C2,H29,,,,,30210,bmse010227,1
32,covalent,SING,C2,H28,,,,,30210,bmse010227,1
33,covalent,SING,C3,H31,,,,,30210,bmse010227,1
34,covalent,SING,C3,H32,,,,,30210,bmse010227,1
35,covalent,SING,C3,H33,,,,,30210,bmse010227,1
36,covalent,SING,C4,H34,,,,,30210,bmse010227,1
37,covalent,SING,C4,H35,,,,,30210,bmse010227,1
38,covalent,SING,C4,H36,,,,,30210,bmse010227,1
39,covalent,SING,C5,H37,,,,,30210,bmse010227,1
40,covalent,SING,C5,H38,,,,,30210,bmse010227,1
41,covalent,SING,C6,H39,,,,,30210,bmse010227,1
42,covalent,SING,C6,H40,,,,,30210,bmse010227,1
43,covalent,SING,C7,H41,,,,,30210,bmse010227,1
44,covalent,SING,C8,H42,,,,,30210,bmse010227,1
45,covalent,SING,C9,H43,,,,,30210,bmse010227,1
46,covalent,SING,C10,H44,,,,,30210,bmse010227,1
47,covalent,SING,C11,H45,,,,,30210,bmse010227,1
48,covalent,SING,C12,H46,,,,,30210,bmse010227,1
49,covalent,SING,C19,H47,,,,,30210,bmse010227,1
50,covalent,SING,O21,H48,,,,,30210,bmse010227,1
1,covalent,SING,C1,C5,,,,,30230,bmse010228,1
2,covalent,SING,C2,C12,,,,,30230,bmse010228,1
3,covalent,SING,C3,O22,,,,,30230,bmse010228,1
4,covalent,SING,C4,O23,,,,,30230,bmse010228,1
5,covalent,DOUB,C5,C6,,,,,30230,bmse010228,1
6,covalent,SING,C6,C13,,,,,30230,bmse010228,1
7,covalent,DOUB,C7,C8,,,,,30230,bmse010228,1
8,covalent,SING,C7,C14,,,,,30230,bmse010228,1
9,covalent,SING,C8,C16,,,,,30230,bmse010228,1
10,covalent,DOUB,C9,C13,,,,,30230,bmse010228,1
11,covalent,SING,C9,C15,,,,,30230,bmse010228,1
12,covalent,SING,C10,C13,,,,,30230,bmse010228,1
13,covalent,DOUB,C10,C18,,,,,30230,bmse010228,1
14,covalent,DOUB,C11,C14,,,,,30230,bmse010228,1
15,covalent,SING,C11,C17,,,,,30230,bmse010228,1
16,covalent,SING,C12,C15,,,,,30230,bmse010228,1
17,covalent,SING,C12,C19,,,,,30230,bmse010228,1
18,covalent,SING,C14,C19,,,,,30230,bmse010228,1
19,covalent,DOUB,C15,C20,,,,,30230,bmse010228,1
20,covalent,DOUB,C16,C17,,,,,30230,bmse010228,1
21,covalent,SING,C16,O21,,,,,30230,bmse010228,1
22,covalent,SING,C17,O22,,,,,30230,bmse010228,1
23,covalent,SING,C18,C20,,,,,30230,bmse010228,1
24,covalent,SING,C18,O23,,,,,30230,bmse010228,1
25,covalent,SING,C19,O24,,,,,30230,bmse010228,1
26,covalent,SING,C20,O24,,,,,30230,bmse010228,1
27,covalent,SING,C1,H25,,,,,30230,bmse010228,1
28,covalent,SING,C1,H26,,,,,30230,bmse010228,1
29,covalent,SING,C1,H27,,,,,30230,bmse010228,1
30,covalent,SING,C2,H30,,,,,30230,bmse010228,1
31,covalent,SING,C2,H29,,,,,30230,bmse010228,1
32,covalent,SING,C2,H28,,,,,30230,bmse010228,1
33,covalent,SING,C3,H31,,,,,30230,bmse010228,1
34,covalent,SING,C3,H32,,,,,30230,bmse010228,1
35,covalent,SING,C3,H33,,,,,30230,bmse010228,1
36,covalent,SING,C4,H34,,,,,30230,bmse010228,1
37,covalent,SING,C4,H35,,,,,30230,bmse010228,1
38,covalent,SING,C4,H36,,,,,30230,bmse010228,1
39,covalent,SING,C5,H37,,,,,30230,bmse010228,1
40,covalent,SING,C6,H38,,,,,30230,bmse010228,1
41,covalent,SING,C7,H39,,,,,30230,bmse010228,1
42,covalent,SING,C8,H40,,,,,30230,bmse010228,1
43,covalent,SING,C9,H41,,,,,30230,bmse010228,1
44,covalent,SING,C10,H42,,,,,30230,bmse010228,1
45,covalent,SING,C11,H43,,,,,30230,bmse010228,1
46,covalent,SING,C12,H44,,,,,30230,bmse010228,1
47,covalent,SING,C19,H45,,,,,30230,bmse010228,1
48,covalent,SING,O21,H46,,,,,30230,bmse010228,1
1,covalent,SING,C1,O14,,,,,30250,bmse010229,1
2,covalent,SING,C2,O15,,,,,30250,bmse010229,1
3,covalent,DOUB,C3,C5,,,,,30250,bmse010229,1
4,covalent,SING,C3,C8,,,,,30250,bmse010229,1
5,covalent,DOUB,C4,C6,,,,,30250,bmse010229,1
6,covalent,SING,C4,C8,,,,,30250,bmse010229,1
7,covalent,SING,C5,C9,,,,,30250,bmse010229,1
8,covalent,SING,C6,C11,,,,,30250,bmse010229,1
9,covalent,DOUB,C7,C8,,,,,30250,bmse010229,1
10,covalent,SING,C7,C10,,,,,30250,bmse010229,1
11,covalent,DOUB,C9,C10,,,,,30250,bmse010229,1
12,covalent,SING,C9,O12,,,,,30250,bmse010229,1
13,covalent,SING,C10,O14,,,,,30250,bmse010229,1
14,covalent,DOUB,C11,O13,,,,,30250,bmse010229,1
15,covalent,SING,C11,O15,,,,,30250,bmse010229,1
16,covalent,SING,C1,H17,,,,,30250,bmse010229,1
17,covalent,SING,C1,H18,,,,,30250,bmse010229,1
18,covalent,SING,C1,H16,,,,,30250,bmse010229,1
19,covalent,SING,C2,H21,,,,,30250,bmse010229,1
20,covalent,SING,C2,H20,,,,,30250,bmse010229,1
21,covalent,SING,C2,H19,,,,,30250,bmse010229,1
22,covalent,SING,C3,H22,,,,,30250,bmse010229,1
23,covalent,SING,C4,H23,,,,,30250,bmse010229,1
24,covalent,SING,C5,H24,,,,,30250,bmse010229,1
25,covalent,SING,C6,H25,,,,,30250,bmse010229,1
26,covalent,SING,C7,H26,,,,,30250,bmse010229,1
27,covalent,SING,O12,H27,,,,,30250,bmse010229,1
1,covalent,SING,C1,O12,,,,,30270,bmse010230,1
2,covalent,SING,C2,O13,,,,,30270,bmse010230,1
3,covalent,SING,C3,O14,,,,,30270,bmse010230,1
4,covalent,DOUB,C4,C5,,,,,30270,bmse010230,1
5,covalent,SING,C4,C7,,,,,30270,bmse010230,1
6,covalent,SING,C5,C8,,,,,30270,bmse010230,1
7,covalent,DOUB,C6,C7,,,,,30270,bmse010230,1
8,covalent,SING,C6,C9,,,,,30270,bmse010230,1
9,covalent,SING,C7,C10,,,,,30270,bmse010230,1
10,covalent,DOUB,C8,C9,,,,,30270,bmse010230,1
11,covalent,SING,C8,O12,,,,,30270,bmse010230,1
12,covalent,SING,C9,O13,,,,,30270,bmse010230,1
13,covalent,DOUB,C10,O11,,,,,30270,bmse010230,1
14,covalent,SING,C10,O14,,,,,30270,bmse010230,1
15,covalent,SING,C1,H15,,,,,30270,bmse010230,1
16,covalent,SING,C1,H17,,,,,30270,bmse010230,1
17,covalent,SING,C1,H16,,,,,30270,bmse010230,1
18,covalent,SING,C2,H18,,,,,30270,bmse010230,1
19,covalent,SING,C2,H19,,,,,30270,bmse010230,1
20,covalent,SING,C2,H20,,,,,30270,bmse010230,1
21,covalent,SING,C3,H23,,,,,30270,bmse010230,1
22,covalent,SING,C3,H21,,,,,30270,bmse010230,1
23,covalent,SING,C3,H22,,,,,30270,bmse010230,1
24,covalent,SING,C4,H24,,,,,30270,bmse010230,1
25,covalent,SING,C5,H25,,,,,30270,bmse010230,1
26,covalent,SING,C6,H26,,,,,30270,bmse010230,1
1,covalent,SING,C1,O14,,,,,30290,bmse010231,1
2,covalent,SING,C2,O15,,,,,30290,bmse010231,1
3,covalent,SING,C3,O16,,,,,30290,bmse010231,1
4,covalent,DOUB,C4,C6,,,,,30290,bmse010231,1
5,covalent,SING,C4,C9,,,,,30290,bmse010231,1
6,covalent,DOUB,C5,C7,,,,,30290,bmse010231,1
7,covalent,SING,C5,C9,,,,,30290,bmse010231,1
8,covalent,SING,C6,C10,,,,,30290,bmse010231,1
9,covalent,SING,C7,C12,,,,,30290,bmse010231,1
10,covalent,DOUB,C8,C9,,,,,30290,bmse010231,1
11,covalent,SING,C8,C11,,,,,30290,bmse010231,1
12,covalent,DOUB,C10,C11,,,,,30290,bmse010231,1
13,covalent,SING,C10,O14,,,,,30290,bmse010231,1
14,covalent,SING,C11,O15,,,,,30290,bmse010231,1
15,covalent,DOUB,C12,O13,,,,,30290,bmse010231,1
16,covalent,SING,C12,O16,,,,,30290,bmse010231,1
17,covalent,SING,C1,H17,,,,,30290,bmse010231,1
18,covalent,SING,C1,H19,,,,,30290,bmse010231,1
19,covalent,SING,C1,H18,,,,,30290,bmse010231,1
20,covalent,SING,C2,H21,,,,,30290,bmse010231,1
21,covalent,SING,C2,H22,,,,,30290,bmse010231,1
22,covalent,SING,C2,H20,,,,,30290,bmse010231,1
23,covalent,SING,C3,H25,,,,,30290,bmse010231,1
24,covalent,SING,C3,H24,,,,,30290,bmse010231,1
25,covalent,SING,C3,H23,,,,,30290,bmse010231,1
26,covalent,SING,C4,H26,,,,,30290,bmse010231,1
27,covalent,SING,C5,H27,,,,,30290,bmse010231,1
28,covalent,SING,C6,H28,,,,,30290,bmse010231,1
29,covalent,SING,C7,H29,,,,,30290,bmse010231,1
30,covalent,SING,C8,H30,,,,,30290,bmse010231,1
1,covalent,SING,C1,O21,,,,,30310,bmse010232,1
2,covalent,SING,C2,O22,,,,,30310,bmse010232,1
3,covalent,SING,C3,O23,,,,,30310,bmse010232,1
4,covalent,SING,C4,O24,,,,,30310,bmse010232,1
5,covalent,DOUB,C5,C11,,,,,30310,bmse010232,1
6,covalent,SING,C5,C13,,,,,30310,bmse010232,1
7,covalent,DOUB,C6,C12,,,,,30310,bmse010232,1
8,covalent,SING,C6,C14,,,,,30310,bmse010232,1
9,covalent,SING,C7,C11,,,,,30310,bmse010232,1
10,covalent,DOUB,C7,C15,,,,,30310,bmse010232,1
11,covalent,SING,C8,C12,,,,,30310,bmse010232,1
12,covalent,DOUB,C8,C16,,,,,30310,bmse010232,1
13,covalent,SING,C9,C11,,,,,30310,bmse010232,1
14,covalent,DOUB,C9,O19,,,,,30310,bmse010232,1
15,covalent,SING,C10,C12,,,,,30310,bmse010232,1
16,covalent,DOUB,C10,O20,,,,,30310,bmse010232,1
17,covalent,SING,C13,C14,,,,,30310,bmse010232,1
18,covalent,DOUB,C13,C17,,,,,30310,bmse010232,1
19,covalent,DOUB,C14,C18,,,,,30310,bmse010232,1
20,covalent,SING,C15,C17,,,,,30310,bmse010232,1
21,covalent,SING,C15,O21,,,,,30310,bmse010232,1
22,covalent,SING,C16,C18,,,,,30310,bmse010232,1
23,covalent,SING,C16,O22,,,,,30310,bmse010232,1
24,covalent,SING,C17,O23,,,,,30310,bmse010232,1
25,covalent,SING,C18,O24,,,,,30310,bmse010232,1
26,covalent,SING,C1,H25,,,,,30310,bmse010232,1
27,covalent,SING,C1,H26,,,,,30310,bmse010232,1
28,covalent,SING,C1,H27,,,,,30310,bmse010232,1
29,covalent,SING,C2,H30,,,,,30310,bmse010232,1
30,covalent,SING,C2,H29,,,,,30310,bmse010232,1
31,covalent,SING,C2,H28,,,,,30310,bmse010232,1
32,covalent,SING,C3,H31,,,,,30310,bmse010232,1
33,covalent,SING,C3,H33,,,,,30310,bmse010232,1
34,covalent,SING,C3,H32,,,,,30310,bmse010232,1
35,covalent,SING,C4,H36,,,,,30310,bmse010232,1
36,covalent,SING,C4,H34,,,,,30310,bmse010232,1
37,covalent,SING,C4,H35,,,,,30310,bmse010232,1
38,covalent,SING,C5,H37,,,,,30310,bmse010232,1
39,covalent,SING,C6,H38,,,,,30310,bmse010232,1
40,covalent,SING,C7,H39,,,,,30310,bmse010232,1
41,covalent,SING,C8,H40,,,,,30310,bmse010232,1
42,covalent,SING,C9,H41,,,,,30310,bmse010232,1
43,covalent,SING,C10,H42,,,,,30310,bmse010232,1
1,covalent,SING,C1,O23,,,,,30330,bmse010233,1
2,covalent,SING,C2,O24,,,,,30330,bmse010233,1
3,covalent,SING,C3,O25,,,,,30330,bmse010233,1
4,covalent,SING,C4,O26,,,,,30330,bmse010233,1
5,covalent,DOUB,C5,C9,,,,,30330,bmse010233,1
6,covalent,SING,C5,C11,,,,,30330,bmse010233,1
7,covalent,DOUB,C6,C10,,,,,30330,bmse010233,1
8,covalent,SING,C6,C12,,,,,30330,bmse010233,1
9,covalent,SING,C7,C9,,,,,30330,bmse010233,1
10,covalent,DOUB,C7,C13,,,,,30330,bmse010233,1
11,covalent,SING,C8,C10,,,,,30330,bmse010233,1
12,covalent,DOUB,C8,C14,,,,,30330,bmse010233,1
13,covalent,SING,C9,C17,,,,,30330,bmse010233,1
14,covalent,SING,C10,C18,,,,,30330,bmse010233,1
15,covalent,SING,C11,C12,,,,,30330,bmse010233,1
16,covalent,DOUB,C11,C15,,,,,30330,bmse010233,1
17,covalent,DOUB,C12,C16,,,,,30330,bmse010233,1
18,covalent,SING,C13,C15,,,,,30330,bmse010233,1
19,covalent,SING,C13,O23,,,,,30330,bmse010233,1
20,covalent,SING,C14,C16,,,,,30330,bmse010233,1
21,covalent,SING,C14,O24,,,,,30330,bmse010233,1
22,covalent,SING,C15,O25,,,,,30330,bmse010233,1
23,covalent,SING,C16,O26,,,,,30330,bmse010233,1
24,covalent,SING,C17,O19,,,,,30330,bmse010233,1
25,covalent,DOUB,C17,O20,,,,,30330,bmse010233,1
26,covalent,SING,C18,O21,,,,,30330,bmse010233,1
27,covalent,DOUB,C18,O22,,,,,30330,bmse010233,1
28,covalent,SING,C1,H27,,,,,30330,bmse010233,1
29,covalent,SING,C1,H28,,,,,30330,bmse010233,1
30,covalent,SING,C1,H29,,,,,30330,bmse010233,1
31,covalent,SING,C2,H32,,,,,30330,bmse010233,1
32,covalent,SING,C2,H31,,,,,30330,bmse010233,1
33,covalent,SING,C2,H30,,,,,30330,bmse010233,1
34,covalent,SING,C3,H33,,,,,30330,bmse010233,1
35,covalent,SING,C3,H35,,,,,30330,bmse010233,1
36,covalent,SING,C3,H34,,,,,30330,bmse010233,1
37,covalent,SING,C4,H38,,,,,30330,bmse010233,1
38,covalent,SING,C4,H36,,,,,30330,bmse010233,1
39,covalent,SING,C4,H37,,,,,30330,bmse010233,1
40,covalent,SING,C5,H39,,,,,30330,bmse010233,1
41,covalent,SING,C6,H40,,,,,30330,bmse010233,1
42,covalent,SING,C7,H41,,,,,30330,bmse010233,1
43,covalent,SING,C8,H42,,,,,30330,bmse010233,1
44,covalent,SING,O19,H43,,,,,30330,bmse010233,1
45,covalent,SING,O21,H44,,,,,30330,bmse010233,1
1,covalent,SING,C1,C6,,,,,30344,bmse010234,1
2,covalent,SING,C2,C13,,,,,30344,bmse010234,1
3,covalent,SING,C3,O22,,,,,30344,bmse010234,1
4,covalent,SING,C4,O23,,,,,30344,bmse010234,1
5,covalent,SING,C5,O24,,,,,30344,bmse010234,1
6,covalent,SING,C6,C7,,,,,30344,bmse010234,1
7,covalent,SING,C7,C14,,,,,30344,bmse010234,1
8,covalent,DOUB,C8,C9,,,,,30344,bmse010234,1
9,covalent,SING,C8,C15,,,,,30344,bmse010234,1
10,covalent,SING,C9,C17,,,,,30344,bmse010234,1
11,covalent,DOUB,C10,C14,,,,,30344,bmse010234,1
12,covalent,SING,C10,C16,,,,,30344,bmse010234,1
13,covalent,SING,C11,C14,,,,,30344,bmse010234,1
14,covalent,DOUB,C11,C19,,,,,30344,bmse010234,1
15,covalent,DOUB,C12,C15,,,,,30344,bmse010234,1
16,covalent,SING,C12,C18,,,,,30344,bmse010234,1
17,covalent,SING,C13,C16,,,,,30344,bmse010234,1
18,covalent,SING,C13,C20,,,,,30344,bmse010234,1
19,covalent,SING,C15,C20,,,,,30344,bmse010234,1
20,covalent,DOUB,C16,C21,,,,,30344,bmse010234,1
21,covalent,DOUB,C17,C18,,,,,30344,bmse010234,1
22,covalent,SING,C17,O22,,,,,30344,bmse010234,1
23,covalent,SING,C18,O23,,,,,30344,bmse010234,1
24,covalent,SING,C19,C21,,,,,30344,bmse010234,1
25,covalent,SING,C19,O24,,,,,30344,bmse010234,1
26,covalent,SING,C20,O25,,,,,30344,bmse010234,1
27,covalent,SING,C21,O25,,,,,30344,bmse010234,1
28,covalent,SING,C1,H27,,,,,30344,bmse010234,1
29,covalent,SING,C1,H26,,,,,30344,bmse010234,1
30,covalent,SING,C1,H28,,,,,30344,bmse010234,1
31,covalent,SING,C2,H31,,,,,30344,bmse010234,1
32,covalent,SING,C2,H29,,,,,30344,bmse010234,1
33,covalent,SING,C2,H30,,,,,30344,bmse010234,1
34,covalent,SING,C3,H34,,,,,30344,bmse010234,1
35,covalent,SING,C3,H33,,,,,30344,bmse010234,1
36,covalent,SING,C3,H32,,,,,30344,bmse010234,1
37,covalent,SING,C4,H37,,,,,30344,bmse010234,1
38,covalent,SING,C4,H36,,,,,30344,bmse010234,1
39,covalent,SING,C4,H35,,,,,30344,bmse010234,1
40,covalent,SING,C5,H39,,,,,30344,bmse010234,1
41,covalent,SING,C5,H38,,,,,30344,bmse010234,1
42,covalent,SING,C5,H40,,,,,30344,bmse010234,1
43,covalent,SING,C6,H41,,,,,30344,bmse010234,1
44,covalent,SING,C6,H42,,,,,30344,bmse010234,1
45,covalent,SING,C7,H43,,,,,30344,bmse010234,1
46,covalent,SING,C7,H44,,,,,30344,bmse010234,1
47,covalent,SING,C8,H45,,,,,30344,bmse010234,1
48,covalent,SING,C9,H46,,,,,30344,bmse010234,1
49,covalent,SING,C10,H47,,,,,30344,bmse010234,1
50,covalent,SING,C11,H48,,,,,30344,bmse010234,1
51,covalent,SING,C12,H49,,,,,30344,bmse010234,1
52,covalent,SING,C13,H50,,,,,30344,bmse010234,1
53,covalent,SING,C20,H51,,,,,30344,bmse010234,1
1,covalent,SING,C1,C14,,,,,30364,bmse010235,1
2,covalent,SING,C2,C15,,,,,30364,bmse010235,1
3,covalent,SING,C3,C16,,,,,30364,bmse010235,1
4,covalent,SING,C4,O27,,,,,30364,bmse010235,1
5,covalent,SING,C5,O28,,,,,30364,bmse010235,1
6,covalent,DOUB,C6,C7,,,,,30364,bmse010235,1
7,covalent,SING,C6,C8,,,,,30364,bmse010235,1
8,covalent,SING,C7,C9,,,,,30364,bmse010235,1
9,covalent,DOUB,C8,C18,,,,,30364,bmse010235,1
10,covalent,DOUB,C9,C19,,,,,30364,bmse010235,1
11,covalent,DOUB,C10,C11,,,,,30364,bmse010235,1
12,covalent,SING,C10,C17,,,,,30364,bmse010235,1
13,covalent,SING,C11,C20,,,,,30364,bmse010235,1
14,covalent,DOUB,C12,C17,,,,,30364,bmse010235,1
15,covalent,SING,C12,C21,,,,,30364,bmse010235,1
16,covalent,SING,C13,C22,,,,,30364,bmse010235,1
17,covalent,SING,C13,O29,,,,,30364,bmse010235,1
18,covalent,DOUB,C14,O24,,,,,30364,bmse010235,1
19,covalent,SING,C14,O29,,,,,30364,bmse010235,1
20,covalent,DOUB,C15,O25,,,,,30364,bmse010235,1
21,covalent,SING,C15,O30,,,,,30364,bmse010235,1
22,covalent,DOUB,C16,O26,,,,,30364,bmse010235,1
23,covalent,SING,C16,O31,,,,,30364,bmse010235,1
24,covalent,SING,C17,C23,,,,,30364,bmse010235,1
25,covalent,SING,C18,C19,,,,,30364,bmse010235,1
26,covalent,SING,C18,O27,,,,,30364,bmse010235,1
27,covalent,SING,C19,O32,,,,,30364,bmse010235,1
28,covalent,DOUB,C20,C21,,,,,30364,bmse010235,1
29,covalent,SING,C20,O30,,,,,30364,bmse010235,1
30,covalent,SING,C21,O28,,,,,30364,bmse010235,1
31,covalent,SING,C22,C23,,,,,30364,bmse010235,1
32,covalent,SING,C22,O32,,,,,30364,bmse010235,1
33,covalent,SING,C23,O31,,,,,30364,bmse010235,1
34,covalent,SING,C1,H33,,,,,30364,bmse010235,1
35,covalent,SING,C1,H34,,,,,30364,bmse010235,1
36,covalent,SING,C1,H35,,,,,30364,bmse010235,1
37,covalent,SING,C2,H38,,,,,30364,bmse010235,1
38,covalent,SING,C2,H37,,,,,30364,bmse010235,1
39,covalent,SING,C2,H36,,,,,30364,bmse010235,1
40,covalent,SING,C3,H39,,,,,30364,bmse010235,1
41,covalent,SING,C3,H40,,,,,30364,bmse010235,1
42,covalent,SING,C3,H41,,,,,30364,bmse010235,1
43,covalent,SING,C4,H43,,,,,30364,bmse010235,1
44,covalent,SING,C4,H42,,,,,30364,bmse010235,1
45,covalent,SING,C4,H44,,,,,30364,bmse010235,1
46,covalent,SING,C5,H47,,,,,30364,bmse010235,1
47,covalent,SING,C5,H46,,,,,30364,bmse010235,1
48,covalent,SING,C5,H45,,,,,30364,bmse010235,1
49,covalent,SING,C6,H48,,,,,30364,bmse010235,1
50,covalent,SING,C7,H49,,,,,30364,bmse010235,1
51,covalent,SING,C8,H50,,,,,30364,bmse010235,1
52,covalent,SING,C9,H51,,,,,30364,bmse010235,1
53,covalent,SING,C10,H52,,,,,30364,bmse010235,1
54,covalent,SING,C11,H53,,,,,30364,bmse010235,1
55,covalent,SING,C12,H54,,,,,30364,bmse010235,1
56,covalent,SING,C13,H55,,,,,30364,bmse010235,1
57,covalent,SING,C13,H56,,,,,30364,bmse010235,1
58,covalent,SING,C22,H57,,,,,30364,bmse010235,1
59,covalent,SING,C23,H58,,,,,30364,bmse010235,1
1,covalent,SING,C1,C20,,,,,30384,bmse010236,1
2,covalent,SING,C2,C21,,,,,30384,bmse010236,1
3,covalent,SING,C3,C22,,,,,30384,bmse010236,1
4,covalent,SING,C4,O38,,,,,30384,bmse010236,1
5,covalent,SING,C5,O39,,,,,30384,bmse010236,1
6,covalent,SING,C6,O40,,,,,30384,bmse010236,1
7,covalent,DOUB,C7,C8,,,,,30384,bmse010236,1
8,covalent,SING,C7,C9,,,,,30384,bmse010236,1
9,covalent,SING,C8,C10,,,,,30384,bmse010236,1
10,covalent,DOUB,C9,C25,,,,,30384,bmse010236,1
11,covalent,DOUB,C10,C26,,,,,30384,bmse010236,1
12,covalent,DOUB,C11,C14,,,,,30384,bmse010236,1
13,covalent,SING,C11,C23,,,,,30384,bmse010236,1
14,covalent,DOUB,C12,C16,,,,,30384,bmse010236,1
15,covalent,SING,C12,C23,,,,,30384,bmse010236,1
16,covalent,DOUB,C13,C15,,,,,30384,bmse010236,1
17,covalent,SING,C13,C24,,,,,30384,bmse010236,1
18,covalent,SING,C14,C27,,,,,30384,bmse010236,1
19,covalent,SING,C15,C28,,,,,30384,bmse010236,1
20,covalent,SING,C16,C32,,,,,30384,bmse010236,1
21,covalent,DOUB,C17,C23,,,,,30384,bmse010236,1
22,covalent,SING,C17,C29,,,,,30384,bmse010236,1
23,covalent,DOUB,C18,C24,,,,,30384,bmse010236,1
24,covalent,SING,C18,C30,,,,,30384,bmse010236,1
25,covalent,SING,C19,C31,,,,,30384,bmse010236,1
26,covalent,SING,C19,O41,,,,,30384,bmse010236,1
27,covalent,DOUB,C20,O34,,,,,30384,bmse010236,1
28,covalent,SING,C20,O42,,,,,30384,bmse010236,1
29,covalent,DOUB,C21,O35,,,,,30384,bmse010236,1
30,covalent,SING,C21,O43,,,,,30384,bmse010236,1
31,covalent,DOUB,C22,O36,,,,,30384,bmse010236,1
32,covalent,SING,C22,O44,,,,,30384,bmse010236,1
33,covalent,SING,C24,C33,,,,,30384,bmse010236,1
34,covalent,SING,C25,C26,,,,,30384,bmse010236,1
35,covalent,SING,C25,O38,,,,,30384,bmse010236,1
36,covalent,SING,C26,O45,,,,,30384,bmse010236,1
37,covalent,DOUB,C27,C29,,,,,30384,bmse010236,1
38,covalent,SING,C27,O42,,,,,30384,bmse010236,1
39,covalent,DOUB,C28,C30,,,,,30384,bmse010236,1
40,covalent,SING,C28,O43,,,,,30384,bmse010236,1
41,covalent,SING,C29,O39,,,,,30384,bmse010236,1
42,covalent,SING,C30,O40,,,,,30384,bmse010236,1
43,covalent,SING,C31,C33,,,,,30384,bmse010236,1
44,covalent,SING,C31,O45,,,,,30384,bmse010236,1
45,covalent,DOUB,C32,O37,,,,,30384,bmse010236,1
46,covalent,SING,C32,O41,,,,,30384,bmse010236,1
47,covalent,SING,C33,O44,,,,,30384,bmse010236,1
48,covalent,SING,C1,H46,,,,,30384,bmse010236,1
49,covalent,SING,C1,H47,,,,,30384,bmse010236,1
50,covalent,SING,C1,H48,,,,,30384,bmse010236,1
51,covalent,SING,C2,H50,,,,,30384,bmse010236,1
52,covalent,SING,C2,H51,,,,,30384,bmse010236,1
53,covalent,SING,C2,H49,,,,,30384,bmse010236,1
54,covalent,SING,C3,H53,,,,,30384,bmse010236,1
55,covalent,SING,C3,H52,,,,,30384,bmse010236,1
56,covalent,SING,C3,H54,,,,,30384,bmse010236,1
57,covalent,SING,C4,H56,,,,,30384,bmse010236,1
58,covalent,SING,C4,H55,,,,,30384,bmse010236,1
59,covalent,SING,C4,H57,,,,,30384,bmse010236,1
60,covalent,SING,C5,H60,,,,,30384,bmse010236,1
61,covalent,SING,C5,H59,,,,,30384,bmse010236,1
62,covalent,SING,C5,H58,,,,,30384,bmse010236,1
63,covalent,SING,C6,H63,,,,,30384,bmse010236,1
64,covalent,SING,C6,H62,,,,,30384,bmse010236,1
65,covalent,SING,C6,H61,,,,,30384,bmse010236,1
66,covalent,SING,C7,H64,,,,,30384,bmse010236,1
67,covalent,SING,C8,H65,,,,,30384,bmse010236,1
68,covalent,SING,C9,H66,,,,,30384,bmse010236,1
69,covalent,SING,C10,H67,,,,,30384,bmse010236,1
70,covalent,SING,C11,H68,,,,,30384,bmse010236,1
71,covalent,SING,C12,H69,,,,,30384,bmse010236,1
72,covalent,SING,C13,H70,,,,,30384,bmse010236,1
73,covalent,SING,C14,H71,,,,,30384,bmse010236,1
74,covalent,SING,C15,H72,,,,,30384,bmse010236,1
75,covalent,SING,C16,H73,,,,,30384,bmse010236,1
76,covalent,SING,C17,H74,,,,,30384,bmse010236,1
77,covalent,SING,C18,H75,,,,,30384,bmse010236,1
78,covalent,SING,C19,H76,,,,,30384,bmse010236,1
79,covalent,SING,C19,H77,,,,,30384,bmse010236,1
80,covalent,SING,C31,H78,,,,,30384,bmse010236,1
81,covalent,SING,C33,H79,,,,,30384,bmse010236,1
1,covalent,SING,C1,C20,,,,,30404,bmse010237,1
2,covalent,SING,C2,C21,,,,,30404,bmse010237,1
3,covalent,SING,C3,C22,,,,,30404,bmse010237,1
4,covalent,SING,C4,O38,,,,,30404,bmse010237,1
5,covalent,SING,C5,O39,,,,,30404,bmse010237,1
6,covalent,SING,C6,O40,,,,,30404,bmse010237,1
7,covalent,DOUB,C7,C8,,,,,30404,bmse010237,1
8,covalent,SING,C7,C9,,,,,30404,bmse010237,1
9,covalent,SING,C8,C10,,,,,30404,bmse010237,1
10,covalent,DOUB,C9,C25,,,,,30404,bmse010237,1
11,covalent,DOUB,C10,C26,,,,,30404,bmse010237,1
12,covalent,DOUB,C11,C14,,,,,30404,bmse010237,1
13,covalent,SING,C11,C23,,,,,30404,bmse010237,1
14,covalent,DOUB,C12,C16,,,,,30404,bmse010237,1
15,covalent,SING,C12,C23,,,,,30404,bmse010237,1
16,covalent,DOUB,C13,C15,,,,,30404,bmse010237,1
17,covalent,SING,C13,C24,,,,,30404,bmse010237,1
18,covalent,SING,C14,C27,,,,,30404,bmse010237,1
19,covalent,SING,C15,C28,,,,,30404,bmse010237,1
20,covalent,SING,C16,C32,,,,,30404,bmse010237,1
21,covalent,DOUB,C17,C23,,,,,30404,bmse010237,1
22,covalent,SING,C17,C29,,,,,30404,bmse010237,1
23,covalent,DOUB,C18,C24,,,,,30404,bmse010237,1
24,covalent,SING,C18,C30,,,,,30404,bmse010237,1
25,covalent,SING,C19,C31,,,,,30404,bmse010237,1
26,covalent,SING,C19,O41,,,,,30404,bmse010237,1
27,covalent,DOUB,C20,O34,,,,,30404,bmse010237,1
28,covalent,SING,C20,O42,,,,,30404,bmse010237,1
29,covalent,DOUB,C21,O35,,,,,30404,bmse010237,1
30,covalent,SING,C21,O43,,,,,30404,bmse010237,1
31,covalent,DOUB,C22,O36,,,,,30404,bmse010237,1
32,covalent,SING,C22,O44,,,,,30404,bmse010237,1
33,covalent,SING,C24,C33,,,,,30404,bmse010237,1
34,covalent,SING,C25,C26,,,,,30404,bmse010237,1
35,covalent,SING,C25,O38,,,,,30404,bmse010237,1
36,covalent,SING,C26,O45,,,,,30404,bmse010237,1
37,covalent,DOUB,C27,C29,,,,,30404,bmse010237,1
38,covalent,SING,C27,O42,,,,,30404,bmse010237,1
39,covalent,DOUB,C28,C30,,,,,30404,bmse010237,1
40,covalent,SING,C28,O43,,,,,30404,bmse010237,1
41,covalent,SING,C29,O39,,,,,30404,bmse010237,1
42,covalent,SING,C30,O40,,,,,30404,bmse010237,1
43,covalent,SING,C31,C33,,,,,30404,bmse010237,1
44,covalent,SING,C31,O45,,,,,30404,bmse010237,1
45,covalent,DOUB,C32,O37,,,,,30404,bmse010237,1
46,covalent,SING,C32,O41,,,,,30404,bmse010237,1
47,covalent,SING,C33,O44,,,,,30404,bmse010237,1
48,covalent,SING,C1,H46,,,,,30404,bmse010237,1
49,covalent,SING,C1,H47,,,,,30404,bmse010237,1
50,covalent,SING,C1,H48,,,,,30404,bmse010237,1
51,covalent,SING,C2,H50,,,,,30404,bmse010237,1
52,covalent,SING,C2,H51,,,,,30404,bmse010237,1
53,covalent,SING,C2,H49,,,,,30404,bmse010237,1
54,covalent,SING,C3,H53,,,,,30404,bmse010237,1
55,covalent,SING,C3,H52,,,,,30404,bmse010237,1
56,covalent,SING,C3,H54,,,,,30404,bmse010237,1
57,covalent,SING,C4,H56,,,,,30404,bmse010237,1
58,covalent,SING,C4,H55,,,,,30404,bmse010237,1
59,covalent,SING,C4,H57,,,,,30404,bmse010237,1
60,covalent,SING,C5,H60,,,,,30404,bmse010237,1
61,covalent,SING,C5,H59,,,,,30404,bmse010237,1
62,covalent,SING,C5,H58,,,,,30404,bmse010237,1
63,covalent,SING,C6,H63,,,,,30404,bmse010237,1
64,covalent,SING,C6,H62,,,,,30404,bmse010237,1
65,covalent,SING,C6,H61,,,,,30404,bmse010237,1
66,covalent,SING,C7,H64,,,,,30404,bmse010237,1
67,covalent,SING,C8,H65,,,,,30404,bmse010237,1
68,covalent,SING,C9,H66,,,,,30404,bmse010237,1
69,covalent,SING,C10,H67,,,,,30404,bmse010237,1
70,covalent,SING,C11,H68,,,,,30404,bmse010237,1
71,covalent,SING,C12,H69,,,,,30404,bmse010237,1
72,covalent,SING,C13,H70,,,,,30404,bmse010237,1
73,covalent,SING,C14,H71,,,,,30404,bmse010237,1
74,covalent,SING,C15,H72,,,,,30404,bmse010237,1
75,covalent,SING,C16,H73,,,,,30404,bmse010237,1
76,covalent,SING,C17,H74,,,,,30404,bmse010237,1
77,covalent,SING,C18,H75,,,,,30404,bmse010237,1
78,covalent,SING,C19,H76,,,,,30404,bmse010237,1
79,covalent,SING,C19,H77,,,,,30404,bmse010237,1
80,covalent,SING,C31,H78,,,,,30404,bmse010237,1
81,covalent,SING,C33,H79,,,,,30404,bmse010237,1
1,covalent,SING,C1,C20,,,,,30424,bmse010238,1
2,covalent,SING,C2,C21,,,,,30424,bmse010238,1
3,covalent,SING,C3,C22,,,,,30424,bmse010238,1
4,covalent,SING,C4,O37,,,,,30424,bmse010238,1
5,covalent,SING,C5,O38,,,,,30424,bmse010238,1
6,covalent,DOUB,C6,C7,,,,,30424,bmse010238,1
7,covalent,SING,C6,C8,,,,,30424,bmse010238,1
8,covalent,SING,C7,C9,,,,,30424,bmse010238,1
9,covalent,DOUB,C8,C26,,,,,30424,bmse010238,1
10,covalent,DOUB,C9,C27,,,,,30424,bmse010238,1
11,covalent,SING,C10,C14,,,,,30424,bmse010238,1
12,covalent,DOUB,C10,C23,,,,,30424,bmse010238,1
13,covalent,DOUB,C11,C15,,,,,30424,bmse010238,1
14,covalent,SING,C11,C23,,,,,30424,bmse010238,1
15,covalent,DOUB,C12,C17,,,,,30424,bmse010238,1
16,covalent,SING,C12,C23,,,,,30424,bmse010238,1
17,covalent,DOUB,C13,C16,,,,,30424,bmse010238,1
18,covalent,SING,C13,C24,,,,,30424,bmse010238,1
19,covalent,DOUB,C14,C25,,,,,30424,bmse010238,1
20,covalent,SING,C15,C25,,,,,30424,bmse010238,1
21,covalent,SING,C16,C28,,,,,30424,bmse010238,1
22,covalent,SING,C17,C31,,,,,30424,bmse010238,1
23,covalent,DOUB,C18,C24,,,,,30424,bmse010238,1
24,covalent,SING,C18,C29,,,,,30424,bmse010238,1
25,covalent,SING,C19,C30,,,,,30424,bmse010238,1
26,covalent,SING,C19,O39,,,,,30424,bmse010238,1
27,covalent,DOUB,C20,O33,,,,,30424,bmse010238,1
28,covalent,SING,C20,O39,,,,,30424,bmse010238,1
29,covalent,DOUB,C21,O34,,,,,30424,bmse010238,1
30,covalent,SING,C21,O40,,,,,30424,bmse010238,1
31,covalent,DOUB,C22,O35,,,,,30424,bmse010238,1
32,covalent,SING,C22,O41,,,,,30424,bmse010238,1
33,covalent,SING,C24,C32,,,,,30424,bmse010238,1
34,covalent,SING,C25,O40,,,,,30424,bmse010238,1
35,covalent,SING,C26,C27,,,,,30424,bmse010238,1
36,covalent,SING,C26,O37,,,,,30424,bmse010238,1
37,covalent,SING,C27,O42,,,,,30424,bmse010238,1
38,covalent,DOUB,C28,C29,,,,,30424,bmse010238,1
39,covalent,SING,C28,O41,,,,,30424,bmse010238,1
40,covalent,SING,C29,O38,,,,,30424,bmse010238,1
41,covalent,SING,C30,C32,,,,,30424,bmse010238,1
42,covalent,SING,C30,O42,,,,,30424,bmse010238,1
43,covalent,DOUB,C31,O36,,,,,30424,bmse010238,1
44,covalent,SING,C31,O43,,,,,30424,bmse010238,1
45,covalent,SING,C32,O43,,,,,30424,bmse010238,1
46,covalent,SING,C1,H44,,,,,30424,bmse010238,1
47,covalent,SING,C1,H45,,,,,30424,bmse010238,1
48,covalent,SING,C1,H46,,,,,30424,bmse010238,1
49,covalent,SING,C2,H47,,,,,30424,bmse010238,1
50,covalent,SING,C2,H48,,,,,30424,bmse010238,1
51,covalent,SING,C2,H49,,,,,30424,bmse010238,1
52,covalent,SING,C3,H50,,,,,30424,bmse010238,1
53,covalent,SING,C3,H51,,,,,30424,bmse010238,1
54,covalent,SING,C3,H52,,,,,30424,bmse010238,1
55,covalent,SING,C4,H53,,,,,30424,bmse010238,1
56,covalent,SING,C4,H54,,,,,30424,bmse010238,1
57,covalent,SING,C4,H55,,,,,30424,bmse010238,1
58,covalent,SING,C5,H56,,,,,30424,bmse010238,1
59,covalent,SING,C5,H57,,,,,30424,bmse010238,1
60,covalent,SING,C5,H58,,,,,30424,bmse010238,1
61,covalent,SING,C6,H59,,,,,30424,bmse010238,1
62,covalent,SING,C7,H60,,,,,30424,bmse010238,1
63,covalent,SING,C8,H61,,,,,30424,bmse010238,1
64,covalent,SING,C9,H62,,,,,30424,bmse010238,1
65,covalent,SING,C10,H63,,,,,30424,bmse010238,1
66,covalent,SING,C11,H64,,,,,30424,bmse010238,1
67,covalent,SING,C12,H65,,,,,30424,bmse010238,1
68,covalent,SING,C13,H66,,,,,30424,bmse010238,1
69,covalent,SING,C14,H67,,,,,30424,bmse010238,1
70,covalent,SING,C15,H68,,,,,30424,bmse010238,1
71,covalent,SING,C16,H69,,,,,30424,bmse010238,1
72,covalent,SING,C17,H70,,,,,30424,bmse010238,1
73,covalent,SING,C18,H71,,,,,30424,bmse010238,1
74,covalent,SING,C19,H72,,,,,30424,bmse010238,1
75,covalent,SING,C19,H73,,,,,30424,bmse010238,1
76,covalent,SING,C30,H74,,,,,30424,bmse010238,1
77,covalent,SING,C32,H75,,,,,30424,bmse010238,1
1,covalent,SING,C1,C20,,,,,30444,bmse010239,1
2,covalent,SING,C2,C21,,,,,30444,bmse010239,1
3,covalent,SING,C3,C22,,,,,30444,bmse010239,1
4,covalent,SING,C4,O37,,,,,30444,bmse010239,1
5,covalent,SING,C5,O38,,,,,30444,bmse010239,1
6,covalent,DOUB,C6,C7,,,,,30444,bmse010239,1
7,covalent,SING,C6,C8,,,,,30444,bmse010239,1
8,covalent,SING,C7,C9,,,,,30444,bmse010239,1
9,covalent,DOUB,C8,C26,,,,,30444,bmse010239,1
10,covalent,DOUB,C9,C27,,,,,30444,bmse010239,1
11,covalent,SING,C10,C14,,,,,30444,bmse010239,1
12,covalent,DOUB,C10,C23,,,,,30444,bmse010239,1
13,covalent,DOUB,C11,C15,,,,,30444,bmse010239,1
14,covalent,SING,C11,C23,,,,,30444,bmse010239,1
15,covalent,DOUB,C12,C17,,,,,30444,bmse010239,1
16,covalent,SING,C12,C23,,,,,30444,bmse010239,1
17,covalent,DOUB,C13,C16,,,,,30444,bmse010239,1
18,covalent,SING,C13,C24,,,,,30444,bmse010239,1
19,covalent,DOUB,C14,C25,,,,,30444,bmse010239,1
20,covalent,SING,C15,C25,,,,,30444,bmse010239,1
21,covalent,SING,C16,C28,,,,,30444,bmse010239,1
22,covalent,SING,C17,C31,,,,,30444,bmse010239,1
23,covalent,DOUB,C18,C24,,,,,30444,bmse010239,1
24,covalent,SING,C18,C29,,,,,30444,bmse010239,1
25,covalent,SING,C19,C30,,,,,30444,bmse010239,1
26,covalent,SING,C19,O39,,,,,30444,bmse010239,1
27,covalent,DOUB,C20,O33,,,,,30444,bmse010239,1
28,covalent,SING,C20,O39,,,,,30444,bmse010239,1
29,covalent,DOUB,C21,O34,,,,,30444,bmse010239,1
30,covalent,SING,C21,O40,,,,,30444,bmse010239,1
31,covalent,DOUB,C22,O35,,,,,30444,bmse010239,1
32,covalent,SING,C22,O41,,,,,30444,bmse010239,1
33,covalent,SING,C24,C32,,,,,30444,bmse010239,1
34,covalent,SING,C25,O40,,,,,30444,bmse010239,1
35,covalent,SING,C26,C27,,,,,30444,bmse010239,1
36,covalent,SING,C26,O37,,,,,30444,bmse010239,1
37,covalent,SING,C27,O42,,,,,30444,bmse010239,1
38,covalent,DOUB,C28,C29,,,,,30444,bmse010239,1
39,covalent,SING,C28,O41,,,,,30444,bmse010239,1
40,covalent,SING,C29,O38,,,,,30444,bmse010239,1
41,covalent,SING,C30,C32,,,,,30444,bmse010239,1
42,covalent,SING,C30,O42,,,,,30444,bmse010239,1
43,covalent,DOUB,C31,O36,,,,,30444,bmse010239,1
44,covalent,SING,C31,O43,,,,,30444,bmse010239,1
45,covalent,SING,C32,O43,,,,,30444,bmse010239,1
46,covalent,SING,C1,H44,,,,,30444,bmse010239,1
47,covalent,SING,C1,H45,,,,,30444,bmse010239,1
48,covalent,SING,C1,H46,,,,,30444,bmse010239,1
49,covalent,SING,C2,H47,,,,,30444,bmse010239,1
50,covalent,SING,C2,H48,,,,,30444,bmse010239,1
51,covalent,SING,C2,H49,,,,,30444,bmse010239,1
52,covalent,SING,C3,H50,,,,,30444,bmse010239,1
53,covalent,SING,C3,H51,,,,,30444,bmse010239,1
54,covalent,SING,C3,H52,,,,,30444,bmse010239,1
55,covalent,SING,C4,H53,,,,,30444,bmse010239,1
56,covalent,SING,C4,H54,,,,,30444,bmse010239,1
57,covalent,SING,C4,H55,,,,,30444,bmse010239,1
58,covalent,SING,C5,H56,,,,,30444,bmse010239,1
59,covalent,SING,C5,H57,,,,,30444,bmse010239,1
60,covalent,SING,C5,H58,,,,,30444,bmse010239,1
61,covalent,SING,C6,H59,,,,,30444,bmse010239,1
62,covalent,SING,C7,H60,,,,,30444,bmse010239,1
63,covalent,SING,C8,H61,,,,,30444,bmse010239,1
64,covalent,SING,C9,H62,,,,,30444,bmse010239,1
65,covalent,SING,C10,H63,,,,,30444,bmse010239,1
66,covalent,SING,C11,H64,,,,,30444,bmse010239,1
67,covalent,SING,C12,H65,,,,,30444,bmse010239,1
68,covalent,SING,C13,H66,,,,,30444,bmse010239,1
69,covalent,SING,C14,H67,,,,,30444,bmse010239,1
70,covalent,SING,C15,H68,,,,,30444,bmse010239,1
71,covalent,SING,C16,H69,,,,,30444,bmse010239,1
72,covalent,SING,C17,H70,,,,,30444,bmse010239,1
73,covalent,SING,C18,H71,,,,,30444,bmse010239,1
74,covalent,SING,C19,H72,,,,,30444,bmse010239,1
75,covalent,SING,C19,H73,,,,,30444,bmse010239,1
76,covalent,SING,C30,H74,,,,,30444,bmse010239,1
77,covalent,SING,C32,H75,,,,,30444,bmse010239,1
1,covalent,SING,C1,C12,,,,,30464,bmse010240,1
2,covalent,SING,C2,C13,,,,,30464,bmse010240,1
3,covalent,SING,C3,O28,,,,,30464,bmse010240,1
4,covalent,SING,C4,O29,,,,,30464,bmse010240,1
5,covalent,SING,C5,O30,,,,,30464,bmse010240,1
6,covalent,SING,C6,O31,,,,,30464,bmse010240,1
7,covalent,DOUB,C7,C14,,,,,30464,bmse010240,1
8,covalent,SING,C7,C16,,,,,30464,bmse010240,1
9,covalent,SING,C8,C14,,,,,30464,bmse010240,1
10,covalent,DOUB,C8,C17,,,,,30464,bmse010240,1
11,covalent,DOUB,C9,C15,,,,,30464,bmse010240,1
12,covalent,SING,C9,C18,,,,,30464,bmse010240,1
13,covalent,SING,C10,C15,,,,,30464,bmse010240,1
14,covalent,DOUB,C10,C19,,,,,30464,bmse010240,1
15,covalent,SING,C11,C20,,,,,30464,bmse010240,1
16,covalent,SING,C11,O24,,,,,30464,bmse010240,1
17,covalent,SING,C12,C14,,,,,30464,bmse010240,1
18,covalent,DOUB,C12,O25,,,,,30464,bmse010240,1
19,covalent,DOUB,C13,O26,,,,,30464,bmse010240,1
20,covalent,SING,C13,O32,,,,,30464,bmse010240,1
21,covalent,SING,C15,C21,,,,,30464,bmse010240,1
22,covalent,DOUB,C16,C23,,,,,30464,bmse010240,1
23,covalent,SING,C16,O28,,,,,30464,bmse010240,1
24,covalent,SING,C17,C23,,,,,30464,bmse010240,1
25,covalent,SING,C17,O29,,,,,30464,bmse010240,1
26,covalent,DOUB,C18,C22,,,,,30464,bmse010240,1
27,covalent,SING,C18,O30,,,,,30464,bmse010240,1
28,covalent,SING,C19,C22,,,,,30464,bmse010240,1
29,covalent,SING,C19,O31,,,,,30464,bmse010240,1
30,covalent,SING,C20,C21,,,,,30464,bmse010240,1
31,covalent,SING,C20,O33,,,,,30464,bmse010240,1
32,covalent,DOUB,C21,O27,,,,,30464,bmse010240,1
33,covalent,SING,C22,O32,,,,,30464,bmse010240,1
34,covalent,SING,C23,O33,,,,,30464,bmse010240,1
35,covalent,SING,C1,H34,,,,,30464,bmse010240,1
36,covalent,SING,C1,H35,,,,,30464,bmse010240,1
37,covalent,SING,C1,H36,,,,,30464,bmse010240,1
38,covalent,SING,C2,H37,,,,,30464,bmse010240,1
39,covalent,SING,C2,H38,,,,,30464,bmse010240,1
40,covalent,SING,C2,H39,,,,,30464,bmse010240,1
41,covalent,SING,C3,H40,,,,,30464,bmse010240,1
42,covalent,SING,C3,H41,,,,,30464,bmse010240,1
43,covalent,SING,C3,H42,,,,,30464,bmse010240,1
44,covalent,SING,C4,H43,,,,,30464,bmse010240,1
45,covalent,SING,C4,H44,,,,,30464,bmse010240,1
46,covalent,SING,C4,H45,,,,,30464,bmse010240,1
47,covalent,SING,C5,H46,,,,,30464,bmse010240,1
48,covalent,SING,C5,H47,,,,,30464,bmse010240,1
49,covalent,SING,C5,H48,,,,,30464,bmse010240,1
50,covalent,SING,C6,H49,,,,,30464,bmse010240,1
51,covalent,SING,C6,H50,,,,,30464,bmse010240,1
52,covalent,SING,C6,H51,,,,,30464,bmse010240,1
53,covalent,SING,C7,H52,,,,,30464,bmse010240,1
54,covalent,SING,C8,H53,,,,,30464,bmse010240,1
55,covalent,SING,C9,H54,,,,,30464,bmse010240,1
56,covalent,SING,C10,H55,,,,,30464,bmse010240,1
57,covalent,SING,C11,H56,,,,,30464,bmse010240,1
58,covalent,SING,C11,H57,,,,,30464,bmse010240,1
59,covalent,SING,C20,H58,,,,,30464,bmse010240,1
60,covalent,SING,O24,H59,,,,,30464,bmse010240,1
1,covalent,SING,C1,C12,,,,,30484,bmse010241,1
2,covalent,SING,C2,C13,,,,,30484,bmse010241,1
3,covalent,SING,C3,O26,,,,,30484,bmse010241,1
4,covalent,SING,C4,O27,,,,,30484,bmse010241,1
5,covalent,SING,C5,C7,,,,,30484,bmse010241,1
6,covalent,DOUB,C5,C14,,,,,30484,bmse010241,1
7,covalent,DOUB,C6,C8,,,,,30484,bmse010241,1
8,covalent,SING,C6,C14,,,,,30484,bmse010241,1
9,covalent,DOUB,C7,C16,,,,,30484,bmse010241,1
10,covalent,SING,C8,C16,,,,,30484,bmse010241,1
11,covalent,DOUB,C9,C15,,,,,30484,bmse010241,1
12,covalent,SING,C9,C17,,,,,30484,bmse010241,1
13,covalent,SING,C10,C15,,,,,30484,bmse010241,1
14,covalent,DOUB,C10,C18,,,,,30484,bmse010241,1
15,covalent,SING,C11,C19,,,,,30484,bmse010241,1
16,covalent,SING,C11,O22,,,,,30484,bmse010241,1
17,covalent,SING,C12,C14,,,,,30484,bmse010241,1
18,covalent,DOUB,C12,O23,,,,,30484,bmse010241,1
19,covalent,DOUB,C13,O24,,,,,30484,bmse010241,1
20,covalent,SING,C13,O28,,,,,30484,bmse010241,1
21,covalent,SING,C15,C20,,,,,30484,bmse010241,1
22,covalent,SING,C16,O29,,,,,30484,bmse010241,1
23,covalent,DOUB,C17,C21,,,,,30484,bmse010241,1
24,covalent,SING,C17,O26,,,,,30484,bmse010241,1
25,covalent,SING,C18,C21,,,,,30484,bmse010241,1
26,covalent,SING,C18,O27,,,,,30484,bmse010241,1
27,covalent,SING,C19,C20,,,,,30484,bmse010241,1
28,covalent,SING,C19,O29,,,,,30484,bmse010241,1
29,covalent,DOUB,C20,O25,,,,,30484,bmse010241,1
30,covalent,SING,C21,O28,,,,,30484,bmse010241,1
31,covalent,SING,C1,H32,,,,,30484,bmse010241,1
32,covalent,SING,C1,H31,,,,,30484,bmse010241,1
33,covalent,SING,C1,H30,,,,,30484,bmse010241,1
34,covalent,SING,C2,H33,,,,,30484,bmse010241,1
35,covalent,SING,C2,H35,,,,,30484,bmse010241,1
36,covalent,SING,C2,H34,,,,,30484,bmse010241,1
37,covalent,SING,C3,H38,,,,,30484,bmse010241,1
38,covalent,SING,C3,H36,,,,,30484,bmse010241,1
39,covalent,SING,C3,H37,,,,,30484,bmse010241,1
40,covalent,SING,C4,H41,,,,,30484,bmse010241,1
41,covalent,SING,C4,H40,,,,,30484,bmse010241,1
42,covalent,SING,C4,H39,,,,,30484,bmse010241,1
43,covalent,SING,C5,H42,,,,,30484,bmse010241,1
44,covalent,SING,C6,H43,,,,,30484,bmse010241,1
45,covalent,SING,C7,H44,,,,,30484,bmse010241,1
46,covalent,SING,C8,H45,,,,,30484,bmse010241,1
47,covalent,SING,C9,H46,,,,,30484,bmse010241,1
48,covalent,SING,C10,H47,,,,,30484,bmse010241,1
49,covalent,SING,C11,H48,,,,,30484,bmse010241,1
50,covalent,SING,C11,H49,,,,,30484,bmse010241,1
51,covalent,SING,C19,H50,,,,,30484,bmse010241,1
52,covalent,SING,O22,H51,,,,,30484,bmse010241,1
1,covalent,SING,C1,C12,,,,,30504,bmse010242,1
2,covalent,SING,C2,C13,,,,,30504,bmse010242,1
3,covalent,SING,C3,O27,,,,,30504,bmse010242,1
4,covalent,SING,C4,O28,,,,,30504,bmse010242,1
5,covalent,SING,C5,O29,,,,,30504,bmse010242,1
6,covalent,DOUB,C6,C7,,,,,30504,bmse010242,1
7,covalent,SING,C6,C14,,,,,30504,bmse010242,1
8,covalent,SING,C7,C16,,,,,30504,bmse010242,1
9,covalent,DOUB,C8,C14,,,,,30504,bmse010242,1
10,covalent,SING,C8,C17,,,,,30504,bmse010242,1
11,covalent,DOUB,C9,C15,,,,,30504,bmse010242,1
12,covalent,SING,C9,C18,,,,,30504,bmse010242,1
13,covalent,SING,C10,C15,,,,,30504,bmse010242,1
14,covalent,DOUB,C10,C19,,,,,30504,bmse010242,1
15,covalent,SING,C11,C20,,,,,30504,bmse010242,1
16,covalent,SING,C11,O23,,,,,30504,bmse010242,1
17,covalent,SING,C12,C14,,,,,30504,bmse010242,1
18,covalent,DOUB,C12,O24,,,,,30504,bmse010242,1
19,covalent,DOUB,C13,O25,,,,,30504,bmse010242,1
20,covalent,SING,C13,O30,,,,,30504,bmse010242,1
21,covalent,SING,C15,C21,,,,,30504,bmse010242,1
22,covalent,DOUB,C16,C17,,,,,30504,bmse010242,1
23,covalent,SING,C16,O31,,,,,30504,bmse010242,1
24,covalent,SING,C17,O27,,,,,30504,bmse010242,1
25,covalent,DOUB,C18,C22,,,,,30504,bmse010242,1
26,covalent,SING,C18,O28,,,,,30504,bmse010242,1
27,covalent,SING,C19,C22,,,,,30504,bmse010242,1
28,covalent,SING,C19,O29,,,,,30504,bmse010242,1
29,covalent,SING,C20,C21,,,,,30504,bmse010242,1
30,covalent,SING,C20,O31,,,,,30504,bmse010242,1
31,covalent,DOUB,C21,O26,,,,,30504,bmse010242,1
32,covalent,SING,C22,O30,,,,,30504,bmse010242,1
33,covalent,SING,C1,H32,,,,,30504,bmse010242,1
34,covalent,SING,C1,H33,,,,,30504,bmse010242,1
35,covalent,SING,C1,H34,,,,,30504,bmse010242,1
36,covalent,SING,C2,H35,,,,,30504,bmse010242,1
37,covalent,SING,C2,H37,,,,,30504,bmse010242,1
38,covalent,SING,C2,H36,,,,,30504,bmse010242,1
39,covalent,SING,C3,H39,,,,,30504,bmse010242,1
40,covalent,SING,C3,H38,,,,,30504,bmse010242,1
41,covalent,SING,C3,H40,,,,,30504,bmse010242,1
42,covalent,SING,C4,H43,,,,,30504,bmse010242,1
43,covalent,SING,C4,H41,,,,,30504,bmse010242,1
44,covalent,SING,C4,H42,,,,,30504,bmse010242,1
45,covalent,SING,C5,H46,,,,,30504,bmse010242,1
46,covalent,SING,C5,H45,,,,,30504,bmse010242,1
47,covalent,SING,C5,H44,,,,,30504,bmse010242,1
48,covalent,SING,C6,H47,,,,,30504,bmse010242,1
49,covalent,SING,C7,H48,,,,,30504,bmse010242,1
50,covalent,SING,C8,H49,,,,,30504,bmse010242,1
51,covalent,SING,C9,H50,,,,,30504,bmse010242,1
52,covalent,SING,C10,H51,,,,,30504,bmse010242,1
53,covalent,SING,C11,H52,,,,,30504,bmse010242,1
54,covalent,SING,C11,H53,,,,,30504,bmse010242,1
55,covalent,SING,C20,H54,,,,,30504,bmse010242,1
56,covalent,SING,O23,H55,,,,,30504,bmse010242,1
1,covalent,SING,C1,C20,,,,,30524,bmse010243,1
2,covalent,SING,C2,C21,,,,,30524,bmse010243,1
3,covalent,SING,C3,C22,,,,,30524,bmse010243,1
4,covalent,SING,C4,O37,,,,,30524,bmse010243,1
5,covalent,SING,C5,O38,,,,,30524,bmse010243,1
6,covalent,DOUB,C6,C7,,,,,30524,bmse010243,1
7,covalent,SING,C6,C8,,,,,30524,bmse010243,1
8,covalent,SING,C7,C9,,,,,30524,bmse010243,1
9,covalent,DOUB,C8,C26,,,,,30524,bmse010243,1
10,covalent,DOUB,C9,C27,,,,,30524,bmse010243,1
11,covalent,SING,C10,C14,,,,,30524,bmse010243,1
12,covalent,DOUB,C10,C23,,,,,30524,bmse010243,1
13,covalent,DOUB,C11,C15,,,,,30524,bmse010243,1
14,covalent,SING,C11,C23,,,,,30524,bmse010243,1
15,covalent,DOUB,C12,C17,,,,,30524,bmse010243,1
16,covalent,SING,C12,C23,,,,,30524,bmse010243,1
17,covalent,DOUB,C13,C16,,,,,30524,bmse010243,1
18,covalent,SING,C13,C24,,,,,30524,bmse010243,1
19,covalent,DOUB,C14,C25,,,,,30524,bmse010243,1
20,covalent,SING,C15,C25,,,,,30524,bmse010243,1
21,covalent,SING,C16,C28,,,,,30524,bmse010243,1
22,covalent,SING,C17,C31,,,,,30524,bmse010243,1
23,covalent,DOUB,C18,C24,,,,,30524,bmse010243,1
24,covalent,SING,C18,C29,,,,,30524,bmse010243,1
25,covalent,SING,C19,C30,,,,,30524,bmse010243,1
26,covalent,SING,C19,O39,,,,,30524,bmse010243,1
27,covalent,DOUB,C20,O33,,,,,30524,bmse010243,1
28,covalent,SING,C20,O40,,,,,30524,bmse010243,1
29,covalent,DOUB,C21,O34,,,,,30524,bmse010243,1
30,covalent,SING,C21,O41,,,,,30524,bmse010243,1
31,covalent,DOUB,C22,O35,,,,,30524,bmse010243,1
32,covalent,SING,C22,O42,,,,,30524,bmse010243,1
33,covalent,SING,C24,C32,,,,,30524,bmse010243,1
34,covalent,SING,C25,O40,,,,,30524,bmse010243,1
35,covalent,SING,C26,C27,,,,,30524,bmse010243,1
36,covalent,SING,C26,O37,,,,,30524,bmse010243,1
37,covalent,SING,C27,O43,,,,,30524,bmse010243,1
38,covalent,DOUB,C28,C29,,,,,30524,bmse010243,1
39,covalent,SING,C28,O41,,,,,30524,bmse010243,1
40,covalent,SING,C29,O38,,,,,30524,bmse010243,1
41,covalent,SING,C30,C32,,,,,30524,bmse010243,1
42,covalent,SING,C30,O43,,,,,30524,bmse010243,1
43,covalent,DOUB,C31,O36,,,,,30524,bmse010243,1
44,covalent,SING,C31,O39,,,,,30524,bmse010243,1
45,covalent,SING,C32,O42,,,,,30524,bmse010243,1
46,covalent,SING,C1,H45,,,,,30524,bmse010243,1
47,covalent,SING,C1,H46,,,,,30524,bmse010243,1
48,covalent,SING,C1,H44,,,,,30524,bmse010243,1
49,covalent,SING,C2,H48,,,,,30524,bmse010243,1
50,covalent,SING,C2,H49,,,,,30524,bmse010243,1
51,covalent,SING,C2,H47,,,,,30524,bmse010243,1
52,covalent,SING,C3,H51,,,,,30524,bmse010243,1
53,covalent,SING,C3,H50,,,,,30524,bmse010243,1
54,covalent,SING,C3,H52,,,,,30524,bmse010243,1
55,covalent,SING,C4,H54,,,,,30524,bmse010243,1
56,covalent,SING,C4,H53,,,,,30524,bmse010243,1
57,covalent,SING,C4,H55,,,,,30524,bmse010243,1
58,covalent,SING,C5,H58,,,,,30524,bmse010243,1
59,covalent,SING,C5,H57,,,,,30524,bmse010243,1
60,covalent,SING,C5,H56,,,,,30524,bmse010243,1
61,covalent,SING,C6,H59,,,,,30524,bmse010243,1
62,covalent,SING,C7,H60,,,,,30524,bmse010243,1
63,covalent,SING,C8,H61,,,,,30524,bmse010243,1
64,covalent,SING,C9,H62,,,,,30524,bmse010243,1
65,covalent,SING,C10,H63,,,,,30524,bmse010243,1
66,covalent,SING,C11,H64,,,,,30524,bmse010243,1
67,covalent,SING,C12,H65,,,,,30524,bmse010243,1
68,covalent,SING,C13,H66,,,,,30524,bmse010243,1
69,covalent,SING,C14,H67,,,,,30524,bmse010243,1
70,covalent,SING,C15,H68,,,,,30524,bmse010243,1
71,covalent,SING,C16,H69,,,,,30524,bmse010243,1
72,covalent,SING,C17,H70,,,,,30524,bmse010243,1
73,covalent,SING,C18,H71,,,,,30524,bmse010243,1
74,covalent,SING,C19,H72,,,,,30524,bmse010243,1
75,covalent,SING,C19,H73,,,,,30524,bmse010243,1
76,covalent,SING,C30,H74,,,,,30524,bmse010243,1
77,covalent,SING,C32,H75,,,,,30524,bmse010243,1
1,covalent,SING,C1,C20,,,,,30544,bmse010244,1
2,covalent,SING,C2,C21,,,,,30544,bmse010244,1
3,covalent,SING,C3,C22,,,,,30544,bmse010244,1
4,covalent,SING,C4,O37,,,,,30544,bmse010244,1
5,covalent,SING,C5,O38,,,,,30544,bmse010244,1
6,covalent,DOUB,C6,C7,,,,,30544,bmse010244,1
7,covalent,SING,C6,C8,,,,,30544,bmse010244,1
8,covalent,SING,C7,C9,,,,,30544,bmse010244,1
9,covalent,DOUB,C8,C26,,,,,30544,bmse010244,1
10,covalent,DOUB,C9,C27,,,,,30544,bmse010244,1
11,covalent,SING,C10,C14,,,,,30544,bmse010244,1
12,covalent,DOUB,C10,C23,,,,,30544,bmse010244,1
13,covalent,DOUB,C11,C15,,,,,30544,bmse010244,1
14,covalent,SING,C11,C23,,,,,30544,bmse010244,1
15,covalent,DOUB,C12,C17,,,,,30544,bmse010244,1
16,covalent,SING,C12,C23,,,,,30544,bmse010244,1
17,covalent,DOUB,C13,C16,,,,,30544,bmse010244,1
18,covalent,SING,C13,C24,,,,,30544,bmse010244,1
19,covalent,DOUB,C14,C25,,,,,30544,bmse010244,1
20,covalent,SING,C15,C25,,,,,30544,bmse010244,1
21,covalent,SING,C16,C28,,,,,30544,bmse010244,1
22,covalent,SING,C17,C31,,,,,30544,bmse010244,1
23,covalent,DOUB,C18,C24,,,,,30544,bmse010244,1
24,covalent,SING,C18,C29,,,,,30544,bmse010244,1
25,covalent,SING,C19,C30,,,,,30544,bmse010244,1
26,covalent,SING,C19,O39,,,,,30544,bmse010244,1
27,covalent,DOUB,C20,O33,,,,,30544,bmse010244,1
28,covalent,SING,C20,O40,,,,,30544,bmse010244,1
29,covalent,DOUB,C21,O34,,,,,30544,bmse010244,1
30,covalent,SING,C21,O41,,,,,30544,bmse010244,1
31,covalent,DOUB,C22,O35,,,,,30544,bmse010244,1
32,covalent,SING,C22,O42,,,,,30544,bmse010244,1
33,covalent,SING,C24,C32,,,,,30544,bmse010244,1
34,covalent,SING,C25,O40,,,,,30544,bmse010244,1
35,covalent,SING,C26,C27,,,,,30544,bmse010244,1
36,covalent,SING,C26,O37,,,,,30544,bmse010244,1
37,covalent,SING,C27,O43,,,,,30544,bmse010244,1
38,covalent,DOUB,C28,C29,,,,,30544,bmse010244,1
39,covalent,SING,C28,O41,,,,,30544,bmse010244,1
40,covalent,SING,C29,O38,,,,,30544,bmse010244,1
41,covalent,SING,C30,C32,,,,,30544,bmse010244,1
42,covalent,SING,C30,O43,,,,,30544,bmse010244,1
43,covalent,DOUB,C31,O36,,,,,30544,bmse010244,1
44,covalent,SING,C31,O39,,,,,30544,bmse010244,1
45,covalent,SING,C32,O42,,,,,30544,bmse010244,1
46,covalent,SING,C1,H45,,,,,30544,bmse010244,1
47,covalent,SING,C1,H46,,,,,30544,bmse010244,1
48,covalent,SING,C1,H44,,,,,30544,bmse010244,1
49,covalent,SING,C2,H48,,,,,30544,bmse010244,1
50,covalent,SING,C2,H49,,,,,30544,bmse010244,1
51,covalent,SING,C2,H47,,,,,30544,bmse010244,1
52,covalent,SING,C3,H51,,,,,30544,bmse010244,1
53,covalent,SING,C3,H50,,,,,30544,bmse010244,1
54,covalent,SING,C3,H52,,,,,30544,bmse010244,1
55,covalent,SING,C4,H54,,,,,30544,bmse010244,1
56,covalent,SING,C4,H53,,,,,30544,bmse010244,1
57,covalent,SING,C4,H55,,,,,30544,bmse010244,1
58,covalent,SING,C5,H58,,,,,30544,bmse010244,1
59,covalent,SING,C5,H57,,,,,30544,bmse010244,1
60,covalent,SING,C5,H56,,,,,30544,bmse010244,1
61,covalent,SING,C6,H59,,,,,30544,bmse010244,1
62,covalent,SING,C7,H60,,,,,30544,bmse010244,1
63,covalent,SING,C8,H61,,,,,30544,bmse010244,1
64,covalent,SING,C9,H62,,,,,30544,bmse010244,1
65,covalent,SING,C10,H63,,,,,30544,bmse010244,1
66,covalent,SING,C11,H64,,,,,30544,bmse010244,1
67,covalent,SING,C12,H65,,,,,30544,bmse010244,1
68,covalent,SING,C13,H66,,,,,30544,bmse010244,1
69,covalent,SING,C14,H67,,,,,30544,bmse010244,1
70,covalent,SING,C15,H68,,,,,30544,bmse010244,1
71,covalent,SING,C16,H69,,,,,30544,bmse010244,1
72,covalent,SING,C17,H70,,,,,30544,bmse010244,1
73,covalent,SING,C18,H71,,,,,30544,bmse010244,1
74,covalent,SING,C19,H72,,,,,30544,bmse010244,1
75,covalent,SING,C19,H73,,,,,30544,bmse010244,1
76,covalent,SING,C30,H74,,,,,30544,bmse010244,1
77,covalent,SING,C32,H75,,,,,30544,bmse010244,1
1,covalent,SING,C1,C20,,,,,30564,bmse010245,1
2,covalent,SING,C2,C21,,,,,30564,bmse010245,1
3,covalent,SING,C3,C22,,,,,30564,bmse010245,1
4,covalent,SING,C4,O38,,,,,30564,bmse010245,1
5,covalent,SING,C5,O39,,,,,30564,bmse010245,1
6,covalent,SING,C6,O40,,,,,30564,bmse010245,1
7,covalent,DOUB,C7,C8,,,,,30564,bmse010245,1
8,covalent,SING,C7,C9,,,,,30564,bmse010245,1
9,covalent,SING,C8,C10,,,,,30564,bmse010245,1
10,covalent,DOUB,C9,C25,,,,,30564,bmse010245,1
11,covalent,DOUB,C10,C26,,,,,30564,bmse010245,1
12,covalent,DOUB,C11,C14,,,,,30564,bmse010245,1
13,covalent,SING,C11,C23,,,,,30564,bmse010245,1
14,covalent,DOUB,C12,C16,,,,,30564,bmse010245,1
15,covalent,SING,C12,C23,,,,,30564,bmse010245,1
16,covalent,DOUB,C13,C15,,,,,30564,bmse010245,1
17,covalent,SING,C13,C24,,,,,30564,bmse010245,1
18,covalent,SING,C14,C27,,,,,30564,bmse010245,1
19,covalent,SING,C15,C28,,,,,30564,bmse010245,1
20,covalent,SING,C16,C32,,,,,30564,bmse010245,1
21,covalent,DOUB,C17,C23,,,,,30564,bmse010245,1
22,covalent,SING,C17,C29,,,,,30564,bmse010245,1
23,covalent,DOUB,C18,C24,,,,,30564,bmse010245,1
24,covalent,SING,C18,C30,,,,,30564,bmse010245,1
25,covalent,SING,C19,C31,,,,,30564,bmse010245,1
26,covalent,SING,C19,O41,,,,,30564,bmse010245,1
27,covalent,DOUB,C20,O34,,,,,30564,bmse010245,1
28,covalent,SING,C20,O41,,,,,30564,bmse010245,1
29,covalent,DOUB,C21,O35,,,,,30564,bmse010245,1
30,covalent,SING,C21,O42,,,,,30564,bmse010245,1
31,covalent,DOUB,C22,O36,,,,,30564,bmse010245,1
32,covalent,SING,C22,O43,,,,,30564,bmse010245,1
33,covalent,SING,C24,C33,,,,,30564,bmse010245,1
34,covalent,SING,C25,C26,,,,,30564,bmse010245,1
35,covalent,SING,C25,O38,,,,,30564,bmse010245,1
36,covalent,SING,C26,O44,,,,,30564,bmse010245,1
37,covalent,DOUB,C27,C29,,,,,30564,bmse010245,1
38,covalent,SING,C27,O42,,,,,30564,bmse010245,1
39,covalent,DOUB,C28,C30,,,,,30564,bmse010245,1
40,covalent,SING,C28,O45,,,,,30564,bmse010245,1
41,covalent,SING,C29,O39,,,,,30564,bmse010245,1
42,covalent,SING,C30,O40,,,,,30564,bmse010245,1
43,covalent,SING,C31,C33,,,,,30564,bmse010245,1
44,covalent,SING,C31,O44,,,,,30564,bmse010245,1
45,covalent,DOUB,C32,O37,,,,,30564,bmse010245,1
46,covalent,SING,C32,O45,,,,,30564,bmse010245,1
47,covalent,SING,C33,O43,,,,,30564,bmse010245,1
48,covalent,SING,C1,H46,,,,,30564,bmse010245,1
49,covalent,SING,C1,H47,,,,,30564,bmse010245,1
50,covalent,SING,C1,H48,,,,,30564,bmse010245,1
51,covalent,SING,C2,H49,,,,,30564,bmse010245,1
52,covalent,SING,C2,H50,,,,,30564,bmse010245,1
53,covalent,SING,C2,H51,,,,,30564,bmse010245,1
54,covalent,SING,C3,H52,,,,,30564,bmse010245,1
55,covalent,SING,C3,H53,,,,,30564,bmse010245,1
56,covalent,SING,C3,H54,,,,,30564,bmse010245,1
57,covalent,SING,C4,H55,,,,,30564,bmse010245,1
58,covalent,SING,C4,H56,,,,,30564,bmse010245,1
59,covalent,SING,C4,H57,,,,,30564,bmse010245,1
60,covalent,SING,C5,H58,,,,,30564,bmse010245,1
61,covalent,SING,C5,H59,,,,,30564,bmse010245,1
62,covalent,SING,C5,H60,,,,,30564,bmse010245,1
63,covalent,SING,C6,H61,,,,,30564,bmse010245,1
64,covalent,SING,C6,H62,,,,,30564,bmse010245,1
65,covalent,SING,C6,H63,,,,,30564,bmse010245,1
66,covalent,SING,C7,H64,,,,,30564,bmse010245,1
67,covalent,SING,C8,H65,,,,,30564,bmse010245,1
68,covalent,SING,C9,H66,,,,,30564,bmse010245,1
69,covalent,SING,C10,H67,,,,,30564,bmse010245,1
70,covalent,SING,C11,H68,,,,,30564,bmse010245,1
71,covalent,SING,C12,H69,,,,,30564,bmse010245,1
72,covalent,SING,C13,H70,,,,,30564,bmse010245,1
73,covalent,SING,C14,H71,,,,,30564,bmse010245,1
74,covalent,SING,C15,H72,,,,,30564,bmse010245,1
75,covalent,SING,C16,H73,,,,,30564,bmse010245,1
76,covalent,SING,C17,H74,,,,,30564,bmse010245,1
77,covalent,SING,C18,H75,,,,,30564,bmse010245,1
78,covalent,SING,C19,H76,,,,,30564,bmse010245,1
79,covalent,SING,C19,H77,,,,,30564,bmse010245,1
80,covalent,SING,C31,H78,,,,,30564,bmse010245,1
81,covalent,SING,C33,H79,,,,,30564,bmse010245,1
1,covalent,SING,C1,C20,,,,,30584,bmse010246,1
2,covalent,SING,C2,C21,,,,,30584,bmse010246,1
3,covalent,SING,C3,O35,,,,,30584,bmse010246,1
4,covalent,SING,C4,O36,,,,,30584,bmse010246,1
5,covalent,SING,C5,O37,,,,,30584,bmse010246,1
6,covalent,DOUB,C6,C7,,,,,30584,bmse010246,1
7,covalent,SING,C6,C8,,,,,30584,bmse010246,1
8,covalent,SING,C7,C9,,,,,30584,bmse010246,1
9,covalent,DOUB,C8,C25,,,,,30584,bmse010246,1
10,covalent,DOUB,C9,C26,,,,,30584,bmse010246,1
11,covalent,SING,C10,C14,,,,,30584,bmse010246,1
12,covalent,DOUB,C10,C22,,,,,30584,bmse010246,1
13,covalent,DOUB,C11,C15,,,,,30584,bmse010246,1
14,covalent,SING,C11,C22,,,,,30584,bmse010246,1
15,covalent,DOUB,C12,C17,,,,,30584,bmse010246,1
16,covalent,SING,C12,C22,,,,,30584,bmse010246,1
17,covalent,DOUB,C13,C16,,,,,30584,bmse010246,1
18,covalent,SING,C13,C23,,,,,30584,bmse010246,1
19,covalent,DOUB,C14,C24,,,,,30584,bmse010246,1
20,covalent,SING,C15,C24,,,,,30584,bmse010246,1
21,covalent,SING,C16,C27,,,,,30584,bmse010246,1
22,covalent,SING,C17,C30,,,,,30584,bmse010246,1
23,covalent,DOUB,C18,C23,,,,,30584,bmse010246,1
24,covalent,SING,C18,C28,,,,,30584,bmse010246,1
25,covalent,SING,C19,C29,,,,,30584,bmse010246,1
26,covalent,SING,C19,O38,,,,,30584,bmse010246,1
27,covalent,DOUB,C20,O32,,,,,30584,bmse010246,1
28,covalent,SING,C20,O38,,,,,30584,bmse010246,1
29,covalent,DOUB,C21,O33,,,,,30584,bmse010246,1
30,covalent,SING,C21,O39,,,,,30584,bmse010246,1
31,covalent,SING,C23,C31,,,,,30584,bmse010246,1
32,covalent,SING,C24,O40,,,,,30584,bmse010246,1
33,covalent,SING,C25,C26,,,,,30584,bmse010246,1
34,covalent,SING,C25,O35,,,,,30584,bmse010246,1
35,covalent,SING,C26,O41,,,,,30584,bmse010246,1
36,covalent,DOUB,C27,C28,,,,,30584,bmse010246,1
37,covalent,SING,C27,O39,,,,,30584,bmse010246,1
38,covalent,SING,C28,O36,,,,,30584,bmse010246,1
39,covalent,SING,C29,C31,,,,,30584,bmse010246,1
40,covalent,SING,C29,O41,,,,,30584,bmse010246,1
41,covalent,DOUB,C30,O34,,,,,30584,bmse010246,1
42,covalent,SING,C30,O37,,,,,30584,bmse010246,1
43,covalent,SING,C31,O40,,,,,30584,bmse010246,1
44,covalent,SING,C1,H43,,,,,30584,bmse010246,1
45,covalent,SING,C1,H44,,,,,30584,bmse010246,1
46,covalent,SING,C1,H42,,,,,30584,bmse010246,1
47,covalent,SING,C2,H46,,,,,30584,bmse010246,1
48,covalent,SING,C2,H47,,,,,30584,bmse010246,1
49,covalent,SING,C2,H45,,,,,30584,bmse010246,1
50,covalent,SING,C3,H49,,,,,30584,bmse010246,1
51,covalent,SING,C3,H50,,,,,30584,bmse010246,1
52,covalent,SING,C3,H48,,,,,30584,bmse010246,1
53,covalent,SING,C4,H53,,,,,30584,bmse010246,1
54,covalent,SING,C4,H52,,,,,30584,bmse010246,1
55,covalent,SING,C4,H51,,,,,30584,bmse010246,1
56,covalent,SING,C5,H55,,,,,30584,bmse010246,1
57,covalent,SING,C5,H56,,,,,30584,bmse010246,1
58,covalent,SING,C5,H54,,,,,30584,bmse010246,1
59,covalent,SING,C6,H57,,,,,30584,bmse010246,1
60,covalent,SING,C7,H58,,,,,30584,bmse010246,1
61,covalent,SING,C8,H59,,,,,30584,bmse010246,1
62,covalent,SING,C9,H60,,,,,30584,bmse010246,1
63,covalent,SING,C10,H61,,,,,30584,bmse010246,1
64,covalent,SING,C11,H62,,,,,30584,bmse010246,1
65,covalent,SING,C12,H63,,,,,30584,bmse010246,1
66,covalent,SING,C13,H64,,,,,30584,bmse010246,1
67,covalent,SING,C14,H65,,,,,30584,bmse010246,1
68,covalent,SING,C15,H66,,,,,30584,bmse010246,1
69,covalent,SING,C16,H67,,,,,30584,bmse010246,1
70,covalent,SING,C17,H68,,,,,30584,bmse010246,1
71,covalent,SING,C18,H69,,,,,30584,bmse010246,1
72,covalent,SING,C19,H70,,,,,30584,bmse010246,1
73,covalent,SING,C19,H71,,,,,30584,bmse010246,1
74,covalent,SING,C29,H72,,,,,30584,bmse010246,1
75,covalent,SING,C31,H73,,,,,30584,bmse010246,1
1,covalent,SING,C1,C20,,,,,30604,bmse010247,1
2,covalent,SING,C2,C21,,,,,30604,bmse010247,1
3,covalent,SING,C3,O35,,,,,30604,bmse010247,1
4,covalent,SING,C4,O36,,,,,30604,bmse010247,1
5,covalent,SING,C5,O37,,,,,30604,bmse010247,1
6,covalent,DOUB,C6,C7,,,,,30604,bmse010247,1
7,covalent,SING,C6,C8,,,,,30604,bmse010247,1
8,covalent,SING,C7,C9,,,,,30604,bmse010247,1
9,covalent,DOUB,C8,C25,,,,,30604,bmse010247,1
10,covalent,DOUB,C9,C26,,,,,30604,bmse010247,1
11,covalent,SING,C10,C14,,,,,30604,bmse010247,1
12,covalent,DOUB,C10,C22,,,,,30604,bmse010247,1
13,covalent,DOUB,C11,C15,,,,,30604,bmse010247,1
14,covalent,SING,C11,C22,,,,,30604,bmse010247,1
15,covalent,DOUB,C12,C17,,,,,30604,bmse010247,1
16,covalent,SING,C12,C22,,,,,30604,bmse010247,1
17,covalent,DOUB,C13,C16,,,,,30604,bmse010247,1
18,covalent,SING,C13,C23,,,,,30604,bmse010247,1
19,covalent,DOUB,C14,C24,,,,,30604,bmse010247,1
20,covalent,SING,C15,C24,,,,,30604,bmse010247,1
21,covalent,SING,C16,C27,,,,,30604,bmse010247,1
22,covalent,SING,C17,C30,,,,,30604,bmse010247,1
23,covalent,DOUB,C18,C23,,,,,30604,bmse010247,1
24,covalent,SING,C18,C28,,,,,30604,bmse010247,1
25,covalent,SING,C19,C29,,,,,30604,bmse010247,1
26,covalent,SING,C19,O38,,,,,30604,bmse010247,1
27,covalent,DOUB,C20,O32,,,,,30604,bmse010247,1
28,covalent,SING,C20,O38,,,,,30604,bmse010247,1
29,covalent,DOUB,C21,O33,,,,,30604,bmse010247,1
30,covalent,SING,C21,O39,,,,,30604,bmse010247,1
31,covalent,SING,C23,C31,,,,,30604,bmse010247,1
32,covalent,SING,C24,O40,,,,,30604,bmse010247,1
33,covalent,SING,C25,C26,,,,,30604,bmse010247,1
34,covalent,SING,C25,O35,,,,,30604,bmse010247,1
35,covalent,SING,C26,O41,,,,,30604,bmse010247,1
36,covalent,DOUB,C27,C28,,,,,30604,bmse010247,1
37,covalent,SING,C27,O39,,,,,30604,bmse010247,1
38,covalent,SING,C28,O36,,,,,30604,bmse010247,1
39,covalent,SING,C29,C31,,,,,30604,bmse010247,1
40,covalent,SING,C29,O41,,,,,30604,bmse010247,1
41,covalent,DOUB,C30,O34,,,,,30604,bmse010247,1
42,covalent,SING,C30,O37,,,,,30604,bmse010247,1
43,covalent,SING,C31,O40,,,,,30604,bmse010247,1
44,covalent,SING,C1,H43,,,,,30604,bmse010247,1
45,covalent,SING,C1,H44,,,,,30604,bmse010247,1
46,covalent,SING,C1,H42,,,,,30604,bmse010247,1
47,covalent,SING,C2,H46,,,,,30604,bmse010247,1
48,covalent,SING,C2,H47,,,,,30604,bmse010247,1
49,covalent,SING,C2,H45,,,,,30604,bmse010247,1
50,covalent,SING,C3,H49,,,,,30604,bmse010247,1
51,covalent,SING,C3,H50,,,,,30604,bmse010247,1
52,covalent,SING,C3,H48,,,,,30604,bmse010247,1
53,covalent,SING,C4,H53,,,,,30604,bmse010247,1
54,covalent,SING,C4,H52,,,,,30604,bmse010247,1
55,covalent,SING,C4,H51,,,,,30604,bmse010247,1
56,covalent,SING,C5,H55,,,,,30604,bmse010247,1
57,covalent,SING,C5,H56,,,,,30604,bmse010247,1
58,covalent,SING,C5,H54,,,,,30604,bmse010247,1
59,covalent,SING,C6,H57,,,,,30604,bmse010247,1
60,covalent,SING,C7,H58,,,,,30604,bmse010247,1
61,covalent,SING,C8,H59,,,,,30604,bmse010247,1
62,covalent,SING,C9,H60,,,,,30604,bmse010247,1
63,covalent,SING,C10,H61,,,,,30604,bmse010247,1
64,covalent,SING,C11,H62,,,,,30604,bmse010247,1
65,covalent,SING,C12,H63,,,,,30604,bmse010247,1
66,covalent,SING,C13,H64,,,,,30604,bmse010247,1
67,covalent,SING,C14,H65,,,,,30604,bmse010247,1
68,covalent,SING,C15,H66,,,,,30604,bmse010247,1
69,covalent,SING,C16,H67,,,,,30604,bmse010247,1
70,covalent,SING,C17,H68,,,,,30604,bmse010247,1
71,covalent,SING,C18,H69,,,,,30604,bmse010247,1
72,covalent,SING,C19,H70,,,,,30604,bmse010247,1
73,covalent,SING,C19,H71,,,,,30604,bmse010247,1
74,covalent,SING,C29,H72,,,,,30604,bmse010247,1
75,covalent,SING,C31,H73,,,,,30604,bmse010247,1
1,covalent,SING,C1,O13,,,,,30624,bmse010248,1
2,covalent,DOUB,C2,C3,,,,,30624,bmse010248,1
3,covalent,SING,C2,C6,,,,,30624,bmse010248,1
4,covalent,SING,C3,C8,,,,,30624,bmse010248,1
5,covalent,DOUB,C4,C5,,,,,30624,bmse010248,1
6,covalent,SING,C4,C8,,,,,30624,bmse010248,1
7,covalent,SING,C5,C9,,,,,30624,bmse010248,1
8,covalent,SING,C6,O11,,,,,30624,bmse010248,1
9,covalent,DOUB,C7,C8,,,,,30624,bmse010248,1
10,covalent,SING,C7,C10,,,,,30624,bmse010248,1
11,covalent,DOUB,C9,C10,,,,,30624,bmse010248,1
12,covalent,SING,C9,O12,,,,,30624,bmse010248,1
13,covalent,SING,C10,O13,,,,,30624,bmse010248,1
14,covalent,SING,C1,H15,,,,,30624,bmse010248,1
15,covalent,SING,C1,H16,,,,,30624,bmse010248,1
16,covalent,SING,C1,H14,,,,,30624,bmse010248,1
17,covalent,SING,C2,H17,,,,,30624,bmse010248,1
18,covalent,SING,C3,H18,,,,,30624,bmse010248,1
19,covalent,SING,C4,H19,,,,,30624,bmse010248,1
20,covalent,SING,C5,H20,,,,,30624,bmse010248,1
21,covalent,SING,C6,H21,,,,,30624,bmse010248,1
22,covalent,SING,C6,H22,,,,,30624,bmse010248,1
23,covalent,SING,C7,H23,,,,,30624,bmse010248,1
24,covalent,SING,O11,H24,,,,,30624,bmse010248,1
25,covalent,SING,O12,H25,,,,,30624,bmse010248,1
1,covalent,SING,C1,C11,,,,,30644,bmse010249,1
2,covalent,SING,C2,O25,,,,,30644,bmse010249,1
3,covalent,SING,C3,O26,,,,,30644,bmse010249,1
4,covalent,SING,C4,O27,,,,,30644,bmse010249,1
5,covalent,DOUB,C5,C6,,,,,30644,bmse010249,1
6,covalent,SING,C5,C12,,,,,30644,bmse010249,1
7,covalent,SING,C6,C14,,,,,30644,bmse010249,1
8,covalent,DOUB,C7,C12,,,,,30644,bmse010249,1
9,covalent,SING,C7,C15,,,,,30644,bmse010249,1
10,covalent,DOUB,C8,C13,,,,,30644,bmse010249,1
11,covalent,SING,C8,C16,,,,,30644,bmse010249,1
12,covalent,SING,C9,C13,,,,,30644,bmse010249,1
13,covalent,DOUB,C9,C17,,,,,30644,bmse010249,1
14,covalent,SING,C10,C18,,,,,30644,bmse010249,1
15,covalent,SING,C10,O21,,,,,30644,bmse010249,1
16,covalent,SING,C11,C12,,,,,30644,bmse010249,1
17,covalent,SING,C11,O22,,,,,30644,bmse010249,1
18,covalent,SING,C13,C19,,,,,30644,bmse010249,1
19,covalent,DOUB,C14,C15,,,,,30644,bmse010249,1
20,covalent,SING,C14,O28,,,,,30644,bmse010249,1
21,covalent,SING,C15,O25,,,,,30644,bmse010249,1
22,covalent,DOUB,C16,C20,,,,,30644,bmse010249,1
23,covalent,SING,C16,O26,,,,,30644,bmse010249,1
24,covalent,SING,C17,C20,,,,,30644,bmse010249,1
25,covalent,SING,C17,O27,,,,,30644,bmse010249,1
26,covalent,SING,C18,C19,,,,,30644,bmse010249,1
27,covalent,SING,C18,O28,,,,,30644,bmse010249,1
28,covalent,SING,C19,O23,,,,,30644,bmse010249,1
29,covalent,SING,C20,O24,,,,,30644,bmse010249,1
30,covalent,SING,C1,H29,,,,,30644,bmse010249,1
31,covalent,SING,C1,H31,,,,,30644,bmse010249,1
32,covalent,SING,C1,H30,,,,,30644,bmse010249,1
33,covalent,SING,C2,H33,,,,,30644,bmse010249,1
34,covalent,SING,C2,H32,,,,,30644,bmse010249,1
35,covalent,SING,C2,H34,,,,,30644,bmse010249,1
36,covalent,SING,C3,H37,,,,,30644,bmse010249,1
37,covalent,SING,C3,H36,,,,,30644,bmse010249,1
38,covalent,SING,C3,H35,,,,,30644,bmse010249,1
39,covalent,SING,C4,H38,,,,,30644,bmse010249,1
40,covalent,SING,C4,H39,,,,,30644,bmse010249,1
41,covalent,SING,C4,H40,,,,,30644,bmse010249,1
42,covalent,SING,C5,H41,,,,,30644,bmse010249,1
43,covalent,SING,C6,H42,,,,,30644,bmse010249,1
44,covalent,SING,C7,H43,,,,,30644,bmse010249,1
45,covalent,SING,C8,H44,,,,,30644,bmse010249,1
46,covalent,SING,C9,H45,,,,,30644,bmse010249,1
47,covalent,SING,C10,H46,,,,,30644,bmse010249,1
48,covalent,SING,C10,H47,,,,,30644,bmse010249,1
49,covalent,SING,C11,H48,,,,,30644,bmse010249,1
50,covalent,SING,C18,H49,,,,,30644,bmse010249,1
51,covalent,SING,C19,H50,,,,,30644,bmse010249,1
52,covalent,SING,O21,H51,,,,,30644,bmse010249,1
53,covalent,SING,O22,H52,,,,,30644,bmse010249,1
54,covalent,SING,O23,H53,,,,,30644,bmse010249,1
55,covalent,SING,O24,H54,,,,,30644,bmse010249,1
1,covalent,SING,C1,C11,,,,,30664,bmse010250,1
2,covalent,SING,C2,O26,,,,,30664,bmse010250,1
3,covalent,SING,C3,O27,,,,,30664,bmse010250,1
4,covalent,SING,C4,O28,,,,,30664,bmse010250,1
5,covalent,SING,C5,O29,,,,,30664,bmse010250,1
6,covalent,DOUB,C6,C12,,,,,30664,bmse010250,1
7,covalent,SING,C6,C16,,,,,30664,bmse010250,1
8,covalent,SING,C7,C12,,,,,30664,bmse010250,1
9,covalent,DOUB,C7,C17,,,,,30664,bmse010250,1
10,covalent,DOUB,C8,C13,,,,,30664,bmse010250,1
11,covalent,SING,C8,C14,,,,,30664,bmse010250,1
12,covalent,SING,C9,C13,,,,,30664,bmse010250,1
13,covalent,DOUB,C9,C15,,,,,30664,bmse010250,1
14,covalent,SING,C10,C18,,,,,30664,bmse010250,1
15,covalent,SING,C10,O22,,,,,30664,bmse010250,1
16,covalent,SING,C11,C12,,,,,30664,bmse010250,1
17,covalent,SING,C11,O23,,,,,30664,bmse010250,1
18,covalent,SING,C13,C19,,,,,30664,bmse010250,1
19,covalent,DOUB,C14,C20,,,,,30664,bmse010250,1
20,covalent,SING,C14,O26,,,,,30664,bmse010250,1
21,covalent,SING,C15,C20,,,,,30664,bmse010250,1
22,covalent,SING,C15,O27,,,,,30664,bmse010250,1
23,covalent,DOUB,C16,C21,,,,,30664,bmse010250,1
24,covalent,SING,C16,O28,,,,,30664,bmse010250,1
25,covalent,SING,C17,C21,,,,,30664,bmse010250,1
26,covalent,SING,C17,O29,,,,,30664,bmse010250,1
27,covalent,SING,C18,C19,,,,,30664,bmse010250,1
28,covalent,SING,C18,O30,,,,,30664,bmse010250,1
29,covalent,SING,C19,O24,,,,,30664,bmse010250,1
30,covalent,SING,C20,O25,,,,,30664,bmse010250,1
31,covalent,SING,C21,O30,,,,,30664,bmse010250,1
32,covalent,SING,C1,H33,,,,,30664,bmse010250,1
33,covalent,SING,C1,H31,,,,,30664,bmse010250,1
34,covalent,SING,C1,H32,,,,,30664,bmse010250,1
35,covalent,SING,C2,H34,,,,,30664,bmse010250,1
36,covalent,SING,C2,H36,,,,,30664,bmse010250,1
37,covalent,SING,C2,H35,,,,,30664,bmse010250,1
38,covalent,SING,C3,H37,,,,,30664,bmse010250,1
39,covalent,SING,C3,H38,,,,,30664,bmse010250,1
40,covalent,SING,C3,H39,,,,,30664,bmse010250,1
41,covalent,SING,C4,H40,,,,,30664,bmse010250,1
42,covalent,SING,C4,H42,,,,,30664,bmse010250,1
43,covalent,SING,C4,H41,,,,,30664,bmse010250,1
44,covalent,SING,C5,H44,,,,,30664,bmse010250,1
45,covalent,SING,C5,H43,,,,,30664,bmse010250,1
46,covalent,SING,C5,H45,,,,,30664,bmse010250,1
47,covalent,SING,C6,H46,,,,,30664,bmse010250,1
48,covalent,SING,C7,H47,,,,,30664,bmse010250,1
49,covalent,SING,C8,H48,,,,,30664,bmse010250,1
50,covalent,SING,C9,H49,,,,,30664,bmse010250,1
51,covalent,SING,C10,H50,,,,,30664,bmse010250,1
52,covalent,SING,C10,H51,,,,,30664,bmse010250,1
53,covalent,SING,C11,H52,,,,,30664,bmse010250,1
54,covalent,SING,C18,H53,,,,,30664,bmse010250,1
55,covalent,SING,C19,H54,,,,,30664,bmse010250,1
56,covalent,SING,O22,H55,,,,,30664,bmse010250,1
57,covalent,SING,O23,H56,,,,,30664,bmse010250,1
58,covalent,SING,O24,H57,,,,,30664,bmse010250,1
59,covalent,SING,O25,H58,,,,,30664,bmse010250,1
1,covalent,SING,C1,O22,,,,,30684,bmse010251,1
2,covalent,SING,C2,O23,,,,,30684,bmse010251,1
3,covalent,SING,C3,O24,,,,,30684,bmse010251,1
4,covalent,DOUB,C4,C5,,,,,30684,bmse010251,1
5,covalent,SING,C4,C6,,,,,30684,bmse010251,1
6,covalent,SING,C5,C7,,,,,30684,bmse010251,1
7,covalent,DOUB,C6,C12,,,,,30684,bmse010251,1
8,covalent,DOUB,C7,C13,,,,,30684,bmse010251,1
9,covalent,DOUB,C8,C11,,,,,30684,bmse010251,1
10,covalent,SING,C8,C14,,,,,30684,bmse010251,1
11,covalent,SING,C9,C11,,,,,30684,bmse010251,1
12,covalent,DOUB,C9,C15,,,,,30684,bmse010251,1
13,covalent,SING,C10,C16,,,,,30684,bmse010251,1
14,covalent,SING,C10,O19,,,,,30684,bmse010251,1
15,covalent,SING,C11,C17,,,,,30684,bmse010251,1
16,covalent,SING,C12,C13,,,,,30684,bmse010251,1
17,covalent,SING,C12,O22,,,,,30684,bmse010251,1
18,covalent,SING,C13,O25,,,,,30684,bmse010251,1
19,covalent,DOUB,C14,C18,,,,,30684,bmse010251,1
20,covalent,SING,C14,O23,,,,,30684,bmse010251,1
21,covalent,SING,C15,C18,,,,,30684,bmse010251,1
22,covalent,SING,C15,O24,,,,,30684,bmse010251,1
23,covalent,SING,C16,C17,,,,,30684,bmse010251,1
24,covalent,SING,C16,O25,,,,,30684,bmse010251,1
25,covalent,SING,C17,O20,,,,,30684,bmse010251,1
26,covalent,SING,C18,O21,,,,,30684,bmse010251,1
27,covalent,SING,C1,H27,,,,,30684,bmse010251,1
28,covalent,SING,C1,H26,,,,,30684,bmse010251,1
29,covalent,SING,C1,H28,,,,,30684,bmse010251,1
30,covalent,SING,C2,H29,,,,,30684,bmse010251,1
31,covalent,SING,C2,H31,,,,,30684,bmse010251,1
32,covalent,SING,C2,H30,,,,,30684,bmse010251,1
33,covalent,SING,C3,H32,,,,,30684,bmse010251,1
34,covalent,SING,C3,H33,,,,,30684,bmse010251,1
35,covalent,SING,C3,H34,,,,,30684,bmse010251,1
36,covalent,SING,C4,H35,,,,,30684,bmse010251,1
37,covalent,SING,C5,H36,,,,,30684,bmse010251,1
38,covalent,SING,C6,H37,,,,,30684,bmse010251,1
39,covalent,SING,C7,H38,,,,,30684,bmse010251,1
40,covalent,SING,C8,H39,,,,,30684,bmse010251,1
41,covalent,SING,C9,H40,,,,,30684,bmse010251,1
42,covalent,SING,C10,H41,,,,,30684,bmse010251,1
43,covalent,SING,C10,H42,,,,,30684,bmse010251,1
44,covalent,SING,C16,H43,,,,,30684,bmse010251,1
45,covalent,SING,C17,H44,,,,,30684,bmse010251,1
46,covalent,SING,O19,H45,,,,,30684,bmse010251,1
47,covalent,SING,O20,H46,,,,,30684,bmse010251,1
48,covalent,SING,O21,H47,,,,,30684,bmse010251,1
1,covalent,SING,C1,C11,,,,,30704,bmse010252,1
2,covalent,SING,C2,O24,,,,,30704,bmse010252,1
3,covalent,SING,C3,O25,,,,,30704,bmse010252,1
4,covalent,SING,C4,C6,,,,,30704,bmse010252,1
5,covalent,DOUB,C4,C12,,,,,30704,bmse010252,1
6,covalent,DOUB,C5,C7,,,,,30704,bmse010252,1
7,covalent,SING,C5,C12,,,,,30704,bmse010252,1
8,covalent,DOUB,C6,C14,,,,,30704,bmse010252,1
9,covalent,SING,C7,C14,,,,,30704,bmse010252,1
10,covalent,DOUB,C8,C13,,,,,30704,bmse010252,1
11,covalent,SING,C8,C15,,,,,30704,bmse010252,1
12,covalent,SING,C9,C13,,,,,30704,bmse010252,1
13,covalent,DOUB,C9,C16,,,,,30704,bmse010252,1
14,covalent,SING,C10,C17,,,,,30704,bmse010252,1
15,covalent,SING,C10,O20,,,,,30704,bmse010252,1
16,covalent,SING,C11,C12,,,,,30704,bmse010252,1
17,covalent,SING,C11,O21,,,,,30704,bmse010252,1
18,covalent,SING,C13,C18,,,,,30704,bmse010252,1
19,covalent,SING,C14,O26,,,,,30704,bmse010252,1
20,covalent,DOUB,C15,C19,,,,,30704,bmse010252,1
21,covalent,SING,C15,O24,,,,,30704,bmse010252,1
22,covalent,SING,C16,C19,,,,,30704,bmse010252,1
23,covalent,SING,C16,O25,,,,,30704,bmse010252,1
24,covalent,SING,C17,C18,,,,,30704,bmse010252,1
25,covalent,SING,C17,O26,,,,,30704,bmse010252,1
26,covalent,SING,C18,O22,,,,,30704,bmse010252,1
27,covalent,SING,C19,O23,,,,,30704,bmse010252,1
28,covalent,SING,C1,H29,,,,,30704,bmse010252,1
29,covalent,SING,C1,H27,,,,,30704,bmse010252,1
30,covalent,SING,C1,H28,,,,,30704,bmse010252,1
31,covalent,SING,C2,H32,,,,,30704,bmse010252,1
32,covalent,SING,C2,H31,,,,,30704,bmse010252,1
33,covalent,SING,C2,H30,,,,,30704,bmse010252,1
34,covalent,SING,C3,H33,,,,,30704,bmse010252,1
35,covalent,SING,C3,H34,,,,,30704,bmse010252,1
36,covalent,SING,C3,H35,,,,,30704,bmse010252,1
37,covalent,SING,C4,H36,,,,,30704,bmse010252,1
38,covalent,SING,C5,H37,,,,,30704,bmse010252,1
39,covalent,SING,C6,H38,,,,,30704,bmse010252,1
40,covalent,SING,C7,H39,,,,,30704,bmse010252,1
41,covalent,SING,C8,H40,,,,,30704,bmse010252,1
42,covalent,SING,C9,H41,,,,,30704,bmse010252,1
43,covalent,SING,C10,H42,,,,,30704,bmse010252,1
44,covalent,SING,C10,H43,,,,,30704,bmse010252,1
45,covalent,SING,C11,H44,,,,,30704,bmse010252,1
46,covalent,SING,C17,H45,,,,,30704,bmse010252,1
47,covalent,SING,C18,H46,,,,,30704,bmse010252,1
48,covalent,SING,O20,H47,,,,,30704,bmse010252,1
49,covalent,SING,O21,H48,,,,,30704,bmse010252,1
50,covalent,SING,O22,H49,,,,,30704,bmse010252,1
51,covalent,SING,O23,H50,,,,,30704,bmse010252,1
1,covalent,SING,C1,C12,,,,,30724,bmse010253,1
2,covalent,SING,C2,O24,,,,,30724,bmse010253,1
3,covalent,SING,C3,O25,,,,,30724,bmse010253,1
4,covalent,SING,C4,O26,,,,,30724,bmse010253,1
5,covalent,DOUB,C5,C6,,,,,30724,bmse010253,1
6,covalent,SING,C5,C7,,,,,30724,bmse010253,1
7,covalent,SING,C6,C8,,,,,30724,bmse010253,1
8,covalent,DOUB,C7,C14,,,,,30724,bmse010253,1
9,covalent,DOUB,C8,C15,,,,,30724,bmse010253,1
10,covalent,DOUB,C9,C13,,,,,30724,bmse010253,1
11,covalent,SING,C9,C16,,,,,30724,bmse010253,1
12,covalent,SING,C10,C13,,,,,30724,bmse010253,1
13,covalent,DOUB,C10,C17,,,,,30724,bmse010253,1
14,covalent,SING,C11,C18,,,,,30724,bmse010253,1
15,covalent,SING,C11,O21,,,,,30724,bmse010253,1
16,covalent,DOUB,C12,O22,,,,,30724,bmse010253,1
17,covalent,SING,C12,O27,,,,,30724,bmse010253,1
18,covalent,SING,C13,C19,,,,,30724,bmse010253,1
19,covalent,SING,C14,C15,,,,,30724,bmse010253,1
20,covalent,SING,C14,O24,,,,,30724,bmse010253,1
21,covalent,SING,C15,O28,,,,,30724,bmse010253,1
22,covalent,DOUB,C16,C20,,,,,30724,bmse010253,1
23,covalent,SING,C16,O25,,,,,30724,bmse010253,1
24,covalent,SING,C17,C20,,,,,30724,bmse010253,1
25,covalent,SING,C17,O26,,,,,30724,bmse010253,1
26,covalent,SING,C18,C19,,,,,30724,bmse010253,1
27,covalent,SING,C18,O28,,,,,30724,bmse010253,1
28,covalent,DOUB,C19,O23,,,,,30724,bmse010253,1
29,covalent,SING,C20,O27,,,,,30724,bmse010253,1
30,covalent,SING,C1,H31,,,,,30724,bmse010253,1
31,covalent,SING,C1,H30,,,,,30724,bmse010253,1
32,covalent,SING,C1,H29,,,,,30724,bmse010253,1
33,covalent,SING,C2,H33,,,,,30724,bmse010253,1
34,covalent,SING,C2,H32,,,,,30724,bmse010253,1
35,covalent,SING,C2,H34,,,,,30724,bmse010253,1
36,covalent,SING,C3,H35,,,,,30724,bmse010253,1
37,covalent,SING,C3,H36,,,,,30724,bmse010253,1
38,covalent,SING,C3,H37,,,,,30724,bmse010253,1
39,covalent,SING,C4,H39,,,,,30724,bmse010253,1
40,covalent,SING,C4,H40,,,,,30724,bmse010253,1
41,covalent,SING,C4,H38,,,,,30724,bmse010253,1
42,covalent,SING,C5,H41,,,,,30724,bmse010253,1
43,covalent,SING,C6,H42,,,,,30724,bmse010253,1
44,covalent,SING,C7,H43,,,,,30724,bmse010253,1
45,covalent,SING,C8,H44,,,,,30724,bmse010253,1
46,covalent,SING,C9,H45,,,,,30724,bmse010253,1
47,covalent,SING,C10,H46,,,,,30724,bmse010253,1
48,covalent,SING,C11,H47,,,,,30724,bmse010253,1
49,covalent,SING,C11,H48,,,,,30724,bmse010253,1
50,covalent,SING,C18,H49,,,,,30724,bmse010253,1
51,covalent,SING,O21,H50,,,,,30724,bmse010253,1
1,covalent,DOUB,C1,C3,,,,,30744,bmse010254,1
2,covalent,SING,C1,C4,,,,,30744,bmse010254,1
3,covalent,DOUB,C2,C5,,,,,30744,bmse010254,1
4,covalent,SING,C2,C6,,,,,30744,bmse010254,1
5,covalent,SING,C3,C7,,,,,30744,bmse010254,1
6,covalent,DOUB,C4,C8,,,,,30744,bmse010254,1
7,covalent,SING,C5,C9,,,,,30744,bmse010254,1
8,covalent,DOUB,C6,C10,,,,,30744,bmse010254,1
9,covalent,DOUB,C7,C11,,,,,30744,bmse010254,1
10,covalent,SING,C8,C11,,,,,30744,bmse010254,1
11,covalent,DOUB,C9,C12,,,,,30744,bmse010254,1
12,covalent,SING,C10,C12,,,,,30744,bmse010254,1
13,covalent,SING,C11,C13,,,,,30744,bmse010254,1
14,covalent,SING,C12,O15,,,,,30744,bmse010254,1
15,covalent,DOUB,C13,O14,,,,,30744,bmse010254,1
16,covalent,SING,C13,O15,,,,,30744,bmse010254,1
17,covalent,SING,C1,H16,,,,,30744,bmse010254,1
18,covalent,SING,C2,H17,,,,,30744,bmse010254,1
19,covalent,SING,C3,H18,,,,,30744,bmse010254,1
20,covalent,SING,C4,H19,,,,,30744,bmse010254,1
21,covalent,SING,C5,H20,,,,,30744,bmse010254,1
22,covalent,SING,C6,H21,,,,,30744,bmse010254,1
23,covalent,SING,C7,H22,,,,,30744,bmse010254,1
24,covalent,SING,C8,H23,,,,,30744,bmse010254,1
25,covalent,SING,C9,H24,,,,,30744,bmse010254,1
26,covalent,SING,C10,H25,,,,,30744,bmse010254,1
1,covalent,SING,C7,C4,,,,,30764,bmse010255,1
2,covalent,DOUB,C7,C3,,,,,30764,bmse010255,1
3,covalent,SING,C3,C5,,,,,30764,bmse010255,1
4,covalent,DOUB,C5,C8,,,,,30764,bmse010255,1
5,covalent,SING,C8,C6,,,,,30764,bmse010255,1
6,covalent,DOUB,C6,C4,,,,,30764,bmse010255,1
7,covalent,SING,C7,C9,,,,,30764,bmse010255,1
8,covalent,SING,C2,C1,,,,,30764,bmse010255,1
9,covalent,DOUB,C9,O11,,,,,30764,bmse010255,1
10,covalent,SING,C9,O12,,,,,30764,bmse010255,1
11,covalent,SING,C2,O12,,,,,30764,bmse010255,1
12,covalent,SING,C8,O10,,,,,30764,bmse010255,1
13,covalent,SING,C3,H18,,,,,30764,bmse010255,1
14,covalent,SING,C5,H20,,,,,30764,bmse010255,1
15,covalent,SING,C6,H21,,,,,30764,bmse010255,1
16,covalent,SING,C4,H19,,,,,30764,bmse010255,1
17,covalent,SING,C2,H16,,,,,30764,bmse010255,1
18,covalent,SING,C2,H17,,,,,30764,bmse010255,1
19,covalent,SING,C1,H15,,,,,30764,bmse010255,1
20,covalent,SING,C1,H14,,,,,30764,bmse010255,1
21,covalent,SING,C1,H13,,,,,30764,bmse010255,1
22,covalent,SING,O10,H22,,,,,30764,bmse010255,1
1,covalent,SING,C9,C6,,,,,30784,bmse010256,1
2,covalent,DOUB,C9,C5,,,,,30784,bmse010256,1
3,covalent,SING,C5,C2,,,,,30784,bmse010256,1
4,covalent,DOUB,C2,C1,,,,,30784,bmse010256,1
5,covalent,SING,C1,C3,,,,,30784,bmse010256,1
6,covalent,DOUB,C3,C6,,,,,30784,bmse010256,1
7,covalent,DOUB,C7,C4,,,,,30784,bmse010256,1
8,covalent,SING,C4,C8,,,,,30784,bmse010256,1
9,covalent,SING,C9,C7,,,,,30784,bmse010256,1
10,covalent,SING,C8,O10,,,,,30784,bmse010256,1
11,covalent,SING,C5,H15,,,,,30784,bmse010256,1
12,covalent,SING,C2,H12,,,,,30784,bmse010256,1
13,covalent,SING,C6,H16,,,,,30784,bmse010256,1
14,covalent,SING,C7,H17,,,,,30784,bmse010256,1
15,covalent,SING,C4,H14,,,,,30784,bmse010256,1
16,covalent,SING,C8,H18,,,,,30784,bmse010256,1
17,covalent,SING,C8,H19,,,,,30784,bmse010256,1
18,covalent,SING,O10,H20,,,,,30784,bmse010256,1
19,covalent,SING,C1,H11,,,,,30784,bmse010256,1
20,covalent,SING,C3,H13,,,,,30784,bmse010256,1
1,covalent,SING,C9,C6,,,,,30804,bmse010257,1
2,covalent,DOUB,C9,C5,,,,,30804,bmse010257,1
3,covalent,SING,C5,C2,,,,,30804,bmse010257,1
4,covalent,DOUB,C2,C1,,,,,30804,bmse010257,1
5,covalent,SING,C1,C3,,,,,30804,bmse010257,1
6,covalent,DOUB,C3,C6,,,,,30804,bmse010257,1
7,covalent,DOUB,C7,C4,,,,,30804,bmse010257,1
8,covalent,SING,C4,C8,,,,,30804,bmse010257,1
9,covalent,SING,C9,C7,,,,,30804,bmse010257,1
10,covalent,DOUB,C8,O10,,,,,30804,bmse010257,1
11,covalent,SING,C5,H15,,,,,30804,bmse010257,1
12,covalent,SING,C2,H12,,,,,30804,bmse010257,1
13,covalent,SING,C1,H11,,,,,30804,bmse010257,1
14,covalent,SING,C3,H13,,,,,30804,bmse010257,1
15,covalent,SING,C6,H16,,,,,30804,bmse010257,1
16,covalent,SING,C7,H17,,,,,30804,bmse010257,1
17,covalent,SING,C4,H14,,,,,30804,bmse010257,1
18,covalent,SING,C8,H18,,,,,30804,bmse010257,1
1,covalent,SING,C1,C15,,,,,30824,bmse010258,1
2,covalent,SING,C2,C16,,,,,30824,bmse010258,1
3,covalent,SING,C3,C17,,,,,30824,bmse010258,1
4,covalent,SING,C4,C18,,,,,30824,bmse010258,1
5,covalent,SING,C5,C19,,,,,30824,bmse010258,1
6,covalent,SING,C6,O33,,,,,30824,bmse010258,1
7,covalent,SING,C7,O34,,,,,30824,bmse010258,1
8,covalent,SING,C8,O35,,,,,30824,bmse010258,1
9,covalent,DOUB,C9,C10,,,,,30824,bmse010258,1
10,covalent,SING,C9,C20,,,,,30824,bmse010258,1
11,covalent,SING,C10,C22,,,,,30824,bmse010258,1
12,covalent,DOUB,C11,C20,,,,,30824,bmse010258,1
13,covalent,SING,C11,C23,,,,,30824,bmse010258,1
14,covalent,DOUB,C12,C21,,,,,30824,bmse010258,1
15,covalent,SING,C12,C24,,,,,30824,bmse010258,1
16,covalent,SING,C13,C21,,,,,30824,bmse010258,1
17,covalent,DOUB,C13,C25,,,,,30824,bmse010258,1
18,covalent,SING,C14,C26,,,,,30824,bmse010258,1
19,covalent,SING,C14,O36,,,,,30824,bmse010258,1
20,covalent,SING,C15,C20,,,,,30824,bmse010258,1
21,covalent,SING,C15,O37,,,,,30824,bmse010258,1
22,covalent,DOUB,C16,O29,,,,,30824,bmse010258,1
23,covalent,SING,C16,O36,,,,,30824,bmse010258,1
24,covalent,DOUB,C17,O30,,,,,30824,bmse010258,1
25,covalent,SING,C17,O37,,,,,30824,bmse010258,1
26,covalent,DOUB,C18,O31,,,,,30824,bmse010258,1
27,covalent,SING,C18,O38,,,,,30824,bmse010258,1
28,covalent,DOUB,C19,O32,,,,,30824,bmse010258,1
29,covalent,SING,C19,O39,,,,,30824,bmse010258,1
30,covalent,SING,C21,C27,,,,,30824,bmse010258,1
31,covalent,DOUB,C22,C23,,,,,30824,bmse010258,1
32,covalent,SING,C22,O40,,,,,30824,bmse010258,1
33,covalent,SING,C23,O33,,,,,30824,bmse010258,1
34,covalent,DOUB,C24,C28,,,,,30824,bmse010258,1
35,covalent,SING,C24,O34,,,,,30824,bmse010258,1
36,covalent,SING,C25,C28,,,,,30824,bmse010258,1
37,covalent,SING,C25,O35,,,,,30824,bmse010258,1
38,covalent,SING,C26,C27,,,,,30824,bmse010258,1
39,covalent,SING,C26,O40,,,,,30824,bmse010258,1
40,covalent,SING,C27,O38,,,,,30824,bmse010258,1
41,covalent,SING,C28,O39,,,,,30824,bmse010258,1
42,covalent,SING,C1,H42,,,,,30824,bmse010258,1
43,covalent,SING,C1,H43,,,,,30824,bmse010258,1
44,covalent,SING,C1,H41,,,,,30824,bmse010258,1
45,covalent,SING,C2,H46,,,,,30824,bmse010258,1
46,covalent,SING,C2,H44,,,,,30824,bmse010258,1
47,covalent,SING,C2,H45,,,,,30824,bmse010258,1
48,covalent,SING,C3,H48,,,,,30824,bmse010258,1
49,covalent,SING,C3,H49,,,,,30824,bmse010258,1
50,covalent,SING,C3,H47,,,,,30824,bmse010258,1
51,covalent,SING,C4,H52,,,,,30824,bmse010258,1
52,covalent,SING,C4,H51,,,,,30824,bmse010258,1
53,covalent,SING,C4,H50,,,,,30824,bmse010258,1
54,covalent,SING,C5,H53,,,,,30824,bmse010258,1
55,covalent,SING,C5,H55,,,,,30824,bmse010258,1
56,covalent,SING,C5,H54,,,,,30824,bmse010258,1
57,covalent,SING,C6,H57,,,,,30824,bmse010258,1
58,covalent,SING,C6,H56,,,,,30824,bmse010258,1
59,covalent,SING,C6,H58,,,,,30824,bmse010258,1
60,covalent,SING,C7,H61,,,,,30824,bmse010258,1
61,covalent,SING,C7,H60,,,,,30824,bmse010258,1
62,covalent,SING,C7,H59,,,,,30824,bmse010258,1
63,covalent,SING,C8,H64,,,,,30824,bmse010258,1
64,covalent,SING,C8,H63,,,,,30824,bmse010258,1
65,covalent,SING,C8,H62,,,,,30824,bmse010258,1
66,covalent,SING,C9,H65,,,,,30824,bmse010258,1
67,covalent,SING,C10,H66,,,,,30824,bmse010258,1
68,covalent,SING,C11,H67,,,,,30824,bmse010258,1
69,covalent,SING,C12,H68,,,,,30824,bmse010258,1
70,covalent,SING,C13,H69,,,,,30824,bmse010258,1
71,covalent,SING,C14,H70,,,,,30824,bmse010258,1
72,covalent,SING,C14,H71,,,,,30824,bmse010258,1
73,covalent,SING,C15,H72,,,,,30824,bmse010258,1
74,covalent,SING,C26,H73,,,,,30824,bmse010258,1
75,covalent,SING,C27,H74,,,,,30824,bmse010258,1
1,covalent,SING,C1,C15,,,,,30844,bmse010259,1
2,covalent,SING,C2,C16,,,,,30844,bmse010259,1
3,covalent,SING,C3,C17,,,,,30844,bmse010259,1
4,covalent,SING,C4,C18,,,,,30844,bmse010259,1
5,covalent,SING,C5,C19,,,,,30844,bmse010259,1
6,covalent,SING,C6,O34,,,,,30844,bmse010259,1
7,covalent,SING,C7,O35,,,,,30844,bmse010259,1
8,covalent,SING,C8,O36,,,,,30844,bmse010259,1
9,covalent,SING,C9,O37,,,,,30844,bmse010259,1
10,covalent,DOUB,C10,C20,,,,,30844,bmse010259,1
11,covalent,SING,C10,C22,,,,,30844,bmse010259,1
12,covalent,SING,C11,C20,,,,,30844,bmse010259,1
13,covalent,DOUB,C11,C23,,,,,30844,bmse010259,1
14,covalent,DOUB,C12,C21,,,,,30844,bmse010259,1
15,covalent,SING,C12,C24,,,,,30844,bmse010259,1
16,covalent,SING,C13,C21,,,,,30844,bmse010259,1
17,covalent,DOUB,C13,C25,,,,,30844,bmse010259,1
18,covalent,SING,C14,C26,,,,,30844,bmse010259,1
19,covalent,SING,C14,O38,,,,,30844,bmse010259,1
20,covalent,SING,C15,C20,,,,,30844,bmse010259,1
21,covalent,SING,C15,O39,,,,,30844,bmse010259,1
22,covalent,DOUB,C16,O30,,,,,30844,bmse010259,1
23,covalent,SING,C16,O38,,,,,30844,bmse010259,1
24,covalent,DOUB,C17,O31,,,,,30844,bmse010259,1
25,covalent,SING,C17,O39,,,,,30844,bmse010259,1
26,covalent,DOUB,C18,O32,,,,,30844,bmse010259,1
27,covalent,SING,C18,O40,,,,,30844,bmse010259,1
28,covalent,DOUB,C19,O33,,,,,30844,bmse010259,1
29,covalent,SING,C19,O41,,,,,30844,bmse010259,1
30,covalent,SING,C21,C27,,,,,30844,bmse010259,1
31,covalent,DOUB,C22,C29,,,,,30844,bmse010259,1
32,covalent,SING,C22,O34,,,,,30844,bmse010259,1
33,covalent,SING,C23,C29,,,,,30844,bmse010259,1
34,covalent,SING,C23,O35,,,,,30844,bmse010259,1
35,covalent,DOUB,C24,C28,,,,,30844,bmse010259,1
36,covalent,SING,C24,O36,,,,,30844,bmse010259,1
37,covalent,SING,C25,C28,,,,,30844,bmse010259,1
38,covalent,SING,C25,O37,,,,,30844,bmse010259,1
39,covalent,SING,C26,C27,,,,,30844,bmse010259,1
40,covalent,SING,C26,O42,,,,,30844,bmse010259,1
41,covalent,SING,C27,O40,,,,,30844,bmse010259,1
42,covalent,SING,C28,O41,,,,,30844,bmse010259,1
43,covalent,SING,C29,O42,,,,,30844,bmse010259,1
44,covalent,SING,C1,H44,,,,,30844,bmse010259,1
45,covalent,SING,C1,H43,,,,,30844,bmse010259,1
46,covalent,SING,C1,H45,,,,,30844,bmse010259,1
47,covalent,SING,C2,H46,,,,,30844,bmse010259,1
48,covalent,SING,C2,H47,,,,,30844,bmse010259,1
49,covalent,SING,C2,H48,,,,,30844,bmse010259,1
50,covalent,SING,C3,H50,,,,,30844,bmse010259,1
51,covalent,SING,C3,H49,,,,,30844,bmse010259,1
52,covalent,SING,C3,H51,,,,,30844,bmse010259,1
53,covalent,SING,C4,H54,,,,,30844,bmse010259,1
54,covalent,SING,C4,H53,,,,,30844,bmse010259,1
55,covalent,SING,C4,H52,,,,,30844,bmse010259,1
56,covalent,SING,C5,H56,,,,,30844,bmse010259,1
57,covalent,SING,C5,H55,,,,,30844,bmse010259,1
58,covalent,SING,C5,H57,,,,,30844,bmse010259,1
59,covalent,SING,C6,H58,,,,,30844,bmse010259,1
60,covalent,SING,C6,H60,,,,,30844,bmse010259,1
61,covalent,SING,C6,H59,,,,,30844,bmse010259,1
62,covalent,SING,C7,H62,,,,,30844,bmse010259,1
63,covalent,SING,C7,H61,,,,,30844,bmse010259,1
64,covalent,SING,C7,H63,,,,,30844,bmse010259,1
65,covalent,SING,C8,H64,,,,,30844,bmse010259,1
66,covalent,SING,C8,H66,,,,,30844,bmse010259,1
67,covalent,SING,C8,H65,,,,,30844,bmse010259,1
68,covalent,SING,C9,H68,,,,,30844,bmse010259,1
69,covalent,SING,C9,H69,,,,,30844,bmse010259,1
70,covalent,SING,C9,H67,,,,,30844,bmse010259,1
71,covalent,SING,C10,H70,,,,,30844,bmse010259,1
72,covalent,SING,C11,H71,,,,,30844,bmse010259,1
73,covalent,SING,C12,H72,,,,,30844,bmse010259,1
74,covalent,SING,C13,H73,,,,,30844,bmse010259,1
75,covalent,SING,C14,H74,,,,,30844,bmse010259,1
76,covalent,SING,C14,H75,,,,,30844,bmse010259,1
77,covalent,SING,C15,H76,,,,,30844,bmse010259,1
78,covalent,SING,C26,H77,,,,,30844,bmse010259,1
79,covalent,SING,C27,H78,,,,,30844,bmse010259,1
1,covalent,SING,C1,C14,,,,,30864,bmse010260,1
2,covalent,SING,C2,C15,,,,,30864,bmse010260,1
3,covalent,SING,C3,C16,,,,,30864,bmse010260,1
4,covalent,SING,C4,O28,,,,,30864,bmse010260,1
5,covalent,SING,C5,O29,,,,,30864,bmse010260,1
6,covalent,SING,C6,O30,,,,,30864,bmse010260,1
7,covalent,DOUB,C7,C8,,,,,30864,bmse010260,1
8,covalent,SING,C7,C9,,,,,30864,bmse010260,1
9,covalent,SING,C8,C10,,,,,30864,bmse010260,1
10,covalent,DOUB,C9,C18,,,,,30864,bmse010260,1
11,covalent,DOUB,C10,C19,,,,,30864,bmse010260,1
12,covalent,DOUB,C11,C17,,,,,30864,bmse010260,1
13,covalent,SING,C11,C20,,,,,30864,bmse010260,1
14,covalent,SING,C12,C17,,,,,30864,bmse010260,1
15,covalent,DOUB,C12,C21,,,,,30864,bmse010260,1
16,covalent,SING,C13,C22,,,,,30864,bmse010260,1
17,covalent,SING,C13,O31,,,,,30864,bmse010260,1
18,covalent,DOUB,C14,O25,,,,,30864,bmse010260,1
19,covalent,SING,C14,O31,,,,,30864,bmse010260,1
20,covalent,DOUB,C15,O26,,,,,30864,bmse010260,1
21,covalent,SING,C15,O32,,,,,30864,bmse010260,1
22,covalent,DOUB,C16,O27,,,,,30864,bmse010260,1
23,covalent,SING,C16,O33,,,,,30864,bmse010260,1
24,covalent,SING,C17,C23,,,,,30864,bmse010260,1
25,covalent,SING,C18,C19,,,,,30864,bmse010260,1
26,covalent,SING,C18,O28,,,,,30864,bmse010260,1
27,covalent,SING,C19,O34,,,,,30864,bmse010260,1
28,covalent,DOUB,C20,C24,,,,,30864,bmse010260,1
29,covalent,SING,C20,O29,,,,,30864,bmse010260,1
30,covalent,SING,C21,C24,,,,,30864,bmse010260,1
31,covalent,SING,C21,O30,,,,,30864,bmse010260,1
32,covalent,SING,C22,C23,,,,,30864,bmse010260,1
33,covalent,SING,C22,O34,,,,,30864,bmse010260,1
34,covalent,SING,C23,O32,,,,,30864,bmse010260,1
35,covalent,SING,C24,O33,,,,,30864,bmse010260,1
36,covalent,SING,C1,H35,,,,,30864,bmse010260,1
37,covalent,SING,C1,H36,,,,,30864,bmse010260,1
38,covalent,SING,C1,H37,,,,,30864,bmse010260,1
39,covalent,SING,C2,H38,,,,,30864,bmse010260,1
40,covalent,SING,C2,H39,,,,,30864,bmse010260,1
41,covalent,SING,C2,H40,,,,,30864,bmse010260,1
42,covalent,SING,C3,H42,,,,,30864,bmse010260,1
43,covalent,SING,C3,H41,,,,,30864,bmse010260,1
44,covalent,SING,C3,H43,,,,,30864,bmse010260,1
45,covalent,SING,C4,H45,,,,,30864,bmse010260,1
46,covalent,SING,C4,H44,,,,,30864,bmse010260,1
47,covalent,SING,C4,H46,,,,,30864,bmse010260,1
48,covalent,SING,C5,H47,,,,,30864,bmse010260,1
49,covalent,SING,C5,H49,,,,,30864,bmse010260,1
50,covalent,SING,C5,H48,,,,,30864,bmse010260,1
51,covalent,SING,C6,H51,,,,,30864,bmse010260,1
52,covalent,SING,C6,H52,,,,,30864,bmse010260,1
53,covalent,SING,C6,H50,,,,,30864,bmse010260,1
54,covalent,SING,C7,H53,,,,,30864,bmse010260,1
55,covalent,SING,C8,H54,,,,,30864,bmse010260,1
56,covalent,SING,C9,H55,,,,,30864,bmse010260,1
57,covalent,SING,C10,H56,,,,,30864,bmse010260,1
58,covalent,SING,C11,H57,,,,,30864,bmse010260,1
59,covalent,SING,C12,H58,,,,,30864,bmse010260,1
60,covalent,SING,C13,H59,,,,,30864,bmse010260,1
61,covalent,SING,C13,H60,,,,,30864,bmse010260,1
62,covalent,SING,C22,H61,,,,,30864,bmse010260,1
63,covalent,SING,C23,H62,,,,,30864,bmse010260,1
1,covalent,SING,C1,C20,,,,,30884,bmse010261,1
2,covalent,SING,C2,C21,,,,,30884,bmse010261,1
3,covalent,SING,C3,C22,,,,,30884,bmse010261,1
4,covalent,SING,C4,O38,,,,,30884,bmse010261,1
5,covalent,SING,C5,O39,,,,,30884,bmse010261,1
6,covalent,SING,C6,O40,,,,,30884,bmse010261,1
7,covalent,DOUB,C7,C8,,,,,30884,bmse010261,1
8,covalent,SING,C7,C9,,,,,30884,bmse010261,1
9,covalent,SING,C8,C10,,,,,30884,bmse010261,1
10,covalent,DOUB,C9,C25,,,,,30884,bmse010261,1
11,covalent,DOUB,C10,C26,,,,,30884,bmse010261,1
12,covalent,DOUB,C11,C14,,,,,30884,bmse010261,1
13,covalent,SING,C11,C23,,,,,30884,bmse010261,1
14,covalent,DOUB,C12,C16,,,,,30884,bmse010261,1
15,covalent,SING,C12,C23,,,,,30884,bmse010261,1
16,covalent,DOUB,C13,C15,,,,,30884,bmse010261,1
17,covalent,SING,C13,C24,,,,,30884,bmse010261,1
18,covalent,SING,C14,C27,,,,,30884,bmse010261,1
19,covalent,SING,C15,C28,,,,,30884,bmse010261,1
20,covalent,SING,C16,C32,,,,,30884,bmse010261,1
21,covalent,DOUB,C17,C23,,,,,30884,bmse010261,1
22,covalent,SING,C17,C29,,,,,30884,bmse010261,1
23,covalent,DOUB,C18,C24,,,,,30884,bmse010261,1
24,covalent,SING,C18,C30,,,,,30884,bmse010261,1
25,covalent,SING,C19,C31,,,,,30884,bmse010261,1
26,covalent,SING,C19,O41,,,,,30884,bmse010261,1
27,covalent,DOUB,C20,O34,,,,,30884,bmse010261,1
28,covalent,SING,C20,O41,,,,,30884,bmse010261,1
29,covalent,DOUB,C21,O35,,,,,30884,bmse010261,1
30,covalent,SING,C21,O42,,,,,30884,bmse010261,1
31,covalent,DOUB,C22,O36,,,,,30884,bmse010261,1
32,covalent,SING,C22,O43,,,,,30884,bmse010261,1
33,covalent,SING,C24,C33,,,,,30884,bmse010261,1
34,covalent,SING,C25,C26,,,,,30884,bmse010261,1
35,covalent,SING,C25,O38,,,,,30884,bmse010261,1
36,covalent,SING,C26,O44,,,,,30884,bmse010261,1
37,covalent,DOUB,C27,C29,,,,,30884,bmse010261,1
38,covalent,SING,C27,O42,,,,,30884,bmse010261,1
39,covalent,DOUB,C28,C30,,,,,30884,bmse010261,1
40,covalent,SING,C28,O43,,,,,30884,bmse010261,1
41,covalent,SING,C29,O39,,,,,30884,bmse010261,1
42,covalent,SING,C30,O40,,,,,30884,bmse010261,1
43,covalent,SING,C31,C33,,,,,30884,bmse010261,1
44,covalent,SING,C31,O44,,,,,30884,bmse010261,1
45,covalent,DOUB,C32,O37,,,,,30884,bmse010261,1
46,covalent,SING,C32,O45,,,,,30884,bmse010261,1
47,covalent,SING,C33,O45,,,,,30884,bmse010261,1
48,covalent,SING,C1,H46,,,,,30884,bmse010261,1
49,covalent,SING,C1,H47,,,,,30884,bmse010261,1
50,covalent,SING,C1,H48,,,,,30884,bmse010261,1
51,covalent,SING,C2,H49,,,,,30884,bmse010261,1
52,covalent,SING,C2,H51,,,,,30884,bmse010261,1
53,covalent,SING,C2,H50,,,,,30884,bmse010261,1
54,covalent,SING,C3,H53,,,,,30884,bmse010261,1
55,covalent,SING,C3,H54,,,,,30884,bmse010261,1
56,covalent,SING,C3,H52,,,,,30884,bmse010261,1
57,covalent,SING,C4,H56,,,,,30884,bmse010261,1
58,covalent,SING,C4,H55,,,,,30884,bmse010261,1
59,covalent,SING,C4,H57,,,,,30884,bmse010261,1
60,covalent,SING,C5,H60,,,,,30884,bmse010261,1
61,covalent,SING,C5,H58,,,,,30884,bmse010261,1
62,covalent,SING,C5,H59,,,,,30884,bmse010261,1
63,covalent,SING,C6,H61,,,,,30884,bmse010261,1
64,covalent,SING,C6,H62,,,,,30884,bmse010261,1
65,covalent,SING,C6,H63,,,,,30884,bmse010261,1
66,covalent,SING,C7,H64,,,,,30884,bmse010261,1
67,covalent,SING,C8,H65,,,,,30884,bmse010261,1
68,covalent,SING,C9,H66,,,,,30884,bmse010261,1
69,covalent,SING,C10,H67,,,,,30884,bmse010261,1
70,covalent,SING,C11,H68,,,,,30884,bmse010261,1
71,covalent,SING,C12,H69,,,,,30884,bmse010261,1
72,covalent,SING,C13,H70,,,,,30884,bmse010261,1
73,covalent,SING,C14,H71,,,,,30884,bmse010261,1
74,covalent,SING,C15,H72,,,,,30884,bmse010261,1
75,covalent,SING,C16,H73,,,,,30884,bmse010261,1
76,covalent,SING,C17,H74,,,,,30884,bmse010261,1
77,covalent,SING,C18,H75,,,,,30884,bmse010261,1
78,covalent,SING,C19,H76,,,,,30884,bmse010261,1
79,covalent,SING,C19,H77,,,,,30884,bmse010261,1
80,covalent,SING,C31,H78,,,,,30884,bmse010261,1
81,covalent,SING,C33,H79,,,,,30884,bmse010261,1
1,covalent,SING,C1,C20,,,,,30898,bmse010262,1
2,covalent,SING,C2,C21,,,,,30898,bmse010262,1
3,covalent,SING,C3,C22,,,,,30898,bmse010262,1
4,covalent,SING,C4,O38,,,,,30898,bmse010262,1
5,covalent,SING,C5,O39,,,,,30898,bmse010262,1
6,covalent,SING,C6,O40,,,,,30898,bmse010262,1
7,covalent,DOUB,C7,C8,,,,,30898,bmse010262,1
8,covalent,SING,C7,C9,,,,,30898,bmse010262,1
9,covalent,SING,C8,C10,,,,,30898,bmse010262,1
10,covalent,DOUB,C9,C25,,,,,30898,bmse010262,1
11,covalent,DOUB,C10,C26,,,,,30898,bmse010262,1
12,covalent,DOUB,C11,C14,,,,,30898,bmse010262,1
13,covalent,SING,C11,C23,,,,,30898,bmse010262,1
14,covalent,DOUB,C12,C16,,,,,30898,bmse010262,1
15,covalent,SING,C12,C23,,,,,30898,bmse010262,1
16,covalent,DOUB,C13,C15,,,,,30898,bmse010262,1
17,covalent,SING,C13,C24,,,,,30898,bmse010262,1
18,covalent,SING,C14,C27,,,,,30898,bmse010262,1
19,covalent,SING,C15,C28,,,,,30898,bmse010262,1
20,covalent,SING,C16,C32,,,,,30898,bmse010262,1
21,covalent,DOUB,C17,C23,,,,,30898,bmse010262,1
22,covalent,SING,C17,C29,,,,,30898,bmse010262,1
23,covalent,DOUB,C18,C24,,,,,30898,bmse010262,1
24,covalent,SING,C18,C30,,,,,30898,bmse010262,1
25,covalent,SING,C19,C31,,,,,30898,bmse010262,1
26,covalent,SING,C19,O41,,,,,30898,bmse010262,1
27,covalent,DOUB,C20,O34,,,,,30898,bmse010262,1
28,covalent,SING,C20,O41,,,,,30898,bmse010262,1
29,covalent,DOUB,C21,O35,,,,,30898,bmse010262,1
30,covalent,SING,C21,O42,,,,,30898,bmse010262,1
31,covalent,DOUB,C22,O36,,,,,30898,bmse010262,1
32,covalent,SING,C22,O43,,,,,30898,bmse010262,1
33,covalent,SING,C24,C33,,,,,30898,bmse010262,1
34,covalent,SING,C25,C26,,,,,30898,bmse010262,1
35,covalent,SING,C25,O38,,,,,30898,bmse010262,1
36,covalent,SING,C26,O44,,,,,30898,bmse010262,1
37,covalent,DOUB,C27,C29,,,,,30898,bmse010262,1
38,covalent,SING,C27,O42,,,,,30898,bmse010262,1
39,covalent,DOUB,C28,C30,,,,,30898,bmse010262,1
40,covalent,SING,C28,O43,,,,,30898,bmse010262,1
41,covalent,SING,C29,O39,,,,,30898,bmse010262,1
42,covalent,SING,C30,O40,,,,,30898,bmse010262,1
43,covalent,SING,C31,C33,,,,,30898,bmse010262,1
44,covalent,SING,C31,O44,,,,,30898,bmse010262,1
45,covalent,DOUB,C32,O37,,,,,30898,bmse010262,1
46,covalent,SING,C32,O45,,,,,30898,bmse010262,1
47,covalent,SING,C33,O45,,,,,30898,bmse010262,1
48,covalent,SING,C1,H46,,,,,30898,bmse010262,1
49,covalent,SING,C1,H47,,,,,30898,bmse010262,1
50,covalent,SING,C1,H48,,,,,30898,bmse010262,1
51,covalent,SING,C2,H49,,,,,30898,bmse010262,1
52,covalent,SING,C2,H51,,,,,30898,bmse010262,1
53,covalent,SING,C2,H50,,,,,30898,bmse010262,1
54,covalent,SING,C3,H53,,,,,30898,bmse010262,1
55,covalent,SING,C3,H54,,,,,30898,bmse010262,1
56,covalent,SING,C3,H52,,,,,30898,bmse010262,1
57,covalent,SING,C4,H56,,,,,30898,bmse010262,1
58,covalent,SING,C4,H55,,,,,30898,bmse010262,1
59,covalent,SING,C4,H57,,,,,30898,bmse010262,1
60,covalent,SING,C5,H60,,,,,30898,bmse010262,1
61,covalent,SING,C5,H58,,,,,30898,bmse010262,1
62,covalent,SING,C5,H59,,,,,30898,bmse010262,1
63,covalent,SING,C6,H61,,,,,30898,bmse010262,1
64,covalent,SING,C6,H62,,,,,30898,bmse010262,1
65,covalent,SING,C6,H63,,,,,30898,bmse010262,1
66,covalent,SING,C7,H64,,,,,30898,bmse010262,1
67,covalent,SING,C8,H65,,,,,30898,bmse010262,1
68,covalent,SING,C9,H66,,,,,30898,bmse010262,1
69,covalent,SING,C10,H67,,,,,30898,bmse010262,1
70,covalent,SING,C11,H68,,,,,30898,bmse010262,1
71,covalent,SING,C12,H69,,,,,30898,bmse010262,1
72,covalent,SING,C13,H70,,,,,30898,bmse010262,1
73,covalent,SING,C14,H71,,,,,30898,bmse010262,1
74,covalent,SING,C15,H72,,,,,30898,bmse010262,1
75,covalent,SING,C16,H73,,,,,30898,bmse010262,1
76,covalent,SING,C17,H74,,,,,30898,bmse010262,1
77,covalent,SING,C18,H75,,,,,30898,bmse010262,1
78,covalent,SING,C19,H76,,,,,30898,bmse010262,1
79,covalent,SING,C19,H77,,,,,30898,bmse010262,1
80,covalent,SING,C31,H78,,,,,30898,bmse010262,1
81,covalent,SING,C33,H79,,,,,30898,bmse010262,1
1,covalent,SING,C1,C19,,,,,30912,bmse010263,1
2,covalent,SING,C2,C20,,,,,30912,bmse010263,1
3,covalent,SING,C3,O35,,,,,30912,bmse010263,1
4,covalent,SING,C4,O36,,,,,30912,bmse010263,1
5,covalent,DOUB,C5,C6,,,,,30912,bmse010263,1
6,covalent,SING,C5,C7,,,,,30912,bmse010263,1
7,covalent,SING,C6,C8,,,,,30912,bmse010263,1
8,covalent,DOUB,C7,C24,,,,,30912,bmse010263,1
9,covalent,DOUB,C8,C25,,,,,30912,bmse010263,1
10,covalent,SING,C9,C13,,,,,30912,bmse010263,1
11,covalent,DOUB,C9,C21,,,,,30912,bmse010263,1
12,covalent,DOUB,C10,C14,,,,,30912,bmse010263,1
13,covalent,SING,C10,C21,,,,,30912,bmse010263,1
14,covalent,DOUB,C11,C16,,,,,30912,bmse010263,1
15,covalent,SING,C11,C21,,,,,30912,bmse010263,1
16,covalent,DOUB,C12,C15,,,,,30912,bmse010263,1
17,covalent,SING,C12,C22,,,,,30912,bmse010263,1
18,covalent,DOUB,C13,C23,,,,,30912,bmse010263,1
19,covalent,SING,C14,C23,,,,,30912,bmse010263,1
20,covalent,SING,C15,C26,,,,,30912,bmse010263,1
21,covalent,SING,C16,C29,,,,,30912,bmse010263,1
22,covalent,DOUB,C17,C22,,,,,30912,bmse010263,1
23,covalent,SING,C17,C27,,,,,30912,bmse010263,1
24,covalent,SING,C18,C28,,,,,30912,bmse010263,1
25,covalent,SING,C18,O37,,,,,30912,bmse010263,1
26,covalent,DOUB,C19,O31,,,,,30912,bmse010263,1
27,covalent,SING,C19,O38,,,,,30912,bmse010263,1
28,covalent,DOUB,C20,O32,,,,,30912,bmse010263,1
29,covalent,SING,C20,O39,,,,,30912,bmse010263,1
30,covalent,SING,C22,C30,,,,,30912,bmse010263,1
31,covalent,SING,C23,O38,,,,,30912,bmse010263,1
32,covalent,SING,C24,C25,,,,,30912,bmse010263,1
33,covalent,SING,C24,O35,,,,,30912,bmse010263,1
34,covalent,SING,C25,O40,,,,,30912,bmse010263,1
35,covalent,DOUB,C26,C27,,,,,30912,bmse010263,1
36,covalent,SING,C26,O39,,,,,30912,bmse010263,1
37,covalent,SING,C27,O36,,,,,30912,bmse010263,1
38,covalent,SING,C28,C30,,,,,30912,bmse010263,1
39,covalent,SING,C28,O40,,,,,30912,bmse010263,1
40,covalent,DOUB,C29,O33,,,,,30912,bmse010263,1
41,covalent,SING,C29,O37,,,,,30912,bmse010263,1
42,covalent,DOUB,C30,O34,,,,,30912,bmse010263,1
43,covalent,SING,C1,H42,,,,,30912,bmse010263,1
44,covalent,SING,C1,H43,,,,,30912,bmse010263,1
45,covalent,SING,C1,H41,,,,,30912,bmse010263,1
46,covalent,SING,C2,H45,,,,,30912,bmse010263,1
47,covalent,SING,C2,H44,,,,,30912,bmse010263,1
48,covalent,SING,C2,H46,,,,,30912,bmse010263,1
49,covalent,SING,C3,H48,,,,,30912,bmse010263,1
50,covalent,SING,C3,H47,,,,,30912,bmse010263,1
51,covalent,SING,C3,H49,,,,,30912,bmse010263,1
52,covalent,SING,C4,H50,,,,,30912,bmse010263,1
53,covalent,SING,C4,H52,,,,,30912,bmse010263,1
54,covalent,SING,C4,H51,,,,,30912,bmse010263,1
55,covalent,SING,C5,H53,,,,,30912,bmse010263,1
56,covalent,SING,C6,H54,,,,,30912,bmse010263,1
57,covalent,SING,C7,H55,,,,,30912,bmse010263,1
58,covalent,SING,C8,H56,,,,,30912,bmse010263,1
59,covalent,SING,C9,H57,,,,,30912,bmse010263,1
60,covalent,SING,C10,H58,,,,,30912,bmse010263,1
61,covalent,SING,C11,H59,,,,,30912,bmse010263,1
62,covalent,SING,C12,H60,,,,,30912,bmse010263,1
63,covalent,SING,C13,H61,,,,,30912,bmse010263,1
64,covalent,SING,C14,H62,,,,,30912,bmse010263,1
65,covalent,SING,C15,H63,,,,,30912,bmse010263,1
66,covalent,SING,C16,H64,,,,,30912,bmse010263,1
67,covalent,SING,C17,H65,,,,,30912,bmse010263,1
68,covalent,SING,C18,H66,,,,,30912,bmse010263,1
69,covalent,SING,C18,H67,,,,,30912,bmse010263,1
70,covalent,SING,C28,H68,,,,,30912,bmse010263,1
1,covalent,SING,C1,C19,,,,,30926,bmse010264,1
2,covalent,SING,C2,C20,,,,,30926,bmse010264,1
3,covalent,SING,C3,O36,,,,,30926,bmse010264,1
4,covalent,SING,C4,O37,,,,,30926,bmse010264,1
5,covalent,SING,C5,O38,,,,,30926,bmse010264,1
6,covalent,DOUB,C6,C7,,,,,30926,bmse010264,1
7,covalent,SING,C6,C8,,,,,30926,bmse010264,1
8,covalent,SING,C7,C9,,,,,30926,bmse010264,1
9,covalent,DOUB,C8,C23,,,,,30926,bmse010264,1
10,covalent,DOUB,C9,C24,,,,,30926,bmse010264,1
11,covalent,DOUB,C10,C13,,,,,30926,bmse010264,1
12,covalent,SING,C10,C21,,,,,30926,bmse010264,1
13,covalent,DOUB,C11,C15,,,,,30926,bmse010264,1
14,covalent,SING,C11,C21,,,,,30926,bmse010264,1
15,covalent,DOUB,C12,C14,,,,,30926,bmse010264,1
16,covalent,SING,C12,C22,,,,,30926,bmse010264,1
17,covalent,SING,C13,C25,,,,,30926,bmse010264,1
18,covalent,SING,C14,C26,,,,,30926,bmse010264,1
19,covalent,SING,C15,C30,,,,,30926,bmse010264,1
20,covalent,DOUB,C16,C21,,,,,30926,bmse010264,1
21,covalent,SING,C16,C27,,,,,30926,bmse010264,1
22,covalent,DOUB,C17,C22,,,,,30926,bmse010264,1
23,covalent,SING,C17,C28,,,,,30926,bmse010264,1
24,covalent,SING,C18,C29,,,,,30926,bmse010264,1
25,covalent,SING,C18,O39,,,,,30926,bmse010264,1
26,covalent,DOUB,C19,O32,,,,,30926,bmse010264,1
27,covalent,SING,C19,O40,,,,,30926,bmse010264,1
28,covalent,DOUB,C20,O33,,,,,30926,bmse010264,1
29,covalent,SING,C20,O41,,,,,30926,bmse010264,1
30,covalent,SING,C22,C31,,,,,30926,bmse010264,1
31,covalent,SING,C23,C24,,,,,30926,bmse010264,1
32,covalent,SING,C23,O36,,,,,30926,bmse010264,1
33,covalent,SING,C24,O42,,,,,30926,bmse010264,1
34,covalent,DOUB,C25,C27,,,,,30926,bmse010264,1
35,covalent,SING,C25,O40,,,,,30926,bmse010264,1
36,covalent,DOUB,C26,C28,,,,,30926,bmse010264,1
37,covalent,SING,C26,O41,,,,,30926,bmse010264,1
38,covalent,SING,C27,O37,,,,,30926,bmse010264,1
39,covalent,SING,C28,O38,,,,,30926,bmse010264,1
40,covalent,SING,C29,C31,,,,,30926,bmse010264,1
41,covalent,SING,C29,O42,,,,,30926,bmse010264,1
42,covalent,DOUB,C30,O34,,,,,30926,bmse010264,1
43,covalent,SING,C30,O39,,,,,30926,bmse010264,1
44,covalent,DOUB,C31,O35,,,,,30926,bmse010264,1
45,covalent,SING,C1,H43,,,,,30926,bmse010264,1
46,covalent,SING,C1,H44,,,,,30926,bmse010264,1
47,covalent,SING,C1,H45,,,,,30926,bmse010264,1
48,covalent,SING,C2,H47,,,,,30926,bmse010264,1
49,covalent,SING,C2,H46,,,,,30926,bmse010264,1
50,covalent,SING,C2,H48,,,,,30926,bmse010264,1
51,covalent,SING,C3,H50,,,,,30926,bmse010264,1
52,covalent,SING,C3,H49,,,,,30926,bmse010264,1
53,covalent,SING,C3,H51,,,,,30926,bmse010264,1
54,covalent,SING,C4,H54,,,,,30926,bmse010264,1
55,covalent,SING,C4,H53,,,,,30926,bmse010264,1
56,covalent,SING,C4,H52,,,,,30926,bmse010264,1
57,covalent,SING,C5,H55,,,,,30926,bmse010264,1
58,covalent,SING,C5,H57,,,,,30926,bmse010264,1
59,covalent,SING,C5,H56,,,,,30926,bmse010264,1
60,covalent,SING,C6,H58,,,,,30926,bmse010264,1
61,covalent,SING,C7,H59,,,,,30926,bmse010264,1
62,covalent,SING,C8,H60,,,,,30926,bmse010264,1
63,covalent,SING,C9,H61,,,,,30926,bmse010264,1
64,covalent,SING,C10,H62,,,,,30926,bmse010264,1
65,covalent,SING,C11,H63,,,,,30926,bmse010264,1
66,covalent,SING,C12,H64,,,,,30926,bmse010264,1
67,covalent,SING,C13,H65,,,,,30926,bmse010264,1
68,covalent,SING,C14,H66,,,,,30926,bmse010264,1
69,covalent,SING,C15,H67,,,,,30926,bmse010264,1
70,covalent,SING,C16,H68,,,,,30926,bmse010264,1
71,covalent,SING,C17,H69,,,,,30926,bmse010264,1
72,covalent,SING,C18,H70,,,,,30926,bmse010264,1
73,covalent,SING,C18,H71,,,,,30926,bmse010264,1
74,covalent,SING,C29,H72,,,,,30926,bmse010264,1
1,covalent,SING,C1,C19,,,,,30940,bmse010265,1
2,covalent,SING,C2,C20,,,,,30940,bmse010265,1
3,covalent,SING,C3,O35,,,,,30940,bmse010265,1
4,covalent,SING,C4,O36,,,,,30940,bmse010265,1
5,covalent,DOUB,C5,C6,,,,,30940,bmse010265,1
6,covalent,SING,C5,C7,,,,,30940,bmse010265,1
7,covalent,SING,C6,C8,,,,,30940,bmse010265,1
8,covalent,DOUB,C7,C24,,,,,30940,bmse010265,1
9,covalent,DOUB,C8,C25,,,,,30940,bmse010265,1
10,covalent,SING,C9,C13,,,,,30940,bmse010265,1
11,covalent,DOUB,C9,C21,,,,,30940,bmse010265,1
12,covalent,DOUB,C10,C14,,,,,30940,bmse010265,1
13,covalent,SING,C10,C21,,,,,30940,bmse010265,1
14,covalent,DOUB,C11,C16,,,,,30940,bmse010265,1
15,covalent,SING,C11,C21,,,,,30940,bmse010265,1
16,covalent,DOUB,C12,C15,,,,,30940,bmse010265,1
17,covalent,SING,C12,C22,,,,,30940,bmse010265,1
18,covalent,DOUB,C13,C23,,,,,30940,bmse010265,1
19,covalent,SING,C14,C23,,,,,30940,bmse010265,1
20,covalent,SING,C15,C26,,,,,30940,bmse010265,1
21,covalent,SING,C16,C29,,,,,30940,bmse010265,1
22,covalent,DOUB,C17,C22,,,,,30940,bmse010265,1
23,covalent,SING,C17,C27,,,,,30940,bmse010265,1
24,covalent,SING,C18,C28,,,,,30940,bmse010265,1
25,covalent,SING,C18,O37,,,,,30940,bmse010265,1
26,covalent,DOUB,C19,O31,,,,,30940,bmse010265,1
27,covalent,SING,C19,O38,,,,,30940,bmse010265,1
28,covalent,DOUB,C20,O32,,,,,30940,bmse010265,1
29,covalent,SING,C20,O39,,,,,30940,bmse010265,1
30,covalent,SING,C22,C30,,,,,30940,bmse010265,1
31,covalent,SING,C23,O38,,,,,30940,bmse010265,1
32,covalent,SING,C24,C25,,,,,30940,bmse010265,1
33,covalent,SING,C24,O35,,,,,30940,bmse010265,1
34,covalent,SING,C25,O40,,,,,30940,bmse010265,1
35,covalent,DOUB,C26,C27,,,,,30940,bmse010265,1
36,covalent,SING,C26,O39,,,,,30940,bmse010265,1
37,covalent,SING,C27,O36,,,,,30940,bmse010265,1
38,covalent,SING,C28,C30,,,,,30940,bmse010265,1
39,covalent,SING,C28,O40,,,,,30940,bmse010265,1
40,covalent,DOUB,C29,O33,,,,,30940,bmse010265,1
41,covalent,SING,C29,O37,,,,,30940,bmse010265,1
42,covalent,SING,C30,O34,,,,,30940,bmse010265,1
43,covalent,SING,C1,H42,,,,,30940,bmse010265,1
44,covalent,SING,C1,H43,,,,,30940,bmse010265,1
45,covalent,SING,C1,H41,,,,,30940,bmse010265,1
46,covalent,SING,C2,H45,,,,,30940,bmse010265,1
47,covalent,SING,C2,H46,,,,,30940,bmse010265,1
48,covalent,SING,C2,H44,,,,,30940,bmse010265,1
49,covalent,SING,C3,H48,,,,,30940,bmse010265,1
50,covalent,SING,C3,H47,,,,,30940,bmse010265,1
51,covalent,SING,C3,H49,,,,,30940,bmse010265,1
52,covalent,SING,C4,H52,,,,,30940,bmse010265,1
53,covalent,SING,C4,H51,,,,,30940,bmse010265,1
54,covalent,SING,C4,H50,,,,,30940,bmse010265,1
55,covalent,SING,C5,H53,,,,,30940,bmse010265,1
56,covalent,SING,C6,H54,,,,,30940,bmse010265,1
57,covalent,SING,C7,H55,,,,,30940,bmse010265,1
58,covalent,SING,C8,H56,,,,,30940,bmse010265,1
59,covalent,SING,C9,H57,,,,,30940,bmse010265,1
60,covalent,SING,C10,H58,,,,,30940,bmse010265,1
61,covalent,SING,C11,H59,,,,,30940,bmse010265,1
62,covalent,SING,C12,H60,,,,,30940,bmse010265,1
63,covalent,SING,C13,H61,,,,,30940,bmse010265,1
64,covalent,SING,C14,H62,,,,,30940,bmse010265,1
65,covalent,SING,C15,H63,,,,,30940,bmse010265,1
66,covalent,SING,C16,H64,,,,,30940,bmse010265,1
67,covalent,SING,C17,H65,,,,,30940,bmse010265,1
68,covalent,SING,C18,H66,,,,,30940,bmse010265,1
69,covalent,SING,C18,H67,,,,,30940,bmse010265,1
70,covalent,SING,C28,H68,,,,,30940,bmse010265,1
71,covalent,SING,C30,H69,,,,,30940,bmse010265,1
72,covalent,SING,O34,H70,,,,,30940,bmse010265,1
1,covalent,SING,C1,C19,,,,,30954,bmse010266,1
2,covalent,SING,C2,C20,,,,,30954,bmse010266,1
3,covalent,SING,C3,O35,,,,,30954,bmse010266,1
4,covalent,SING,C4,O36,,,,,30954,bmse010266,1
5,covalent,DOUB,C5,C6,,,,,30954,bmse010266,1
6,covalent,SING,C5,C7,,,,,30954,bmse010266,1
7,covalent,SING,C6,C8,,,,,30954,bmse010266,1
8,covalent,DOUB,C7,C24,,,,,30954,bmse010266,1
9,covalent,DOUB,C8,C25,,,,,30954,bmse010266,1
10,covalent,SING,C9,C13,,,,,30954,bmse010266,1
11,covalent,DOUB,C9,C21,,,,,30954,bmse010266,1
12,covalent,DOUB,C10,C14,,,,,30954,bmse010266,1
13,covalent,SING,C10,C21,,,,,30954,bmse010266,1
14,covalent,DOUB,C11,C16,,,,,30954,bmse010266,1
15,covalent,SING,C11,C21,,,,,30954,bmse010266,1
16,covalent,DOUB,C12,C15,,,,,30954,bmse010266,1
17,covalent,SING,C12,C22,,,,,30954,bmse010266,1
18,covalent,DOUB,C13,C23,,,,,30954,bmse010266,1
19,covalent,SING,C14,C23,,,,,30954,bmse010266,1
20,covalent,SING,C15,C26,,,,,30954,bmse010266,1
21,covalent,SING,C16,C29,,,,,30954,bmse010266,1
22,covalent,DOUB,C17,C22,,,,,30954,bmse010266,1
23,covalent,SING,C17,C27,,,,,30954,bmse010266,1
24,covalent,SING,C18,C28,,,,,30954,bmse010266,1
25,covalent,SING,C18,O37,,,,,30954,bmse010266,1
26,covalent,DOUB,C19,O31,,,,,30954,bmse010266,1
27,covalent,SING,C19,O38,,,,,30954,bmse010266,1
28,covalent,DOUB,C20,O32,,,,,30954,bmse010266,1
29,covalent,SING,C20,O39,,,,,30954,bmse010266,1
30,covalent,SING,C22,C30,,,,,30954,bmse010266,1
31,covalent,SING,C23,O38,,,,,30954,bmse010266,1
32,covalent,SING,C24,C25,,,,,30954,bmse010266,1
33,covalent,SING,C24,O35,,,,,30954,bmse010266,1
34,covalent,SING,C25,O40,,,,,30954,bmse010266,1
35,covalent,DOUB,C26,C27,,,,,30954,bmse010266,1
36,covalent,SING,C26,O39,,,,,30954,bmse010266,1
37,covalent,SING,C27,O36,,,,,30954,bmse010266,1
38,covalent,SING,C28,C30,,,,,30954,bmse010266,1
39,covalent,SING,C28,O40,,,,,30954,bmse010266,1
40,covalent,DOUB,C29,O33,,,,,30954,bmse010266,1
41,covalent,SING,C29,O37,,,,,30954,bmse010266,1
42,covalent,SING,C30,O34,,,,,30954,bmse010266,1
43,covalent,SING,C1,H42,,,,,30954,bmse010266,1
44,covalent,SING,C1,H43,,,,,30954,bmse010266,1
45,covalent,SING,C1,H41,,,,,30954,bmse010266,1
46,covalent,SING,C2,H45,,,,,30954,bmse010266,1
47,covalent,SING,C2,H46,,,,,30954,bmse010266,1
48,covalent,SING,C2,H44,,,,,30954,bmse010266,1
49,covalent,SING,C3,H48,,,,,30954,bmse010266,1
50,covalent,SING,C3,H47,,,,,30954,bmse010266,1
51,covalent,SING,C3,H49,,,,,30954,bmse010266,1
52,covalent,SING,C4,H52,,,,,30954,bmse010266,1
53,covalent,SING,C4,H51,,,,,30954,bmse010266,1
54,covalent,SING,C4,H50,,,,,30954,bmse010266,1
55,covalent,SING,C5,H53,,,,,30954,bmse010266,1
56,covalent,SING,C6,H54,,,,,30954,bmse010266,1
57,covalent,SING,C7,H55,,,,,30954,bmse010266,1
58,covalent,SING,C8,H56,,,,,30954,bmse010266,1
59,covalent,SING,C9,H57,,,,,30954,bmse010266,1
60,covalent,SING,C10,H58,,,,,30954,bmse010266,1
61,covalent,SING,C11,H59,,,,,30954,bmse010266,1
62,covalent,SING,C12,H60,,,,,30954,bmse010266,1
63,covalent,SING,C13,H61,,,,,30954,bmse010266,1
64,covalent,SING,C14,H62,,,,,30954,bmse010266,1
65,covalent,SING,C15,H63,,,,,30954,bmse010266,1
66,covalent,SING,C16,H64,,,,,30954,bmse010266,1
67,covalent,SING,C17,H65,,,,,30954,bmse010266,1
68,covalent,SING,C18,H66,,,,,30954,bmse010266,1
69,covalent,SING,C18,H67,,,,,30954,bmse010266,1
70,covalent,SING,C28,H68,,,,,30954,bmse010266,1
71,covalent,SING,C30,H69,,,,,30954,bmse010266,1
72,covalent,SING,O34,H70,,,,,30954,bmse010266,1
1,covalent,SING,C1,C19,,,,,30968,bmse010267,1
2,covalent,SING,C2,C20,,,,,30968,bmse010267,1
3,covalent,SING,C3,O36,,,,,30968,bmse010267,1
4,covalent,SING,C4,O37,,,,,30968,bmse010267,1
5,covalent,SING,C5,O38,,,,,30968,bmse010267,1
6,covalent,DOUB,C6,C7,,,,,30968,bmse010267,1
7,covalent,SING,C6,C8,,,,,30968,bmse010267,1
8,covalent,SING,C7,C9,,,,,30968,bmse010267,1
9,covalent,DOUB,C8,C23,,,,,30968,bmse010267,1
10,covalent,DOUB,C9,C24,,,,,30968,bmse010267,1
11,covalent,DOUB,C10,C13,,,,,30968,bmse010267,1
12,covalent,SING,C10,C21,,,,,30968,bmse010267,1
13,covalent,DOUB,C11,C15,,,,,30968,bmse010267,1
14,covalent,SING,C11,C21,,,,,30968,bmse010267,1
15,covalent,DOUB,C12,C14,,,,,30968,bmse010267,1
16,covalent,SING,C12,C22,,,,,30968,bmse010267,1
17,covalent,SING,C13,C25,,,,,30968,bmse010267,1
18,covalent,SING,C14,C26,,,,,30968,bmse010267,1
19,covalent,SING,C15,C30,,,,,30968,bmse010267,1
20,covalent,DOUB,C16,C21,,,,,30968,bmse010267,1
21,covalent,SING,C16,C27,,,,,30968,bmse010267,1
22,covalent,DOUB,C17,C22,,,,,30968,bmse010267,1
23,covalent,SING,C17,C28,,,,,30968,bmse010267,1
24,covalent,SING,C18,C29,,,,,30968,bmse010267,1
25,covalent,SING,C18,O39,,,,,30968,bmse010267,1
26,covalent,DOUB,C19,O32,,,,,30968,bmse010267,1
27,covalent,SING,C19,O40,,,,,30968,bmse010267,1
28,covalent,DOUB,C20,O33,,,,,30968,bmse010267,1
29,covalent,SING,C20,O41,,,,,30968,bmse010267,1
30,covalent,SING,C22,C31,,,,,30968,bmse010267,1
31,covalent,SING,C23,C24,,,,,30968,bmse010267,1
32,covalent,SING,C23,O36,,,,,30968,bmse010267,1
33,covalent,SING,C24,O42,,,,,30968,bmse010267,1
34,covalent,DOUB,C25,C27,,,,,30968,bmse010267,1
35,covalent,SING,C25,O40,,,,,30968,bmse010267,1
36,covalent,DOUB,C26,C28,,,,,30968,bmse010267,1
37,covalent,SING,C26,O41,,,,,30968,bmse010267,1
38,covalent,SING,C27,O37,,,,,30968,bmse010267,1
39,covalent,SING,C28,O38,,,,,30968,bmse010267,1
40,covalent,SING,C29,C31,,,,,30968,bmse010267,1
41,covalent,SING,C29,O42,,,,,30968,bmse010267,1
42,covalent,DOUB,C30,O34,,,,,30968,bmse010267,1
43,covalent,SING,C30,O39,,,,,30968,bmse010267,1
44,covalent,SING,C31,O35,,,,,30968,bmse010267,1
45,covalent,SING,C1,H43,,,,,30968,bmse010267,1
46,covalent,SING,C1,H44,,,,,30968,bmse010267,1
47,covalent,SING,C1,H45,,,,,30968,bmse010267,1
48,covalent,SING,C2,H47,,,,,30968,bmse010267,1
49,covalent,SING,C2,H48,,,,,30968,bmse010267,1
50,covalent,SING,C2,H46,,,,,30968,bmse010267,1
51,covalent,SING,C3,H50,,,,,30968,bmse010267,1
52,covalent,SING,C3,H49,,,,,30968,bmse010267,1
53,covalent,SING,C3,H51,,,,,30968,bmse010267,1
54,covalent,SING,C4,H54,,,,,30968,bmse010267,1
55,covalent,SING,C4,H53,,,,,30968,bmse010267,1
56,covalent,SING,C4,H52,,,,,30968,bmse010267,1
57,covalent,SING,C5,H57,,,,,30968,bmse010267,1
58,covalent,SING,C5,H56,,,,,30968,bmse010267,1
59,covalent,SING,C5,H55,,,,,30968,bmse010267,1
60,covalent,SING,C6,H58,,,,,30968,bmse010267,1
61,covalent,SING,C7,H59,,,,,30968,bmse010267,1
62,covalent,SING,C8,H60,,,,,30968,bmse010267,1
63,covalent,SING,C9,H61,,,,,30968,bmse010267,1
64,covalent,SING,C10,H62,,,,,30968,bmse010267,1
65,covalent,SING,C11,H63,,,,,30968,bmse010267,1
66,covalent,SING,C12,H64,,,,,30968,bmse010267,1
67,covalent,SING,C13,H65,,,,,30968,bmse010267,1
68,covalent,SING,C14,H66,,,,,30968,bmse010267,1
69,covalent,SING,C15,H67,,,,,30968,bmse010267,1
70,covalent,SING,C16,H68,,,,,30968,bmse010267,1
71,covalent,SING,C17,H69,,,,,30968,bmse010267,1
72,covalent,SING,C18,H70,,,,,30968,bmse010267,1
73,covalent,SING,C18,H71,,,,,30968,bmse010267,1
74,covalent,SING,C29,H72,,,,,30968,bmse010267,1
75,covalent,SING,C31,H73,,,,,30968,bmse010267,1
76,covalent,SING,O35,H74,,,,,30968,bmse010267,1
1,covalent,SING,C1,C19,,,,,30982,bmse010268,1
2,covalent,SING,C2,C20,,,,,30982,bmse010268,1
3,covalent,SING,C3,O36,,,,,30982,bmse010268,1
4,covalent,SING,C4,O37,,,,,30982,bmse010268,1
5,covalent,SING,C5,O38,,,,,30982,bmse010268,1
6,covalent,DOUB,C6,C7,,,,,30982,bmse010268,1
7,covalent,SING,C6,C8,,,,,30982,bmse010268,1
8,covalent,SING,C7,C9,,,,,30982,bmse010268,1
9,covalent,DOUB,C8,C23,,,,,30982,bmse010268,1
10,covalent,DOUB,C9,C24,,,,,30982,bmse010268,1
11,covalent,DOUB,C10,C13,,,,,30982,bmse010268,1
12,covalent,SING,C10,C21,,,,,30982,bmse010268,1
13,covalent,DOUB,C11,C15,,,,,30982,bmse010268,1
14,covalent,SING,C11,C21,,,,,30982,bmse010268,1
15,covalent,DOUB,C12,C14,,,,,30982,bmse010268,1
16,covalent,SING,C12,C22,,,,,30982,bmse010268,1
17,covalent,SING,C13,C25,,,,,30982,bmse010268,1
18,covalent,SING,C14,C26,,,,,30982,bmse010268,1
19,covalent,SING,C15,C30,,,,,30982,bmse010268,1
20,covalent,DOUB,C16,C21,,,,,30982,bmse010268,1
21,covalent,SING,C16,C27,,,,,30982,bmse010268,1
22,covalent,DOUB,C17,C22,,,,,30982,bmse010268,1
23,covalent,SING,C17,C28,,,,,30982,bmse010268,1
24,covalent,SING,C18,C29,,,,,30982,bmse010268,1
25,covalent,SING,C18,O39,,,,,30982,bmse010268,1
26,covalent,DOUB,C19,O32,,,,,30982,bmse010268,1
27,covalent,SING,C19,O40,,,,,30982,bmse010268,1
28,covalent,DOUB,C20,O33,,,,,30982,bmse010268,1
29,covalent,SING,C20,O41,,,,,30982,bmse010268,1
30,covalent,SING,C22,C31,,,,,30982,bmse010268,1
31,covalent,SING,C23,C24,,,,,30982,bmse010268,1
32,covalent,SING,C23,O36,,,,,30982,bmse010268,1
33,covalent,SING,C24,O42,,,,,30982,bmse010268,1
34,covalent,DOUB,C25,C27,,,,,30982,bmse010268,1
35,covalent,SING,C25,O40,,,,,30982,bmse010268,1
36,covalent,DOUB,C26,C28,,,,,30982,bmse010268,1
37,covalent,SING,C26,O41,,,,,30982,bmse010268,1
38,covalent,SING,C27,O37,,,,,30982,bmse010268,1
39,covalent,SING,C28,O38,,,,,30982,bmse010268,1
40,covalent,SING,C29,C31,,,,,30982,bmse010268,1
41,covalent,SING,C29,O42,,,,,30982,bmse010268,1
42,covalent,DOUB,C30,O34,,,,,30982,bmse010268,1
43,covalent,SING,C30,O39,,,,,30982,bmse010268,1
44,covalent,SING,C31,O35,,,,,30982,bmse010268,1
45,covalent,SING,C1,H43,,,,,30982,bmse010268,1
46,covalent,SING,C1,H44,,,,,30982,bmse010268,1
47,covalent,SING,C1,H45,,,,,30982,bmse010268,1
48,covalent,SING,C2,H47,,,,,30982,bmse010268,1
49,covalent,SING,C2,H48,,,,,30982,bmse010268,1
50,covalent,SING,C2,H46,,,,,30982,bmse010268,1
51,covalent,SING,C3,H50,,,,,30982,bmse010268,1
52,covalent,SING,C3,H49,,,,,30982,bmse010268,1
53,covalent,SING,C3,H51,,,,,30982,bmse010268,1
54,covalent,SING,C4,H54,,,,,30982,bmse010268,1
55,covalent,SING,C4,H53,,,,,30982,bmse010268,1
56,covalent,SING,C4,H52,,,,,30982,bmse010268,1
57,covalent,SING,C5,H57,,,,,30982,bmse010268,1
58,covalent,SING,C5,H56,,,,,30982,bmse010268,1
59,covalent,SING,C5,H55,,,,,30982,bmse010268,1
60,covalent,SING,C6,H58,,,,,30982,bmse010268,1
61,covalent,SING,C7,H59,,,,,30982,bmse010268,1
62,covalent,SING,C8,H60,,,,,30982,bmse010268,1
63,covalent,SING,C9,H61,,,,,30982,bmse010268,1
64,covalent,SING,C10,H62,,,,,30982,bmse010268,1
65,covalent,SING,C11,H63,,,,,30982,bmse010268,1
66,covalent,SING,C12,H64,,,,,30982,bmse010268,1
67,covalent,SING,C13,H65,,,,,30982,bmse010268,1
68,covalent,SING,C14,H66,,,,,30982,bmse010268,1
69,covalent,SING,C15,H67,,,,,30982,bmse010268,1
70,covalent,SING,C16,H68,,,,,30982,bmse010268,1
71,covalent,SING,C17,H69,,,,,30982,bmse010268,1
72,covalent,SING,C18,H70,,,,,30982,bmse010268,1
73,covalent,SING,C18,H71,,,,,30982,bmse010268,1
74,covalent,SING,C29,H72,,,,,30982,bmse010268,1
75,covalent,SING,C31,H73,,,,,30982,bmse010268,1
76,covalent,SING,O35,H74,,,,,30982,bmse010268,1
1,covalent,SING,C1,O31,,,,,30996,bmse010269,1
2,covalent,SING,C2,O32,,,,,30996,bmse010269,1
3,covalent,DOUB,C3,C4,,,,,30996,bmse010269,1
4,covalent,SING,C3,C5,,,,,30996,bmse010269,1
5,covalent,SING,C4,C6,,,,,30996,bmse010269,1
6,covalent,DOUB,C5,C21,,,,,30996,bmse010269,1
7,covalent,DOUB,C6,C22,,,,,30996,bmse010269,1
8,covalent,SING,C7,C11,,,,,30996,bmse010269,1
9,covalent,DOUB,C7,C17,,,,,30996,bmse010269,1
10,covalent,DOUB,C8,C12,,,,,30996,bmse010269,1
11,covalent,SING,C8,C17,,,,,30996,bmse010269,1
12,covalent,DOUB,C9,C14,,,,,30996,bmse010269,1
13,covalent,SING,C9,C17,,,,,30996,bmse010269,1
14,covalent,DOUB,C10,C13,,,,,30996,bmse010269,1
15,covalent,SING,C10,C18,,,,,30996,bmse010269,1
16,covalent,DOUB,C11,C19,,,,,30996,bmse010269,1
17,covalent,SING,C12,C19,,,,,30996,bmse010269,1
18,covalent,SING,C13,C20,,,,,30996,bmse010269,1
19,covalent,SING,C14,C25,,,,,30996,bmse010269,1
20,covalent,DOUB,C15,C18,,,,,30996,bmse010269,1
21,covalent,SING,C15,C23,,,,,30996,bmse010269,1
22,covalent,SING,C16,C24,,,,,30996,bmse010269,1
23,covalent,SING,C16,O33,,,,,30996,bmse010269,1
24,covalent,SING,C18,C26,,,,,30996,bmse010269,1
25,covalent,SING,C19,O27,,,,,30996,bmse010269,1
26,covalent,DOUB,C20,C23,,,,,30996,bmse010269,1
27,covalent,SING,C20,O28,,,,,30996,bmse010269,1
28,covalent,SING,C21,C22,,,,,30996,bmse010269,1
29,covalent,SING,C21,O31,,,,,30996,bmse010269,1
30,covalent,SING,C22,O34,,,,,30996,bmse010269,1
31,covalent,SING,C23,O32,,,,,30996,bmse010269,1
32,covalent,SING,C24,C26,,,,,30996,bmse010269,1
33,covalent,SING,C24,O34,,,,,30996,bmse010269,1
34,covalent,DOUB,C25,O29,,,,,30996,bmse010269,1
35,covalent,SING,C25,O33,,,,,30996,bmse010269,1
36,covalent,SING,C26,O30,,,,,30996,bmse010269,1
37,covalent,SING,C1,H36,,,,,30996,bmse010269,1
38,covalent,SING,C1,H35,,,,,30996,bmse010269,1
39,covalent,SING,C1,H37,,,,,30996,bmse010269,1
40,covalent,SING,C2,H40,,,,,30996,bmse010269,1
41,covalent,SING,C2,H39,,,,,30996,bmse010269,1
42,covalent,SING,C2,H38,,,,,30996,bmse010269,1
43,covalent,SING,C3,H41,,,,,30996,bmse010269,1
44,covalent,SING,C4,H42,,,,,30996,bmse010269,1
45,covalent,SING,C5,H43,,,,,30996,bmse010269,1
46,covalent,SING,C6,H44,,,,,30996,bmse010269,1
47,covalent,SING,C7,H45,,,,,30996,bmse010269,1
48,covalent,SING,C8,H46,,,,,30996,bmse010269,1
49,covalent,SING,C9,H47,,,,,30996,bmse010269,1
50,covalent,SING,C10,H48,,,,,30996,bmse010269,1
51,covalent,SING,C11,H49,,,,,30996,bmse010269,1
52,covalent,SING,C12,H50,,,,,30996,bmse010269,1
53,covalent,SING,C13,H51,,,,,30996,bmse010269,1
54,covalent,SING,C14,H52,,,,,30996,bmse010269,1
55,covalent,SING,C15,H53,,,,,30996,bmse010269,1
56,covalent,SING,C16,H54,,,,,30996,bmse010269,1
57,covalent,SING,C16,H55,,,,,30996,bmse010269,1
58,covalent,SING,C24,H56,,,,,30996,bmse010269,1
59,covalent,SING,C26,H57,,,,,30996,bmse010269,1
60,covalent,SING,O27,H58,,,,,30996,bmse010269,1
61,covalent,SING,O28,H59,,,,,30996,bmse010269,1
62,covalent,SING,O30,H60,,,,,30996,bmse010269,1
1,covalent,SING,C1,O31,,,,,31010,bmse010270,1
2,covalent,SING,C2,O32,,,,,31010,bmse010270,1
3,covalent,DOUB,C3,C4,,,,,31010,bmse010270,1
4,covalent,SING,C3,C5,,,,,31010,bmse010270,1
5,covalent,SING,C4,C6,,,,,31010,bmse010270,1
6,covalent,DOUB,C5,C21,,,,,31010,bmse010270,1
7,covalent,DOUB,C6,C22,,,,,31010,bmse010270,1
8,covalent,SING,C7,C11,,,,,31010,bmse010270,1
9,covalent,DOUB,C7,C17,,,,,31010,bmse010270,1
10,covalent,DOUB,C8,C12,,,,,31010,bmse010270,1
11,covalent,SING,C8,C17,,,,,31010,bmse010270,1
12,covalent,DOUB,C9,C14,,,,,31010,bmse010270,1
13,covalent,SING,C9,C17,,,,,31010,bmse010270,1
14,covalent,DOUB,C10,C13,,,,,31010,bmse010270,1
15,covalent,SING,C10,C18,,,,,31010,bmse010270,1
16,covalent,DOUB,C11,C19,,,,,31010,bmse010270,1
17,covalent,SING,C12,C19,,,,,31010,bmse010270,1
18,covalent,SING,C13,C20,,,,,31010,bmse010270,1
19,covalent,SING,C14,C25,,,,,31010,bmse010270,1
20,covalent,DOUB,C15,C18,,,,,31010,bmse010270,1
21,covalent,SING,C15,C23,,,,,31010,bmse010270,1
22,covalent,SING,C16,C24,,,,,31010,bmse010270,1
23,covalent,SING,C16,O33,,,,,31010,bmse010270,1
24,covalent,SING,C18,C26,,,,,31010,bmse010270,1
25,covalent,SING,C19,O27,,,,,31010,bmse010270,1
26,covalent,DOUB,C20,C23,,,,,31010,bmse010270,1
27,covalent,SING,C20,O28,,,,,31010,bmse010270,1
28,covalent,SING,C21,C22,,,,,31010,bmse010270,1
29,covalent,SING,C21,O31,,,,,31010,bmse010270,1
30,covalent,SING,C22,O34,,,,,31010,bmse010270,1
31,covalent,SING,C23,O32,,,,,31010,bmse010270,1
32,covalent,SING,C24,C26,,,,,31010,bmse010270,1
33,covalent,SING,C24,O34,,,,,31010,bmse010270,1
34,covalent,DOUB,C25,O29,,,,,31010,bmse010270,1
35,covalent,SING,C25,O33,,,,,31010,bmse010270,1
36,covalent,SING,C26,O30,,,,,31010,bmse010270,1
37,covalent,SING,C1,H36,,,,,31010,bmse010270,1
38,covalent,SING,C1,H35,,,,,31010,bmse010270,1
39,covalent,SING,C1,H37,,,,,31010,bmse010270,1
40,covalent,SING,C2,H40,,,,,31010,bmse010270,1
41,covalent,SING,C2,H39,,,,,31010,bmse010270,1
42,covalent,SING,C2,H38,,,,,31010,bmse010270,1
43,covalent,SING,C3,H41,,,,,31010,bmse010270,1
44,covalent,SING,C4,H42,,,,,31010,bmse010270,1
45,covalent,SING,C5,H43,,,,,31010,bmse010270,1
46,covalent,SING,C6,H44,,,,,31010,bmse010270,1
47,covalent,SING,C7,H45,,,,,31010,bmse010270,1
48,covalent,SING,C8,H46,,,,,31010,bmse010270,1
49,covalent,SING,C9,H47,,,,,31010,bmse010270,1
50,covalent,SING,C10,H48,,,,,31010,bmse010270,1
51,covalent,SING,C11,H49,,,,,31010,bmse010270,1
52,covalent,SING,C12,H50,,,,,31010,bmse010270,1
53,covalent,SING,C13,H51,,,,,31010,bmse010270,1
54,covalent,SING,C14,H52,,,,,31010,bmse010270,1
55,covalent,SING,C15,H53,,,,,31010,bmse010270,1
56,covalent,SING,C16,H54,,,,,31010,bmse010270,1
57,covalent,SING,C16,H55,,,,,31010,bmse010270,1
58,covalent,SING,C24,H56,,,,,31010,bmse010270,1
59,covalent,SING,C26,H57,,,,,31010,bmse010270,1
60,covalent,SING,O27,H58,,,,,31010,bmse010270,1
61,covalent,SING,O28,H59,,,,,31010,bmse010270,1
62,covalent,SING,O30,H60,,,,,31010,bmse010270,1
1,covalent,SING,C1,O32,,,,,31024,bmse010271,1
2,covalent,SING,C2,O33,,,,,31024,bmse010271,1
3,covalent,SING,C3,O34,,,,,31024,bmse010271,1
4,covalent,DOUB,C4,C5,,,,,31024,bmse010271,1
5,covalent,SING,C4,C6,,,,,31024,bmse010271,1
6,covalent,SING,C5,C7,,,,,31024,bmse010271,1
7,covalent,DOUB,C6,C21,,,,,31024,bmse010271,1
8,covalent,DOUB,C7,C22,,,,,31024,bmse010271,1
9,covalent,DOUB,C8,C11,,,,,31024,bmse010271,1
10,covalent,SING,C8,C17,,,,,31024,bmse010271,1
11,covalent,DOUB,C9,C13,,,,,31024,bmse010271,1
12,covalent,SING,C9,C17,,,,,31024,bmse010271,1
13,covalent,DOUB,C10,C12,,,,,31024,bmse010271,1
14,covalent,SING,C10,C18,,,,,31024,bmse010271,1
15,covalent,SING,C11,C19,,,,,31024,bmse010271,1
16,covalent,SING,C12,C20,,,,,31024,bmse010271,1
17,covalent,SING,C13,C26,,,,,31024,bmse010271,1
18,covalent,DOUB,C14,C17,,,,,31024,bmse010271,1
19,covalent,SING,C14,C23,,,,,31024,bmse010271,1
20,covalent,DOUB,C15,C18,,,,,31024,bmse010271,1
21,covalent,SING,C15,C24,,,,,31024,bmse010271,1
22,covalent,SING,C16,C25,,,,,31024,bmse010271,1
23,covalent,SING,C16,O35,,,,,31024,bmse010271,1
24,covalent,SING,C18,C27,,,,,31024,bmse010271,1
25,covalent,DOUB,C19,C23,,,,,31024,bmse010271,1
26,covalent,SING,C19,O28,,,,,31024,bmse010271,1
27,covalent,DOUB,C20,C24,,,,,31024,bmse010271,1
28,covalent,SING,C20,O29,,,,,31024,bmse010271,1
29,covalent,SING,C21,C22,,,,,31024,bmse010271,1
30,covalent,SING,C21,O32,,,,,31024,bmse010271,1
31,covalent,SING,C22,O36,,,,,31024,bmse010271,1
32,covalent,SING,C23,O33,,,,,31024,bmse010271,1
33,covalent,SING,C24,O34,,,,,31024,bmse010271,1
34,covalent,SING,C25,C27,,,,,31024,bmse010271,1
35,covalent,SING,C25,O36,,,,,31024,bmse010271,1
36,covalent,DOUB,C26,O30,,,,,31024,bmse010271,1
37,covalent,SING,C26,O35,,,,,31024,bmse010271,1
38,covalent,SING,C27,O31,,,,,31024,bmse010271,1
39,covalent,SING,C1,H37,,,,,31024,bmse010271,1
40,covalent,SING,C1,H38,,,,,31024,bmse010271,1
41,covalent,SING,C1,H39,,,,,31024,bmse010271,1
42,covalent,SING,C2,H40,,,,,31024,bmse010271,1
43,covalent,SING,C2,H41,,,,,31024,bmse010271,1
44,covalent,SING,C2,H42,,,,,31024,bmse010271,1
45,covalent,SING,C3,H43,,,,,31024,bmse010271,1
46,covalent,SING,C3,H44,,,,,31024,bmse010271,1
47,covalent,SING,C3,H45,,,,,31024,bmse010271,1
48,covalent,SING,C4,H46,,,,,31024,bmse010271,1
49,covalent,SING,C5,H47,,,,,31024,bmse010271,1
50,covalent,SING,C6,H48,,,,,31024,bmse010271,1
51,covalent,SING,C7,H49,,,,,31024,bmse010271,1
52,covalent,SING,C8,H50,,,,,31024,bmse010271,1
53,covalent,SING,C9,H51,,,,,31024,bmse010271,1
54,covalent,SING,C10,H52,,,,,31024,bmse010271,1
55,covalent,SING,C11,H53,,,,,31024,bmse010271,1
56,covalent,SING,C12,H54,,,,,31024,bmse010271,1
57,covalent,SING,C13,H55,,,,,31024,bmse010271,1
58,covalent,SING,C14,H56,,,,,31024,bmse010271,1
59,covalent,SING,C15,H57,,,,,31024,bmse010271,1
60,covalent,SING,C16,H58,,,,,31024,bmse010271,1
61,covalent,SING,C16,H59,,,,,31024,bmse010271,1
62,covalent,SING,C25,H60,,,,,31024,bmse010271,1
63,covalent,SING,C27,H61,,,,,31024,bmse010271,1
64,covalent,SING,O28,H62,,,,,31024,bmse010271,1
65,covalent,SING,O29,H63,,,,,31024,bmse010271,1
66,covalent,SING,O31,H64,,,,,31024,bmse010271,1
1,covalent,SING,C1,O32,,,,,31038,bmse010272,1
2,covalent,SING,C2,O33,,,,,31038,bmse010272,1
3,covalent,SING,C3,O34,,,,,31038,bmse010272,1
4,covalent,DOUB,C4,C5,,,,,31038,bmse010272,1
5,covalent,SING,C4,C6,,,,,31038,bmse010272,1
6,covalent,SING,C5,C7,,,,,31038,bmse010272,1
7,covalent,DOUB,C6,C21,,,,,31038,bmse010272,1
8,covalent,DOUB,C7,C22,,,,,31038,bmse010272,1
9,covalent,DOUB,C8,C11,,,,,31038,bmse010272,1
10,covalent,SING,C8,C17,,,,,31038,bmse010272,1
11,covalent,DOUB,C9,C13,,,,,31038,bmse010272,1
12,covalent,SING,C9,C17,,,,,31038,bmse010272,1
13,covalent,DOUB,C10,C12,,,,,31038,bmse010272,1
14,covalent,SING,C10,C18,,,,,31038,bmse010272,1
15,covalent,SING,C11,C19,,,,,31038,bmse010272,1
16,covalent,SING,C12,C20,,,,,31038,bmse010272,1
17,covalent,SING,C13,C26,,,,,31038,bmse010272,1
18,covalent,DOUB,C14,C17,,,,,31038,bmse010272,1
19,covalent,SING,C14,C23,,,,,31038,bmse010272,1
20,covalent,DOUB,C15,C18,,,,,31038,bmse010272,1
21,covalent,SING,C15,C24,,,,,31038,bmse010272,1
22,covalent,SING,C16,C25,,,,,31038,bmse010272,1
23,covalent,SING,C16,O35,,,,,31038,bmse010272,1
24,covalent,SING,C18,C27,,,,,31038,bmse010272,1
25,covalent,DOUB,C19,C23,,,,,31038,bmse010272,1
26,covalent,SING,C19,O28,,,,,31038,bmse010272,1
27,covalent,DOUB,C20,C24,,,,,31038,bmse010272,1
28,covalent,SING,C20,O29,,,,,31038,bmse010272,1
29,covalent,SING,C21,C22,,,,,31038,bmse010272,1
30,covalent,SING,C21,O32,,,,,31038,bmse010272,1
31,covalent,SING,C22,O36,,,,,31038,bmse010272,1
32,covalent,SING,C23,O33,,,,,31038,bmse010272,1
33,covalent,SING,C24,O34,,,,,31038,bmse010272,1
34,covalent,SING,C25,C27,,,,,31038,bmse010272,1
35,covalent,SING,C25,O36,,,,,31038,bmse010272,1
36,covalent,DOUB,C26,O30,,,,,31038,bmse010272,1
37,covalent,SING,C26,O35,,,,,31038,bmse010272,1
38,covalent,SING,C27,O31,,,,,31038,bmse010272,1
39,covalent,SING,C1,H37,,,,,31038,bmse010272,1
40,covalent,SING,C1,H38,,,,,31038,bmse010272,1
41,covalent,SING,C1,H39,,,,,31038,bmse010272,1
42,covalent,SING,C2,H40,,,,,31038,bmse010272,1
43,covalent,SING,C2,H41,,,,,31038,bmse010272,1
44,covalent,SING,C2,H42,,,,,31038,bmse010272,1
45,covalent,SING,C3,H43,,,,,31038,bmse010272,1
46,covalent,SING,C3,H44,,,,,31038,bmse010272,1
47,covalent,SING,C3,H45,,,,,31038,bmse010272,1
48,covalent,SING,C4,H46,,,,,31038,bmse010272,1
49,covalent,SING,C5,H47,,,,,31038,bmse010272,1
50,covalent,SING,C6,H48,,,,,31038,bmse010272,1
51,covalent,SING,C7,H49,,,,,31038,bmse010272,1
52,covalent,SING,C8,H50,,,,,31038,bmse010272,1
53,covalent,SING,C9,H51,,,,,31038,bmse010272,1
54,covalent,SING,C10,H52,,,,,31038,bmse010272,1
55,covalent,SING,C11,H53,,,,,31038,bmse010272,1
56,covalent,SING,C12,H54,,,,,31038,bmse010272,1
57,covalent,SING,C13,H55,,,,,31038,bmse010272,1
58,covalent,SING,C14,H56,,,,,31038,bmse010272,1
59,covalent,SING,C15,H57,,,,,31038,bmse010272,1
60,covalent,SING,C16,H58,,,,,31038,bmse010272,1
61,covalent,SING,C16,H59,,,,,31038,bmse010272,1
62,covalent,SING,C25,H60,,,,,31038,bmse010272,1
63,covalent,SING,C27,H61,,,,,31038,bmse010272,1
64,covalent,SING,O28,H62,,,,,31038,bmse010272,1
65,covalent,SING,O29,H63,,,,,31038,bmse010272,1
66,covalent,SING,O31,H64,,,,,31038,bmse010272,1
1,covalent,SING,C1,C20,,,,,31052,bmse010273,1
2,covalent,SING,C2,C21,,,,,31052,bmse010273,1
3,covalent,SING,C3,C22,,,,,31052,bmse010273,1
4,covalent,SING,C4,O37,,,,,31052,bmse010273,1
5,covalent,SING,C5,O38,,,,,31052,bmse010273,1
6,covalent,DOUB,C6,C7,,,,,31052,bmse010273,1
7,covalent,SING,C6,C8,,,,,31052,bmse010273,1
8,covalent,SING,C7,C9,,,,,31052,bmse010273,1
9,covalent,DOUB,C8,C26,,,,,31052,bmse010273,1
10,covalent,DOUB,C9,C27,,,,,31052,bmse010273,1
11,covalent,SING,C10,C14,,,,,31052,bmse010273,1
12,covalent,DOUB,C10,C23,,,,,31052,bmse010273,1
13,covalent,DOUB,C11,C15,,,,,31052,bmse010273,1
14,covalent,SING,C11,C23,,,,,31052,bmse010273,1
15,covalent,DOUB,C12,C17,,,,,31052,bmse010273,1
16,covalent,SING,C12,C23,,,,,31052,bmse010273,1
17,covalent,DOUB,C13,C16,,,,,31052,bmse010273,1
18,covalent,SING,C13,C24,,,,,31052,bmse010273,1
19,covalent,DOUB,C14,C25,,,,,31052,bmse010273,1
20,covalent,SING,C15,C25,,,,,31052,bmse010273,1
21,covalent,SING,C16,C28,,,,,31052,bmse010273,1
22,covalent,SING,C17,C31,,,,,31052,bmse010273,1
23,covalent,DOUB,C18,C24,,,,,31052,bmse010273,1
24,covalent,SING,C18,C29,,,,,31052,bmse010273,1
25,covalent,SING,C19,C30,,,,,31052,bmse010273,1
26,covalent,SING,C19,O39,,,,,31052,bmse010273,1
27,covalent,DOUB,C20,O33,,,,,31052,bmse010273,1
28,covalent,SING,C20,O40,,,,,31052,bmse010273,1
29,covalent,DOUB,C21,O34,,,,,31052,bmse010273,1
30,covalent,SING,C21,O41,,,,,31052,bmse010273,1
31,covalent,DOUB,C22,O35,,,,,31052,bmse010273,1
32,covalent,SING,C22,O42,,,,,31052,bmse010273,1
33,covalent,SING,C24,C32,,,,,31052,bmse010273,1
34,covalent,SING,C25,O40,,,,,31052,bmse010273,1
35,covalent,SING,C26,C27,,,,,31052,bmse010273,1
36,covalent,SING,C26,O37,,,,,31052,bmse010273,1
37,covalent,SING,C27,O43,,,,,31052,bmse010273,1
38,covalent,DOUB,C28,C29,,,,,31052,bmse010273,1
39,covalent,SING,C28,O41,,,,,31052,bmse010273,1
40,covalent,SING,C29,O38,,,,,31052,bmse010273,1
41,covalent,SING,C30,C32,,,,,31052,bmse010273,1
42,covalent,SING,C30,O43,,,,,31052,bmse010273,1
43,covalent,DOUB,C31,O36,,,,,31052,bmse010273,1
44,covalent,SING,C31,O39,,,,,31052,bmse010273,1
45,covalent,SING,C32,O42,,,,,31052,bmse010273,1
46,covalent,SING,C1,H45,,,,,31052,bmse010273,1
47,covalent,SING,C1,H46,,,,,31052,bmse010273,1
48,covalent,SING,C1,H44,,,,,31052,bmse010273,1
49,covalent,SING,C2,H48,,,,,31052,bmse010273,1
50,covalent,SING,C2,H49,,,,,31052,bmse010273,1
51,covalent,SING,C2,H47,,,,,31052,bmse010273,1
52,covalent,SING,C3,H51,,,,,31052,bmse010273,1
53,covalent,SING,C3,H50,,,,,31052,bmse010273,1
54,covalent,SING,C3,H52,,,,,31052,bmse010273,1
55,covalent,SING,C4,H54,,,,,31052,bmse010273,1
56,covalent,SING,C4,H53,,,,,31052,bmse010273,1
57,covalent,SING,C4,H55,,,,,31052,bmse010273,1
58,covalent,SING,C5,H58,,,,,31052,bmse010273,1
59,covalent,SING,C5,H57,,,,,31052,bmse010273,1
60,covalent,SING,C5,H56,,,,,31052,bmse010273,1
61,covalent,SING,C6,H59,,,,,31052,bmse010273,1
62,covalent,SING,C7,H60,,,,,31052,bmse010273,1
63,covalent,SING,C8,H61,,,,,31052,bmse010273,1
64,covalent,SING,C9,H62,,,,,31052,bmse010273,1
65,covalent,SING,C10,H63,,,,,31052,bmse010273,1
66,covalent,SING,C11,H64,,,,,31052,bmse010273,1
67,covalent,SING,C12,H65,,,,,31052,bmse010273,1
68,covalent,SING,C13,H66,,,,,31052,bmse010273,1
69,covalent,SING,C14,H67,,,,,31052,bmse010273,1
70,covalent,SING,C15,H68,,,,,31052,bmse010273,1
71,covalent,SING,C16,H69,,,,,31052,bmse010273,1
72,covalent,SING,C17,H70,,,,,31052,bmse010273,1
73,covalent,SING,C18,H71,,,,,31052,bmse010273,1
74,covalent,SING,C19,H72,,,,,31052,bmse010273,1
75,covalent,SING,C19,H73,,,,,31052,bmse010273,1
76,covalent,SING,C30,H74,,,,,31052,bmse010273,1
77,covalent,SING,C32,H75,,,,,31052,bmse010273,1
1,covalent,SING,C1,C20,,,,,31066,bmse010274,1
2,covalent,SING,C2,C21,,,,,31066,bmse010274,1
3,covalent,SING,C3,C22,,,,,31066,bmse010274,1
4,covalent,SING,C4,O37,,,,,31066,bmse010274,1
5,covalent,SING,C5,O38,,,,,31066,bmse010274,1
6,covalent,DOUB,C6,C7,,,,,31066,bmse010274,1
7,covalent,SING,C6,C8,,,,,31066,bmse010274,1
8,covalent,SING,C7,C9,,,,,31066,bmse010274,1
9,covalent,DOUB,C8,C26,,,,,31066,bmse010274,1
10,covalent,DOUB,C9,C27,,,,,31066,bmse010274,1
11,covalent,SING,C10,C14,,,,,31066,bmse010274,1
12,covalent,DOUB,C10,C23,,,,,31066,bmse010274,1
13,covalent,DOUB,C11,C15,,,,,31066,bmse010274,1
14,covalent,SING,C11,C23,,,,,31066,bmse010274,1
15,covalent,DOUB,C12,C17,,,,,31066,bmse010274,1
16,covalent,SING,C12,C23,,,,,31066,bmse010274,1
17,covalent,DOUB,C13,C16,,,,,31066,bmse010274,1
18,covalent,SING,C13,C24,,,,,31066,bmse010274,1
19,covalent,DOUB,C14,C25,,,,,31066,bmse010274,1
20,covalent,SING,C15,C25,,,,,31066,bmse010274,1
21,covalent,SING,C16,C28,,,,,31066,bmse010274,1
22,covalent,SING,C17,C31,,,,,31066,bmse010274,1
23,covalent,DOUB,C18,C24,,,,,31066,bmse010274,1
24,covalent,SING,C18,C29,,,,,31066,bmse010274,1
25,covalent,SING,C19,C30,,,,,31066,bmse010274,1
26,covalent,SING,C19,O39,,,,,31066,bmse010274,1
27,covalent,DOUB,C20,O33,,,,,31066,bmse010274,1
28,covalent,SING,C20,O40,,,,,31066,bmse010274,1
29,covalent,DOUB,C21,O34,,,,,31066,bmse010274,1
30,covalent,SING,C21,O41,,,,,31066,bmse010274,1
31,covalent,DOUB,C22,O35,,,,,31066,bmse010274,1
32,covalent,SING,C22,O42,,,,,31066,bmse010274,1
33,covalent,SING,C24,C32,,,,,31066,bmse010274,1
34,covalent,SING,C25,O40,,,,,31066,bmse010274,1
35,covalent,SING,C26,C27,,,,,31066,bmse010274,1
36,covalent,SING,C26,O37,,,,,31066,bmse010274,1
37,covalent,SING,C27,O43,,,,,31066,bmse010274,1
38,covalent,DOUB,C28,C29,,,,,31066,bmse010274,1
39,covalent,SING,C28,O41,,,,,31066,bmse010274,1
40,covalent,SING,C29,O38,,,,,31066,bmse010274,1
41,covalent,SING,C30,C32,,,,,31066,bmse010274,1
42,covalent,SING,C30,O43,,,,,31066,bmse010274,1
43,covalent,DOUB,C31,O36,,,,,31066,bmse010274,1
44,covalent,SING,C31,O39,,,,,31066,bmse010274,1
45,covalent,SING,C32,O42,,,,,31066,bmse010274,1
46,covalent,SING,C1,H45,,,,,31066,bmse010274,1
47,covalent,SING,C1,H46,,,,,31066,bmse010274,1
48,covalent,SING,C1,H44,,,,,31066,bmse010274,1
49,covalent,SING,C2,H48,,,,,31066,bmse010274,1
50,covalent,SING,C2,H49,,,,,31066,bmse010274,1
51,covalent,SING,C2,H47,,,,,31066,bmse010274,1
52,covalent,SING,C3,H51,,,,,31066,bmse010274,1
53,covalent,SING,C3,H50,,,,,31066,bmse010274,1
54,covalent,SING,C3,H52,,,,,31066,bmse010274,1
55,covalent,SING,C4,H54,,,,,31066,bmse010274,1
56,covalent,SING,C4,H53,,,,,31066,bmse010274,1
57,covalent,SING,C4,H55,,,,,31066,bmse010274,1
58,covalent,SING,C5,H58,,,,,31066,bmse010274,1
59,covalent,SING,C5,H57,,,,,31066,bmse010274,1
60,covalent,SING,C5,H56,,,,,31066,bmse010274,1
61,covalent,SING,C6,H59,,,,,31066,bmse010274,1
62,covalent,SING,C7,H60,,,,,31066,bmse010274,1
63,covalent,SING,C8,H61,,,,,31066,bmse010274,1
64,covalent,SING,C9,H62,,,,,31066,bmse010274,1
65,covalent,SING,C10,H63,,,,,31066,bmse010274,1
66,covalent,SING,C11,H64,,,,,31066,bmse010274,1
67,covalent,SING,C12,H65,,,,,31066,bmse010274,1
68,covalent,SING,C13,H66,,,,,31066,bmse010274,1
69,covalent,SING,C14,H67,,,,,31066,bmse010274,1
70,covalent,SING,C15,H68,,,,,31066,bmse010274,1
71,covalent,SING,C16,H69,,,,,31066,bmse010274,1
72,covalent,SING,C17,H70,,,,,31066,bmse010274,1
73,covalent,SING,C18,H71,,,,,31066,bmse010274,1
74,covalent,SING,C19,H72,,,,,31066,bmse010274,1
75,covalent,SING,C19,H73,,,,,31066,bmse010274,1
76,covalent,SING,C30,H74,,,,,31066,bmse010274,1
77,covalent,SING,C32,H75,,,,,31066,bmse010274,1
1,covalent,SING,C1,C20,,,,,31080,bmse010275,1
2,covalent,SING,C2,C21,,,,,31080,bmse010275,1
3,covalent,SING,C3,C22,,,,,31080,bmse010275,1
4,covalent,SING,C4,O38,,,,,31080,bmse010275,1
5,covalent,SING,C5,O39,,,,,31080,bmse010275,1
6,covalent,SING,C6,O40,,,,,31080,bmse010275,1
7,covalent,DOUB,C7,C8,,,,,31080,bmse010275,1
8,covalent,SING,C7,C9,,,,,31080,bmse010275,1
9,covalent,SING,C8,C10,,,,,31080,bmse010275,1
10,covalent,DOUB,C9,C25,,,,,31080,bmse010275,1
11,covalent,DOUB,C10,C26,,,,,31080,bmse010275,1
12,covalent,DOUB,C11,C14,,,,,31080,bmse010275,1
13,covalent,SING,C11,C23,,,,,31080,bmse010275,1
14,covalent,DOUB,C12,C16,,,,,31080,bmse010275,1
15,covalent,SING,C12,C23,,,,,31080,bmse010275,1
16,covalent,DOUB,C13,C15,,,,,31080,bmse010275,1
17,covalent,SING,C13,C24,,,,,31080,bmse010275,1
18,covalent,SING,C14,C27,,,,,31080,bmse010275,1
19,covalent,SING,C15,C28,,,,,31080,bmse010275,1
20,covalent,SING,C16,C32,,,,,31080,bmse010275,1
21,covalent,DOUB,C17,C23,,,,,31080,bmse010275,1
22,covalent,SING,C17,C29,,,,,31080,bmse010275,1
23,covalent,DOUB,C18,C24,,,,,31080,bmse010275,1
24,covalent,SING,C18,C30,,,,,31080,bmse010275,1
25,covalent,SING,C19,C31,,,,,31080,bmse010275,1
26,covalent,SING,C19,O41,,,,,31080,bmse010275,1
27,covalent,DOUB,C20,O34,,,,,31080,bmse010275,1
28,covalent,SING,C20,O42,,,,,31080,bmse010275,1
29,covalent,DOUB,C21,O35,,,,,31080,bmse010275,1
30,covalent,SING,C21,O43,,,,,31080,bmse010275,1
31,covalent,DOUB,C22,O36,,,,,31080,bmse010275,1
32,covalent,SING,C22,O44,,,,,31080,bmse010275,1
33,covalent,SING,C24,C33,,,,,31080,bmse010275,1
34,covalent,SING,C25,C26,,,,,31080,bmse010275,1
35,covalent,SING,C25,O38,,,,,31080,bmse010275,1
36,covalent,SING,C26,O45,,,,,31080,bmse010275,1
37,covalent,DOUB,C27,C29,,,,,31080,bmse010275,1
38,covalent,SING,C27,O42,,,,,31080,bmse010275,1
39,covalent,DOUB,C28,C30,,,,,31080,bmse010275,1
40,covalent,SING,C28,O43,,,,,31080,bmse010275,1
41,covalent,SING,C29,O39,,,,,31080,bmse010275,1
42,covalent,SING,C30,O40,,,,,31080,bmse010275,1
43,covalent,SING,C31,C33,,,,,31080,bmse010275,1
44,covalent,SING,C31,O45,,,,,31080,bmse010275,1
45,covalent,DOUB,C32,O37,,,,,31080,bmse010275,1
46,covalent,SING,C32,O41,,,,,31080,bmse010275,1
47,covalent,SING,C33,O44,,,,,31080,bmse010275,1
48,covalent,SING,C1,H46,,,,,31080,bmse010275,1
49,covalent,SING,C1,H47,,,,,31080,bmse010275,1
50,covalent,SING,C1,H48,,,,,31080,bmse010275,1
51,covalent,SING,C2,H50,,,,,31080,bmse010275,1
52,covalent,SING,C2,H51,,,,,31080,bmse010275,1
53,covalent,SING,C2,H49,,,,,31080,bmse010275,1
54,covalent,SING,C3,H53,,,,,31080,bmse010275,1
55,covalent,SING,C3,H52,,,,,31080,bmse010275,1
56,covalent,SING,C3,H54,,,,,31080,bmse010275,1
57,covalent,SING,C4,H56,,,,,31080,bmse010275,1
58,covalent,SING,C4,H55,,,,,31080,bmse010275,1
59,covalent,SING,C4,H57,,,,,31080,bmse010275,1
60,covalent,SING,C5,H60,,,,,31080,bmse010275,1
61,covalent,SING,C5,H59,,,,,31080,bmse010275,1
62,covalent,SING,C5,H58,,,,,31080,bmse010275,1
63,covalent,SING,C6,H63,,,,,31080,bmse010275,1
64,covalent,SING,C6,H62,,,,,31080,bmse010275,1
65,covalent,SING,C6,H61,,,,,31080,bmse010275,1
66,covalent,SING,C7,H64,,,,,31080,bmse010275,1
67,covalent,SING,C8,H65,,,,,31080,bmse010275,1
68,covalent,SING,C9,H66,,,,,31080,bmse010275,1
69,covalent,SING,C10,H67,,,,,31080,bmse010275,1
70,covalent,SING,C11,H68,,,,,31080,bmse010275,1
71,covalent,SING,C12,H69,,,,,31080,bmse010275,1
72,covalent,SING,C13,H70,,,,,31080,bmse010275,1
73,covalent,SING,C14,H71,,,,,31080,bmse010275,1
74,covalent,SING,C15,H72,,,,,31080,bmse010275,1
75,covalent,SING,C16,H73,,,,,31080,bmse010275,1
76,covalent,SING,C17,H74,,,,,31080,bmse010275,1
77,covalent,SING,C18,H75,,,,,31080,bmse010275,1
78,covalent,SING,C19,H76,,,,,31080,bmse010275,1
79,covalent,SING,C19,H77,,,,,31080,bmse010275,1
80,covalent,SING,C31,H78,,,,,31080,bmse010275,1
81,covalent,SING,C33,H79,,,,,31080,bmse010275,1
1,covalent,SING,C1,C20,,,,,31094,bmse010276,1
2,covalent,SING,C2,C21,,,,,31094,bmse010276,1
3,covalent,SING,C3,C22,,,,,31094,bmse010276,1
4,covalent,SING,C4,O38,,,,,31094,bmse010276,1
5,covalent,SING,C5,O39,,,,,31094,bmse010276,1
6,covalent,SING,C6,O40,,,,,31094,bmse010276,1
7,covalent,DOUB,C7,C8,,,,,31094,bmse010276,1
8,covalent,SING,C7,C9,,,,,31094,bmse010276,1
9,covalent,SING,C8,C10,,,,,31094,bmse010276,1
10,covalent,DOUB,C9,C25,,,,,31094,bmse010276,1
11,covalent,DOUB,C10,C26,,,,,31094,bmse010276,1
12,covalent,DOUB,C11,C14,,,,,31094,bmse010276,1
13,covalent,SING,C11,C23,,,,,31094,bmse010276,1
14,covalent,DOUB,C12,C16,,,,,31094,bmse010276,1
15,covalent,SING,C12,C23,,,,,31094,bmse010276,1
16,covalent,DOUB,C13,C15,,,,,31094,bmse010276,1
17,covalent,SING,C13,C24,,,,,31094,bmse010276,1
18,covalent,SING,C14,C27,,,,,31094,bmse010276,1
19,covalent,SING,C15,C28,,,,,31094,bmse010276,1
20,covalent,SING,C16,C32,,,,,31094,bmse010276,1
21,covalent,DOUB,C17,C23,,,,,31094,bmse010276,1
22,covalent,SING,C17,C29,,,,,31094,bmse010276,1
23,covalent,DOUB,C18,C24,,,,,31094,bmse010276,1
24,covalent,SING,C18,C30,,,,,31094,bmse010276,1
25,covalent,SING,C19,C31,,,,,31094,bmse010276,1
26,covalent,SING,C19,O41,,,,,31094,bmse010276,1
27,covalent,DOUB,C20,O34,,,,,31094,bmse010276,1
28,covalent,SING,C20,O42,,,,,31094,bmse010276,1
29,covalent,DOUB,C21,O35,,,,,31094,bmse010276,1
30,covalent,SING,C21,O43,,,,,31094,bmse010276,1
31,covalent,DOUB,C22,O36,,,,,31094,bmse010276,1
32,covalent,SING,C22,O44,,,,,31094,bmse010276,1
33,covalent,SING,C24,C33,,,,,31094,bmse010276,1
34,covalent,SING,C25,C26,,,,,31094,bmse010276,1
35,covalent,SING,C25,O38,,,,,31094,bmse010276,1
36,covalent,SING,C26,O45,,,,,31094,bmse010276,1
37,covalent,DOUB,C27,C29,,,,,31094,bmse010276,1
38,covalent,SING,C27,O42,,,,,31094,bmse010276,1
39,covalent,DOUB,C28,C30,,,,,31094,bmse010276,1
40,covalent,SING,C28,O43,,,,,31094,bmse010276,1
41,covalent,SING,C29,O39,,,,,31094,bmse010276,1
42,covalent,SING,C30,O40,,,,,31094,bmse010276,1
43,covalent,SING,C31,C33,,,,,31094,bmse010276,1
44,covalent,SING,C31,O45,,,,,31094,bmse010276,1
45,covalent,DOUB,C32,O37,,,,,31094,bmse010276,1
46,covalent,SING,C32,O41,,,,,31094,bmse010276,1
47,covalent,SING,C33,O44,,,,,31094,bmse010276,1
48,covalent,SING,C1,H46,,,,,31094,bmse010276,1
49,covalent,SING,C1,H47,,,,,31094,bmse010276,1
50,covalent,SING,C1,H48,,,,,31094,bmse010276,1
51,covalent,SING,C2,H50,,,,,31094,bmse010276,1
52,covalent,SING,C2,H51,,,,,31094,bmse010276,1
53,covalent,SING,C2,H49,,,,,31094,bmse010276,1
54,covalent,SING,C3,H53,,,,,31094,bmse010276,1
55,covalent,SING,C3,H52,,,,,31094,bmse010276,1
56,covalent,SING,C3,H54,,,,,31094,bmse010276,1
57,covalent,SING,C4,H56,,,,,31094,bmse010276,1
58,covalent,SING,C4,H55,,,,,31094,bmse010276,1
59,covalent,SING,C4,H57,,,,,31094,bmse010276,1
60,covalent,SING,C5,H60,,,,,31094,bmse010276,1
61,covalent,SING,C5,H59,,,,,31094,bmse010276,1
62,covalent,SING,C5,H58,,,,,31094,bmse010276,1
63,covalent,SING,C6,H63,,,,,31094,bmse010276,1
64,covalent,SING,C6,H62,,,,,31094,bmse010276,1
65,covalent,SING,C6,H61,,,,,31094,bmse010276,1
66,covalent,SING,C7,H64,,,,,31094,bmse010276,1
67,covalent,SING,C8,H65,,,,,31094,bmse010276,1
68,covalent,SING,C9,H66,,,,,31094,bmse010276,1
69,covalent,SING,C10,H67,,,,,31094,bmse010276,1
70,covalent,SING,C11,H68,,,,,31094,bmse010276,1
71,covalent,SING,C12,H69,,,,,31094,bmse010276,1
72,covalent,SING,C13,H70,,,,,31094,bmse010276,1
73,covalent,SING,C14,H71,,,,,31094,bmse010276,1
74,covalent,SING,C15,H72,,,,,31094,bmse010276,1
75,covalent,SING,C16,H73,,,,,31094,bmse010276,1
76,covalent,SING,C17,H74,,,,,31094,bmse010276,1
77,covalent,SING,C18,H75,,,,,31094,bmse010276,1
78,covalent,SING,C19,H76,,,,,31094,bmse010276,1
79,covalent,SING,C19,H77,,,,,31094,bmse010276,1
80,covalent,SING,C31,H78,,,,,31094,bmse010276,1
81,covalent,SING,C33,H79,,,,,31094,bmse010276,1
1,covalent,SING,C1,C20,,,,,31108,bmse010277,1
2,covalent,SING,C2,C21,,,,,31108,bmse010277,1
3,covalent,SING,C3,C22,,,,,31108,bmse010277,1
4,covalent,SING,C4,O37,,,,,31108,bmse010277,1
5,covalent,SING,C5,O38,,,,,31108,bmse010277,1
6,covalent,DOUB,C6,C7,,,,,31108,bmse010277,1
7,covalent,SING,C6,C8,,,,,31108,bmse010277,1
8,covalent,SING,C7,C9,,,,,31108,bmse010277,1
9,covalent,DOUB,C8,C26,,,,,31108,bmse010277,1
10,covalent,DOUB,C9,C27,,,,,31108,bmse010277,1
11,covalent,SING,C10,C14,,,,,31108,bmse010277,1
12,covalent,DOUB,C10,C23,,,,,31108,bmse010277,1
13,covalent,DOUB,C11,C15,,,,,31108,bmse010277,1
14,covalent,SING,C11,C23,,,,,31108,bmse010277,1
15,covalent,DOUB,C12,C17,,,,,31108,bmse010277,1
16,covalent,SING,C12,C23,,,,,31108,bmse010277,1
17,covalent,DOUB,C13,C16,,,,,31108,bmse010277,1
18,covalent,SING,C13,C24,,,,,31108,bmse010277,1
19,covalent,DOUB,C14,C25,,,,,31108,bmse010277,1
20,covalent,SING,C15,C25,,,,,31108,bmse010277,1
21,covalent,SING,C16,C28,,,,,31108,bmse010277,1
22,covalent,SING,C17,C31,,,,,31108,bmse010277,1
23,covalent,DOUB,C18,C24,,,,,31108,bmse010277,1
24,covalent,SING,C18,C29,,,,,31108,bmse010277,1
25,covalent,SING,C19,C30,,,,,31108,bmse010277,1
26,covalent,SING,C19,O39,,,,,31108,bmse010277,1
27,covalent,DOUB,C20,O33,,,,,31108,bmse010277,1
28,covalent,SING,C20,O39,,,,,31108,bmse010277,1
29,covalent,DOUB,C21,O34,,,,,31108,bmse010277,1
30,covalent,SING,C21,O40,,,,,31108,bmse010277,1
31,covalent,DOUB,C22,O35,,,,,31108,bmse010277,1
32,covalent,SING,C22,O41,,,,,31108,bmse010277,1
33,covalent,SING,C24,C32,,,,,31108,bmse010277,1
34,covalent,SING,C25,O40,,,,,31108,bmse010277,1
35,covalent,SING,C26,C27,,,,,31108,bmse010277,1
36,covalent,SING,C26,O37,,,,,31108,bmse010277,1
37,covalent,SING,C27,O42,,,,,31108,bmse010277,1
38,covalent,DOUB,C28,C29,,,,,31108,bmse010277,1
39,covalent,SING,C28,O43,,,,,31108,bmse010277,1
40,covalent,SING,C29,O38,,,,,31108,bmse010277,1
41,covalent,SING,C30,C32,,,,,31108,bmse010277,1
42,covalent,SING,C30,O42,,,,,31108,bmse010277,1
43,covalent,DOUB,C31,O36,,,,,31108,bmse010277,1
44,covalent,SING,C31,O43,,,,,31108,bmse010277,1
45,covalent,SING,C32,O41,,,,,31108,bmse010277,1
46,covalent,SING,C1,H44,,,,,31108,bmse010277,1
47,covalent,SING,C1,H45,,,,,31108,bmse010277,1
48,covalent,SING,C1,H46,,,,,31108,bmse010277,1
49,covalent,SING,C2,H47,,,,,31108,bmse010277,1
50,covalent,SING,C2,H49,,,,,31108,bmse010277,1
51,covalent,SING,C2,H48,,,,,31108,bmse010277,1
52,covalent,SING,C3,H50,,,,,31108,bmse010277,1
53,covalent,SING,C3,H51,,,,,31108,bmse010277,1
54,covalent,SING,C3,H52,,,,,31108,bmse010277,1
55,covalent,SING,C4,H54,,,,,31108,bmse010277,1
56,covalent,SING,C4,H53,,,,,31108,bmse010277,1
57,covalent,SING,C4,H55,,,,,31108,bmse010277,1
58,covalent,SING,C5,H57,,,,,31108,bmse010277,1
59,covalent,SING,C5,H58,,,,,31108,bmse010277,1
60,covalent,SING,C5,H56,,,,,31108,bmse010277,1
61,covalent,SING,C6,H59,,,,,31108,bmse010277,1
62,covalent,SING,C7,H60,,,,,31108,bmse010277,1
63,covalent,SING,C8,H61,,,,,31108,bmse010277,1
64,covalent,SING,C9,H62,,,,,31108,bmse010277,1
65,covalent,SING,C10,H63,,,,,31108,bmse010277,1
66,covalent,SING,C11,H64,,,,,31108,bmse010277,1
67,covalent,SING,C12,H65,,,,,31108,bmse010277,1
68,covalent,SING,C13,H66,,,,,31108,bmse010277,1
69,covalent,SING,C14,H67,,,,,31108,bmse010277,1
70,covalent,SING,C15,H68,,,,,31108,bmse010277,1
71,covalent,SING,C16,H69,,,,,31108,bmse010277,1
72,covalent,SING,C17,H70,,,,,31108,bmse010277,1
73,covalent,SING,C18,H71,,,,,31108,bmse010277,1
74,covalent,SING,C19,H72,,,,,31108,bmse010277,1
75,covalent,SING,C19,H73,,,,,31108,bmse010277,1
76,covalent,SING,C30,H74,,,,,31108,bmse010277,1
77,covalent,SING,C32,H75,,,,,31108,bmse010277,1
1,covalent,SING,C1,C20,,,,,31122,bmse010278,1
2,covalent,SING,C2,C21,,,,,31122,bmse010278,1
3,covalent,SING,C3,C22,,,,,31122,bmse010278,1
4,covalent,SING,C4,O37,,,,,31122,bmse010278,1
5,covalent,SING,C5,O38,,,,,31122,bmse010278,1
6,covalent,DOUB,C6,C7,,,,,31122,bmse010278,1
7,covalent,SING,C6,C8,,,,,31122,bmse010278,1
8,covalent,SING,C7,C9,,,,,31122,bmse010278,1
9,covalent,DOUB,C8,C26,,,,,31122,bmse010278,1
10,covalent,DOUB,C9,C27,,,,,31122,bmse010278,1
11,covalent,SING,C10,C14,,,,,31122,bmse010278,1
12,covalent,DOUB,C10,C23,,,,,31122,bmse010278,1
13,covalent,DOUB,C11,C15,,,,,31122,bmse010278,1
14,covalent,SING,C11,C23,,,,,31122,bmse010278,1
15,covalent,DOUB,C12,C17,,,,,31122,bmse010278,1
16,covalent,SING,C12,C23,,,,,31122,bmse010278,1
17,covalent,DOUB,C13,C16,,,,,31122,bmse010278,1
18,covalent,SING,C13,C24,,,,,31122,bmse010278,1
19,covalent,DOUB,C14,C25,,,,,31122,bmse010278,1
20,covalent,SING,C15,C25,,,,,31122,bmse010278,1
21,covalent,SING,C16,C28,,,,,31122,bmse010278,1
22,covalent,SING,C17,C31,,,,,31122,bmse010278,1
23,covalent,DOUB,C18,C24,,,,,31122,bmse010278,1
24,covalent,SING,C18,C29,,,,,31122,bmse010278,1
25,covalent,SING,C19,C30,,,,,31122,bmse010278,1
26,covalent,SING,C19,O39,,,,,31122,bmse010278,1
27,covalent,DOUB,C20,O33,,,,,31122,bmse010278,1
28,covalent,SING,C20,O39,,,,,31122,bmse010278,1
29,covalent,DOUB,C21,O34,,,,,31122,bmse010278,1
30,covalent,SING,C21,O40,,,,,31122,bmse010278,1
31,covalent,DOUB,C22,O35,,,,,31122,bmse010278,1
32,covalent,SING,C22,O41,,,,,31122,bmse010278,1
33,covalent,SING,C24,C32,,,,,31122,bmse010278,1
34,covalent,SING,C25,O40,,,,,31122,bmse010278,1
35,covalent,SING,C26,C27,,,,,31122,bmse010278,1
36,covalent,SING,C26,O37,,,,,31122,bmse010278,1
37,covalent,SING,C27,O42,,,,,31122,bmse010278,1
38,covalent,DOUB,C28,C29,,,,,31122,bmse010278,1
39,covalent,SING,C28,O43,,,,,31122,bmse010278,1
40,covalent,SING,C29,O38,,,,,31122,bmse010278,1
41,covalent,SING,C30,C32,,,,,31122,bmse010278,1
42,covalent,SING,C30,O42,,,,,31122,bmse010278,1
43,covalent,DOUB,C31,O36,,,,,31122,bmse010278,1
44,covalent,SING,C31,O43,,,,,31122,bmse010278,1
45,covalent,SING,C32,O41,,,,,31122,bmse010278,1
46,covalent,SING,C1,H44,,,,,31122,bmse010278,1
47,covalent,SING,C1,H45,,,,,31122,bmse010278,1
48,covalent,SING,C1,H46,,,,,31122,bmse010278,1
49,covalent,SING,C2,H47,,,,,31122,bmse010278,1
50,covalent,SING,C2,H49,,,,,31122,bmse010278,1
51,covalent,SING,C2,H48,,,,,31122,bmse010278,1
52,covalent,SING,C3,H50,,,,,31122,bmse010278,1
53,covalent,SING,C3,H51,,,,,31122,bmse010278,1
54,covalent,SING,C3,H52,,,,,31122,bmse010278,1
55,covalent,SING,C4,H54,,,,,31122,bmse010278,1
56,covalent,SING,C4,H53,,,,,31122,bmse010278,1
57,covalent,SING,C4,H55,,,,,31122,bmse010278,1
58,covalent,SING,C5,H57,,,,,31122,bmse010278,1
59,covalent,SING,C5,H58,,,,,31122,bmse010278,1
60,covalent,SING,C5,H56,,,,,31122,bmse010278,1
61,covalent,SING,C6,H59,,,,,31122,bmse010278,1
62,covalent,SING,C7,H60,,,,,31122,bmse010278,1
63,covalent,SING,C8,H61,,,,,31122,bmse010278,1
64,covalent,SING,C9,H62,,,,,31122,bmse010278,1
65,covalent,SING,C10,H63,,,,,31122,bmse010278,1
66,covalent,SING,C11,H64,,,,,31122,bmse010278,1
67,covalent,SING,C12,H65,,,,,31122,bmse010278,1
68,covalent,SING,C13,H66,,,,,31122,bmse010278,1
69,covalent,SING,C14,H67,,,,,31122,bmse010278,1
70,covalent,SING,C15,H68,,,,,31122,bmse010278,1
71,covalent,SING,C16,H69,,,,,31122,bmse010278,1
72,covalent,SING,C17,H70,,,,,31122,bmse010278,1
73,covalent,SING,C18,H71,,,,,31122,bmse010278,1
74,covalent,SING,C19,H72,,,,,31122,bmse010278,1
75,covalent,SING,C19,H73,,,,,31122,bmse010278,1
76,covalent,SING,C30,H74,,,,,31122,bmse010278,1
77,covalent,SING,C32,H75,,,,,31122,bmse010278,1
1,covalent,SING,C1,C20,,,,,31136,bmse010279,1
2,covalent,SING,C2,C21,,,,,31136,bmse010279,1
3,covalent,SING,C3,C22,,,,,31136,bmse010279,1
4,covalent,SING,C4,O38,,,,,31136,bmse010279,1
5,covalent,SING,C5,O39,,,,,31136,bmse010279,1
6,covalent,SING,C6,O40,,,,,31136,bmse010279,1
7,covalent,DOUB,C7,C8,,,,,31136,bmse010279,1
8,covalent,SING,C7,C9,,,,,31136,bmse010279,1
9,covalent,SING,C8,C10,,,,,31136,bmse010279,1
10,covalent,DOUB,C9,C25,,,,,31136,bmse010279,1
11,covalent,DOUB,C10,C26,,,,,31136,bmse010279,1
12,covalent,DOUB,C11,C14,,,,,31136,bmse010279,1
13,covalent,SING,C11,C23,,,,,31136,bmse010279,1
14,covalent,DOUB,C12,C16,,,,,31136,bmse010279,1
15,covalent,SING,C12,C23,,,,,31136,bmse010279,1
16,covalent,DOUB,C13,C15,,,,,31136,bmse010279,1
17,covalent,SING,C13,C24,,,,,31136,bmse010279,1
18,covalent,SING,C14,C27,,,,,31136,bmse010279,1
19,covalent,SING,C15,C28,,,,,31136,bmse010279,1
20,covalent,SING,C16,C32,,,,,31136,bmse010279,1
21,covalent,DOUB,C17,C23,,,,,31136,bmse010279,1
22,covalent,SING,C17,C29,,,,,31136,bmse010279,1
23,covalent,DOUB,C18,C24,,,,,31136,bmse010279,1
24,covalent,SING,C18,C30,,,,,31136,bmse010279,1
25,covalent,SING,C19,C31,,,,,31136,bmse010279,1
26,covalent,SING,C19,O41,,,,,31136,bmse010279,1
27,covalent,DOUB,C20,O34,,,,,31136,bmse010279,1
28,covalent,SING,C20,O41,,,,,31136,bmse010279,1
29,covalent,DOUB,C21,O35,,,,,31136,bmse010279,1
30,covalent,SING,C21,O42,,,,,31136,bmse010279,1
31,covalent,DOUB,C22,O36,,,,,31136,bmse010279,1
32,covalent,SING,C22,O43,,,,,31136,bmse010279,1
33,covalent,SING,C24,C33,,,,,31136,bmse010279,1
34,covalent,SING,C25,C26,,,,,31136,bmse010279,1
35,covalent,SING,C25,O38,,,,,31136,bmse010279,1
36,covalent,SING,C26,O44,,,,,31136,bmse010279,1
37,covalent,DOUB,C27,C29,,,,,31136,bmse010279,1
38,covalent,SING,C27,O42,,,,,31136,bmse010279,1
39,covalent,DOUB,C28,C30,,,,,31136,bmse010279,1
40,covalent,SING,C28,O45,,,,,31136,bmse010279,1
41,covalent,SING,C29,O39,,,,,31136,bmse010279,1
42,covalent,SING,C30,O40,,,,,31136,bmse010279,1
43,covalent,SING,C31,C33,,,,,31136,bmse010279,1
44,covalent,SING,C31,O44,,,,,31136,bmse010279,1
45,covalent,DOUB,C32,O37,,,,,31136,bmse010279,1
46,covalent,SING,C32,O45,,,,,31136,bmse010279,1
47,covalent,SING,C33,O43,,,,,31136,bmse010279,1
48,covalent,SING,C1,H46,,,,,31136,bmse010279,1
49,covalent,SING,C1,H47,,,,,31136,bmse010279,1
50,covalent,SING,C1,H48,,,,,31136,bmse010279,1
51,covalent,SING,C2,H49,,,,,31136,bmse010279,1
52,covalent,SING,C2,H50,,,,,31136,bmse010279,1
53,covalent,SING,C2,H51,,,,,31136,bmse010279,1
54,covalent,SING,C3,H52,,,,,31136,bmse010279,1
55,covalent,SING,C3,H53,,,,,31136,bmse010279,1
56,covalent,SING,C3,H54,,,,,31136,bmse010279,1
57,covalent,SING,C4,H55,,,,,31136,bmse010279,1
58,covalent,SING,C4,H56,,,,,31136,bmse010279,1
59,covalent,SING,C4,H57,,,,,31136,bmse010279,1
60,covalent,SING,C5,H58,,,,,31136,bmse010279,1
61,covalent,SING,C5,H59,,,,,31136,bmse010279,1
62,covalent,SING,C5,H60,,,,,31136,bmse010279,1
63,covalent,SING,C6,H61,,,,,31136,bmse010279,1
64,covalent,SING,C6,H62,,,,,31136,bmse010279,1
65,covalent,SING,C6,H63,,,,,31136,bmse010279,1
66,covalent,SING,C7,H64,,,,,31136,bmse010279,1
67,covalent,SING,C8,H65,,,,,31136,bmse010279,1
68,covalent,SING,C9,H66,,,,,31136,bmse010279,1
69,covalent,SING,C10,H67,,,,,31136,bmse010279,1
70,covalent,SING,C11,H68,,,,,31136,bmse010279,1
71,covalent,SING,C12,H69,,,,,31136,bmse010279,1
72,covalent,SING,C13,H70,,,,,31136,bmse010279,1
73,covalent,SING,C14,H71,,,,,31136,bmse010279,1
74,covalent,SING,C15,H72,,,,,31136,bmse010279,1
75,covalent,SING,C16,H73,,,,,31136,bmse010279,1
76,covalent,SING,C17,H74,,,,,31136,bmse010279,1
77,covalent,SING,C18,H75,,,,,31136,bmse010279,1
78,covalent,SING,C19,H76,,,,,31136,bmse010279,1
79,covalent,SING,C19,H77,,,,,31136,bmse010279,1
80,covalent,SING,C31,H78,,,,,31136,bmse010279,1
81,covalent,SING,C33,H79,,,,,31136,bmse010279,1
1,covalent,SING,C1,C20,,,,,31150,bmse010280,1
2,covalent,SING,C2,C21,,,,,31150,bmse010280,1
3,covalent,SING,C3,C22,,,,,31150,bmse010280,1
4,covalent,SING,C4,O38,,,,,31150,bmse010280,1
5,covalent,SING,C5,O39,,,,,31150,bmse010280,1
6,covalent,SING,C6,O40,,,,,31150,bmse010280,1
7,covalent,DOUB,C7,C8,,,,,31150,bmse010280,1
8,covalent,SING,C7,C9,,,,,31150,bmse010280,1
9,covalent,SING,C8,C10,,,,,31150,bmse010280,1
10,covalent,DOUB,C9,C25,,,,,31150,bmse010280,1
11,covalent,DOUB,C10,C26,,,,,31150,bmse010280,1
12,covalent,DOUB,C11,C14,,,,,31150,bmse010280,1
13,covalent,SING,C11,C23,,,,,31150,bmse010280,1
14,covalent,DOUB,C12,C16,,,,,31150,bmse010280,1
15,covalent,SING,C12,C23,,,,,31150,bmse010280,1
16,covalent,DOUB,C13,C15,,,,,31150,bmse010280,1
17,covalent,SING,C13,C24,,,,,31150,bmse010280,1
18,covalent,SING,C14,C27,,,,,31150,bmse010280,1
19,covalent,SING,C15,C28,,,,,31150,bmse010280,1
20,covalent,SING,C16,C32,,,,,31150,bmse010280,1
21,covalent,DOUB,C17,C23,,,,,31150,bmse010280,1
22,covalent,SING,C17,C29,,,,,31150,bmse010280,1
23,covalent,DOUB,C18,C24,,,,,31150,bmse010280,1
24,covalent,SING,C18,C30,,,,,31150,bmse010280,1
25,covalent,SING,C19,C31,,,,,31150,bmse010280,1
26,covalent,SING,C19,O41,,,,,31150,bmse010280,1
27,covalent,DOUB,C20,O34,,,,,31150,bmse010280,1
28,covalent,SING,C20,O41,,,,,31150,bmse010280,1
29,covalent,DOUB,C21,O35,,,,,31150,bmse010280,1
30,covalent,SING,C21,O42,,,,,31150,bmse010280,1
31,covalent,DOUB,C22,O36,,,,,31150,bmse010280,1
32,covalent,SING,C22,O43,,,,,31150,bmse010280,1
33,covalent,SING,C24,C33,,,,,31150,bmse010280,1
34,covalent,SING,C25,C26,,,,,31150,bmse010280,1
35,covalent,SING,C25,O38,,,,,31150,bmse010280,1
36,covalent,SING,C26,O44,,,,,31150,bmse010280,1
37,covalent,DOUB,C27,C29,,,,,31150,bmse010280,1
38,covalent,SING,C27,O42,,,,,31150,bmse010280,1
39,covalent,DOUB,C28,C30,,,,,31150,bmse010280,1
40,covalent,SING,C28,O45,,,,,31150,bmse010280,1
41,covalent,SING,C29,O39,,,,,31150,bmse010280,1
42,covalent,SING,C30,O40,,,,,31150,bmse010280,1
43,covalent,SING,C31,C33,,,,,31150,bmse010280,1
44,covalent,SING,C31,O44,,,,,31150,bmse010280,1
45,covalent,DOUB,C32,O37,,,,,31150,bmse010280,1
46,covalent,SING,C32,O45,,,,,31150,bmse010280,1
47,covalent,SING,C33,O43,,,,,31150,bmse010280,1
48,covalent,SING,C1,H46,,,,,31150,bmse010280,1
49,covalent,SING,C1,H47,,,,,31150,bmse010280,1
50,covalent,SING,C1,H48,,,,,31150,bmse010280,1
51,covalent,SING,C2,H49,,,,,31150,bmse010280,1
52,covalent,SING,C2,H50,,,,,31150,bmse010280,1
53,covalent,SING,C2,H51,,,,,31150,bmse010280,1
54,covalent,SING,C3,H52,,,,,31150,bmse010280,1
55,covalent,SING,C3,H53,,,,,31150,bmse010280,1
56,covalent,SING,C3,H54,,,,,31150,bmse010280,1
57,covalent,SING,C4,H55,,,,,31150,bmse010280,1
58,covalent,SING,C4,H56,,,,,31150,bmse010280,1
59,covalent,SING,C4,H57,,,,,31150,bmse010280,1
60,covalent,SING,C5,H58,,,,,31150,bmse010280,1
61,covalent,SING,C5,H59,,,,,31150,bmse010280,1
62,covalent,SING,C5,H60,,,,,31150,bmse010280,1
63,covalent,SING,C6,H61,,,,,31150,bmse010280,1
64,covalent,SING,C6,H62,,,,,31150,bmse010280,1
65,covalent,SING,C6,H63,,,,,31150,bmse010280,1
66,covalent,SING,C7,H64,,,,,31150,bmse010280,1
67,covalent,SING,C8,H65,,,,,31150,bmse010280,1
68,covalent,SING,C9,H66,,,,,31150,bmse010280,1
69,covalent,SING,C10,H67,,,,,31150,bmse010280,1
70,covalent,SING,C11,H68,,,,,31150,bmse010280,1
71,covalent,SING,C12,H69,,,,,31150,bmse010280,1
72,covalent,SING,C13,H70,,,,,31150,bmse010280,1
73,covalent,SING,C14,H71,,,,,31150,bmse010280,1
74,covalent,SING,C15,H72,,,,,31150,bmse010280,1
75,covalent,SING,C16,H73,,,,,31150,bmse010280,1
76,covalent,SING,C17,H74,,,,,31150,bmse010280,1
77,covalent,SING,C18,H75,,,,,31150,bmse010280,1
78,covalent,SING,C19,H76,,,,,31150,bmse010280,1
79,covalent,SING,C19,H77,,,,,31150,bmse010280,1
80,covalent,SING,C31,H78,,,,,31150,bmse010280,1
81,covalent,SING,C33,H79,,,,,31150,bmse010280,1
1,covalent,SING,C1,C12,,,,,31164,bmse010281,1
2,covalent,SING,C2,O21,,,,,31164,bmse010281,1
3,covalent,SING,C3,O22,,,,,31164,bmse010281,1
4,covalent,DOUB,C4,C5,,,,,31164,bmse010281,1
5,covalent,SING,C4,C6,,,,,31164,bmse010281,1
6,covalent,SING,C5,C7,,,,,31164,bmse010281,1
7,covalent,DOUB,C6,C15,,,,,31164,bmse010281,1
8,covalent,DOUB,C7,C16,,,,,31164,bmse010281,1
9,covalent,DOUB,C8,C9,,,,,31164,bmse010281,1
10,covalent,SING,C8,C13,,,,,31164,bmse010281,1
11,covalent,SING,C9,C17,,,,,31164,bmse010281,1
12,covalent,DOUB,C10,C13,,,,,31164,bmse010281,1
13,covalent,SING,C10,C18,,,,,31164,bmse010281,1
14,covalent,SING,C11,C14,,,,,31164,bmse010281,1
15,covalent,SING,C11,O23,,,,,31164,bmse010281,1
16,covalent,DOUB,C12,O19,,,,,31164,bmse010281,1
17,covalent,SING,C12,O24,,,,,31164,bmse010281,1
18,covalent,SING,C13,C14,,,,,31164,bmse010281,1
19,covalent,DOUB,C14,O20,,,,,31164,bmse010281,1
20,covalent,SING,C15,C16,,,,,31164,bmse010281,1
21,covalent,SING,C15,O21,,,,,31164,bmse010281,1
22,covalent,SING,C16,O23,,,,,31164,bmse010281,1
23,covalent,DOUB,C17,C18,,,,,31164,bmse010281,1
24,covalent,SING,C17,O24,,,,,31164,bmse010281,1
25,covalent,SING,C18,O22,,,,,31164,bmse010281,1
26,covalent,SING,C1,H26,,,,,31164,bmse010281,1
27,covalent,SING,C1,H27,,,,,31164,bmse010281,1
28,covalent,SING,C1,H25,,,,,31164,bmse010281,1
29,covalent,SING,C2,H29,,,,,31164,bmse010281,1
30,covalent,SING,C2,H28,,,,,31164,bmse010281,1
31,covalent,SING,C2,H30,,,,,31164,bmse010281,1
32,covalent,SING,C3,H33,,,,,31164,bmse010281,1
33,covalent,SING,C3,H32,,,,,31164,bmse010281,1
34,covalent,SING,C3,H31,,,,,31164,bmse010281,1
35,covalent,SING,C4,H34,,,,,31164,bmse010281,1
36,covalent,SING,C5,H35,,,,,31164,bmse010281,1
37,covalent,SING,C6,H36,,,,,31164,bmse010281,1
38,covalent,SING,C7,H37,,,,,31164,bmse010281,1
39,covalent,SING,C8,H38,,,,,31164,bmse010281,1
40,covalent,SING,C9,H39,,,,,31164,bmse010281,1
41,covalent,SING,C10,H40,,,,,31164,bmse010281,1
42,covalent,SING,C11,H41,,,,,31164,bmse010281,1
43,covalent,SING,C11,H42,,,,,31164,bmse010281,1
1,covalent,SING,C1,C12,,,,,31178,bmse010282,1
2,covalent,SING,C2,O23,,,,,31178,bmse010282,1
3,covalent,SING,C3,O24,,,,,31178,bmse010282,1
4,covalent,DOUB,C4,C5,,,,,31178,bmse010282,1
5,covalent,SING,C4,C6,,,,,31178,bmse010282,1
6,covalent,SING,C5,C7,,,,,31178,bmse010282,1
7,covalent,DOUB,C6,C14,,,,,31178,bmse010282,1
8,covalent,DOUB,C7,C15,,,,,31178,bmse010282,1
9,covalent,DOUB,C8,C9,,,,,31178,bmse010282,1
10,covalent,SING,C8,C13,,,,,31178,bmse010282,1
11,covalent,SING,C9,C16,,,,,31178,bmse010282,1
12,covalent,DOUB,C10,C13,,,,,31178,bmse010282,1
13,covalent,SING,C10,C17,,,,,31178,bmse010282,1
14,covalent,SING,C11,C18,,,,,31178,bmse010282,1
15,covalent,SING,C11,O20,,,,,31178,bmse010282,1
16,covalent,DOUB,C12,O21,,,,,31178,bmse010282,1
17,covalent,SING,C12,O25,,,,,31178,bmse010282,1
18,covalent,SING,C13,C19,,,,,31178,bmse010282,1
19,covalent,SING,C14,C15,,,,,31178,bmse010282,1
20,covalent,SING,C14,O23,,,,,31178,bmse010282,1
21,covalent,SING,C15,O26,,,,,31178,bmse010282,1
22,covalent,DOUB,C16,C17,,,,,31178,bmse010282,1
23,covalent,SING,C16,O25,,,,,31178,bmse010282,1
24,covalent,SING,C17,O24,,,,,31178,bmse010282,1
25,covalent,SING,C18,C19,,,,,31178,bmse010282,1
26,covalent,SING,C18,O26,,,,,31178,bmse010282,1
27,covalent,DOUB,C19,O22,,,,,31178,bmse010282,1
28,covalent,SING,C1,H29,,,,,31178,bmse010282,1
29,covalent,SING,C1,H28,,,,,31178,bmse010282,1
30,covalent,SING,C1,H27,,,,,31178,bmse010282,1
31,covalent,SING,C2,H31,,,,,31178,bmse010282,1
32,covalent,SING,C2,H30,,,,,31178,bmse010282,1
33,covalent,SING,C2,H32,,,,,31178,bmse010282,1
34,covalent,SING,C3,H33,,,,,31178,bmse010282,1
35,covalent,SING,C3,H34,,,,,31178,bmse010282,1
36,covalent,SING,C3,H35,,,,,31178,bmse010282,1
37,covalent,SING,C4,H36,,,,,31178,bmse010282,1
38,covalent,SING,C5,H37,,,,,31178,bmse010282,1
39,covalent,SING,C6,H38,,,,,31178,bmse010282,1
40,covalent,SING,C7,H39,,,,,31178,bmse010282,1
41,covalent,SING,C8,H40,,,,,31178,bmse010282,1
42,covalent,SING,C9,H41,,,,,31178,bmse010282,1
43,covalent,SING,C10,H42,,,,,31178,bmse010282,1
44,covalent,SING,C11,H43,,,,,31178,bmse010282,1
45,covalent,SING,C11,H44,,,,,31178,bmse010282,1
46,covalent,SING,C18,H45,,,,,31178,bmse010282,1
47,covalent,SING,O20,H46,,,,,31178,bmse010282,1
1,covalent,SING,C1,C13,,,,,31192,bmse010283,1
2,covalent,SING,C2,C14,,,,,31192,bmse010283,1
3,covalent,SING,C3,O25,,,,,31192,bmse010283,1
4,covalent,SING,C4,O26,,,,,31192,bmse010283,1
5,covalent,DOUB,C5,C6,,,,,31192,bmse010283,1
6,covalent,SING,C5,C7,,,,,31192,bmse010283,1
7,covalent,SING,C6,C8,,,,,31192,bmse010283,1
8,covalent,DOUB,C7,C17,,,,,31192,bmse010283,1
9,covalent,DOUB,C8,C18,,,,,31192,bmse010283,1
10,covalent,DOUB,C9,C10,,,,,31192,bmse010283,1
11,covalent,SING,C9,C15,,,,,31192,bmse010283,1
12,covalent,SING,C10,C16,,,,,31192,bmse010283,1
13,covalent,DOUB,C11,C15,,,,,31192,bmse010283,1
14,covalent,SING,C11,C19,,,,,31192,bmse010283,1
15,covalent,SING,C12,C20,,,,,31192,bmse010283,1
16,covalent,SING,C12,O27,,,,,31192,bmse010283,1
17,covalent,DOUB,C13,O22,,,,,31192,bmse010283,1
18,covalent,SING,C13,O27,,,,,31192,bmse010283,1
19,covalent,DOUB,C14,O23,,,,,31192,bmse010283,1
20,covalent,SING,C14,O28,,,,,31192,bmse010283,1
21,covalent,SING,C15,C21,,,,,31192,bmse010283,1
22,covalent,DOUB,C16,C19,,,,,31192,bmse010283,1
23,covalent,SING,C16,O24,,,,,31192,bmse010283,1
24,covalent,SING,C17,C18,,,,,31192,bmse010283,1
25,covalent,SING,C17,O25,,,,,31192,bmse010283,1
26,covalent,SING,C18,O29,,,,,31192,bmse010283,1
27,covalent,SING,C19,O26,,,,,31192,bmse010283,1
28,covalent,SING,C20,C21,,,,,31192,bmse010283,1
29,covalent,SING,C20,O29,,,,,31192,bmse010283,1
30,covalent,SING,C21,O28,,,,,31192,bmse010283,1
31,covalent,SING,C1,H30,,,,,31192,bmse010283,1
32,covalent,SING,C1,H31,,,,,31192,bmse010283,1
33,covalent,SING,C1,H32,,,,,31192,bmse010283,1
34,covalent,SING,C2,H35,,,,,31192,bmse010283,1
35,covalent,SING,C2,H34,,,,,31192,bmse010283,1
36,covalent,SING,C2,H33,,,,,31192,bmse010283,1
37,covalent,SING,C3,H37,,,,,31192,bmse010283,1
38,covalent,SING,C3,H36,,,,,31192,bmse010283,1
39,covalent,SING,C3,H38,,,,,31192,bmse010283,1
40,covalent,SING,C4,H39,,,,,31192,bmse010283,1
41,covalent,SING,C4,H40,,,,,31192,bmse010283,1
42,covalent,SING,C4,H41,,,,,31192,bmse010283,1
43,covalent,SING,C5,H42,,,,,31192,bmse010283,1
44,covalent,SING,C6,H43,,,,,31192,bmse010283,1
45,covalent,SING,C7,H44,,,,,31192,bmse010283,1
46,covalent,SING,C8,H45,,,,,31192,bmse010283,1
47,covalent,SING,C9,H46,,,,,31192,bmse010283,1
48,covalent,SING,C10,H47,,,,,31192,bmse010283,1
49,covalent,SING,C11,H48,,,,,31192,bmse010283,1
50,covalent,SING,C12,H49,,,,,31192,bmse010283,1
51,covalent,SING,C12,H50,,,,,31192,bmse010283,1
52,covalent,SING,C20,H51,,,,,31192,bmse010283,1
53,covalent,SING,C21,H52,,,,,31192,bmse010283,1
54,covalent,SING,O24,H53,,,,,31192,bmse010283,1
1,covalent,SING,C1,C13,,,,,31206,bmse010284,1
2,covalent,SING,C2,C14,,,,,31206,bmse010284,1
3,covalent,SING,C3,O25,,,,,31206,bmse010284,1
4,covalent,SING,C4,O26,,,,,31206,bmse010284,1
5,covalent,DOUB,C5,C6,,,,,31206,bmse010284,1
6,covalent,SING,C5,C7,,,,,31206,bmse010284,1
7,covalent,SING,C6,C8,,,,,31206,bmse010284,1
8,covalent,DOUB,C7,C17,,,,,31206,bmse010284,1
9,covalent,DOUB,C8,C18,,,,,31206,bmse010284,1
10,covalent,DOUB,C9,C10,,,,,31206,bmse010284,1
11,covalent,SING,C9,C15,,,,,31206,bmse010284,1
12,covalent,SING,C10,C16,,,,,31206,bmse010284,1
13,covalent,DOUB,C11,C15,,,,,31206,bmse010284,1
14,covalent,SING,C11,C19,,,,,31206,bmse010284,1
15,covalent,SING,C12,C20,,,,,31206,bmse010284,1
16,covalent,SING,C12,O27,,,,,31206,bmse010284,1
17,covalent,DOUB,C13,O22,,,,,31206,bmse010284,1
18,covalent,SING,C13,O27,,,,,31206,bmse010284,1
19,covalent,DOUB,C14,O23,,,,,31206,bmse010284,1
20,covalent,SING,C14,O28,,,,,31206,bmse010284,1
21,covalent,SING,C15,C21,,,,,31206,bmse010284,1
22,covalent,DOUB,C16,C19,,,,,31206,bmse010284,1
23,covalent,SING,C16,O24,,,,,31206,bmse010284,1
24,covalent,SING,C17,C18,,,,,31206,bmse010284,1
25,covalent,SING,C17,O25,,,,,31206,bmse010284,1
26,covalent,SING,C18,O29,,,,,31206,bmse010284,1
27,covalent,SING,C19,O26,,,,,31206,bmse010284,1
28,covalent,SING,C20,C21,,,,,31206,bmse010284,1
29,covalent,SING,C20,O29,,,,,31206,bmse010284,1
30,covalent,SING,C21,O28,,,,,31206,bmse010284,1
31,covalent,SING,C1,H30,,,,,31206,bmse010284,1
32,covalent,SING,C1,H31,,,,,31206,bmse010284,1
33,covalent,SING,C1,H32,,,,,31206,bmse010284,1
34,covalent,SING,C2,H35,,,,,31206,bmse010284,1
35,covalent,SING,C2,H34,,,,,31206,bmse010284,1
36,covalent,SING,C2,H33,,,,,31206,bmse010284,1
37,covalent,SING,C3,H37,,,,,31206,bmse010284,1
38,covalent,SING,C3,H36,,,,,31206,bmse010284,1
39,covalent,SING,C3,H38,,,,,31206,bmse010284,1
40,covalent,SING,C4,H39,,,,,31206,bmse010284,1
41,covalent,SING,C4,H40,,,,,31206,bmse010284,1
42,covalent,SING,C4,H41,,,,,31206,bmse010284,1
43,covalent,SING,C5,H42,,,,,31206,bmse010284,1
44,covalent,SING,C6,H43,,,,,31206,bmse010284,1
45,covalent,SING,C7,H44,,,,,31206,bmse010284,1
46,covalent,SING,C8,H45,,,,,31206,bmse010284,1
47,covalent,SING,C9,H46,,,,,31206,bmse010284,1
48,covalent,SING,C10,H47,,,,,31206,bmse010284,1
49,covalent,SING,C11,H48,,,,,31206,bmse010284,1
50,covalent,SING,C12,H49,,,,,31206,bmse010284,1
51,covalent,SING,C12,H50,,,,,31206,bmse010284,1
52,covalent,SING,C20,H51,,,,,31206,bmse010284,1
53,covalent,SING,C21,H52,,,,,31206,bmse010284,1
54,covalent,SING,O24,H53,,,,,31206,bmse010284,1
1,covalent,SING,C1,O13,,,,,31220,bmse010285,1
2,covalent,DOUB,C2,C3,,,,,31220,bmse010285,1
3,covalent,SING,C2,C6,,,,,31220,bmse010285,1
4,covalent,SING,C3,C8,,,,,31220,bmse010285,1
5,covalent,DOUB,C4,C5,,,,,31220,bmse010285,1
6,covalent,SING,C4,C8,,,,,31220,bmse010285,1
7,covalent,SING,C5,C9,,,,,31220,bmse010285,1
8,covalent,SING,C6,O11,,,,,31220,bmse010285,1
9,covalent,DOUB,C7,C8,,,,,31220,bmse010285,1
10,covalent,SING,C7,C10,,,,,31220,bmse010285,1
11,covalent,DOUB,C9,C10,,,,,31220,bmse010285,1
12,covalent,SING,C9,O12,,,,,31220,bmse010285,1
13,covalent,SING,C10,O13,,,,,31220,bmse010285,1
14,covalent,SING,C1,H14,,,,,31220,bmse010285,1
15,covalent,SING,C1,H15,,,,,31220,bmse010285,1
16,covalent,SING,C1,H16,,,,,31220,bmse010285,1
17,covalent,SING,C2,H17,,,,,31220,bmse010285,1
18,covalent,SING,C3,H18,,,,,31220,bmse010285,1
19,covalent,SING,C4,H19,,,,,31220,bmse010285,1
20,covalent,SING,C5,H20,,,,,31220,bmse010285,1
21,covalent,SING,C6,H21,,,,,31220,bmse010285,1
22,covalent,SING,C6,H22,,,,,31220,bmse010285,1
23,covalent,SING,C7,H23,,,,,31220,bmse010285,1
24,covalent,SING,O11,H24,,,,,31220,bmse010285,1
25,covalent,SING,O12,H25,,,,,31220,bmse010285,1
1,covalent,SING,C1,O14,,,,,31240,bmse010286,1
2,covalent,SING,C2,O15,,,,,31240,bmse010286,1
3,covalent,DOUB,C3,C4,,,,,31240,bmse010286,1
4,covalent,SING,C3,C5,,,,,31240,bmse010286,1
5,covalent,SING,C4,C8,,,,,31240,bmse010286,1
6,covalent,SING,C5,O12,,,,,31240,bmse010286,1
7,covalent,DOUB,C6,C8,,,,,31240,bmse010286,1
8,covalent,SING,C6,C9,,,,,31240,bmse010286,1
9,covalent,SING,C7,C8,,,,,31240,bmse010286,1
10,covalent,DOUB,C7,C10,,,,,31240,bmse010286,1
11,covalent,DOUB,C9,C11,,,,,31240,bmse010286,1
12,covalent,SING,C9,O14,,,,,31240,bmse010286,1
13,covalent,SING,C10,C11,,,,,31240,bmse010286,1
14,covalent,SING,C10,O15,,,,,31240,bmse010286,1
15,covalent,SING,C11,O13,,,,,31240,bmse010286,1
16,covalent,SING,C1,H16,,,,,31240,bmse010286,1
17,covalent,SING,C1,H18,,,,,31240,bmse010286,1
18,covalent,SING,C1,H17,,,,,31240,bmse010286,1
19,covalent,SING,C2,H19,,,,,31240,bmse010286,1
20,covalent,SING,C2,H21,,,,,31240,bmse010286,1
21,covalent,SING,C2,H20,,,,,31240,bmse010286,1
22,covalent,SING,C3,H22,,,,,31240,bmse010286,1
23,covalent,SING,C4,H23,,,,,31240,bmse010286,1
24,covalent,SING,C5,H24,,,,,31240,bmse010286,1
25,covalent,SING,C5,H25,,,,,31240,bmse010286,1
26,covalent,SING,C6,H26,,,,,31240,bmse010286,1
27,covalent,SING,C7,H27,,,,,31240,bmse010286,1
28,covalent,SING,O12,H28,,,,,31240,bmse010286,1
29,covalent,SING,O13,H29,,,,,31240,bmse010286,1
1,covalent,DOUB,C1,C2,,,,,31260,bmse010287,1
2,covalent,SING,C1,C7,,,,,31260,bmse010287,1
3,covalent,SING,C2,C8,,,,,31260,bmse010287,1
4,covalent,SING,C3,C5,,,,,31260,bmse010287,1
5,covalent,DOUB,C3,C8,,,,,31260,bmse010287,1
6,covalent,DOUB,C4,C6,,,,,31260,bmse010287,1
7,covalent,SING,C4,C8,,,,,31260,bmse010287,1
8,covalent,DOUB,C5,C9,,,,,31260,bmse010287,1
9,covalent,SING,C6,C9,,,,,31260,bmse010287,1
10,covalent,SING,C7,O10,,,,,31260,bmse010287,1
11,covalent,SING,C9,O11,,,,,31260,bmse010287,1
12,covalent,SING,C1,H12,,,,,31260,bmse010287,1
13,covalent,SING,C2,H13,,,,,31260,bmse010287,1
14,covalent,SING,C3,H14,,,,,31260,bmse010287,1
15,covalent,SING,C4,H15,,,,,31260,bmse010287,1
16,covalent,SING,C5,H16,,,,,31260,bmse010287,1
17,covalent,SING,C6,H17,,,,,31260,bmse010287,1
18,covalent,SING,C7,H18,,,,,31260,bmse010287,1
19,covalent,SING,C7,H19,,,,,31260,bmse010287,1
20,covalent,SING,O10,H20,,,,,31260,bmse010287,1
21,covalent,SING,O11,H21,,,,,31260,bmse010287,1
1,covalent,SING,C1,C15,,,,,31280,bmse010288,1
2,covalent,SING,C2,C16,,,,,31280,bmse010288,1
3,covalent,SING,C3,C17,,,,,31280,bmse010288,1
4,covalent,SING,C4,O30,,,,,31280,bmse010288,1
5,covalent,SING,C5,O31,,,,,31280,bmse010288,1
6,covalent,DOUB,C6,C7,,,,,31280,bmse010288,1
7,covalent,SING,C6,C10,,,,,31280,bmse010288,1
8,covalent,SING,C7,C18,,,,,31280,bmse010288,1
9,covalent,DOUB,C8,C9,,,,,31280,bmse010288,1
10,covalent,SING,C8,C19,,,,,31280,bmse010288,1
11,covalent,SING,C9,C22,,,,,31280,bmse010288,1
12,covalent,SING,C10,O32,,,,,31280,bmse010288,1
13,covalent,DOUB,C11,C18,,,,,31280,bmse010288,1
14,covalent,SING,C11,C20,,,,,31280,bmse010288,1
15,covalent,SING,C12,C18,,,,,31280,bmse010288,1
16,covalent,DOUB,C12,C24,,,,,31280,bmse010288,1
17,covalent,DOUB,C13,C19,,,,,31280,bmse010288,1
18,covalent,SING,C13,C23,,,,,31280,bmse010288,1
19,covalent,SING,C14,C21,,,,,31280,bmse010288,1
20,covalent,SING,C14,O33,,,,,31280,bmse010288,1
21,covalent,DOUB,C15,O27,,,,,31280,bmse010288,1
22,covalent,SING,C15,O32,,,,,31280,bmse010288,1
23,covalent,DOUB,C16,O28,,,,,31280,bmse010288,1
24,covalent,SING,C16,O33,,,,,31280,bmse010288,1
25,covalent,DOUB,C17,O29,,,,,31280,bmse010288,1
26,covalent,SING,C17,O34,,,,,31280,bmse010288,1
27,covalent,SING,C19,C25,,,,,31280,bmse010288,1
28,covalent,SING,C20,C21,,,,,31280,bmse010288,1
29,covalent,DOUB,C20,C26,,,,,31280,bmse010288,1
30,covalent,SING,C21,C25,,,,,31280,bmse010288,1
31,covalent,DOUB,C22,C23,,,,,31280,bmse010288,1
32,covalent,SING,C22,O34,,,,,31280,bmse010288,1
33,covalent,SING,C23,O30,,,,,31280,bmse010288,1
34,covalent,SING,C24,C26,,,,,31280,bmse010288,1
35,covalent,SING,C24,O31,,,,,31280,bmse010288,1
36,covalent,SING,C25,O35,,,,,31280,bmse010288,1
37,covalent,SING,C26,O35,,,,,31280,bmse010288,1
38,covalent,SING,C1,H36,,,,,31280,bmse010288,1
39,covalent,SING,C1,H37,,,,,31280,bmse010288,1
40,covalent,SING,C1,H38,,,,,31280,bmse010288,1
41,covalent,SING,C2,H40,,,,,31280,bmse010288,1
42,covalent,SING,C2,H41,,,,,31280,bmse010288,1
43,covalent,SING,C2,H39,,,,,31280,bmse010288,1
44,covalent,SING,C3,H44,,,,,31280,bmse010288,1
45,covalent,SING,C3,H43,,,,,31280,bmse010288,1
46,covalent,SING,C3,H42,,,,,31280,bmse010288,1
47,covalent,SING,C4,H45,,,,,31280,bmse010288,1
48,covalent,SING,C4,H46,,,,,31280,bmse010288,1
49,covalent,SING,C4,H47,,,,,31280,bmse010288,1
50,covalent,SING,C5,H48,,,,,31280,bmse010288,1
51,covalent,SING,C5,H49,,,,,31280,bmse010288,1
52,covalent,SING,C5,H50,,,,,31280,bmse010288,1
53,covalent,SING,C6,H51,,,,,31280,bmse010288,1
54,covalent,SING,C7,H52,,,,,31280,bmse010288,1
55,covalent,SING,C8,H53,,,,,31280,bmse010288,1
56,covalent,SING,C9,H54,,,,,31280,bmse010288,1
57,covalent,SING,C10,H55,,,,,31280,bmse010288,1
58,covalent,SING,C10,H56,,,,,31280,bmse010288,1
59,covalent,SING,C11,H57,,,,,31280,bmse010288,1
60,covalent,SING,C12,H58,,,,,31280,bmse010288,1
61,covalent,SING,C13,H59,,,,,31280,bmse010288,1
62,covalent,SING,C14,H60,,,,,31280,bmse010288,1
63,covalent,SING,C14,H61,,,,,31280,bmse010288,1
64,covalent,SING,C21,H62,,,,,31280,bmse010288,1
65,covalent,SING,C25,H63,,,,,31280,bmse010288,1
1,covalent,SING,C1,C5,,,,,31300,bmse010289,1
2,covalent,SING,C2,C6,,,,,31300,bmse010289,1
3,covalent,SING,C3,O28,,,,,31300,bmse010289,1
4,covalent,SING,C4,O29,,,,,31300,bmse010289,1
5,covalent,SING,C5,O30,,,,,31300,bmse010289,1
6,covalent,SING,C6,O31,,,,,31300,bmse010289,1
7,covalent,DOUB,C7,C10,,,,,31300,bmse010289,1
8,covalent,SING,C7,C14,,,,,31300,bmse010289,1
9,covalent,DOUB,C8,C9,,,,,31300,bmse010289,1
10,covalent,SING,C8,C15,,,,,31300,bmse010289,1
11,covalent,SING,C9,C17,,,,,31300,bmse010289,1
12,covalent,SING,C10,C20,,,,,31300,bmse010289,1
13,covalent,DOUB,C11,C14,,,,,31300,bmse010289,1
14,covalent,SING,C11,C16,,,,,31300,bmse010289,1
15,covalent,SING,C12,C14,,,,,31300,bmse010289,1
16,covalent,DOUB,C12,C19,,,,,31300,bmse010289,1
17,covalent,DOUB,C13,C15,,,,,31300,bmse010289,1
18,covalent,SING,C13,C18,,,,,31300,bmse010289,1
19,covalent,SING,C15,C22,,,,,31300,bmse010289,1
20,covalent,SING,C16,C21,,,,,31300,bmse010289,1
21,covalent,DOUB,C16,C23,,,,,31300,bmse010289,1
22,covalent,DOUB,C17,C18,,,,,31300,bmse010289,1
23,covalent,SING,C17,O25,,,,,31300,bmse010289,1
24,covalent,SING,C18,O28,,,,,31300,bmse010289,1
25,covalent,SING,C19,C23,,,,,31300,bmse010289,1
26,covalent,SING,C19,O29,,,,,31300,bmse010289,1
27,covalent,DOUB,C20,O26,,,,,31300,bmse010289,1
28,covalent,SING,C20,O30,,,,,31300,bmse010289,1
29,covalent,SING,C21,C22,,,,,31300,bmse010289,1
30,covalent,SING,C21,C24,,,,,31300,bmse010289,1
31,covalent,SING,C22,O32,,,,,31300,bmse010289,1
32,covalent,SING,C23,O32,,,,,31300,bmse010289,1
33,covalent,DOUB,C24,O27,,,,,31300,bmse010289,1
34,covalent,SING,C24,O31,,,,,31300,bmse010289,1
35,covalent,SING,C1,H35,,,,,31300,bmse010289,1
36,covalent,SING,C1,H34,,,,,31300,bmse010289,1
37,covalent,SING,C1,H33,,,,,31300,bmse010289,1
38,covalent,SING,C2,H38,,,,,31300,bmse010289,1
39,covalent,SING,C2,H37,,,,,31300,bmse010289,1
40,covalent,SING,C2,H36,,,,,31300,bmse010289,1
41,covalent,SING,C3,H39,,,,,31300,bmse010289,1
42,covalent,SING,C3,H40,,,,,31300,bmse010289,1
43,covalent,SING,C3,H41,,,,,31300,bmse010289,1
44,covalent,SING,C4,H42,,,,,31300,bmse010289,1
45,covalent,SING,C4,H43,,,,,31300,bmse010289,1
46,covalent,SING,C4,H44,,,,,31300,bmse010289,1
47,covalent,SING,C5,H45,,,,,31300,bmse010289,1
48,covalent,SING,C5,H46,,,,,31300,bmse010289,1
49,covalent,SING,C6,H47,,,,,31300,bmse010289,1
50,covalent,SING,C6,H48,,,,,31300,bmse010289,1
51,covalent,SING,C7,H49,,,,,31300,bmse010289,1
52,covalent,SING,C8,H50,,,,,31300,bmse010289,1
53,covalent,SING,C9,H51,,,,,31300,bmse010289,1
54,covalent,SING,C10,H52,,,,,31300,bmse010289,1
55,covalent,SING,C11,H53,,,,,31300,bmse010289,1
56,covalent,SING,C12,H54,,,,,31300,bmse010289,1
57,covalent,SING,C13,H55,,,,,31300,bmse010289,1
58,covalent,SING,C21,H56,,,,,31300,bmse010289,1
59,covalent,SING,C22,H57,,,,,31300,bmse010289,1
60,covalent,SING,O25,H58,,,,,31300,bmse010289,1
1,covalent,SING,C1,O25,,,,,31320,bmse010290,1
2,covalent,SING,C2,O26,,,,,31320,bmse010290,1
3,covalent,DOUB,C3,C5,,,,,31320,bmse010290,1
4,covalent,SING,C3,C9,,,,,31320,bmse010290,1
5,covalent,DOUB,C4,C6,,,,,31320,bmse010290,1
6,covalent,SING,C4,C10,,,,,31320,bmse010290,1
7,covalent,SING,C5,C11,,,,,31320,bmse010290,1
8,covalent,SING,C6,C12,,,,,31320,bmse010290,1
9,covalent,DOUB,C7,C9,,,,,31320,bmse010290,1
10,covalent,SING,C7,C13,,,,,31320,bmse010290,1
11,covalent,DOUB,C8,C10,,,,,31320,bmse010290,1
12,covalent,SING,C8,C14,,,,,31320,bmse010290,1
13,covalent,SING,C9,C17,,,,,31320,bmse010290,1
14,covalent,SING,C10,C18,,,,,31320,bmse010290,1
15,covalent,DOUB,C11,C13,,,,,31320,bmse010290,1
16,covalent,SING,C11,O21,,,,,31320,bmse010290,1
17,covalent,DOUB,C12,C14,,,,,31320,bmse010290,1
18,covalent,SING,C12,O22,,,,,31320,bmse010290,1
19,covalent,SING,C13,O25,,,,,31320,bmse010290,1
20,covalent,SING,C14,O26,,,,,31320,bmse010290,1
21,covalent,SING,C15,C16,,,,,31320,bmse010290,1
22,covalent,SING,C15,C17,,,,,31320,bmse010290,1
23,covalent,SING,C15,C19,,,,,31320,bmse010290,1
24,covalent,SING,C16,C18,,,,,31320,bmse010290,1
25,covalent,SING,C16,C20,,,,,31320,bmse010290,1
26,covalent,SING,C17,O27,,,,,31320,bmse010290,1
27,covalent,SING,C18,O28,,,,,31320,bmse010290,1
28,covalent,DOUB,C19,O23,,,,,31320,bmse010290,1
29,covalent,SING,C19,O28,,,,,31320,bmse010290,1
30,covalent,DOUB,C20,O24,,,,,31320,bmse010290,1
31,covalent,SING,C20,O27,,,,,31320,bmse010290,1
32,covalent,SING,C1,H29,,,,,31320,bmse010290,1
33,covalent,SING,C1,H30,,,,,31320,bmse010290,1
34,covalent,SING,C1,H31,,,,,31320,bmse010290,1
35,covalent,SING,C2,H32,,,,,31320,bmse010290,1
36,covalent,SING,C2,H33,,,,,31320,bmse010290,1
37,covalent,SING,C2,H34,,,,,31320,bmse010290,1
38,covalent,SING,C3,H35,,,,,31320,bmse010290,1
39,covalent,SING,C4,H36,,,,,31320,bmse010290,1
40,covalent,SING,C5,H37,,,,,31320,bmse010290,1
41,covalent,SING,C6,H38,,,,,31320,bmse010290,1
42,covalent,SING,C7,H39,,,,,31320,bmse010290,1
43,covalent,SING,C8,H40,,,,,31320,bmse010290,1
44,covalent,SING,C15,H41,,,,,31320,bmse010290,1
45,covalent,SING,C16,H42,,,,,31320,bmse010290,1
46,covalent,SING,C17,H43,,,,,31320,bmse010290,1
47,covalent,SING,C18,H44,,,,,31320,bmse010290,1
48,covalent,SING,O21,H45,,,,,31320,bmse010290,1
49,covalent,SING,O22,H46,,,,,31320,bmse010290,1
1,covalent,SING,C1,O23,,,,,31340,bmse010291,1
2,covalent,DOUB,C2,C3,,,,,31340,bmse010291,1
3,covalent,SING,C2,C12,,,,,31340,bmse010291,1
4,covalent,SING,C3,C15,,,,,31340,bmse010291,1
5,covalent,SING,C4,C8,,,,,31340,bmse010291,1
6,covalent,DOUB,C4,C14,,,,,31340,bmse010291,1
7,covalent,DOUB,C5,C9,,,,,31340,bmse010291,1
8,covalent,SING,C5,C14,,,,,31340,bmse010291,1
9,covalent,DOUB,C6,C10,,,,,31340,bmse010291,1
10,covalent,SING,C6,C15,,,,,31340,bmse010291,1
11,covalent,DOUB,C7,C11,,,,,31340,bmse010291,1
12,covalent,SING,C7,C14,,,,,31340,bmse010291,1
13,covalent,DOUB,C8,C16,,,,,31340,bmse010291,1
14,covalent,SING,C9,C16,,,,,31340,bmse010291,1
15,covalent,SING,C10,C17,,,,,31340,bmse010291,1
16,covalent,SING,C11,C19,,,,,31340,bmse010291,1
17,covalent,SING,C12,O24,,,,,31340,bmse010291,1
18,covalent,DOUB,C13,C15,,,,,31340,bmse010291,1
19,covalent,SING,C13,C18,,,,,31340,bmse010291,1
20,covalent,SING,C16,O20,,,,,31340,bmse010291,1
21,covalent,DOUB,C17,C18,,,,,31340,bmse010291,1
22,covalent,SING,C17,O21,,,,,31340,bmse010291,1
23,covalent,SING,C18,O23,,,,,31340,bmse010291,1
24,covalent,DOUB,C19,O22,,,,,31340,bmse010291,1
25,covalent,SING,C19,O24,,,,,31340,bmse010291,1
26,covalent,SING,C1,H26,,,,,31340,bmse010291,1
27,covalent,SING,C1,H25,,,,,31340,bmse010291,1
28,covalent,SING,C1,H27,,,,,31340,bmse010291,1
29,covalent,SING,C2,H28,,,,,31340,bmse010291,1
30,covalent,SING,C3,H29,,,,,31340,bmse010291,1
31,covalent,SING,C4,H30,,,,,31340,bmse010291,1
32,covalent,SING,C5,H31,,,,,31340,bmse010291,1
33,covalent,SING,C6,H32,,,,,31340,bmse010291,1
34,covalent,SING,C7,H33,,,,,31340,bmse010291,1
35,covalent,SING,C8,H34,,,,,31340,bmse010291,1
36,covalent,SING,C9,H35,,,,,31340,bmse010291,1
37,covalent,SING,C10,H36,,,,,31340,bmse010291,1
38,covalent,SING,C11,H37,,,,,31340,bmse010291,1
39,covalent,SING,C12,H38,,,,,31340,bmse010291,1
40,covalent,SING,C12,H39,,,,,31340,bmse010291,1
41,covalent,SING,C13,H40,,,,,31340,bmse010291,1
42,covalent,SING,O20,H41,,,,,31340,bmse010291,1
43,covalent,SING,O21,H42,,,,,31340,bmse010291,1
1,covalent,SING,C1,C17,,,,,31360,bmse010292,1
2,covalent,SING,C2,C18,,,,,31360,bmse010292,1
3,covalent,SING,C3,C19,,,,,31360,bmse010292,1
4,covalent,SING,C4,C20,,,,,31360,bmse010292,1
5,covalent,SING,C5,O33,,,,,31360,bmse010292,1
6,covalent,SING,C6,O34,,,,,31360,bmse010292,1
7,covalent,DOUB,C7,C8,,,,,31360,bmse010292,1
8,covalent,SING,C7,C13,,,,,31360,bmse010292,1
9,covalent,SING,C8,C21,,,,,31360,bmse010292,1
10,covalent,DOUB,C9,C11,,,,,31360,bmse010292,1
11,covalent,SING,C9,C21,,,,,31360,bmse010292,1
12,covalent,DOUB,C10,C12,,,,,31360,bmse010292,1
13,covalent,SING,C10,C22,,,,,31360,bmse010292,1
14,covalent,SING,C11,C24,,,,,31360,bmse010292,1
15,covalent,SING,C12,C23,,,,,31360,bmse010292,1
16,covalent,SING,C13,O35,,,,,31360,bmse010292,1
17,covalent,DOUB,C14,C21,,,,,31360,bmse010292,1
18,covalent,SING,C14,C25,,,,,31360,bmse010292,1
19,covalent,DOUB,C15,C22,,,,,31360,bmse010292,1
20,covalent,SING,C15,C26,,,,,31360,bmse010292,1
21,covalent,SING,C16,C27,,,,,31360,bmse010292,1
22,covalent,SING,C16,O36,,,,,31360,bmse010292,1
23,covalent,DOUB,C17,O29,,,,,31360,bmse010292,1
24,covalent,SING,C17,O35,,,,,31360,bmse010292,1
25,covalent,DOUB,C18,O30,,,,,31360,bmse010292,1
26,covalent,SING,C18,O36,,,,,31360,bmse010292,1
27,covalent,DOUB,C19,O31,,,,,31360,bmse010292,1
28,covalent,SING,C19,O37,,,,,31360,bmse010292,1
29,covalent,DOUB,C20,O32,,,,,31360,bmse010292,1
30,covalent,SING,C20,O38,,,,,31360,bmse010292,1
31,covalent,SING,C22,C28,,,,,31360,bmse010292,1
32,covalent,DOUB,C23,C26,,,,,31360,bmse010292,1
33,covalent,SING,C23,O37,,,,,31360,bmse010292,1
34,covalent,DOUB,C24,C25,,,,,31360,bmse010292,1
35,covalent,SING,C24,O39,,,,,31360,bmse010292,1
36,covalent,SING,C25,O33,,,,,31360,bmse010292,1
37,covalent,SING,C26,O34,,,,,31360,bmse010292,1
38,covalent,SING,C27,C28,,,,,31360,bmse010292,1
39,covalent,SING,C27,O39,,,,,31360,bmse010292,1
40,covalent,SING,C28,O38,,,,,31360,bmse010292,1
41,covalent,SING,C1,H42,,,,,31360,bmse010292,1
42,covalent,SING,C1,H41,,,,,31360,bmse010292,1
43,covalent,SING,C1,H40,,,,,31360,bmse010292,1
44,covalent,SING,C2,H45,,,,,31360,bmse010292,1
45,covalent,SING,C2,H43,,,,,31360,bmse010292,1
46,covalent,SING,C2,H44,,,,,31360,bmse010292,1
47,covalent,SING,C3,H47,,,,,31360,bmse010292,1
48,covalent,SING,C3,H46,,,,,31360,bmse010292,1
49,covalent,SING,C3,H48,,,,,31360,bmse010292,1
50,covalent,SING,C4,H51,,,,,31360,bmse010292,1
51,covalent,SING,C4,H50,,,,,31360,bmse010292,1
52,covalent,SING,C4,H49,,,,,31360,bmse010292,1
53,covalent,SING,C5,H53,,,,,31360,bmse010292,1
54,covalent,SING,C5,H52,,,,,31360,bmse010292,1
55,covalent,SING,C5,H54,,,,,31360,bmse010292,1
56,covalent,SING,C6,H55,,,,,31360,bmse010292,1
57,covalent,SING,C6,H56,,,,,31360,bmse010292,1
58,covalent,SING,C6,H57,,,,,31360,bmse010292,1
59,covalent,SING,C7,H58,,,,,31360,bmse010292,1
60,covalent,SING,C8,H59,,,,,31360,bmse010292,1
61,covalent,SING,C9,H60,,,,,31360,bmse010292,1
62,covalent,SING,C10,H61,,,,,31360,bmse010292,1
63,covalent,SING,C11,H62,,,,,31360,bmse010292,1
64,covalent,SING,C12,H63,,,,,31360,bmse010292,1
65,covalent,SING,C13,H64,,,,,31360,bmse010292,1
66,covalent,SING,C13,H65,,,,,31360,bmse010292,1
67,covalent,SING,C14,H66,,,,,31360,bmse010292,1
68,covalent,SING,C15,H67,,,,,31360,bmse010292,1
69,covalent,SING,C16,H68,,,,,31360,bmse010292,1
70,covalent,SING,C16,H69,,,,,31360,bmse010292,1
71,covalent,SING,C27,H70,,,,,31360,bmse010292,1
72,covalent,SING,C28,H71,,,,,31360,bmse010292,1
1,covalent,SING,C1,C17,,,,,31380,bmse010293,1
2,covalent,SING,C2,C18,,,,,31380,bmse010293,1
3,covalent,SING,C3,C19,,,,,31380,bmse010293,1
4,covalent,SING,C4,C20,,,,,31380,bmse010293,1
5,covalent,SING,C5,O33,,,,,31380,bmse010293,1
6,covalent,SING,C6,O34,,,,,31380,bmse010293,1
7,covalent,DOUB,C7,C8,,,,,31380,bmse010293,1
8,covalent,SING,C7,C13,,,,,31380,bmse010293,1
9,covalent,SING,C8,C21,,,,,31380,bmse010293,1
10,covalent,DOUB,C9,C11,,,,,31380,bmse010293,1
11,covalent,SING,C9,C21,,,,,31380,bmse010293,1
12,covalent,DOUB,C10,C12,,,,,31380,bmse010293,1
13,covalent,SING,C10,C22,,,,,31380,bmse010293,1
14,covalent,SING,C11,C24,,,,,31380,bmse010293,1
15,covalent,SING,C12,C23,,,,,31380,bmse010293,1
16,covalent,SING,C13,O35,,,,,31380,bmse010293,1
17,covalent,DOUB,C14,C21,,,,,31380,bmse010293,1
18,covalent,SING,C14,C25,,,,,31380,bmse010293,1
19,covalent,DOUB,C15,C22,,,,,31380,bmse010293,1
20,covalent,SING,C15,C26,,,,,31380,bmse010293,1
21,covalent,SING,C16,C27,,,,,31380,bmse010293,1
22,covalent,SING,C16,O36,,,,,31380,bmse010293,1
23,covalent,DOUB,C17,O29,,,,,31380,bmse010293,1
24,covalent,SING,C17,O35,,,,,31380,bmse010293,1
25,covalent,DOUB,C18,O30,,,,,31380,bmse010293,1
26,covalent,SING,C18,O36,,,,,31380,bmse010293,1
27,covalent,DOUB,C19,O31,,,,,31380,bmse010293,1
28,covalent,SING,C19,O37,,,,,31380,bmse010293,1
29,covalent,DOUB,C20,O32,,,,,31380,bmse010293,1
30,covalent,SING,C20,O38,,,,,31380,bmse010293,1
31,covalent,SING,C22,C28,,,,,31380,bmse010293,1
32,covalent,DOUB,C23,C26,,,,,31380,bmse010293,1
33,covalent,SING,C23,O37,,,,,31380,bmse010293,1
34,covalent,DOUB,C24,C25,,,,,31380,bmse010293,1
35,covalent,SING,C24,O39,,,,,31380,bmse010293,1
36,covalent,SING,C25,O33,,,,,31380,bmse010293,1
37,covalent,SING,C26,O34,,,,,31380,bmse010293,1
38,covalent,SING,C27,C28,,,,,31380,bmse010293,1
39,covalent,SING,C27,O39,,,,,31380,bmse010293,1
40,covalent,SING,C28,O38,,,,,31380,bmse010293,1
41,covalent,SING,C1,H42,,,,,31380,bmse010293,1
42,covalent,SING,C1,H41,,,,,31380,bmse010293,1
43,covalent,SING,C1,H40,,,,,31380,bmse010293,1
44,covalent,SING,C2,H45,,,,,31380,bmse010293,1
45,covalent,SING,C2,H43,,,,,31380,bmse010293,1
46,covalent,SING,C2,H44,,,,,31380,bmse010293,1
47,covalent,SING,C3,H47,,,,,31380,bmse010293,1
48,covalent,SING,C3,H46,,,,,31380,bmse010293,1
49,covalent,SING,C3,H48,,,,,31380,bmse010293,1
50,covalent,SING,C4,H51,,,,,31380,bmse010293,1
51,covalent,SING,C4,H50,,,,,31380,bmse010293,1
52,covalent,SING,C4,H49,,,,,31380,bmse010293,1
53,covalent,SING,C5,H53,,,,,31380,bmse010293,1
54,covalent,SING,C5,H52,,,,,31380,bmse010293,1
55,covalent,SING,C5,H54,,,,,31380,bmse010293,1
56,covalent,SING,C6,H55,,,,,31380,bmse010293,1
57,covalent,SING,C6,H56,,,,,31380,bmse010293,1
58,covalent,SING,C6,H57,,,,,31380,bmse010293,1
59,covalent,SING,C7,H58,,,,,31380,bmse010293,1
60,covalent,SING,C8,H59,,,,,31380,bmse010293,1
61,covalent,SING,C9,H60,,,,,31380,bmse010293,1
62,covalent,SING,C10,H61,,,,,31380,bmse010293,1
63,covalent,SING,C11,H62,,,,,31380,bmse010293,1
64,covalent,SING,C12,H63,,,,,31380,bmse010293,1
65,covalent,SING,C13,H64,,,,,31380,bmse010293,1
66,covalent,SING,C13,H65,,,,,31380,bmse010293,1
67,covalent,SING,C14,H66,,,,,31380,bmse010293,1
68,covalent,SING,C15,H67,,,,,31380,bmse010293,1
69,covalent,SING,C16,H68,,,,,31380,bmse010293,1
70,covalent,SING,C16,H69,,,,,31380,bmse010293,1
71,covalent,SING,C27,H70,,,,,31380,bmse010293,1
72,covalent,SING,C28,H71,,,,,31380,bmse010293,1
1,covalent,SING,C1,O35,,,,,31400,bmse010294,1
2,covalent,SING,C2,O36,,,,,31400,bmse010294,1
3,covalent,SING,C3,O37,,,,,31400,bmse010294,1
4,covalent,DOUB,C4,C6,,,,,31400,bmse010294,1
5,covalent,SING,C4,C14,,,,,31400,bmse010294,1
6,covalent,DOUB,C5,C7,,,,,31400,bmse010294,1
7,covalent,SING,C5,C15,,,,,31400,bmse010294,1
8,covalent,SING,C6,C20,,,,,31400,bmse010294,1
9,covalent,SING,C7,C21,,,,,31400,bmse010294,1
10,covalent,DOUB,C8,C12,,,,,31400,bmse010294,1
11,covalent,SING,C8,C20,,,,,31400,bmse010294,1
12,covalent,DOUB,C9,C13,,,,,31400,bmse010294,1
13,covalent,SING,C9,C21,,,,,31400,bmse010294,1
14,covalent,DOUB,C10,C11,,,,,31400,bmse010294,1
15,covalent,SING,C10,C22,,,,,31400,bmse010294,1
16,covalent,SING,C11,C23,,,,,31400,bmse010294,1
17,covalent,SING,C12,C24,,,,,31400,bmse010294,1
18,covalent,SING,C13,C25,,,,,31400,bmse010294,1
19,covalent,SING,C14,O31,,,,,31400,bmse010294,1
20,covalent,SING,C15,O32,,,,,31400,bmse010294,1
21,covalent,DOUB,C16,C20,,,,,31400,bmse010294,1
22,covalent,SING,C16,C27,,,,,31400,bmse010294,1
23,covalent,DOUB,C17,C21,,,,,31400,bmse010294,1
24,covalent,SING,C17,C28,,,,,31400,bmse010294,1
25,covalent,DOUB,C18,C22,,,,,31400,bmse010294,1
26,covalent,SING,C18,C26,,,,,31400,bmse010294,1
27,covalent,SING,C19,C29,,,,,31400,bmse010294,1
28,covalent,SING,C19,O33,,,,,31400,bmse010294,1
29,covalent,SING,C22,C30,,,,,31400,bmse010294,1
30,covalent,DOUB,C23,C26,,,,,31400,bmse010294,1
31,covalent,SING,C23,O34,,,,,31400,bmse010294,1
32,covalent,DOUB,C24,C27,,,,,31400,bmse010294,1
33,covalent,SING,C24,O38,,,,,31400,bmse010294,1
34,covalent,DOUB,C25,C28,,,,,31400,bmse010294,1
35,covalent,SING,C25,O39,,,,,31400,bmse010294,1
36,covalent,SING,C26,O35,,,,,31400,bmse010294,1
37,covalent,SING,C27,O36,,,,,31400,bmse010294,1
38,covalent,SING,C28,O37,,,,,31400,bmse010294,1
39,covalent,SING,C29,C30,,,,,31400,bmse010294,1
40,covalent,SING,C29,O38,,,,,31400,bmse010294,1
41,covalent,SING,C30,O39,,,,,31400,bmse010294,1
42,covalent,SING,C1,H40,,,,,31400,bmse010294,1
43,covalent,SING,C1,H42,,,,,31400,bmse010294,1
44,covalent,SING,C1,H41,,,,,31400,bmse010294,1
45,covalent,SING,C2,H45,,,,,31400,bmse010294,1
46,covalent,SING,C2,H44,,,,,31400,bmse010294,1
47,covalent,SING,C2,H43,,,,,31400,bmse010294,1
48,covalent,SING,C3,H46,,,,,31400,bmse010294,1
49,covalent,SING,C3,H48,,,,,31400,bmse010294,1
50,covalent,SING,C3,H47,,,,,31400,bmse010294,1
51,covalent,SING,C4,H49,,,,,31400,bmse010294,1
52,covalent,SING,C5,H50,,,,,31400,bmse010294,1
53,covalent,SING,C6,H51,,,,,31400,bmse010294,1
54,covalent,SING,C7,H52,,,,,31400,bmse010294,1
55,covalent,SING,C8,H53,,,,,31400,bmse010294,1
56,covalent,SING,C9,H54,,,,,31400,bmse010294,1
57,covalent,SING,C10,H55,,,,,31400,bmse010294,1
58,covalent,SING,C11,H56,,,,,31400,bmse010294,1
59,covalent,SING,C12,H57,,,,,31400,bmse010294,1
60,covalent,SING,C13,H58,,,,,31400,bmse010294,1
61,covalent,SING,C14,H59,,,,,31400,bmse010294,1
62,covalent,SING,C14,H60,,,,,31400,bmse010294,1
63,covalent,SING,C15,H61,,,,,31400,bmse010294,1
64,covalent,SING,C15,H62,,,,,31400,bmse010294,1
65,covalent,SING,C16,H63,,,,,31400,bmse010294,1
66,covalent,SING,C17,H64,,,,,31400,bmse010294,1
67,covalent,SING,C18,H65,,,,,31400,bmse010294,1
68,covalent,SING,C19,H66,,,,,31400,bmse010294,1
69,covalent,SING,C19,H67,,,,,31400,bmse010294,1
70,covalent,SING,C29,H68,,,,,31400,bmse010294,1
71,covalent,SING,C30,H69,,,,,31400,bmse010294,1
72,covalent,SING,O31,H70,,,,,31400,bmse010294,1
73,covalent,SING,O32,H71,,,,,31400,bmse010294,1
74,covalent,SING,O33,H72,,,,,31400,bmse010294,1
75,covalent,SING,O34,H73,,,,,31400,bmse010294,1
1,covalent,SING,C1,C8,,,,,31420,bmse010295,1
2,covalent,SING,C2,C24,,,,,31420,bmse010295,1
3,covalent,SING,C3,C25,,,,,31420,bmse010295,1
4,covalent,SING,C4,C26,,,,,31420,bmse010295,1
5,covalent,SING,C5,O43,,,,,31420,bmse010295,1
6,covalent,SING,C6,O44,,,,,31420,bmse010295,1
7,covalent,SING,C7,O45,,,,,31420,bmse010295,1
8,covalent,SING,C8,O46,,,,,31420,bmse010295,1
9,covalent,DOUB,C9,C10,,,,,31420,bmse010295,1
10,covalent,SING,C9,C19,,,,,31420,bmse010295,1
11,covalent,SING,C10,C27,,,,,31420,bmse010295,1
12,covalent,DOUB,C11,C15,,,,,31420,bmse010295,1
13,covalent,SING,C11,C27,,,,,31420,bmse010295,1
14,covalent,DOUB,C12,C16,,,,,31420,bmse010295,1
15,covalent,SING,C12,C28,,,,,31420,bmse010295,1
16,covalent,DOUB,C13,C18,,,,,31420,bmse010295,1
17,covalent,SING,C13,C28,,,,,31420,bmse010295,1
18,covalent,DOUB,C14,C17,,,,,31420,bmse010295,1
19,covalent,SING,C14,C29,,,,,31420,bmse010295,1
20,covalent,SING,C15,C31,,,,,31420,bmse010295,1
21,covalent,SING,C16,C32,,,,,31420,bmse010295,1
22,covalent,SING,C17,C30,,,,,31420,bmse010295,1
23,covalent,SING,C18,C37,,,,,31420,bmse010295,1
24,covalent,SING,C19,O47,,,,,31420,bmse010295,1
25,covalent,DOUB,C20,C27,,,,,31420,bmse010295,1
26,covalent,SING,C20,C33,,,,,31420,bmse010295,1
27,covalent,DOUB,C21,C28,,,,,31420,bmse010295,1
28,covalent,SING,C21,C34,,,,,31420,bmse010295,1
29,covalent,DOUB,C22,C29,,,,,31420,bmse010295,1
30,covalent,SING,C22,C35,,,,,31420,bmse010295,1
31,covalent,SING,C23,C36,,,,,31420,bmse010295,1
32,covalent,SING,C23,O48,,,,,31420,bmse010295,1
33,covalent,DOUB,C24,O39,,,,,31420,bmse010295,1
34,covalent,SING,C24,O47,,,,,31420,bmse010295,1
35,covalent,DOUB,C25,O40,,,,,31420,bmse010295,1
36,covalent,SING,C25,O48,,,,,31420,bmse010295,1
37,covalent,DOUB,C26,O41,,,,,31420,bmse010295,1
38,covalent,SING,C26,O49,,,,,31420,bmse010295,1
39,covalent,SING,C29,C38,,,,,31420,bmse010295,1
40,covalent,DOUB,C30,C35,,,,,31420,bmse010295,1
41,covalent,SING,C30,O49,,,,,31420,bmse010295,1
42,covalent,DOUB,C31,C33,,,,,31420,bmse010295,1
43,covalent,SING,C31,O50,,,,,31420,bmse010295,1
44,covalent,DOUB,C32,C34,,,,,31420,bmse010295,1
45,covalent,SING,C32,O51,,,,,31420,bmse010295,1
46,covalent,SING,C33,O43,,,,,31420,bmse010295,1
47,covalent,SING,C34,O44,,,,,31420,bmse010295,1
48,covalent,SING,C35,O45,,,,,31420,bmse010295,1
49,covalent,SING,C36,C38,,,,,31420,bmse010295,1
50,covalent,SING,C36,O50,,,,,31420,bmse010295,1
51,covalent,DOUB,C37,O42,,,,,31420,bmse010295,1
52,covalent,SING,C37,O46,,,,,31420,bmse010295,1
53,covalent,SING,C38,O51,,,,,31420,bmse010295,1
54,covalent,SING,C1,H52,,,,,31420,bmse010295,1
55,covalent,SING,C1,H53,,,,,31420,bmse010295,1
56,covalent,SING,C1,H54,,,,,31420,bmse010295,1
57,covalent,SING,C2,H55,,,,,31420,bmse010295,1
58,covalent,SING,C2,H56,,,,,31420,bmse010295,1
59,covalent,SING,C2,H57,,,,,31420,bmse010295,1
60,covalent,SING,C3,H58,,,,,31420,bmse010295,1
61,covalent,SING,C3,H59,,,,,31420,bmse010295,1
62,covalent,SING,C3,H60,,,,,31420,bmse010295,1
63,covalent,SING,C4,H61,,,,,31420,bmse010295,1
64,covalent,SING,C4,H62,,,,,31420,bmse010295,1
65,covalent,SING,C4,H63,,,,,31420,bmse010295,1
66,covalent,SING,C5,H64,,,,,31420,bmse010295,1
67,covalent,SING,C5,H65,,,,,31420,bmse010295,1
68,covalent,SING,C5,H66,,,,,31420,bmse010295,1
69,covalent,SING,C6,H67,,,,,31420,bmse010295,1
70,covalent,SING,C6,H68,,,,,31420,bmse010295,1
71,covalent,SING,C6,H69,,,,,31420,bmse010295,1
72,covalent,SING,C7,H70,,,,,31420,bmse010295,1
73,covalent,SING,C7,H71,,,,,31420,bmse010295,1
74,covalent,SING,C7,H72,,,,,31420,bmse010295,1
75,covalent,SING,C8,H73,,,,,31420,bmse010295,1
76,covalent,SING,C8,H74,,,,,31420,bmse010295,1
77,covalent,SING,C9,H75,,,,,31420,bmse010295,1
78,covalent,SING,C10,H76,,,,,31420,bmse010295,1
79,covalent,SING,C11,H77,,,,,31420,bmse010295,1
80,covalent,SING,C12,H78,,,,,31420,bmse010295,1
81,covalent,SING,C13,H79,,,,,31420,bmse010295,1
82,covalent,SING,C14,H80,,,,,31420,bmse010295,1
83,covalent,SING,C15,H81,,,,,31420,bmse010295,1
84,covalent,SING,C16,H82,,,,,31420,bmse010295,1
85,covalent,SING,C17,H83,,,,,31420,bmse010295,1
86,covalent,SING,C18,H84,,,,,31420,bmse010295,1
87,covalent,SING,C19,H85,,,,,31420,bmse010295,1
88,covalent,SING,C19,H86,,,,,31420,bmse010295,1
89,covalent,SING,C20,H87,,,,,31420,bmse010295,1
90,covalent,SING,C21,H88,,,,,31420,bmse010295,1
91,covalent,SING,C22,H89,,,,,31420,bmse010295,1
92,covalent,SING,C23,H90,,,,,31420,bmse010295,1
93,covalent,SING,C23,H91,,,,,31420,bmse010295,1
94,covalent,SING,C36,H92,,,,,31420,bmse010295,1
95,covalent,SING,C38,H93,,,,,31420,bmse010295,1
1,covalent,SING,C1,O26,,,,,31440,bmse010296,1
2,covalent,SING,C2,O27,,,,,31440,bmse010296,1
3,covalent,DOUB,C3,C6,,,,,31440,bmse010296,1
4,covalent,SING,C3,C10,,,,,31440,bmse010296,1
5,covalent,DOUB,C4,C5,,,,,31440,bmse010296,1
6,covalent,SING,C4,C11,,,,,31440,bmse010296,1
7,covalent,SING,C5,C13,,,,,31440,bmse010296,1
8,covalent,SING,C6,C16,,,,,31440,bmse010296,1
9,covalent,DOUB,C7,C10,,,,,31440,bmse010296,1
10,covalent,SING,C7,C12,,,,,31440,bmse010296,1
11,covalent,SING,C8,C10,,,,,31440,bmse010296,1
12,covalent,DOUB,C8,C15,,,,,31440,bmse010296,1
13,covalent,DOUB,C9,C11,,,,,31440,bmse010296,1
14,covalent,SING,C9,C14,,,,,31440,bmse010296,1
15,covalent,SING,C11,C18,,,,,31440,bmse010296,1
16,covalent,SING,C12,C17,,,,,31440,bmse010296,1
17,covalent,DOUB,C12,C19,,,,,31440,bmse010296,1
18,covalent,DOUB,C13,C14,,,,,31440,bmse010296,1
19,covalent,SING,C13,O21,,,,,31440,bmse010296,1
20,covalent,SING,C14,O26,,,,,31440,bmse010296,1
21,covalent,SING,C15,C19,,,,,31440,bmse010296,1
22,covalent,SING,C15,O27,,,,,31440,bmse010296,1
23,covalent,SING,C16,O22,,,,,31440,bmse010296,1
24,covalent,DOUB,C16,O23,,,,,31440,bmse010296,1
25,covalent,SING,C17,C18,,,,,31440,bmse010296,1
26,covalent,SING,C17,C20,,,,,31440,bmse010296,1
27,covalent,SING,C18,O28,,,,,31440,bmse010296,1
28,covalent,SING,C19,O28,,,,,31440,bmse010296,1
29,covalent,SING,C20,O24,,,,,31440,bmse010296,1
30,covalent,DOUB,C20,O25,,,,,31440,bmse010296,1
31,covalent,SING,C1,H29,,,,,31440,bmse010296,1
32,covalent,SING,C1,H30,,,,,31440,bmse010296,1
33,covalent,SING,C1,H31,,,,,31440,bmse010296,1
34,covalent,SING,C2,H32,,,,,31440,bmse010296,1
35,covalent,SING,C2,H33,,,,,31440,bmse010296,1
36,covalent,SING,C2,H34,,,,,31440,bmse010296,1
37,covalent,SING,C3,H35,,,,,31440,bmse010296,1
38,covalent,SING,C4,H36,,,,,31440,bmse010296,1
39,covalent,SING,C5,H37,,,,,31440,bmse010296,1
40,covalent,SING,C6,H38,,,,,31440,bmse010296,1
41,covalent,SING,C7,H39,,,,,31440,bmse010296,1
42,covalent,SING,C8,H40,,,,,31440,bmse010296,1
43,covalent,SING,C9,H41,,,,,31440,bmse010296,1
44,covalent,SING,C17,H42,,,,,31440,bmse010296,1
45,covalent,SING,C18,H43,,,,,31440,bmse010296,1
46,covalent,SING,O21,H44,,,,,31440,bmse010296,1
47,covalent,SING,O22,H45,,,,,31440,bmse010296,1
48,covalent,SING,O24,H46,,,,,31440,bmse010296,1
1,covalent,SING,C1,O23,,,,,31460,bmse010297,1
2,covalent,SING,C2,O24,,,,,31460,bmse010297,1
3,covalent,DOUB,C3,C5,,,,,31460,bmse010297,1
4,covalent,SING,C3,C11,,,,,31460,bmse010297,1
5,covalent,DOUB,C4,C6,,,,,31460,bmse010297,1
6,covalent,SING,C4,C12,,,,,31460,bmse010297,1
7,covalent,SING,C5,C15,,,,,31460,bmse010297,1
8,covalent,SING,C6,C16,,,,,31460,bmse010297,1
9,covalent,DOUB,C7,C11,,,,,31460,bmse010297,1
10,covalent,SING,C7,C17,,,,,31460,bmse010297,1
11,covalent,DOUB,C8,C12,,,,,31460,bmse010297,1
12,covalent,SING,C8,C18,,,,,31460,bmse010297,1
13,covalent,SING,C9,C13,,,,,31460,bmse010297,1
14,covalent,SING,C9,O26,,,,,31460,bmse010297,1
15,covalent,SING,C10,C14,,,,,31460,bmse010297,1
16,covalent,SING,C10,O25,,,,,31460,bmse010297,1
17,covalent,SING,C11,C19,,,,,31460,bmse010297,1
18,covalent,SING,C12,C20,,,,,31460,bmse010297,1
19,covalent,SING,C13,C14,,,,,31460,bmse010297,1
20,covalent,SING,C13,C19,,,,,31460,bmse010297,1
21,covalent,SING,C14,C20,,,,,31460,bmse010297,1
22,covalent,DOUB,C15,C17,,,,,31460,bmse010297,1
23,covalent,SING,C15,O21,,,,,31460,bmse010297,1
24,covalent,DOUB,C16,C18,,,,,31460,bmse010297,1
25,covalent,SING,C16,O22,,,,,31460,bmse010297,1
26,covalent,SING,C17,O23,,,,,31460,bmse010297,1
27,covalent,SING,C18,O24,,,,,31460,bmse010297,1
28,covalent,SING,C19,O25,,,,,31460,bmse010297,1
29,covalent,SING,C20,O26,,,,,31460,bmse010297,1
30,covalent,SING,C1,H27,,,,,31460,bmse010297,1
31,covalent,SING,C1,H28,,,,,31460,bmse010297,1
32,covalent,SING,C1,H29,,,,,31460,bmse010297,1
33,covalent,SING,C2,H32,,,,,31460,bmse010297,1
34,covalent,SING,C2,H31,,,,,31460,bmse010297,1
35,covalent,SING,C2,H30,,,,,31460,bmse010297,1
36,covalent,SING,C3,H33,,,,,31460,bmse010297,1
37,covalent,SING,C4,H34,,,,,31460,bmse010297,1
38,covalent,SING,C5,H35,,,,,31460,bmse010297,1
39,covalent,SING,C6,H36,,,,,31460,bmse010297,1
40,covalent,SING,C7,H37,,,,,31460,bmse010297,1
41,covalent,SING,C8,H38,,,,,31460,bmse010297,1
42,covalent,SING,C9,H39,,,,,31460,bmse010297,1
43,covalent,SING,C9,H40,,,,,31460,bmse010297,1
44,covalent,SING,C10,H41,,,,,31460,bmse010297,1
45,covalent,SING,C10,H42,,,,,31460,bmse010297,1
46,covalent,SING,C13,H43,,,,,31460,bmse010297,1
47,covalent,SING,C14,H44,,,,,31460,bmse010297,1
48,covalent,SING,C19,H45,,,,,31460,bmse010297,1
49,covalent,SING,C20,H46,,,,,31460,bmse010297,1
50,covalent,SING,O21,H47,,,,,31460,bmse010297,1
51,covalent,SING,O22,H48,,,,,31460,bmse010297,1
1,covalent,SING,C1,C24,,,,,31480,bmse010298,1
2,covalent,SING,C2,C25,,,,,31480,bmse010298,1
3,covalent,SING,C3,C26,,,,,31480,bmse010298,1
4,covalent,SING,C4,C27,,,,,31480,bmse010298,1
5,covalent,SING,C5,O43,,,,,31480,bmse010298,1
6,covalent,SING,C6,O44,,,,,31480,bmse010298,1
7,covalent,SING,C7,O45,,,,,31480,bmse010298,1
8,covalent,DOUB,C8,C10,,,,,31480,bmse010298,1
9,covalent,SING,C8,C18,,,,,31480,bmse010298,1
10,covalent,DOUB,C9,C11,,,,,31480,bmse010298,1
11,covalent,SING,C9,C19,,,,,31480,bmse010298,1
12,covalent,SING,C10,C28,,,,,31480,bmse010298,1
13,covalent,SING,C11,C29,,,,,31480,bmse010298,1
14,covalent,DOUB,C12,C15,,,,,31480,bmse010298,1
15,covalent,SING,C12,C28,,,,,31480,bmse010298,1
16,covalent,DOUB,C13,C16,,,,,31480,bmse010298,1
17,covalent,SING,C13,C29,,,,,31480,bmse010298,1
18,covalent,DOUB,C14,C17,,,,,31480,bmse010298,1
19,covalent,SING,C14,C30,,,,,31480,bmse010298,1
20,covalent,SING,C15,C32,,,,,31480,bmse010298,1
21,covalent,SING,C16,C33,,,,,31480,bmse010298,1
22,covalent,SING,C17,C31,,,,,31480,bmse010298,1
23,covalent,SING,C18,O46,,,,,31480,bmse010298,1
24,covalent,SING,C19,O47,,,,,31480,bmse010298,1
25,covalent,DOUB,C20,C28,,,,,31480,bmse010298,1
26,covalent,SING,C20,C34,,,,,31480,bmse010298,1
27,covalent,DOUB,C21,C29,,,,,31480,bmse010298,1
28,covalent,SING,C21,C35,,,,,31480,bmse010298,1
29,covalent,DOUB,C22,C30,,,,,31480,bmse010298,1
30,covalent,SING,C22,C36,,,,,31480,bmse010298,1
31,covalent,SING,C23,C37,,,,,31480,bmse010298,1
32,covalent,SING,C23,O48,,,,,31480,bmse010298,1
33,covalent,DOUB,C24,O39,,,,,31480,bmse010298,1
34,covalent,SING,C24,O46,,,,,31480,bmse010298,1
35,covalent,DOUB,C25,O40,,,,,31480,bmse010298,1
36,covalent,SING,C25,O47,,,,,31480,bmse010298,1
37,covalent,DOUB,C26,O41,,,,,31480,bmse010298,1
38,covalent,SING,C26,O48,,,,,31480,bmse010298,1
39,covalent,DOUB,C27,O42,,,,,31480,bmse010298,1
40,covalent,SING,C27,O49,,,,,31480,bmse010298,1
41,covalent,SING,C30,C38,,,,,31480,bmse010298,1
42,covalent,DOUB,C31,C36,,,,,31480,bmse010298,1
43,covalent,SING,C31,O49,,,,,31480,bmse010298,1
44,covalent,DOUB,C32,C34,,,,,31480,bmse010298,1
45,covalent,SING,C32,O50,,,,,31480,bmse010298,1
46,covalent,DOUB,C33,C35,,,,,31480,bmse010298,1
47,covalent,SING,C33,O51,,,,,31480,bmse010298,1
48,covalent,SING,C34,O43,,,,,31480,bmse010298,1
49,covalent,SING,C35,O44,,,,,31480,bmse010298,1
50,covalent,SING,C36,O45,,,,,31480,bmse010298,1
51,covalent,SING,C37,C38,,,,,31480,bmse010298,1
52,covalent,SING,C37,O50,,,,,31480,bmse010298,1
53,covalent,SING,C38,O51,,,,,31480,bmse010298,1
54,covalent,SING,C1,H54,,,,,31480,bmse010298,1
55,covalent,SING,C1,H53,,,,,31480,bmse010298,1
56,covalent,SING,C1,H52,,,,,31480,bmse010298,1
57,covalent,SING,C2,H55,,,,,31480,bmse010298,1
58,covalent,SING,C2,H57,,,,,31480,bmse010298,1
59,covalent,SING,C2,H56,,,,,31480,bmse010298,1
60,covalent,SING,C3,H60,,,,,31480,bmse010298,1
61,covalent,SING,C3,H59,,,,,31480,bmse010298,1
62,covalent,SING,C3,H58,,,,,31480,bmse010298,1
63,covalent,SING,C4,H63,,,,,31480,bmse010298,1
64,covalent,SING,C4,H61,,,,,31480,bmse010298,1
65,covalent,SING,C4,H62,,,,,31480,bmse010298,1
66,covalent,SING,C5,H66,,,,,31480,bmse010298,1
67,covalent,SING,C5,H65,,,,,31480,bmse010298,1
68,covalent,SING,C5,H64,,,,,31480,bmse010298,1
69,covalent,SING,C6,H68,,,,,31480,bmse010298,1
70,covalent,SING,C6,H67,,,,,31480,bmse010298,1
71,covalent,SING,C6,H69,,,,,31480,bmse010298,1
72,covalent,SING,C7,H70,,,,,31480,bmse010298,1
73,covalent,SING,C7,H71,,,,,31480,bmse010298,1
74,covalent,SING,C7,H72,,,,,31480,bmse010298,1
75,covalent,SING,C8,H73,,,,,31480,bmse010298,1
76,covalent,SING,C9,H74,,,,,31480,bmse010298,1
77,covalent,SING,C10,H75,,,,,31480,bmse010298,1
78,covalent,SING,C11,H76,,,,,31480,bmse010298,1
79,covalent,SING,C12,H77,,,,,31480,bmse010298,1
80,covalent,SING,C13,H78,,,,,31480,bmse010298,1
81,covalent,SING,C14,H79,,,,,31480,bmse010298,1
82,covalent,SING,C15,H80,,,,,31480,bmse010298,1
83,covalent,SING,C16,H81,,,,,31480,bmse010298,1
84,covalent,SING,C17,H82,,,,,31480,bmse010298,1
85,covalent,SING,C18,H83,,,,,31480,bmse010298,1
86,covalent,SING,C18,H84,,,,,31480,bmse010298,1
87,covalent,SING,C19,H85,,,,,31480,bmse010298,1
88,covalent,SING,C19,H86,,,,,31480,bmse010298,1
89,covalent,SING,C20,H87,,,,,31480,bmse010298,1
90,covalent,SING,C21,H88,,,,,31480,bmse010298,1
91,covalent,SING,C22,H89,,,,,31480,bmse010298,1
92,covalent,SING,C23,H90,,,,,31480,bmse010298,1
93,covalent,SING,C23,H91,,,,,31480,bmse010298,1
94,covalent,SING,C37,H92,,,,,31480,bmse010298,1
95,covalent,SING,C38,H93,,,,,31480,bmse010298,1
1,covalent,SING,C1,O24,,,,,31500,bmse010299,1
2,covalent,SING,C2,O25,,,,,31500,bmse010299,1
3,covalent,DOUB,C3,C4,,,,,31500,bmse010299,1
4,covalent,SING,C3,C8,,,,,31500,bmse010299,1
5,covalent,SING,C4,C11,,,,,31500,bmse010299,1
6,covalent,DOUB,C5,C8,,,,,31500,bmse010299,1
7,covalent,SING,C5,C13,,,,,31500,bmse010299,1
8,covalent,DOUB,C6,C9,,,,,31500,bmse010299,1
9,covalent,SING,C6,C12,,,,,31500,bmse010299,1
10,covalent,DOUB,C7,C10,,,,,31500,bmse010299,1
11,covalent,SING,C7,C14,,,,,31500,bmse010299,1
12,covalent,SING,C17,C8,,,,,31500,bmse010299,1
13,covalent,SING,C9,C10,,,,,31500,bmse010299,1
14,covalent,SING,C9,C18,,,,,31500,bmse010299,1
15,covalent,SING,C10,C19,,,,,31500,bmse010299,1
16,covalent,DOUB,C11,C13,,,,,31500,bmse010299,1
17,covalent,SING,C11,O21,,,,,31500,bmse010299,1
18,covalent,DOUB,C12,C14,,,,,31500,bmse010299,1
19,covalent,SING,C12,O22,,,,,31500,bmse010299,1
20,covalent,SING,C13,O24,,,,,31500,bmse010299,1
21,covalent,SING,C14,O25,,,,,31500,bmse010299,1
22,covalent,SING,C15,C16,,,,,31500,bmse010299,1
23,covalent,SING,C15,C18,,,,,31500,bmse010299,1
24,covalent,SING,C15,C19,,,,,31500,bmse010299,1
25,covalent,SING,C16,C17,,,,,31500,bmse010299,1
26,covalent,SING,C16,C20,,,,,31500,bmse010299,1
27,covalent,SING,C17,O26,,,,,31500,bmse010299,1
28,covalent,SING,C18,O26,,,,,31500,bmse010299,1
29,covalent,SING,C19,O27,,,,,31500,bmse010299,1
30,covalent,DOUB,C20,O23,,,,,31500,bmse010299,1
31,covalent,SING,C20,O27,,,,,31500,bmse010299,1
32,covalent,SING,C1,H28,,,,,31500,bmse010299,1
33,covalent,SING,C1,H29,,,,,31500,bmse010299,1
34,covalent,SING,C1,H30,,,,,31500,bmse010299,1
35,covalent,SING,C2,H31,,,,,31500,bmse010299,1
36,covalent,SING,C2,H32,,,,,31500,bmse010299,1
37,covalent,SING,C2,H33,,,,,31500,bmse010299,1
38,covalent,SING,C3,H34,,,,,31500,bmse010299,1
39,covalent,SING,C4,H35,,,,,31500,bmse010299,1
40,covalent,SING,C5,H36,,,,,31500,bmse010299,1
41,covalent,SING,C6,H37,,,,,31500,bmse010299,1
42,covalent,SING,C7,H38,,,,,31500,bmse010299,1
43,covalent,SING,C15,H39,,,,,31500,bmse010299,1
44,covalent,SING,C16,H40,,,,,31500,bmse010299,1
45,covalent,SING,C17,H41,,,,,31500,bmse010299,1
46,covalent,SING,C18,H42,,,,,31500,bmse010299,1
47,covalent,SING,C19,H43,,,,,31500,bmse010299,1
48,covalent,SING,O21,H44,,,,,31500,bmse010299,1
49,covalent,SING,O22,H45,,,,,31500,bmse010299,1
1,covalent,SING,C1,O27,,,,,31520,bmse010300,1
2,covalent,SING,C2,O28,,,,,31520,bmse010300,1
3,covalent,DOUB,C3,C5,,,,,31520,bmse010300,1
4,covalent,SING,C3,C11,,,,,31520,bmse010300,1
5,covalent,DOUB,C4,C6,,,,,31520,bmse010300,1
6,covalent,SING,C4,C12,,,,,31520,bmse010300,1
7,covalent,SING,C5,C15,,,,,31520,bmse010300,1
8,covalent,SING,C6,C16,,,,,31520,bmse010300,1
9,covalent,SING,C7,C11,,,,,31520,bmse010300,1
10,covalent,DOUB,C7,C13,,,,,31520,bmse010300,1
11,covalent,SING,C8,C12,,,,,31520,bmse010300,1
12,covalent,DOUB,C8,C14,,,,,31520,bmse010300,1
13,covalent,DOUB,C9,C11,,,,,31520,bmse010300,1
14,covalent,SING,C9,C17,,,,,31520,bmse010300,1
15,covalent,DOUB,C10,C12,,,,,31520,bmse010300,1
16,covalent,SING,C10,C18,,,,,31520,bmse010300,1
17,covalent,SING,C13,C14,,,,,31520,bmse010300,1
18,covalent,SING,C13,C19,,,,,31520,bmse010300,1
19,covalent,SING,C14,C20,,,,,31520,bmse010300,1
20,covalent,DOUB,C15,C17,,,,,31520,bmse010300,1
21,covalent,SING,C15,O21,,,,,31520,bmse010300,1
22,covalent,DOUB,C16,C18,,,,,31520,bmse010300,1
23,covalent,SING,C16,O22,,,,,31520,bmse010300,1
24,covalent,SING,C17,O27,,,,,31520,bmse010300,1
25,covalent,SING,C18,O28,,,,,31520,bmse010300,1
26,covalent,SING,C19,O23,,,,,31520,bmse010300,1
27,covalent,DOUB,C19,O24,,,,,31520,bmse010300,1
28,covalent,SING,C20,O25,,,,,31520,bmse010300,1
29,covalent,DOUB,C20,O26,,,,,31520,bmse010300,1
30,covalent,SING,C1,H30,,,,,31520,bmse010300,1
31,covalent,SING,C1,H31,,,,,31520,bmse010300,1
32,covalent,SING,C1,H29,,,,,31520,bmse010300,1
33,covalent,SING,C2,H33,,,,,31520,bmse010300,1
34,covalent,SING,C2,H34,,,,,31520,bmse010300,1
35,covalent,SING,C2,H32,,,,,31520,bmse010300,1
36,covalent,SING,C3,H35,,,,,31520,bmse010300,1
37,covalent,SING,C4,H36,,,,,31520,bmse010300,1
38,covalent,SING,C5,H37,,,,,31520,bmse010300,1
39,covalent,SING,C6,H38,,,,,31520,bmse010300,1
40,covalent,SING,C7,H39,,,,,31520,bmse010300,1
41,covalent,SING,C8,H40,,,,,31520,bmse010300,1
42,covalent,SING,C9,H41,,,,,31520,bmse010300,1
43,covalent,SING,C10,H42,,,,,31520,bmse010300,1
44,covalent,SING,O21,H43,,,,,31520,bmse010300,1
45,covalent,SING,O22,H44,,,,,31520,bmse010300,1
46,covalent,SING,O23,H45,,,,,31520,bmse010300,1
47,covalent,SING,O25,H46,,,,,31520,bmse010300,1
1,covalent,SING,C1,O27,,,,,31537,bmse010301,1
2,covalent,SING,C2,O28,,,,,31537,bmse010301,1
3,covalent,SING,C3,O29,,,,,31537,bmse010301,1
4,covalent,DOUB,C4,C6,,,,,31537,bmse010301,1
5,covalent,SING,C4,C12,,,,,31537,bmse010301,1
6,covalent,DOUB,C5,C7,,,,,31537,bmse010301,1
7,covalent,SING,C5,C13,,,,,31537,bmse010301,1
8,covalent,SING,C6,C16,,,,,31537,bmse010301,1
9,covalent,SING,C7,C17,,,,,31537,bmse010301,1
10,covalent,SING,C8,C12,,,,,31537,bmse010301,1
11,covalent,DOUB,C8,C14,,,,,31537,bmse010301,1
12,covalent,SING,C9,C13,,,,,31537,bmse010301,1
13,covalent,DOUB,C9,C15,,,,,31537,bmse010301,1
14,covalent,DOUB,C10,C12,,,,,31537,bmse010301,1
15,covalent,SING,C10,C18,,,,,31537,bmse010301,1
16,covalent,DOUB,C11,C13,,,,,31537,bmse010301,1
17,covalent,SING,C11,C19,,,,,31537,bmse010301,1
18,covalent,SING,C14,C15,,,,,31537,bmse010301,1
19,covalent,SING,C14,C20,,,,,31537,bmse010301,1
20,covalent,SING,C15,C21,,,,,31537,bmse010301,1
21,covalent,DOUB,C16,C18,,,,,31537,bmse010301,1
22,covalent,SING,C16,O22,,,,,31537,bmse010301,1
23,covalent,DOUB,C17,C19,,,,,31537,bmse010301,1
24,covalent,SING,C17,O23,,,,,31537,bmse010301,1
25,covalent,SING,C18,O27,,,,,31537,bmse010301,1
26,covalent,SING,C19,O28,,,,,31537,bmse010301,1
27,covalent,SING,C20,O24,,,,,31537,bmse010301,1
28,covalent,DOUB,C20,O25,,,,,31537,bmse010301,1
29,covalent,DOUB,C21,O26,,,,,31537,bmse010301,1
30,covalent,SING,C21,O29,,,,,31537,bmse010301,1
31,covalent,SING,C1,H31,,,,,31537,bmse010301,1
32,covalent,SING,C1,H32,,,,,31537,bmse010301,1
33,covalent,SING,C1,H30,,,,,31537,bmse010301,1
34,covalent,SING,C2,H34,,,,,31537,bmse010301,1
35,covalent,SING,C2,H35,,,,,31537,bmse010301,1
36,covalent,SING,C2,H33,,,,,31537,bmse010301,1
37,covalent,SING,C3,H36,,,,,31537,bmse010301,1
38,covalent,SING,C3,H37,,,,,31537,bmse010301,1
39,covalent,SING,C3,H38,,,,,31537,bmse010301,1
40,covalent,SING,C4,H39,,,,,31537,bmse010301,1
41,covalent,SING,C5,H40,,,,,31537,bmse010301,1
42,covalent,SING,C6,H41,,,,,31537,bmse010301,1
43,covalent,SING,C7,H42,,,,,31537,bmse010301,1
44,covalent,SING,C8,H43,,,,,31537,bmse010301,1
45,covalent,SING,C9,H44,,,,,31537,bmse010301,1
46,covalent,SING,C10,H45,,,,,31537,bmse010301,1
47,covalent,SING,C11,H46,,,,,31537,bmse010301,1
48,covalent,SING,O22,H47,,,,,31537,bmse010301,1
49,covalent,SING,O23,H48,,,,,31537,bmse010301,1
50,covalent,SING,O24,H49,,,,,31537,bmse010301,1
1,covalent,SING,C1,O27,,,,,31551,bmse010302,1
2,covalent,SING,C2,O28,,,,,31551,bmse010302,1
3,covalent,SING,C3,O29,,,,,31551,bmse010302,1
4,covalent,SING,C4,O30,,,,,31551,bmse010302,1
5,covalent,DOUB,C5,C6,,,,,31551,bmse010302,1
6,covalent,SING,C5,C11,,,,,31551,bmse010302,1
7,covalent,SING,C6,C15,,,,,31551,bmse010302,1
8,covalent,SING,C7,C12,,,,,31551,bmse010302,1
9,covalent,DOUB,C7,C14,,,,,31551,bmse010302,1
10,covalent,DOUB,C8,C11,,,,,31551,bmse010302,1
11,covalent,SING,C8,C17,,,,,31551,bmse010302,1
12,covalent,SING,C9,C12,,,,,31551,bmse010302,1
13,covalent,DOUB,C9,C18,,,,,31551,bmse010302,1
14,covalent,SING,C10,C13,,,,,31551,bmse010302,1
15,covalent,DOUB,C10,C16,,,,,31551,bmse010302,1
16,covalent,SING,C19,C11,,,,,31551,bmse010302,1
17,covalent,DOUB,C12,C13,,,,,31551,bmse010302,1
18,covalent,SING,C13,C19,,,,,31551,bmse010302,1
19,covalent,SING,C14,C20,,,,,31551,bmse010302,1
20,covalent,SING,C14,C21,,,,,31551,bmse010302,1
21,covalent,DOUB,C15,C17,,,,,31551,bmse010302,1
22,covalent,SING,C15,O23,,,,,31551,bmse010302,1
23,covalent,SING,C16,C18,,,,,31551,bmse010302,1
24,covalent,SING,C16,O24,,,,,31551,bmse010302,1
25,covalent,SING,C17,O27,,,,,31551,bmse010302,1
26,covalent,SING,C18,O28,,,,,31551,bmse010302,1
27,covalent,SING,C19,C20,,,,,31551,bmse010302,1
28,covalent,SING,C20,C22,,,,,31551,bmse010302,1
29,covalent,DOUB,C21,O25,,,,,31551,bmse010302,1
30,covalent,SING,C21,O29,,,,,31551,bmse010302,1
31,covalent,DOUB,C22,O26,,,,,31551,bmse010302,1
32,covalent,SING,C22,O30,,,,,31551,bmse010302,1
33,covalent,SING,C1,H31,,,,,31551,bmse010302,1
34,covalent,SING,C1,H32,,,,,31551,bmse010302,1
35,covalent,SING,C1,H33,,,,,31551,bmse010302,1
36,covalent,SING,C2,H36,,,,,31551,bmse010302,1
37,covalent,SING,C2,H35,,,,,31551,bmse010302,1
38,covalent,SING,C2,H34,,,,,31551,bmse010302,1
39,covalent,SING,C3,H37,,,,,31551,bmse010302,1
40,covalent,SING,C3,H39,,,,,31551,bmse010302,1
41,covalent,SING,C3,H38,,,,,31551,bmse010302,1
42,covalent,SING,C4,H40,,,,,31551,bmse010302,1
43,covalent,SING,C4,H41,,,,,31551,bmse010302,1
44,covalent,SING,C4,H42,,,,,31551,bmse010302,1
45,covalent,SING,C5,H43,,,,,31551,bmse010302,1
46,covalent,SING,C6,H44,,,,,31551,bmse010302,1
47,covalent,SING,C7,H45,,,,,31551,bmse010302,1
48,covalent,SING,C8,H46,,,,,31551,bmse010302,1
49,covalent,SING,C9,H47,,,,,31551,bmse010302,1
50,covalent,SING,C10,H48,,,,,31551,bmse010302,1
51,covalent,SING,C19,H49,,,,,31551,bmse010302,1
52,covalent,SING,C20,H50,,,,,31551,bmse010302,1
53,covalent,SING,O23,H51,,,,,31551,bmse010302,1
54,covalent,SING,O24,H52,,,,,31551,bmse010302,1
1,covalent,SING,C1,O27,,,,,31571,bmse010303,1
2,covalent,SING,C2,O28,,,,,31571,bmse010303,1
3,covalent,DOUB,C3,C4,,,,,31571,bmse010303,1
4,covalent,SING,C3,C9,,,,,31571,bmse010303,1
5,covalent,SING,C4,C13,,,,,31571,bmse010303,1
6,covalent,SING,C5,C10,,,,,31571,bmse010303,1
7,covalent,DOUB,C5,C12,,,,,31571,bmse010303,1
8,covalent,DOUB,C6,C9,,,,,31571,bmse010303,1
9,covalent,SING,C6,C15,,,,,31571,bmse010303,1
10,covalent,SING,C7,C10,,,,,31571,bmse010303,1
11,covalent,DOUB,C7,C16,,,,,31571,bmse010303,1
12,covalent,SING,C8,C11,,,,,31571,bmse010303,1
13,covalent,DOUB,C8,C14,,,,,31571,bmse010303,1
14,covalent,SING,C17,C9,,,,,31571,bmse010303,1
15,covalent,DOUB,C10,C11,,,,,31571,bmse010303,1
16,covalent,SING,C11,C17,,,,,31571,bmse010303,1
17,covalent,SING,C12,C18,,,,,31571,bmse010303,1
18,covalent,SING,C12,C19,,,,,31571,bmse010303,1
19,covalent,DOUB,C13,C15,,,,,31571,bmse010303,1
20,covalent,SING,C13,O21,,,,,31571,bmse010303,1
21,covalent,SING,C14,C16,,,,,31571,bmse010303,1
22,covalent,SING,C14,O22,,,,,31571,bmse010303,1
23,covalent,SING,C15,O27,,,,,31571,bmse010303,1
24,covalent,SING,C16,O28,,,,,31571,bmse010303,1
25,covalent,SING,C17,C18,,,,,31571,bmse010303,1
26,covalent,SING,C18,C20,,,,,31571,bmse010303,1
27,covalent,SING,C19,O23,,,,,31571,bmse010303,1
28,covalent,DOUB,C19,O24,,,,,31571,bmse010303,1
29,covalent,SING,C20,O25,,,,,31571,bmse010303,1
30,covalent,DOUB,C20,O26,,,,,31571,bmse010303,1
31,covalent,SING,C1,H29,,,,,31571,bmse010303,1
32,covalent,SING,C1,H31,,,,,31571,bmse010303,1
33,covalent,SING,C1,H30,,,,,31571,bmse010303,1
34,covalent,SING,C2,H34,,,,,31571,bmse010303,1
35,covalent,SING,C2,H33,,,,,31571,bmse010303,1
36,covalent,SING,C2,H32,,,,,31571,bmse010303,1
37,covalent,SING,C3,H35,,,,,31571,bmse010303,1
38,covalent,SING,C4,H36,,,,,31571,bmse010303,1
39,covalent,SING,C5,H37,,,,,31571,bmse010303,1
40,covalent,SING,C6,H38,,,,,31571,bmse010303,1
41,covalent,SING,C7,H39,,,,,31571,bmse010303,1
42,covalent,SING,C8,H40,,,,,31571,bmse010303,1
43,covalent,SING,C17,H41,,,,,31571,bmse010303,1
44,covalent,SING,C18,H42,,,,,31571,bmse010303,1
45,covalent,SING,O21,H43,,,,,31571,bmse010303,1
46,covalent,SING,O22,H44,,,,,31571,bmse010303,1
47,covalent,SING,O23,H45,,,,,31571,bmse010303,1
48,covalent,SING,O25,H46,,,,,31571,bmse010303,1
1,covalent,SING,C1,O20,,,,,31588,bmse010304,1
2,covalent,SING,C2,O21,,,,,31588,bmse010304,1
3,covalent,DOUB,C3,C4,,,,,31588,bmse010304,1
4,covalent,SING,C3,C10,,,,,31588,bmse010304,1
5,covalent,SING,C4,C12,,,,,31588,bmse010304,1
6,covalent,DOUB,C5,C10,,,,,31588,bmse010304,1
7,covalent,SING,C5,C13,,,,,31588,bmse010304,1
8,covalent,DOUB,C6,C11,,,,,31588,bmse010304,1
9,covalent,SING,C6,C14,,,,,31588,bmse010304,1
10,covalent,SING,C7,C11,,,,,31588,bmse010304,1
11,covalent,DOUB,C7,C15,,,,,31588,bmse010304,1
12,covalent,SING,C8,C10,,,,,31588,bmse010304,1
13,covalent,DOUB,C8,O17,,,,,31588,bmse010304,1
14,covalent,SING,C9,C11,,,,,31588,bmse010304,1
15,covalent,DOUB,C9,O18,,,,,31588,bmse010304,1
16,covalent,DOUB,C12,C13,,,,,31588,bmse010304,1
17,covalent,SING,C12,O22,,,,,31588,bmse010304,1
18,covalent,SING,C13,O20,,,,,31588,bmse010304,1
19,covalent,DOUB,C14,C16,,,,,31588,bmse010304,1
20,covalent,SING,C14,O21,,,,,31588,bmse010304,1
21,covalent,SING,C15,C16,,,,,31588,bmse010304,1
22,covalent,SING,C15,O22,,,,,31588,bmse010304,1
23,covalent,SING,C16,O19,,,,,31588,bmse010304,1
24,covalent,SING,C1,H24,,,,,31588,bmse010304,1
25,covalent,SING,C1,H23,,,,,31588,bmse010304,1
26,covalent,SING,C1,H25,,,,,31588,bmse010304,1
27,covalent,SING,C2,H28,,,,,31588,bmse010304,1
28,covalent,SING,C2,H26,,,,,31588,bmse010304,1
29,covalent,SING,C2,H27,,,,,31588,bmse010304,1
30,covalent,SING,C3,H29,,,,,31588,bmse010304,1
31,covalent,SING,C4,H30,,,,,31588,bmse010304,1
32,covalent,SING,C5,H31,,,,,31588,bmse010304,1
33,covalent,SING,C6,H32,,,,,31588,bmse010304,1
34,covalent,SING,C7,H33,,,,,31588,bmse010304,1
35,covalent,SING,C8,H34,,,,,31588,bmse010304,1
36,covalent,SING,C9,H35,,,,,31588,bmse010304,1
37,covalent,SING,O19,H36,,,,,31588,bmse010304,1
1,covalent,SING,C1,O26,,,,,31608,bmse010305,1
2,covalent,SING,C2,O27,,,,,31608,bmse010305,1
3,covalent,DOUB,C3,C6,,,,,31608,bmse010305,1
4,covalent,SING,C3,C13,,,,,31608,bmse010305,1
5,covalent,DOUB,C4,C7,,,,,31608,bmse010305,1
6,covalent,SING,C4,C12,,,,,31608,bmse010305,1
7,covalent,DOUB,C5,C8,,,,,31608,bmse010305,1
8,covalent,SING,C5,C12,,,,,31608,bmse010305,1
9,covalent,SING,C6,C14,,,,,31608,bmse010305,1
10,covalent,SING,C7,C15,,,,,31608,bmse010305,1
11,covalent,SING,C8,C19,,,,,31608,bmse010305,1
12,covalent,DOUB,C9,C12,,,,,31608,bmse010305,1
13,covalent,SING,C9,C17,,,,,31608,bmse010305,1
14,covalent,DOUB,C10,C13,,,,,31608,bmse010305,1
15,covalent,SING,C10,C16,,,,,31608,bmse010305,1
16,covalent,SING,C11,C13,,,,,31608,bmse010305,1
17,covalent,DOUB,C11,C18,,,,,31608,bmse010305,1
18,covalent,DOUB,C14,C16,,,,,31608,bmse010305,1
19,covalent,SING,C14,O21,,,,,31608,bmse010305,1
20,covalent,DOUB,C15,C17,,,,,31608,bmse010305,1
21,covalent,SING,C15,O28,,,,,31608,bmse010305,1
22,covalent,SING,C16,O26,,,,,31608,bmse010305,1
23,covalent,SING,C17,O27,,,,,31608,bmse010305,1
24,covalent,SING,C18,C20,,,,,31608,bmse010305,1
25,covalent,SING,C18,O28,,,,,31608,bmse010305,1
26,covalent,SING,C19,O22,,,,,31608,bmse010305,1
27,covalent,DOUB,C19,O23,,,,,31608,bmse010305,1
28,covalent,SING,C20,O24,,,,,31608,bmse010305,1
29,covalent,DOUB,C20,O25,,,,,31608,bmse010305,1
30,covalent,SING,C1,H30,,,,,31608,bmse010305,1
31,covalent,SING,C1,H29,,,,,31608,bmse010305,1
32,covalent,SING,C1,H31,,,,,31608,bmse010305,1
33,covalent,SING,C2,H33,,,,,31608,bmse010305,1
34,covalent,SING,C2,H34,,,,,31608,bmse010305,1
35,covalent,SING,C2,H32,,,,,31608,bmse010305,1
36,covalent,SING,C3,H35,,,,,31608,bmse010305,1
37,covalent,SING,C4,H36,,,,,31608,bmse010305,1
38,covalent,SING,C5,H37,,,,,31608,bmse010305,1
39,covalent,SING,C6,H38,,,,,31608,bmse010305,1
40,covalent,SING,C7,H39,,,,,31608,bmse010305,1
41,covalent,SING,C8,H40,,,,,31608,bmse010305,1
42,covalent,SING,C9,H41,,,,,31608,bmse010305,1
43,covalent,SING,C10,H42,,,,,31608,bmse010305,1
44,covalent,SING,C11,H43,,,,,31608,bmse010305,1
45,covalent,SING,O21,H44,,,,,31608,bmse010305,1
46,covalent,SING,O22,H45,,,,,31608,bmse010305,1
47,covalent,SING,O24,H46,,,,,31608,bmse010305,1
1,covalent,SING,C1,C5,,,,,31625,bmse010306,1
2,covalent,SING,C2,O27,,,,,31625,bmse010306,1
3,covalent,SING,C3,O28,,,,,31625,bmse010306,1
4,covalent,SING,C4,O29,,,,,31625,bmse010306,1
5,covalent,SING,C5,O30,,,,,31625,bmse010306,1
6,covalent,DOUB,C6,C9,,,,,31625,bmse010306,1
7,covalent,SING,C6,C16,,,,,31625,bmse010306,1
8,covalent,DOUB,C7,C10,,,,,31625,bmse010306,1
9,covalent,SING,C7,C15,,,,,31625,bmse010306,1
10,covalent,DOUB,C8,C11,,,,,31625,bmse010306,1
11,covalent,SING,C8,C15,,,,,31625,bmse010306,1
12,covalent,SING,C9,C17,,,,,31625,bmse010306,1
13,covalent,SING,C10,C18,,,,,31625,bmse010306,1
14,covalent,SING,C11,C22,,,,,31625,bmse010306,1
15,covalent,DOUB,C12,C15,,,,,31625,bmse010306,1
16,covalent,SING,C12,C20,,,,,31625,bmse010306,1
17,covalent,DOUB,C13,C16,,,,,31625,bmse010306,1
18,covalent,SING,C13,C19,,,,,31625,bmse010306,1
19,covalent,SING,C14,C16,,,,,31625,bmse010306,1
20,covalent,DOUB,C14,C21,,,,,31625,bmse010306,1
21,covalent,DOUB,C17,C19,,,,,31625,bmse010306,1
22,covalent,SING,C17,O24,,,,,31625,bmse010306,1
23,covalent,DOUB,C18,C20,,,,,31625,bmse010306,1
24,covalent,SING,C18,O31,,,,,31625,bmse010306,1
25,covalent,SING,C19,O27,,,,,31625,bmse010306,1
26,covalent,SING,C20,O28,,,,,31625,bmse010306,1
27,covalent,SING,C21,C23,,,,,31625,bmse010306,1
28,covalent,SING,C21,O31,,,,,31625,bmse010306,1
29,covalent,DOUB,C22,O25,,,,,31625,bmse010306,1
30,covalent,SING,C22,O29,,,,,31625,bmse010306,1
31,covalent,DOUB,C23,O26,,,,,31625,bmse010306,1
32,covalent,SING,C23,O30,,,,,31625,bmse010306,1
33,covalent,SING,C1,H32,,,,,31625,bmse010306,1
34,covalent,SING,C1,H33,,,,,31625,bmse010306,1
35,covalent,SING,C1,H34,,,,,31625,bmse010306,1
36,covalent,SING,C2,H35,,,,,31625,bmse010306,1
37,covalent,SING,C2,H36,,,,,31625,bmse010306,1
38,covalent,SING,C2,H37,,,,,31625,bmse010306,1
39,covalent,SING,C3,H38,,,,,31625,bmse010306,1
40,covalent,SING,C3,H39,,,,,31625,bmse010306,1
41,covalent,SING,C3,H40,,,,,31625,bmse010306,1
42,covalent,SING,C4,H41,,,,,31625,bmse010306,1
43,covalent,SING,C4,H42,,,,,31625,bmse010306,1
44,covalent,SING,C4,H43,,,,,31625,bmse010306,1
45,covalent,SING,C5,H44,,,,,31625,bmse010306,1
46,covalent,SING,C5,H45,,,,,31625,bmse010306,1
47,covalent,SING,C6,H46,,,,,31625,bmse010306,1
48,covalent,SING,C7,H47,,,,,31625,bmse010306,1
49,covalent,SING,C8,H48,,,,,31625,bmse010306,1
50,covalent,SING,C9,H49,,,,,31625,bmse010306,1
51,covalent,SING,C10,H50,,,,,31625,bmse010306,1
52,covalent,SING,C11,H51,,,,,31625,bmse010306,1
53,covalent,SING,C12,H52,,,,,31625,bmse010306,1
54,covalent,SING,C13,H53,,,,,31625,bmse010306,1
55,covalent,SING,C14,H54,,,,,31625,bmse010306,1
56,covalent,SING,O24,H55,,,,,31625,bmse010306,1
1,covalent,SING,C1,C4,,,,,31645,bmse010307,1
2,covalent,SING,C2,O26,,,,,31645,bmse010307,1
3,covalent,SING,C3,O27,,,,,31645,bmse010307,1
4,covalent,SING,C4,O28,,,,,31645,bmse010307,1
5,covalent,DOUB,C5,C6,,,,,31645,bmse010307,1
6,covalent,SING,C5,C11,,,,,31645,bmse010307,1
7,covalent,SING,C6,C15,,,,,31645,bmse010307,1
8,covalent,DOUB,C7,C9,,,,,31645,bmse010307,1
9,covalent,SING,C7,C16,,,,,31645,bmse010307,1
10,covalent,DOUB,C8,C10,,,,,31645,bmse010307,1
11,covalent,SING,C8,C15,,,,,31645,bmse010307,1
12,covalent,SING,C9,C17,,,,,31645,bmse010307,1
13,covalent,SING,C10,C18,,,,,31645,bmse010307,1
14,covalent,DOUB,C11,O23,,,,,31645,bmse010307,1
15,covalent,DOUB,C12,C15,,,,,31645,bmse010307,1
16,covalent,SING,C12,C20,,,,,31645,bmse010307,1
17,covalent,DOUB,C13,C16,,,,,31645,bmse010307,1
18,covalent,SING,C13,C19,,,,,31645,bmse010307,1
19,covalent,SING,C14,C16,,,,,31645,bmse010307,1
20,covalent,DOUB,C14,C21,,,,,31645,bmse010307,1
21,covalent,DOUB,C17,C19,,,,,31645,bmse010307,1
22,covalent,SING,C17,O24,,,,,31645,bmse010307,1
23,covalent,DOUB,C18,C20,,,,,31645,bmse010307,1
24,covalent,SING,C18,O29,,,,,31645,bmse010307,1
25,covalent,SING,C19,O26,,,,,31645,bmse010307,1
26,covalent,SING,C20,O27,,,,,31645,bmse010307,1
27,covalent,SING,C21,C22,,,,,31645,bmse010307,1
28,covalent,SING,C21,O29,,,,,31645,bmse010307,1
29,covalent,DOUB,C22,O25,,,,,31645,bmse010307,1
30,covalent,SING,C22,O28,,,,,31645,bmse010307,1
31,covalent,SING,C1,H30,,,,,31645,bmse010307,1
32,covalent,SING,C1,H32,,,,,31645,bmse010307,1
33,covalent,SING,C1,H31,,,,,31645,bmse010307,1
34,covalent,SING,C2,H34,,,,,31645,bmse010307,1
35,covalent,SING,C2,H33,,,,,31645,bmse010307,1
36,covalent,SING,C2,H35,,,,,31645,bmse010307,1
37,covalent,SING,C3,H37,,,,,31645,bmse010307,1
38,covalent,SING,C3,H38,,,,,31645,bmse010307,1
39,covalent,SING,C3,H36,,,,,31645,bmse010307,1
40,covalent,SING,C4,H39,,,,,31645,bmse010307,1
41,covalent,SING,C4,H40,,,,,31645,bmse010307,1
42,covalent,SING,C5,H41,,,,,31645,bmse010307,1
43,covalent,SING,C6,H42,,,,,31645,bmse010307,1
44,covalent,SING,C7,H43,,,,,31645,bmse010307,1
45,covalent,SING,C8,H44,,,,,31645,bmse010307,1
46,covalent,SING,C9,H45,,,,,31645,bmse010307,1
47,covalent,SING,C10,H46,,,,,31645,bmse010307,1
48,covalent,SING,C11,H47,,,,,31645,bmse010307,1
49,covalent,SING,C12,H48,,,,,31645,bmse010307,1
50,covalent,SING,C13,H49,,,,,31645,bmse010307,1
51,covalent,SING,C14,H50,,,,,31645,bmse010307,1
52,covalent,SING,O24,H51,,,,,31645,bmse010307,1
1,covalent,SING,C1,C4,,,,,31665,bmse010308,1
2,covalent,SING,C2,O27,,,,,31665,bmse010308,1
3,covalent,SING,C3,O28,,,,,31665,bmse010308,1
4,covalent,SING,C4,O29,,,,,31665,bmse010308,1
5,covalent,DOUB,C5,C6,,,,,31665,bmse010308,1
6,covalent,SING,C5,C11,,,,,31665,bmse010308,1
7,covalent,SING,C6,C14,,,,,31665,bmse010308,1
8,covalent,DOUB,C7,C10,,,,,31665,bmse010308,1
9,covalent,SING,C7,C14,,,,,31665,bmse010308,1
10,covalent,DOUB,C8,C9,,,,,31665,bmse010308,1
11,covalent,SING,C8,C15,,,,,31665,bmse010308,1
12,covalent,SING,C9,C16,,,,,31665,bmse010308,1
13,covalent,SING,C10,C17,,,,,31665,bmse010308,1
14,covalent,DOUB,C11,O23,,,,,31665,bmse010308,1
15,covalent,DOUB,C12,C14,,,,,31665,bmse010308,1
16,covalent,SING,C12,C19,,,,,31665,bmse010308,1
17,covalent,DOUB,C13,C15,,,,,31665,bmse010308,1
18,covalent,SING,C13,C18,,,,,31665,bmse010308,1
19,covalent,SING,C15,C20,,,,,31665,bmse010308,1
20,covalent,DOUB,C16,C18,,,,,31665,bmse010308,1
21,covalent,SING,C16,O24,,,,,31665,bmse010308,1
22,covalent,DOUB,C17,C19,,,,,31665,bmse010308,1
23,covalent,SING,C17,O30,,,,,31665,bmse010308,1
24,covalent,SING,C18,O27,,,,,31665,bmse010308,1
25,covalent,SING,C19,O28,,,,,31665,bmse010308,1
26,covalent,SING,C20,C21,,,,,31665,bmse010308,1
27,covalent,SING,C20,O25,,,,,31665,bmse010308,1
28,covalent,SING,C21,C22,,,,,31665,bmse010308,1
29,covalent,SING,C21,O30,,,,,31665,bmse010308,1
30,covalent,DOUB,C22,O26,,,,,31665,bmse010308,1
31,covalent,SING,C22,O29,,,,,31665,bmse010308,1
32,covalent,SING,C1,H33,,,,,31665,bmse010308,1
33,covalent,SING,C1,H31,,,,,31665,bmse010308,1
34,covalent,SING,C1,H32,,,,,31665,bmse010308,1
35,covalent,SING,C2,H34,,,,,31665,bmse010308,1
36,covalent,SING,C2,H36,,,,,31665,bmse010308,1
37,covalent,SING,C2,H35,,,,,31665,bmse010308,1
38,covalent,SING,C3,H38,,,,,31665,bmse010308,1
39,covalent,SING,C3,H37,,,,,31665,bmse010308,1
40,covalent,SING,C3,H39,,,,,31665,bmse010308,1
41,covalent,SING,C4,H40,,,,,31665,bmse010308,1
42,covalent,SING,C4,H41,,,,,31665,bmse010308,1
43,covalent,SING,C5,H42,,,,,31665,bmse010308,1
44,covalent,SING,C6,H43,,,,,31665,bmse010308,1
45,covalent,SING,C7,H44,,,,,31665,bmse010308,1
46,covalent,SING,C8,H45,,,,,31665,bmse010308,1
47,covalent,SING,C9,H46,,,,,31665,bmse010308,1
48,covalent,SING,C10,H47,,,,,31665,bmse010308,1
49,covalent,SING,C11,H48,,,,,31665,bmse010308,1
50,covalent,SING,C12,H49,,,,,31665,bmse010308,1
51,covalent,SING,C13,H50,,,,,31665,bmse010308,1
52,covalent,SING,C20,H51,,,,,31665,bmse010308,1
53,covalent,SING,C21,H52,,,,,31665,bmse010308,1
54,covalent,SING,O24,H53,,,,,31665,bmse010308,1
55,covalent,SING,O25,H54,,,,,31665,bmse010308,1
1,covalent,SING,C1,O29,,,,,31682,bmse010309,1
2,covalent,SING,C2,O30,,,,,31682,bmse010309,1
3,covalent,SING,C3,O31,,,,,31682,bmse010309,1
4,covalent,DOUB,C4,C5,,,,,31682,bmse010309,1
5,covalent,SING,C4,C14,,,,,31682,bmse010309,1
6,covalent,SING,C5,C17,,,,,31682,bmse010309,1
7,covalent,DOUB,C6,C14,,,,,31682,bmse010309,1
8,covalent,SING,C6,C18,,,,,31682,bmse010309,1
9,covalent,DOUB,C7,C15,,,,,31682,bmse010309,1
10,covalent,SING,C7,C19,,,,,31682,bmse010309,1
11,covalent,SING,C8,C15,,,,,31682,bmse010309,1
12,covalent,DOUB,C8,C20,,,,,31682,bmse010309,1
13,covalent,DOUB,C9,C16,,,,,31682,bmse010309,1
14,covalent,SING,C9,C21,,,,,31682,bmse010309,1
15,covalent,SING,C10,C16,,,,,31682,bmse010309,1
16,covalent,DOUB,C10,C22,,,,,31682,bmse010309,1
17,covalent,SING,C11,C14,,,,,31682,bmse010309,1
18,covalent,SING,C11,O25,,,,,31682,bmse010309,1
19,covalent,SING,C12,C15,,,,,31682,bmse010309,1
20,covalent,DOUB,C12,O26,,,,,31682,bmse010309,1
21,covalent,SING,C13,C16,,,,,31682,bmse010309,1
22,covalent,DOUB,C13,O27,,,,,31682,bmse010309,1
23,covalent,DOUB,C17,C18,,,,,31682,bmse010309,1
24,covalent,SING,C17,O32,,,,,31682,bmse010309,1
25,covalent,SING,C18,O29,,,,,31682,bmse010309,1
26,covalent,DOUB,C19,C23,,,,,31682,bmse010309,1
27,covalent,SING,C19,O30,,,,,31682,bmse010309,1
28,covalent,SING,C20,C23,,,,,31682,bmse010309,1
29,covalent,SING,C20,O33,,,,,31682,bmse010309,1
30,covalent,DOUB,C21,C24,,,,,31682,bmse010309,1
31,covalent,SING,C21,O31,,,,,31682,bmse010309,1
32,covalent,SING,C22,C24,,,,,31682,bmse010309,1
33,covalent,SING,C22,O32,,,,,31682,bmse010309,1
34,covalent,SING,C23,O28,,,,,31682,bmse010309,1
35,covalent,SING,C24,O33,,,,,31682,bmse010309,1
36,covalent,SING,C1,H34,,,,,31682,bmse010309,1
37,covalent,SING,C1,H35,,,,,31682,bmse010309,1
38,covalent,SING,C1,H36,,,,,31682,bmse010309,1
39,covalent,SING,C2,H37,,,,,31682,bmse010309,1
40,covalent,SING,C2,H38,,,,,31682,bmse010309,1
41,covalent,SING,C2,H39,,,,,31682,bmse010309,1
42,covalent,SING,C3,H40,,,,,31682,bmse010309,1
43,covalent,SING,C3,H41,,,,,31682,bmse010309,1
44,covalent,SING,C3,H42,,,,,31682,bmse010309,1
45,covalent,SING,C4,H43,,,,,31682,bmse010309,1
46,covalent,SING,C5,H44,,,,,31682,bmse010309,1
47,covalent,SING,C6,H45,,,,,31682,bmse010309,1
48,covalent,SING,C7,H46,,,,,31682,bmse010309,1
49,covalent,SING,C8,H47,,,,,31682,bmse010309,1
50,covalent,SING,C9,H48,,,,,31682,bmse010309,1
51,covalent,SING,C10,H49,,,,,31682,bmse010309,1
52,covalent,SING,C11,H50,,,,,31682,bmse010309,1
53,covalent,SING,C11,H51,,,,,31682,bmse010309,1
54,covalent,SING,C12,H52,,,,,31682,bmse010309,1
55,covalent,SING,C13,H53,,,,,31682,bmse010309,1
56,covalent,SING,O25,H54,,,,,31682,bmse010309,1
57,covalent,SING,O28,H55,,,,,31682,bmse010309,1
1,covalent,SING,C1,C5,,,,,31696,bmse010310,1
2,covalent,SING,C2,C6,,,,,31696,bmse010310,1
3,covalent,SING,C3,O29,,,,,31696,bmse010310,1
4,covalent,SING,C4,O30,,,,,31696,bmse010310,1
5,covalent,SING,C5,O31,,,,,31696,bmse010310,1
6,covalent,SING,C6,O32,,,,,31696,bmse010310,1
7,covalent,DOUB,C7,C8,,,,,31696,bmse010310,1
8,covalent,SING,C7,C13,,,,,31696,bmse010310,1
9,covalent,SING,C8,C17,,,,,31696,bmse010310,1
10,covalent,DOUB,C9,C13,,,,,31696,bmse010310,1
11,covalent,SING,C9,C19,,,,,31696,bmse010310,1
12,covalent,DOUB,C10,C15,,,,,31696,bmse010310,1
13,covalent,SING,C10,C18,,,,,31696,bmse010310,1
14,covalent,DOUB,C11,C14,,,,,31696,bmse010310,1
15,covalent,SING,C11,C20,,,,,31696,bmse010310,1
16,covalent,SING,C12,C16,,,,,31696,bmse010310,1
17,covalent,SING,C12,C21,,,,,31696,bmse010310,1
18,covalent,SING,C22,C13,,,,,31696,bmse010310,1
19,covalent,SING,C14,C15,,,,,31696,bmse010310,1
20,covalent,SING,C14,C16,,,,,31696,bmse010310,1
21,covalent,SING,C15,C22,,,,,31696,bmse010310,1
22,covalent,SING,C16,C23,,,,,31696,bmse010310,1
23,covalent,DOUB,C17,C19,,,,,31696,bmse010310,1
24,covalent,SING,C17,O25,,,,,31696,bmse010310,1
25,covalent,DOUB,C18,C20,,,,,31696,bmse010310,1
26,covalent,SING,C18,O26,,,,,31696,bmse010310,1
27,covalent,SING,C19,O29,,,,,31696,bmse010310,1
28,covalent,SING,C20,O30,,,,,31696,bmse010310,1
29,covalent,DOUB,C21,O27,,,,,31696,bmse010310,1
30,covalent,SING,C21,O31,,,,,31696,bmse010310,1
31,covalent,SING,C22,C23,,,,,31696,bmse010310,1
32,covalent,SING,C23,C24,,,,,31696,bmse010310,1
33,covalent,DOUB,C24,O28,,,,,31696,bmse010310,1
34,covalent,SING,C24,O32,,,,,31696,bmse010310,1
35,covalent,SING,C1,H33,,,,,31696,bmse010310,1
36,covalent,SING,C1,H34,,,,,31696,bmse010310,1
37,covalent,SING,C1,H35,,,,,31696,bmse010310,1
38,covalent,SING,C2,H38,,,,,31696,bmse010310,1
39,covalent,SING,C2,H37,,,,,31696,bmse010310,1
40,covalent,SING,C2,H36,,,,,31696,bmse010310,1
41,covalent,SING,C3,H41,,,,,31696,bmse010310,1
42,covalent,SING,C3,H40,,,,,31696,bmse010310,1
43,covalent,SING,C3,H39,,,,,31696,bmse010310,1
44,covalent,SING,C4,H44,,,,,31696,bmse010310,1
45,covalent,SING,C4,H42,,,,,31696,bmse010310,1
46,covalent,SING,C4,H43,,,,,31696,bmse010310,1
47,covalent,SING,C5,H45,,,,,31696,bmse010310,1
48,covalent,SING,C5,H46,,,,,31696,bmse010310,1
49,covalent,SING,C6,H47,,,,,31696,bmse010310,1
50,covalent,SING,C6,H48,,,,,31696,bmse010310,1
51,covalent,SING,C7,H49,,,,,31696,bmse010310,1
52,covalent,SING,C8,H50,,,,,31696,bmse010310,1
53,covalent,SING,C9,H51,,,,,31696,bmse010310,1
54,covalent,SING,C10,H52,,,,,31696,bmse010310,1
55,covalent,SING,C11,H53,,,,,31696,bmse010310,1
56,covalent,SING,C12,H54,,,,,31696,bmse010310,1
57,covalent,SING,C12,H55,,,,,31696,bmse010310,1
58,covalent,SING,C16,H56,,,,,31696,bmse010310,1
59,covalent,SING,C22,H57,,,,,31696,bmse010310,1
60,covalent,SING,C23,H58,,,,,31696,bmse010310,1
61,covalent,SING,O25,H59,,,,,31696,bmse010310,1
62,covalent,SING,O26,H60,,,,,31696,bmse010310,1
1,covalent,SING,C1,C4,,,,,31716,bmse010311,1
2,covalent,SING,C2,O27,,,,,31716,bmse010311,1
3,covalent,SING,C3,O28,,,,,31716,bmse010311,1
4,covalent,SING,C4,O29,,,,,31716,bmse010311,1
5,covalent,DOUB,C5,C8,,,,,31716,bmse010311,1
6,covalent,SING,C5,C12,,,,,31716,bmse010311,1
7,covalent,DOUB,C6,C7,,,,,31716,bmse010311,1
8,covalent,SING,C6,C13,,,,,31716,bmse010311,1
9,covalent,SING,C7,C15,,,,,31716,bmse010311,1
10,covalent,SING,C8,C18,,,,,31716,bmse010311,1
11,covalent,DOUB,C9,C12,,,,,31716,bmse010311,1
12,covalent,SING,C9,C14,,,,,31716,bmse010311,1
13,covalent,SING,C10,C12,,,,,31716,bmse010311,1
14,covalent,DOUB,C10,C17,,,,,31716,bmse010311,1
15,covalent,DOUB,C11,C13,,,,,31716,bmse010311,1
16,covalent,SING,C11,C16,,,,,31716,bmse010311,1
17,covalent,SING,C13,C20,,,,,31716,bmse010311,1
18,covalent,SING,C14,C19,,,,,31716,bmse010311,1
19,covalent,DOUB,C14,C21,,,,,31716,bmse010311,1
20,covalent,DOUB,C15,C16,,,,,31716,bmse010311,1
21,covalent,SING,C15,O23,,,,,31716,bmse010311,1
22,covalent,SING,C16,O27,,,,,31716,bmse010311,1
23,covalent,SING,C17,C21,,,,,31716,bmse010311,1
24,covalent,SING,C17,O28,,,,,31716,bmse010311,1
25,covalent,DOUB,C18,O24,,,,,31716,bmse010311,1
26,covalent,SING,C18,O29,,,,,31716,bmse010311,1
27,covalent,SING,C19,C20,,,,,31716,bmse010311,1
28,covalent,SING,C19,C22,,,,,31716,bmse010311,1
29,covalent,SING,C20,O30,,,,,31716,bmse010311,1
30,covalent,SING,C21,O30,,,,,31716,bmse010311,1
31,covalent,SING,C22,O25,,,,,31716,bmse010311,1
32,covalent,DOUB,C22,O26,,,,,31716,bmse010311,1
33,covalent,SING,C1,H33,,,,,31716,bmse010311,1
34,covalent,SING,C1,H32,,,,,31716,bmse010311,1
35,covalent,SING,C1,H31,,,,,31716,bmse010311,1
36,covalent,SING,C2,H34,,,,,31716,bmse010311,1
37,covalent,SING,C2,H35,,,,,31716,bmse010311,1
38,covalent,SING,C2,H36,,,,,31716,bmse010311,1
39,covalent,SING,C3,H37,,,,,31716,bmse010311,1
40,covalent,SING,C3,H38,,,,,31716,bmse010311,1
41,covalent,SING,C3,H39,,,,,31716,bmse010311,1
42,covalent,SING,C4,H40,,,,,31716,bmse010311,1
43,covalent,SING,C4,H41,,,,,31716,bmse010311,1
44,covalent,SING,C5,H42,,,,,31716,bmse010311,1
45,covalent,SING,C6,H43,,,,,31716,bmse010311,1
46,covalent,SING,C7,H44,,,,,31716,bmse010311,1
47,covalent,SING,C8,H45,,,,,31716,bmse010311,1
48,covalent,SING,C9,H46,,,,,31716,bmse010311,1
49,covalent,SING,C10,H47,,,,,31716,bmse010311,1
50,covalent,SING,C11,H48,,,,,31716,bmse010311,1
51,covalent,SING,C19,H49,,,,,31716,bmse010311,1
52,covalent,SING,C20,H50,,,,,31716,bmse010311,1
53,covalent,SING,O23,H51,,,,,31716,bmse010311,1
54,covalent,SING,O25,H52,,,,,31716,bmse010311,1
1,covalent,SING,C1,O24,,,,,31730,bmse010312,1
2,covalent,SING,C2,O25,,,,,31730,bmse010312,1
3,covalent,DOUB,C3,C5,,,,,31730,bmse010312,1
4,covalent,SING,C3,C12,,,,,31730,bmse010312,1
5,covalent,DOUB,C4,C7,,,,,31730,bmse010312,1
6,covalent,SING,C4,C12,,,,,31730,bmse010312,1
7,covalent,SING,C5,C13,,,,,31730,bmse010312,1
8,covalent,DOUB,C6,C8,,,,,31730,bmse010312,1
9,covalent,SING,C6,C14,,,,,31730,bmse010312,1
10,covalent,SING,C7,C15,,,,,31730,bmse010312,1
11,covalent,SING,C8,C19,,,,,31730,bmse010312,1
12,covalent,DOUB,C9,C12,,,,,31730,bmse010312,1
13,covalent,SING,C9,C17,,,,,31730,bmse010312,1
14,covalent,DOUB,C10,C13,,,,,31730,bmse010312,1
15,covalent,SING,C10,C16,,,,,31730,bmse010312,1
16,covalent,DOUB,C11,C14,,,,,31730,bmse010312,1
17,covalent,SING,C11,C18,,,,,31730,bmse010312,1
18,covalent,SING,C13,C14,,,,,31730,bmse010312,1
19,covalent,DOUB,C15,C17,,,,,31730,bmse010312,1
20,covalent,SING,C15,O20,,,,,31730,bmse010312,1
21,covalent,DOUB,C16,C18,,,,,31730,bmse010312,1
22,covalent,SING,C16,O21,,,,,31730,bmse010312,1
23,covalent,SING,C17,O24,,,,,31730,bmse010312,1
24,covalent,SING,C18,O25,,,,,31730,bmse010312,1
25,covalent,SING,C19,O22,,,,,31730,bmse010312,1
26,covalent,DOUB,C19,O23,,,,,31730,bmse010312,1
27,covalent,SING,C1,H26,,,,,31730,bmse010312,1
28,covalent,SING,C1,H28,,,,,31730,bmse010312,1
29,covalent,SING,C1,H27,,,,,31730,bmse010312,1
30,covalent,SING,C2,H31,,,,,31730,bmse010312,1
31,covalent,SING,C2,H30,,,,,31730,bmse010312,1
32,covalent,SING,C2,H29,,,,,31730,bmse010312,1
33,covalent,SING,C3,H32,,,,,31730,bmse010312,1
34,covalent,SING,C4,H33,,,,,31730,bmse010312,1
35,covalent,SING,C5,H34,,,,,31730,bmse010312,1
36,covalent,SING,C6,H35,,,,,31730,bmse010312,1
37,covalent,SING,C7,H36,,,,,31730,bmse010312,1
38,covalent,SING,C8,H37,,,,,31730,bmse010312,1
39,covalent,SING,C9,H38,,,,,31730,bmse010312,1
40,covalent,SING,C10,H39,,,,,31730,bmse010312,1
41,covalent,SING,C11,H40,,,,,31730,bmse010312,1
42,covalent,SING,O20,H41,,,,,31730,bmse010312,1
43,covalent,SING,O21,H42,,,,,31730,bmse010312,1
44,covalent,SING,O22,H43,,,,,31730,bmse010312,1
1,covalent,SING,C1,C5,,,,,31744,bmse010313,1
2,covalent,SING,C2,C6,,,,,31744,bmse010313,1
3,covalent,SING,C3,O29,,,,,31744,bmse010313,1
4,covalent,SING,C4,O30,,,,,31744,bmse010313,1
5,covalent,SING,C5,O31,,,,,31744,bmse010313,1
6,covalent,SING,C6,O32,,,,,31744,bmse010313,1
7,covalent,DOUB,C7,C9,,,,,31744,bmse010313,1
8,covalent,SING,C7,C15,,,,,31744,bmse010313,1
9,covalent,DOUB,C8,C10,,,,,31744,bmse010313,1
10,covalent,SING,C8,C16,,,,,31744,bmse010313,1
11,covalent,SING,C9,C21,,,,,31744,bmse010313,1
12,covalent,SING,C10,C22,,,,,31744,bmse010313,1
13,covalent,DOUB,C11,C15,,,,,31744,bmse010313,1
14,covalent,SING,C11,C17,,,,,31744,bmse010313,1
15,covalent,DOUB,C12,C16,,,,,31744,bmse010313,1
16,covalent,SING,C12,C18,,,,,31744,bmse010313,1
17,covalent,SING,C13,C15,,,,,31744,bmse010313,1
18,covalent,DOUB,C13,C19,,,,,31744,bmse010313,1
19,covalent,SING,C14,C16,,,,,31744,bmse010313,1
20,covalent,DOUB,C14,C20,,,,,31744,bmse010313,1
21,covalent,SING,C17,C18,,,,,31744,bmse010313,1
22,covalent,DOUB,C17,C23,,,,,31744,bmse010313,1
23,covalent,DOUB,C18,C24,,,,,31744,bmse010313,1
24,covalent,SING,C19,C23,,,,,31744,bmse010313,1
25,covalent,SING,C19,O29,,,,,31744,bmse010313,1
26,covalent,SING,C20,C24,,,,,31744,bmse010313,1
27,covalent,SING,C20,O30,,,,,31744,bmse010313,1
28,covalent,DOUB,C21,O25,,,,,31744,bmse010313,1
29,covalent,SING,C21,O31,,,,,31744,bmse010313,1
30,covalent,DOUB,C22,O26,,,,,31744,bmse010313,1
31,covalent,SING,C22,O32,,,,,31744,bmse010313,1
32,covalent,SING,C23,O27,,,,,31744,bmse010313,1
33,covalent,SING,C24,O28,,,,,31744,bmse010313,1
34,covalent,SING,C1,H33,,,,,31744,bmse010313,1
35,covalent,SING,C1,H35,,,,,31744,bmse010313,1
36,covalent,SING,C1,H34,,,,,31744,bmse010313,1
37,covalent,SING,C2,H38,,,,,31744,bmse010313,1
38,covalent,SING,C2,H36,,,,,31744,bmse010313,1
39,covalent,SING,C2,H37,,,,,31744,bmse010313,1
40,covalent,SING,C3,H39,,,,,31744,bmse010313,1
41,covalent,SING,C3,H40,,,,,31744,bmse010313,1
42,covalent,SING,C3,H41,,,,,31744,bmse010313,1
43,covalent,SING,C4,H44,,,,,31744,bmse010313,1
44,covalent,SING,C4,H43,,,,,31744,bmse010313,1
45,covalent,SING,C4,H42,,,,,31744,bmse010313,1
46,covalent,SING,C5,H45,,,,,31744,bmse010313,1
47,covalent,SING,C5,H46,,,,,31744,bmse010313,1
48,covalent,SING,C6,H47,,,,,31744,bmse010313,1
49,covalent,SING,C6,H48,,,,,31744,bmse010313,1
50,covalent,SING,C7,H49,,,,,31744,bmse010313,1
51,covalent,SING,C8,H50,,,,,31744,bmse010313,1
52,covalent,SING,C9,H51,,,,,31744,bmse010313,1
53,covalent,SING,C10,H52,,,,,31744,bmse010313,1
54,covalent,SING,C11,H53,,,,,31744,bmse010313,1
55,covalent,SING,C12,H54,,,,,31744,bmse010313,1
56,covalent,SING,C13,H55,,,,,31744,bmse010313,1
57,covalent,SING,C14,H56,,,,,31744,bmse010313,1
58,covalent,SING,O27,H57,,,,,31744,bmse010313,1
59,covalent,SING,O28,H58,,,,,31744,bmse010313,1
1,covalent,SING,C1,O25,,,,,31764,bmse010314,1
2,covalent,SING,C2,O26,,,,,31764,bmse010314,1
3,covalent,DOUB,C3,C5,,,,,31764,bmse010314,1
4,covalent,SING,C3,C7,,,,,31764,bmse010314,1
5,covalent,DOUB,C4,C6,,,,,31764,bmse010314,1
6,covalent,SING,C4,C8,,,,,31764,bmse010314,1
7,covalent,SING,C5,C13,,,,,31764,bmse010314,1
8,covalent,SING,C6,C14,,,,,31764,bmse010314,1
9,covalent,SING,C7,O21,,,,,31764,bmse010314,1
10,covalent,SING,C8,O22,,,,,31764,bmse010314,1
11,covalent,DOUB,C9,C13,,,,,31764,bmse010314,1
12,covalent,SING,C9,C15,,,,,31764,bmse010314,1
13,covalent,DOUB,C10,C14,,,,,31764,bmse010314,1
14,covalent,SING,C10,C16,,,,,31764,bmse010314,1
15,covalent,SING,C11,C13,,,,,31764,bmse010314,1
16,covalent,DOUB,C11,C17,,,,,31764,bmse010314,1
17,covalent,SING,C12,C14,,,,,31764,bmse010314,1
18,covalent,DOUB,C12,C18,,,,,31764,bmse010314,1
19,covalent,SING,C15,C16,,,,,31764,bmse010314,1
20,covalent,DOUB,C15,C19,,,,,31764,bmse010314,1
21,covalent,DOUB,C16,C20,,,,,31764,bmse010314,1
22,covalent,SING,C17,C19,,,,,31764,bmse010314,1
23,covalent,SING,C17,O25,,,,,31764,bmse010314,1
24,covalent,SING,C18,C20,,,,,31764,bmse010314,1
25,covalent,SING,C18,O26,,,,,31764,bmse010314,1
26,covalent,SING,C19,O23,,,,,31764,bmse010314,1
27,covalent,SING,C20,O24,,,,,31764,bmse010314,1
28,covalent,SING,C1,H27,,,,,31764,bmse010314,1
29,covalent,SING,C1,H28,,,,,31764,bmse010314,1
30,covalent,SING,C1,H29,,,,,31764,bmse010314,1
31,covalent,SING,C2,H32,,,,,31764,bmse010314,1
32,covalent,SING,C2,H31,,,,,31764,bmse010314,1
33,covalent,SING,C2,H30,,,,,31764,bmse010314,1
34,covalent,SING,C3,H33,,,,,31764,bmse010314,1
35,covalent,SING,C4,H34,,,,,31764,bmse010314,1
36,covalent,SING,C5,H35,,,,,31764,bmse010314,1
37,covalent,SING,C6,H36,,,,,31764,bmse010314,1
38,covalent,SING,C7,H37,,,,,31764,bmse010314,1
39,covalent,SING,C7,H38,,,,,31764,bmse010314,1
40,covalent,SING,C8,H39,,,,,31764,bmse010314,1
41,covalent,SING,C8,H40,,,,,31764,bmse010314,1
42,covalent,SING,C9,H41,,,,,31764,bmse010314,1
43,covalent,SING,C10,H42,,,,,31764,bmse010314,1
44,covalent,SING,C11,H43,,,,,31764,bmse010314,1
45,covalent,SING,C12,H44,,,,,31764,bmse010314,1
46,covalent,SING,O21,H45,,,,,31764,bmse010314,1
47,covalent,SING,O22,H46,,,,,31764,bmse010314,1
48,covalent,SING,O23,H47,,,,,31764,bmse010314,1
49,covalent,SING,O24,H48,,,,,31764,bmse010314,1
1,covalent,SING,C1,O27,,,,,31778,bmse010315,1
2,covalent,SING,C2,O28,,,,,31778,bmse010315,1
3,covalent,SING,C3,O29,,,,,31778,bmse010315,1
4,covalent,DOUB,C4,C5,,,,,31778,bmse010315,1
5,covalent,SING,C4,C10,,,,,31778,bmse010315,1
6,covalent,SING,C5,C14,,,,,31778,bmse010315,1
7,covalent,SING,C6,C11,,,,,31778,bmse010315,1
8,covalent,DOUB,C6,C13,,,,,31778,bmse010315,1
9,covalent,DOUB,C7,C10,,,,,31778,bmse010315,1
10,covalent,SING,C7,C16,,,,,31778,bmse010315,1
11,covalent,SING,C8,C11,,,,,31778,bmse010315,1
12,covalent,DOUB,C8,C17,,,,,31778,bmse010315,1
13,covalent,SING,C9,C12,,,,,31778,bmse010315,1
14,covalent,DOUB,C9,C15,,,,,31778,bmse010315,1
15,covalent,SING,C18,C10,,,,,31778,bmse010315,1
16,covalent,DOUB,C11,C12,,,,,31778,bmse010315,1
17,covalent,SING,C12,C18,,,,,31778,bmse010315,1
18,covalent,SING,C13,C19,,,,,31778,bmse010315,1
19,covalent,SING,C13,C20,,,,,31778,bmse010315,1
20,covalent,DOUB,C14,C16,,,,,31778,bmse010315,1
21,covalent,SING,C14,O22,,,,,31778,bmse010315,1
22,covalent,SING,C15,C17,,,,,31778,bmse010315,1
23,covalent,SING,C15,O23,,,,,31778,bmse010315,1
24,covalent,SING,C16,O27,,,,,31778,bmse010315,1
25,covalent,SING,C17,O28,,,,,31778,bmse010315,1
26,covalent,SING,C18,C19,,,,,31778,bmse010315,1
27,covalent,SING,C19,C21,,,,,31778,bmse010315,1
28,covalent,SING,C20,O24,,,,,31778,bmse010315,1
29,covalent,DOUB,C20,O25,,,,,31778,bmse010315,1
30,covalent,DOUB,C21,O26,,,,,31778,bmse010315,1
31,covalent,SING,C21,O29,,,,,31778,bmse010315,1
32,covalent,SING,C1,H30,,,,,31778,bmse010315,1
33,covalent,SING,C1,H31,,,,,31778,bmse010315,1
34,covalent,SING,C1,H32,,,,,31778,bmse010315,1
35,covalent,SING,C2,H35,,,,,31778,bmse010315,1
36,covalent,SING,C2,H34,,,,,31778,bmse010315,1
37,covalent,SING,C2,H33,,,,,31778,bmse010315,1
38,covalent,SING,C3,H36,,,,,31778,bmse010315,1
39,covalent,SING,C3,H37,,,,,31778,bmse010315,1
40,covalent,SING,C3,H38,,,,,31778,bmse010315,1
41,covalent,SING,C4,H39,,,,,31778,bmse010315,1
42,covalent,SING,C5,H40,,,,,31778,bmse010315,1
43,covalent,SING,C6,H41,,,,,31778,bmse010315,1
44,covalent,SING,C7,H42,,,,,31778,bmse010315,1
45,covalent,SING,C8,H43,,,,,31778,bmse010315,1
46,covalent,SING,C9,H44,,,,,31778,bmse010315,1
47,covalent,SING,C18,H45,,,,,31778,bmse010315,1
48,covalent,SING,C19,H46,,,,,31778,bmse010315,1
49,covalent,SING,O22,H47,,,,,31778,bmse010315,1
50,covalent,SING,O23,H48,,,,,31778,bmse010315,1
51,covalent,SING,O24,H49,,,,,31778,bmse010315,1
1,covalent,SING,C1,O23,,,,,31792,bmse010316,1
2,covalent,SING,C2,C3,,,,,31792,bmse010316,1
3,covalent,SING,C2,C12,,,,,31792,bmse010316,1
4,covalent,SING,C3,C15,,,,,31792,bmse010316,1
5,covalent,SING,C4,C8,,,,,31792,bmse010316,1
6,covalent,DOUB,C4,C14,,,,,31792,bmse010316,1
7,covalent,DOUB,C5,C9,,,,,31792,bmse010316,1
8,covalent,SING,C5,C14,,,,,31792,bmse010316,1
9,covalent,DOUB,C6,C10,,,,,31792,bmse010316,1
10,covalent,SING,C6,C15,,,,,31792,bmse010316,1
11,covalent,SING,C7,C11,,,,,31792,bmse010316,1
12,covalent,SING,C7,C14,,,,,31792,bmse010316,1
13,covalent,DOUB,C8,C16,,,,,31792,bmse010316,1
14,covalent,SING,C9,C16,,,,,31792,bmse010316,1
15,covalent,SING,C10,C17,,,,,31792,bmse010316,1
16,covalent,SING,C11,C19,,,,,31792,bmse010316,1
17,covalent,SING,C12,O24,,,,,31792,bmse010316,1
18,covalent,DOUB,C13,C15,,,,,31792,bmse010316,1
19,covalent,SING,C13,C18,,,,,31792,bmse010316,1
20,covalent,SING,C16,O20,,,,,31792,bmse010316,1
21,covalent,DOUB,C17,C18,,,,,31792,bmse010316,1
22,covalent,SING,C17,O21,,,,,31792,bmse010316,1
23,covalent,SING,C18,O23,,,,,31792,bmse010316,1
24,covalent,DOUB,C19,O22,,,,,31792,bmse010316,1
25,covalent,SING,C19,O24,,,,,31792,bmse010316,1
26,covalent,SING,C1,H25,,,,,31792,bmse010316,1
27,covalent,SING,C1,H26,,,,,31792,bmse010316,1
28,covalent,SING,C1,H27,,,,,31792,bmse010316,1
29,covalent,SING,C2,H28,,,,,31792,bmse010316,1
30,covalent,SING,C2,H29,,,,,31792,bmse010316,1
31,covalent,SING,C3,H30,,,,,31792,bmse010316,1
32,covalent,SING,C3,H31,,,,,31792,bmse010316,1
33,covalent,SING,C4,H32,,,,,31792,bmse010316,1
34,covalent,SING,C5,H33,,,,,31792,bmse010316,1
35,covalent,SING,C6,H34,,,,,31792,bmse010316,1
36,covalent,SING,C7,H35,,,,,31792,bmse010316,1
37,covalent,SING,C7,H36,,,,,31792,bmse010316,1
38,covalent,SING,C8,H37,,,,,31792,bmse010316,1
39,covalent,SING,C9,H38,,,,,31792,bmse010316,1
40,covalent,SING,C10,H39,,,,,31792,bmse010316,1
41,covalent,SING,C11,H40,,,,,31792,bmse010316,1
42,covalent,SING,C11,H41,,,,,31792,bmse010316,1
43,covalent,SING,C12,H42,,,,,31792,bmse010316,1
44,covalent,SING,C12,H43,,,,,31792,bmse010316,1
45,covalent,SING,C13,H44,,,,,31792,bmse010316,1
46,covalent,SING,O20,H45,,,,,31792,bmse010316,1
47,covalent,SING,O21,H46,,,,,31792,bmse010316,1
1,covalent,SING,C1,O24,,,,,31812,bmse010317,1
2,covalent,SING,C2,O25,,,,,31812,bmse010317,1
3,covalent,SING,C3,C4,,,,,31812,bmse010317,1
4,covalent,SING,C3,C11,,,,,31812,bmse010317,1
5,covalent,SING,C4,C15,,,,,31812,bmse010317,1
6,covalent,SING,C5,C8,,,,,31812,bmse010317,1
7,covalent,DOUB,C5,C14,,,,,31812,bmse010317,1
8,covalent,DOUB,C6,C9,,,,,31812,bmse010317,1
9,covalent,SING,C6,C14,,,,,31812,bmse010317,1
10,covalent,SING,C7,C10,,,,,31812,bmse010317,1
11,covalent,SING,C7,C14,,,,,31812,bmse010317,1
12,covalent,DOUB,C8,C16,,,,,31812,bmse010317,1
13,covalent,SING,C9,C16,,,,,31812,bmse010317,1
14,covalent,SING,C10,C19,,,,,31812,bmse010317,1
15,covalent,SING,C11,O26,,,,,31812,bmse010317,1
16,covalent,DOUB,C12,C15,,,,,31812,bmse010317,1
17,covalent,SING,C12,C17,,,,,31812,bmse010317,1
18,covalent,SING,C13,C15,,,,,31812,bmse010317,1
19,covalent,DOUB,C13,C18,,,,,31812,bmse010317,1
20,covalent,SING,C16,O21,,,,,31812,bmse010317,1
21,covalent,DOUB,C17,C20,,,,,31812,bmse010317,1
22,covalent,SING,C17,O24,,,,,31812,bmse010317,1
23,covalent,SING,C18,C20,,,,,31812,bmse010317,1
24,covalent,SING,C18,O25,,,,,31812,bmse010317,1
25,covalent,DOUB,C19,O22,,,,,31812,bmse010317,1
26,covalent,SING,C19,O26,,,,,31812,bmse010317,1
27,covalent,SING,C20,O23,,,,,31812,bmse010317,1
28,covalent,SING,C1,H27,,,,,31812,bmse010317,1
29,covalent,SING,C1,H28,,,,,31812,bmse010317,1
30,covalent,SING,C1,H29,,,,,31812,bmse010317,1
31,covalent,SING,C2,H32,,,,,31812,bmse010317,1
32,covalent,SING,C2,H31,,,,,31812,bmse010317,1
33,covalent,SING,C2,H30,,,,,31812,bmse010317,1
34,covalent,SING,C3,H33,,,,,31812,bmse010317,1
35,covalent,SING,C3,H34,,,,,31812,bmse010317,1
36,covalent,SING,C4,H35,,,,,31812,bmse010317,1
37,covalent,SING,C4,H36,,,,,31812,bmse010317,1
38,covalent,SING,C5,H37,,,,,31812,bmse010317,1
39,covalent,SING,C6,H38,,,,,31812,bmse010317,1
40,covalent,SING,C7,H39,,,,,31812,bmse010317,1
41,covalent,SING,C7,H40,,,,,31812,bmse010317,1
42,covalent,SING,C8,H41,,,,,31812,bmse010317,1
43,covalent,SING,C9,H42,,,,,31812,bmse010317,1
44,covalent,SING,C10,H43,,,,,31812,bmse010317,1
45,covalent,SING,C10,H44,,,,,31812,bmse010317,1
46,covalent,SING,C11,H45,,,,,31812,bmse010317,1
47,covalent,SING,C11,H46,,,,,31812,bmse010317,1
48,covalent,SING,C12,H47,,,,,31812,bmse010317,1
49,covalent,SING,C13,H48,,,,,31812,bmse010317,1
50,covalent,SING,O21,H49,,,,,31812,bmse010317,1
51,covalent,SING,O23,H50,,,,,31812,bmse010317,1
1,covalent,SING,C1,O24,,,,,31832,bmse010318,1
2,covalent,SING,C2,O25,,,,,31832,bmse010318,1
3,covalent,DOUB,C3,C4,,,,,31832,bmse010318,1
4,covalent,SING,C3,C11,,,,,31832,bmse010318,1
5,covalent,SING,C4,C15,,,,,31832,bmse010318,1
6,covalent,SING,C5,C8,,,,,31832,bmse010318,1
7,covalent,DOUB,C5,C14,,,,,31832,bmse010318,1
8,covalent,DOUB,C6,C9,,,,,31832,bmse010318,1
9,covalent,SING,C6,C14,,,,,31832,bmse010318,1
10,covalent,DOUB,C7,C10,,,,,31832,bmse010318,1
11,covalent,SING,C7,C14,,,,,31832,bmse010318,1
12,covalent,DOUB,C8,C16,,,,,31832,bmse010318,1
13,covalent,SING,C9,C16,,,,,31832,bmse010318,1
14,covalent,SING,C10,C19,,,,,31832,bmse010318,1
15,covalent,SING,C11,O26,,,,,31832,bmse010318,1
16,covalent,DOUB,C12,C15,,,,,31832,bmse010318,1
17,covalent,SING,C12,C17,,,,,31832,bmse010318,1
18,covalent,SING,C13,C15,,,,,31832,bmse010318,1
19,covalent,DOUB,C13,C18,,,,,31832,bmse010318,1
20,covalent,SING,C16,O21,,,,,31832,bmse010318,1
21,covalent,DOUB,C17,C20,,,,,31832,bmse010318,1
22,covalent,SING,C17,O24,,,,,31832,bmse010318,1
23,covalent,SING,C18,C20,,,,,31832,bmse010318,1
24,covalent,SING,C18,O25,,,,,31832,bmse010318,1
25,covalent,DOUB,C19,O22,,,,,31832,bmse010318,1
26,covalent,SING,C19,O26,,,,,31832,bmse010318,1
27,covalent,SING,C20,O23,,,,,31832,bmse010318,1
28,covalent,SING,C1,H28,,,,,31832,bmse010318,1
29,covalent,SING,C1,H29,,,,,31832,bmse010318,1
30,covalent,SING,C1,H27,,,,,31832,bmse010318,1
31,covalent,SING,C2,H31,,,,,31832,bmse010318,1
32,covalent,SING,C2,H30,,,,,31832,bmse010318,1
33,covalent,SING,C2,H32,,,,,31832,bmse010318,1
34,covalent,SING,C3,H33,,,,,31832,bmse010318,1
35,covalent,SING,C4,H34,,,,,31832,bmse010318,1
36,covalent,SING,C5,H35,,,,,31832,bmse010318,1
37,covalent,SING,C6,H36,,,,,31832,bmse010318,1
38,covalent,SING,C7,H37,,,,,31832,bmse010318,1
39,covalent,SING,C8,H38,,,,,31832,bmse010318,1
40,covalent,SING,C9,H39,,,,,31832,bmse010318,1
41,covalent,SING,C10,H40,,,,,31832,bmse010318,1
42,covalent,SING,C11,H41,,,,,31832,bmse010318,1
43,covalent,SING,C11,H42,,,,,31832,bmse010318,1
44,covalent,SING,C12,H43,,,,,31832,bmse010318,1
45,covalent,SING,C13,H44,,,,,31832,bmse010318,1
46,covalent,SING,O21,H45,,,,,31832,bmse010318,1
47,covalent,SING,O23,H46,,,,,31832,bmse010318,1
1,covalent,SING,C1,C19,,,,,31852,bmse010319,1
2,covalent,SING,C2,C20,,,,,31852,bmse010319,1
3,covalent,SING,C3,O36,,,,,31852,bmse010319,1
4,covalent,SING,C4,O37,,,,,31852,bmse010319,1
5,covalent,SING,C5,O38,,,,,31852,bmse010319,1
6,covalent,DOUB,C6,C7,,,,,31852,bmse010319,1
7,covalent,SING,C6,C8,,,,,31852,bmse010319,1
8,covalent,SING,C7,C9,,,,,31852,bmse010319,1
9,covalent,DOUB,C8,C24,,,,,31852,bmse010319,1
10,covalent,DOUB,C9,C25,,,,,31852,bmse010319,1
11,covalent,SING,C10,C13,,,,,31852,bmse010319,1
12,covalent,DOUB,C10,C21,,,,,31852,bmse010319,1
13,covalent,DOUB,C11,C14,,,,,31852,bmse010319,1
14,covalent,SING,C11,C21,,,,,31852,bmse010319,1
15,covalent,DOUB,C12,C15,,,,,31852,bmse010319,1
16,covalent,SING,C12,C21,,,,,31852,bmse010319,1
17,covalent,DOUB,C13,C23,,,,,31852,bmse010319,1
18,covalent,SING,C14,C23,,,,,31852,bmse010319,1
19,covalent,SING,C15,C29,,,,,31852,bmse010319,1
20,covalent,DOUB,C16,C22,,,,,31852,bmse010319,1
21,covalent,SING,C16,C26,,,,,31852,bmse010319,1
22,covalent,SING,C17,C22,,,,,31852,bmse010319,1
23,covalent,DOUB,C17,C27,,,,,31852,bmse010319,1
24,covalent,SING,C18,C28,,,,,31852,bmse010319,1
25,covalent,SING,C18,O39,,,,,31852,bmse010319,1
26,covalent,DOUB,C19,O32,,,,,31852,bmse010319,1
27,covalent,SING,C19,O40,,,,,31852,bmse010319,1
28,covalent,DOUB,C20,O33,,,,,31852,bmse010319,1
29,covalent,SING,C20,O41,,,,,31852,bmse010319,1
30,covalent,SING,C22,C30,,,,,31852,bmse010319,1
31,covalent,SING,C23,O40,,,,,31852,bmse010319,1
32,covalent,SING,C24,C25,,,,,31852,bmse010319,1
33,covalent,SING,C24,O36,,,,,31852,bmse010319,1
34,covalent,SING,C25,O42,,,,,31852,bmse010319,1
35,covalent,DOUB,C26,C31,,,,,31852,bmse010319,1
36,covalent,SING,C26,O37,,,,,31852,bmse010319,1
37,covalent,SING,C27,C31,,,,,31852,bmse010319,1
38,covalent,SING,C27,O38,,,,,31852,bmse010319,1
39,covalent,SING,C28,C30,,,,,31852,bmse010319,1
40,covalent,SING,C28,O42,,,,,31852,bmse010319,1
41,covalent,DOUB,C29,O34,,,,,31852,bmse010319,1
42,covalent,SING,C29,O39,,,,,31852,bmse010319,1
43,covalent,DOUB,C30,O35,,,,,31852,bmse010319,1
44,covalent,SING,C31,O41,,,,,31852,bmse010319,1
45,covalent,SING,C1,H44,,,,,31852,bmse010319,1
46,covalent,SING,C1,H45,,,,,31852,bmse010319,1
47,covalent,SING,C1,H43,,,,,31852,bmse010319,1
48,covalent,SING,C2,H47,,,,,31852,bmse010319,1
49,covalent,SING,C2,H48,,,,,31852,bmse010319,1
50,covalent,SING,C2,H46,,,,,31852,bmse010319,1
51,covalent,SING,C3,H50,,,,,31852,bmse010319,1
52,covalent,SING,C3,H49,,,,,31852,bmse010319,1
53,covalent,SING,C3,H51,,,,,31852,bmse010319,1
54,covalent,SING,C4,H54,,,,,31852,bmse010319,1
55,covalent,SING,C4,H53,,,,,31852,bmse010319,1
56,covalent,SING,C4,H52,,,,,31852,bmse010319,1
57,covalent,SING,C5,H55,,,,,31852,bmse010319,1
58,covalent,SING,C5,H56,,,,,31852,bmse010319,1
59,covalent,SING,C5,H57,,,,,31852,bmse010319,1
60,covalent,SING,C6,H58,,,,,31852,bmse010319,1
61,covalent,SING,C7,H59,,,,,31852,bmse010319,1
62,covalent,SING,C8,H60,,,,,31852,bmse010319,1
63,covalent,SING,C9,H61,,,,,31852,bmse010319,1
64,covalent,SING,C10,H62,,,,,31852,bmse010319,1
65,covalent,SING,C11,H63,,,,,31852,bmse010319,1
66,covalent,SING,C12,H64,,,,,31852,bmse010319,1
67,covalent,SING,C13,H65,,,,,31852,bmse010319,1
68,covalent,SING,C14,H66,,,,,31852,bmse010319,1
69,covalent,SING,C15,H67,,,,,31852,bmse010319,1
70,covalent,SING,C16,H68,,,,,31852,bmse010319,1
71,covalent,SING,C17,H69,,,,,31852,bmse010319,1
72,covalent,SING,C18,H70,,,,,31852,bmse010319,1
73,covalent,SING,C18,H71,,,,,31852,bmse010319,1
74,covalent,SING,C28,H72,,,,,31852,bmse010319,1
1,covalent,SING,C1,C12,,,,,31872,bmse010320,1
2,covalent,SING,C2,O24,,,,,31872,bmse010320,1
3,covalent,SING,C3,O25,,,,,31872,bmse010320,1
4,covalent,SING,C4,O26,,,,,31872,bmse010320,1
5,covalent,DOUB,C5,C6,,,,,31872,bmse010320,1
6,covalent,SING,C5,C7,,,,,31872,bmse010320,1
7,covalent,SING,C6,C8,,,,,31872,bmse010320,1
8,covalent,DOUB,C7,C14,,,,,31872,bmse010320,1
9,covalent,DOUB,C8,C15,,,,,31872,bmse010320,1
10,covalent,DOUB,C9,C13,,,,,31872,bmse010320,1
11,covalent,SING,C9,C16,,,,,31872,bmse010320,1
12,covalent,SING,C10,C13,,,,,31872,bmse010320,1
13,covalent,DOUB,C10,C17,,,,,31872,bmse010320,1
14,covalent,SING,C11,C18,,,,,31872,bmse010320,1
15,covalent,SING,C11,O21,,,,,31872,bmse010320,1
16,covalent,DOUB,C12,O22,,,,,31872,bmse010320,1
17,covalent,SING,C12,O27,,,,,31872,bmse010320,1
18,covalent,SING,C13,C19,,,,,31872,bmse010320,1
19,covalent,SING,C14,C15,,,,,31872,bmse010320,1
20,covalent,SING,C14,O24,,,,,31872,bmse010320,1
21,covalent,SING,C15,O28,,,,,31872,bmse010320,1
22,covalent,DOUB,C16,C20,,,,,31872,bmse010320,1
23,covalent,SING,C16,O25,,,,,31872,bmse010320,1
24,covalent,SING,C17,C20,,,,,31872,bmse010320,1
25,covalent,SING,C17,O26,,,,,31872,bmse010320,1
26,covalent,SING,C18,C19,,,,,31872,bmse010320,1
27,covalent,SING,C18,O28,,,,,31872,bmse010320,1
28,covalent,DOUB,C19,O23,,,,,31872,bmse010320,1
29,covalent,SING,C20,O27,,,,,31872,bmse010320,1
30,covalent,SING,C1,H31,,,,,31872,bmse010320,1
31,covalent,SING,C1,H30,,,,,31872,bmse010320,1
32,covalent,SING,C1,H29,,,,,31872,bmse010320,1
33,covalent,SING,C2,H33,,,,,31872,bmse010320,1
34,covalent,SING,C2,H32,,,,,31872,bmse010320,1
35,covalent,SING,C2,H34,,,,,31872,bmse010320,1
36,covalent,SING,C3,H35,,,,,31872,bmse010320,1
37,covalent,SING,C3,H36,,,,,31872,bmse010320,1
38,covalent,SING,C3,H37,,,,,31872,bmse010320,1
39,covalent,SING,C4,H39,,,,,31872,bmse010320,1
40,covalent,SING,C4,H40,,,,,31872,bmse010320,1
41,covalent,SING,C4,H38,,,,,31872,bmse010320,1
42,covalent,SING,C5,H41,,,,,31872,bmse010320,1
43,covalent,SING,C6,H42,,,,,31872,bmse010320,1
44,covalent,SING,C7,H43,,,,,31872,bmse010320,1
45,covalent,SING,C8,H44,,,,,31872,bmse010320,1
46,covalent,SING,C9,H45,,,,,31872,bmse010320,1
47,covalent,SING,C10,H46,,,,,31872,bmse010320,1
48,covalent,SING,C11,H47,,,,,31872,bmse010320,1
49,covalent,SING,C11,H48,,,,,31872,bmse010320,1
50,covalent,SING,C18,H49,,,,,31872,bmse010320,1
51,covalent,SING,O21,H50,,,,,31872,bmse010320,1
1,covalent,SING,C1,C19,,,,,31886,bmse010321,1
2,covalent,SING,C2,C20,,,,,31886,bmse010321,1
3,covalent,SING,C3,O36,,,,,31886,bmse010321,1
4,covalent,SING,C4,O37,,,,,31886,bmse010321,1
5,covalent,SING,C5,O38,,,,,31886,bmse010321,1
6,covalent,DOUB,C6,C7,,,,,31886,bmse010321,1
7,covalent,SING,C6,C8,,,,,31886,bmse010321,1
8,covalent,SING,C7,C9,,,,,31886,bmse010321,1
9,covalent,DOUB,C8,C24,,,,,31886,bmse010321,1
10,covalent,DOUB,C9,C25,,,,,31886,bmse010321,1
11,covalent,SING,C10,C13,,,,,31886,bmse010321,1
12,covalent,DOUB,C10,C21,,,,,31886,bmse010321,1
13,covalent,DOUB,C11,C14,,,,,31886,bmse010321,1
14,covalent,SING,C11,C21,,,,,31886,bmse010321,1
15,covalent,DOUB,C12,C15,,,,,31886,bmse010321,1
16,covalent,SING,C12,C21,,,,,31886,bmse010321,1
17,covalent,DOUB,C13,C23,,,,,31886,bmse010321,1
18,covalent,SING,C14,C23,,,,,31886,bmse010321,1
19,covalent,SING,C15,C29,,,,,31886,bmse010321,1
20,covalent,DOUB,C16,C22,,,,,31886,bmse010321,1
21,covalent,SING,C16,C26,,,,,31886,bmse010321,1
22,covalent,SING,C17,C22,,,,,31886,bmse010321,1
23,covalent,DOUB,C17,C27,,,,,31886,bmse010321,1
24,covalent,SING,C18,C28,,,,,31886,bmse010321,1
25,covalent,SING,C18,O39,,,,,31886,bmse010321,1
26,covalent,DOUB,C19,O32,,,,,31886,bmse010321,1
27,covalent,SING,C19,O40,,,,,31886,bmse010321,1
28,covalent,DOUB,C20,O33,,,,,31886,bmse010321,1
29,covalent,SING,C20,O41,,,,,31886,bmse010321,1
30,covalent,SING,C22,C30,,,,,31886,bmse010321,1
31,covalent,SING,C23,O40,,,,,31886,bmse010321,1
32,covalent,SING,C24,C25,,,,,31886,bmse010321,1
33,covalent,SING,C24,O36,,,,,31886,bmse010321,1
34,covalent,SING,C25,O42,,,,,31886,bmse010321,1
35,covalent,DOUB,C26,C31,,,,,31886,bmse010321,1
36,covalent,SING,C26,O37,,,,,31886,bmse010321,1
37,covalent,SING,C27,C31,,,,,31886,bmse010321,1
38,covalent,SING,C27,O38,,,,,31886,bmse010321,1
39,covalent,SING,C28,C30,,,,,31886,bmse010321,1
40,covalent,SING,C28,O42,,,,,31886,bmse010321,1
41,covalent,DOUB,C29,O34,,,,,31886,bmse010321,1
42,covalent,SING,C29,O39,,,,,31886,bmse010321,1
43,covalent,SING,C30,O35,,,,,31886,bmse010321,1
44,covalent,SING,C31,O41,,,,,31886,bmse010321,1
45,covalent,SING,C1,H44,,,,,31886,bmse010321,1
46,covalent,SING,C1,H45,,,,,31886,bmse010321,1
47,covalent,SING,C1,H43,,,,,31886,bmse010321,1
48,covalent,SING,C2,H47,,,,,31886,bmse010321,1
49,covalent,SING,C2,H48,,,,,31886,bmse010321,1
50,covalent,SING,C2,H46,,,,,31886,bmse010321,1
51,covalent,SING,C3,H50,,,,,31886,bmse010321,1
52,covalent,SING,C3,H49,,,,,31886,bmse010321,1
53,covalent,SING,C3,H51,,,,,31886,bmse010321,1
54,covalent,SING,C4,H53,,,,,31886,bmse010321,1
55,covalent,SING,C4,H54,,,,,31886,bmse010321,1
56,covalent,SING,C4,H52,,,,,31886,bmse010321,1
57,covalent,SING,C5,H55,,,,,31886,bmse010321,1
58,covalent,SING,C5,H56,,,,,31886,bmse010321,1
59,covalent,SING,C5,H57,,,,,31886,bmse010321,1
60,covalent,SING,C6,H58,,,,,31886,bmse010321,1
61,covalent,SING,C7,H59,,,,,31886,bmse010321,1
62,covalent,SING,C8,H60,,,,,31886,bmse010321,1
63,covalent,SING,C9,H61,,,,,31886,bmse010321,1
64,covalent,SING,C10,H62,,,,,31886,bmse010321,1
65,covalent,SING,C11,H63,,,,,31886,bmse010321,1
66,covalent,SING,C12,H64,,,,,31886,bmse010321,1
67,covalent,SING,C13,H65,,,,,31886,bmse010321,1
68,covalent,SING,C14,H66,,,,,31886,bmse010321,1
69,covalent,SING,C15,H67,,,,,31886,bmse010321,1
70,covalent,SING,C16,H68,,,,,31886,bmse010321,1
71,covalent,SING,C17,H69,,,,,31886,bmse010321,1
72,covalent,SING,C18,H70,,,,,31886,bmse010321,1
73,covalent,SING,C18,H71,,,,,31886,bmse010321,1
74,covalent,SING,C28,H72,,,,,31886,bmse010321,1
75,covalent,SING,C30,H73,,,,,31886,bmse010321,1
76,covalent,SING,O35,H74,,,,,31886,bmse010321,1
1,covalent,SING,C1,C17,,,,,31900,bmse010322,1
2,covalent,SING,C2,C18,,,,,31900,bmse010322,1
3,covalent,SING,C3,C19,,,,,31900,bmse010322,1
4,covalent,SING,C4,C20,,,,,31900,bmse010322,1
5,covalent,SING,C5,O33,,,,,31900,bmse010322,1
6,covalent,SING,C6,O34,,,,,31900,bmse010322,1
7,covalent,DOUB,C7,C9,,,,,31900,bmse010322,1
8,covalent,SING,C7,C21,,,,,31900,bmse010322,1
9,covalent,DOUB,C8,C10,,,,,31900,bmse010322,1
10,covalent,SING,C8,C22,,,,,31900,bmse010322,1
11,covalent,SING,C9,C25,,,,,31900,bmse010322,1
12,covalent,SING,C10,C26,,,,,31900,bmse010322,1
13,covalent,SING,C11,C21,,,,,31900,bmse010322,1
14,covalent,SING,C23,C11,,,,,31900,bmse010322,1
15,covalent,SING,C12,C22,,,,,31900,bmse010322,1
16,covalent,SING,C24,C12,,,,,31900,bmse010322,1
17,covalent,DOUB,C13,C21,,,,,31900,bmse010322,1
18,covalent,SING,C13,C27,,,,,31900,bmse010322,1
19,covalent,DOUB,C14,C22,,,,,31900,bmse010322,1
20,covalent,SING,C14,C28,,,,,31900,bmse010322,1
21,covalent,SING,C15,C23,,,,,31900,bmse010322,1
22,covalent,SING,C15,O35,,,,,31900,bmse010322,1
23,covalent,SING,C16,C24,,,,,31900,bmse010322,1
24,covalent,SING,C16,O36,,,,,31900,bmse010322,1
25,covalent,DOUB,C17,O29,,,,,31900,bmse010322,1
26,covalent,SING,C17,O35,,,,,31900,bmse010322,1
27,covalent,DOUB,C18,O30,,,,,31900,bmse010322,1
28,covalent,SING,C18,O36,,,,,31900,bmse010322,1
29,covalent,DOUB,C19,O31,,,,,31900,bmse010322,1
30,covalent,SING,C19,O37,,,,,31900,bmse010322,1
31,covalent,DOUB,C20,O32,,,,,31900,bmse010322,1
32,covalent,SING,C20,O38,,,,,31900,bmse010322,1
33,covalent,SING,C23,C24,,,,,31900,bmse010322,1
34,covalent,DOUB,C25,C27,,,,,31900,bmse010322,1
35,covalent,SING,C25,O37,,,,,31900,bmse010322,1
36,covalent,DOUB,C26,C28,,,,,31900,bmse010322,1
37,covalent,SING,C26,O38,,,,,31900,bmse010322,1
38,covalent,SING,C27,O33,,,,,31900,bmse010322,1
39,covalent,SING,C28,O34,,,,,31900,bmse010322,1
40,covalent,SING,C1,H40,,,,,31900,bmse010322,1
41,covalent,SING,C1,H41,,,,,31900,bmse010322,1
42,covalent,SING,C1,H39,,,,,31900,bmse010322,1
43,covalent,SING,C2,H44,,,,,31900,bmse010322,1
44,covalent,SING,C2,H42,,,,,31900,bmse010322,1
45,covalent,SING,C2,H43,,,,,31900,bmse010322,1
46,covalent,SING,C3,H46,,,,,31900,bmse010322,1
47,covalent,SING,C3,H45,,,,,31900,bmse010322,1
48,covalent,SING,C3,H47,,,,,31900,bmse010322,1
49,covalent,SING,C4,H49,,,,,31900,bmse010322,1
50,covalent,SING,C4,H48,,,,,31900,bmse010322,1
51,covalent,SING,C4,H50,,,,,31900,bmse010322,1
52,covalent,SING,C5,H52,,,,,31900,bmse010322,1
53,covalent,SING,C5,H53,,,,,31900,bmse010322,1
54,covalent,SING,C5,H51,,,,,31900,bmse010322,1
55,covalent,SING,C6,H54,,,,,31900,bmse010322,1
56,covalent,SING,C6,H55,,,,,31900,bmse010322,1
57,covalent,SING,C6,H56,,,,,31900,bmse010322,1
58,covalent,SING,C7,H57,,,,,31900,bmse010322,1
59,covalent,SING,C8,H58,,,,,31900,bmse010322,1
60,covalent,SING,C9,H59,,,,,31900,bmse010322,1
61,covalent,SING,C10,H60,,,,,31900,bmse010322,1
62,covalent,SING,C11,H61,,,,,31900,bmse010322,1
63,covalent,SING,C11,H62,,,,,31900,bmse010322,1
64,covalent,SING,C12,H63,,,,,31900,bmse010322,1
65,covalent,SING,C12,H64,,,,,31900,bmse010322,1
66,covalent,SING,C13,H65,,,,,31900,bmse010322,1
67,covalent,SING,C14,H66,,,,,31900,bmse010322,1
68,covalent,SING,C15,H67,,,,,31900,bmse010322,1
69,covalent,SING,C15,H68,,,,,31900,bmse010322,1
70,covalent,SING,C16,H69,,,,,31900,bmse010322,1
71,covalent,SING,C16,H70,,,,,31900,bmse010322,1
72,covalent,SING,C23,H71,,,,,31900,bmse010322,1
73,covalent,SING,C24,H72,,,,,31900,bmse010322,1
1,covalent,SING,C1,O33,,,,,31914,bmse010323,1
2,covalent,SING,C2,O34,,,,,31914,bmse010323,1
3,covalent,SING,C3,O35,,,,,31914,bmse010323,1
4,covalent,SING,C4,O36,,,,,31914,bmse010323,1
5,covalent,DOUB,C5,C6,,,,,31914,bmse010323,1
6,covalent,SING,C5,C7,,,,,31914,bmse010323,1
7,covalent,SING,C6,C20,,,,,31914,bmse010323,1
8,covalent,DOUB,C7,C21,,,,,31914,bmse010323,1
9,covalent,SING,C8,C11,,,,,31914,bmse010323,1
10,covalent,DOUB,C8,C17,,,,,31914,bmse010323,1
11,covalent,DOUB,C9,C12,,,,,31914,bmse010323,1
12,covalent,SING,C9,C17,,,,,31914,bmse010323,1
13,covalent,DOUB,C10,C13,,,,,31914,bmse010323,1
14,covalent,SING,C10,C17,,,,,31914,bmse010323,1
15,covalent,DOUB,C11,C19,,,,,31914,bmse010323,1
16,covalent,SING,C12,C19,,,,,31914,bmse010323,1
17,covalent,SING,C13,C25,,,,,31914,bmse010323,1
18,covalent,DOUB,C14,C18,,,,,31914,bmse010323,1
19,covalent,SING,C14,C22,,,,,31914,bmse010323,1
20,covalent,SING,C15,C18,,,,,31914,bmse010323,1
21,covalent,DOUB,C15,C23,,,,,31914,bmse010323,1
22,covalent,SING,C16,C24,,,,,31914,bmse010323,1
23,covalent,SING,C16,O37,,,,,31914,bmse010323,1
24,covalent,SING,C18,C26,,,,,31914,bmse010323,1
25,covalent,SING,C19,O29,,,,,31914,bmse010323,1
26,covalent,DOUB,C20,C28,,,,,31914,bmse010323,1
27,covalent,SING,C20,O33,,,,,31914,bmse010323,1
28,covalent,SING,C21,C28,,,,,31914,bmse010323,1
29,covalent,SING,C21,O34,,,,,31914,bmse010323,1
30,covalent,DOUB,C22,C27,,,,,31914,bmse010323,1
31,covalent,SING,C22,O35,,,,,31914,bmse010323,1
32,covalent,SING,C23,C27,,,,,31914,bmse010323,1
33,covalent,SING,C23,O36,,,,,31914,bmse010323,1
34,covalent,SING,C24,C26,,,,,31914,bmse010323,1
35,covalent,SING,C24,O38,,,,,31914,bmse010323,1
36,covalent,DOUB,C25,O30,,,,,31914,bmse010323,1
37,covalent,SING,C25,O37,,,,,31914,bmse010323,1
38,covalent,SING,C26,O31,,,,,31914,bmse010323,1
39,covalent,SING,C27,O32,,,,,31914,bmse010323,1
40,covalent,SING,C28,O38,,,,,31914,bmse010323,1
41,covalent,SING,C1,H39,,,,,31914,bmse010323,1
42,covalent,SING,C1,H41,,,,,31914,bmse010323,1
43,covalent,SING,C1,H40,,,,,31914,bmse010323,1
44,covalent,SING,C2,H43,,,,,31914,bmse010323,1
45,covalent,SING,C2,H42,,,,,31914,bmse010323,1
46,covalent,SING,C2,H44,,,,,31914,bmse010323,1
47,covalent,SING,C3,H47,,,,,31914,bmse010323,1
48,covalent,SING,C3,H46,,,,,31914,bmse010323,1
49,covalent,SING,C3,H45,,,,,31914,bmse010323,1
50,covalent,SING,C4,H50,,,,,31914,bmse010323,1
51,covalent,SING,C4,H49,,,,,31914,bmse010323,1
52,covalent,SING,C4,H48,,,,,31914,bmse010323,1
53,covalent,SING,C5,H51,,,,,31914,bmse010323,1
54,covalent,SING,C6,H52,,,,,31914,bmse010323,1
55,covalent,SING,C7,H53,,,,,31914,bmse010323,1
56,covalent,SING,C8,H54,,,,,31914,bmse010323,1
57,covalent,SING,C9,H55,,,,,31914,bmse010323,1
58,covalent,SING,C10,H56,,,,,31914,bmse010323,1
59,covalent,SING,C11,H57,,,,,31914,bmse010323,1
60,covalent,SING,C12,H58,,,,,31914,bmse010323,1
61,covalent,SING,C13,H59,,,,,31914,bmse010323,1
62,covalent,SING,C14,H60,,,,,31914,bmse010323,1
63,covalent,SING,C15,H61,,,,,31914,bmse010323,1
64,covalent,SING,C16,H62,,,,,31914,bmse010323,1
65,covalent,SING,C16,H63,,,,,31914,bmse010323,1
66,covalent,SING,C24,H64,,,,,31914,bmse010323,1
67,covalent,SING,C26,H65,,,,,31914,bmse010323,1
68,covalent,SING,O29,H66,,,,,31914,bmse010323,1
69,covalent,SING,O31,H67,,,,,31914,bmse010323,1
70,covalent,SING,O32,H68,,,,,31914,bmse010323,1
1,covalent,SING,C1,O33,,,,,31934,bmse010324,1
2,covalent,SING,C2,O34,,,,,31934,bmse010324,1
3,covalent,SING,C3,O35,,,,,31934,bmse010324,1
4,covalent,SING,C4,O36,,,,,31934,bmse010324,1
5,covalent,DOUB,C5,C6,,,,,31934,bmse010324,1
6,covalent,SING,C5,C7,,,,,31934,bmse010324,1
7,covalent,SING,C6,C20,,,,,31934,bmse010324,1
8,covalent,DOUB,C7,C21,,,,,31934,bmse010324,1
9,covalent,SING,C8,C11,,,,,31934,bmse010324,1
10,covalent,DOUB,C8,C17,,,,,31934,bmse010324,1
11,covalent,DOUB,C9,C12,,,,,31934,bmse010324,1
12,covalent,SING,C9,C17,,,,,31934,bmse010324,1
13,covalent,DOUB,C10,C13,,,,,31934,bmse010324,1
14,covalent,SING,C10,C17,,,,,31934,bmse010324,1
15,covalent,DOUB,C11,C19,,,,,31934,bmse010324,1
16,covalent,SING,C12,C19,,,,,31934,bmse010324,1
17,covalent,SING,C13,C25,,,,,31934,bmse010324,1
18,covalent,DOUB,C14,C18,,,,,31934,bmse010324,1
19,covalent,SING,C14,C22,,,,,31934,bmse010324,1
20,covalent,SING,C15,C18,,,,,31934,bmse010324,1
21,covalent,DOUB,C15,C23,,,,,31934,bmse010324,1
22,covalent,SING,C16,C24,,,,,31934,bmse010324,1
23,covalent,SING,C16,O37,,,,,31934,bmse010324,1
24,covalent,SING,C18,C26,,,,,31934,bmse010324,1
25,covalent,SING,C19,O29,,,,,31934,bmse010324,1
26,covalent,DOUB,C20,C28,,,,,31934,bmse010324,1
27,covalent,SING,C20,O33,,,,,31934,bmse010324,1
28,covalent,SING,C21,C28,,,,,31934,bmse010324,1
29,covalent,SING,C21,O34,,,,,31934,bmse010324,1
30,covalent,DOUB,C22,C27,,,,,31934,bmse010324,1
31,covalent,SING,C22,O35,,,,,31934,bmse010324,1
32,covalent,SING,C23,C27,,,,,31934,bmse010324,1
33,covalent,SING,C23,O36,,,,,31934,bmse010324,1
34,covalent,SING,C24,C26,,,,,31934,bmse010324,1
35,covalent,SING,C24,O38,,,,,31934,bmse010324,1
36,covalent,DOUB,C25,O30,,,,,31934,bmse010324,1
37,covalent,SING,C25,O37,,,,,31934,bmse010324,1
38,covalent,SING,C26,O31,,,,,31934,bmse010324,1
39,covalent,SING,C27,O32,,,,,31934,bmse010324,1
40,covalent,SING,C28,O38,,,,,31934,bmse010324,1
41,covalent,SING,C1,H39,,,,,31934,bmse010324,1
42,covalent,SING,C1,H41,,,,,31934,bmse010324,1
43,covalent,SING,C1,H40,,,,,31934,bmse010324,1
44,covalent,SING,C2,H43,,,,,31934,bmse010324,1
45,covalent,SING,C2,H42,,,,,31934,bmse010324,1
46,covalent,SING,C2,H44,,,,,31934,bmse010324,1
47,covalent,SING,C3,H46,,,,,31934,bmse010324,1
48,covalent,SING,C3,H47,,,,,31934,bmse010324,1
49,covalent,SING,C3,H45,,,,,31934,bmse010324,1
50,covalent,SING,C4,H50,,,,,31934,bmse010324,1
51,covalent,SING,C4,H49,,,,,31934,bmse010324,1
52,covalent,SING,C4,H48,,,,,31934,bmse010324,1
53,covalent,SING,C5,H51,,,,,31934,bmse010324,1
54,covalent,SING,C6,H52,,,,,31934,bmse010324,1
55,covalent,SING,C7,H53,,,,,31934,bmse010324,1
56,covalent,SING,C8,H54,,,,,31934,bmse010324,1
57,covalent,SING,C9,H55,,,,,31934,bmse010324,1
58,covalent,SING,C10,H56,,,,,31934,bmse010324,1
59,covalent,SING,C11,H57,,,,,31934,bmse010324,1
60,covalent,SING,C12,H58,,,,,31934,bmse010324,1
61,covalent,SING,C13,H59,,,,,31934,bmse010324,1
62,covalent,SING,C14,H60,,,,,31934,bmse010324,1
63,covalent,SING,C15,H61,,,,,31934,bmse010324,1
64,covalent,SING,C16,H62,,,,,31934,bmse010324,1
65,covalent,SING,C16,H63,,,,,31934,bmse010324,1
66,covalent,SING,C24,H64,,,,,31934,bmse010324,1
67,covalent,SING,C26,H65,,,,,31934,bmse010324,1
68,covalent,SING,O29,H66,,,,,31934,bmse010324,1
69,covalent,SING,O31,H67,,,,,31934,bmse010324,1
70,covalent,SING,O32,H68,,,,,31934,bmse010324,1
1,covalent,SING,C1,C20,,,,,31954,bmse010325,1
2,covalent,SING,C2,C21,,,,,31954,bmse010325,1
3,covalent,SING,C3,C22,,,,,31954,bmse010325,1
4,covalent,SING,C4,O39,,,,,31954,bmse010325,1
5,covalent,SING,C5,O40,,,,,31954,bmse010325,1
6,covalent,SING,C6,O41,,,,,31954,bmse010325,1
7,covalent,SING,C7,O42,,,,,31954,bmse010325,1
8,covalent,DOUB,C8,C9,,,,,31954,bmse010325,1
9,covalent,SING,C8,C10,,,,,31954,bmse010325,1
10,covalent,SING,C9,C26,,,,,31954,bmse010325,1
11,covalent,DOUB,C10,C27,,,,,31954,bmse010325,1
12,covalent,SING,C11,C14,,,,,31954,bmse010325,1
13,covalent,DOUB,C11,C23,,,,,31954,bmse010325,1
14,covalent,DOUB,C12,C15,,,,,31954,bmse010325,1
15,covalent,SING,C12,C23,,,,,31954,bmse010325,1
16,covalent,DOUB,C13,C16,,,,,31954,bmse010325,1
17,covalent,SING,C13,C23,,,,,31954,bmse010325,1
18,covalent,DOUB,C14,C25,,,,,31954,bmse010325,1
19,covalent,SING,C15,C25,,,,,31954,bmse010325,1
20,covalent,SING,C16,C31,,,,,31954,bmse010325,1
21,covalent,DOUB,C17,C24,,,,,31954,bmse010325,1
22,covalent,SING,C17,C28,,,,,31954,bmse010325,1
23,covalent,SING,C18,C24,,,,,31954,bmse010325,1
24,covalent,DOUB,C18,C29,,,,,31954,bmse010325,1
25,covalent,SING,C19,C30,,,,,31954,bmse010325,1
26,covalent,SING,C19,O43,,,,,31954,bmse010325,1
27,covalent,DOUB,C20,O35,,,,,31954,bmse010325,1
28,covalent,SING,C20,O44,,,,,31954,bmse010325,1
29,covalent,DOUB,C21,O36,,,,,31954,bmse010325,1
30,covalent,SING,C21,O45,,,,,31954,bmse010325,1
31,covalent,DOUB,C22,O37,,,,,31954,bmse010325,1
32,covalent,SING,C22,O46,,,,,31954,bmse010325,1
33,covalent,SING,C24,C32,,,,,31954,bmse010325,1
34,covalent,SING,C25,O44,,,,,31954,bmse010325,1
35,covalent,DOUB,C26,C33,,,,,31954,bmse010325,1
36,covalent,SING,C26,O39,,,,,31954,bmse010325,1
37,covalent,SING,C27,C33,,,,,31954,bmse010325,1
38,covalent,SING,C27,O40,,,,,31954,bmse010325,1
39,covalent,DOUB,C28,C34,,,,,31954,bmse010325,1
40,covalent,SING,C28,O41,,,,,31954,bmse010325,1
41,covalent,SING,C29,C34,,,,,31954,bmse010325,1
42,covalent,SING,C29,O42,,,,,31954,bmse010325,1
43,covalent,SING,C30,C32,,,,,31954,bmse010325,1
44,covalent,SING,C30,O47,,,,,31954,bmse010325,1
45,covalent,DOUB,C31,O38,,,,,31954,bmse010325,1
46,covalent,SING,C31,O43,,,,,31954,bmse010325,1
47,covalent,SING,C32,O45,,,,,31954,bmse010325,1
48,covalent,SING,C33,O47,,,,,31954,bmse010325,1
49,covalent,SING,C34,O46,,,,,31954,bmse010325,1
50,covalent,SING,C1,H49,,,,,31954,bmse010325,1
51,covalent,SING,C1,H50,,,,,31954,bmse010325,1
52,covalent,SING,C1,H48,,,,,31954,bmse010325,1
53,covalent,SING,C2,H51,,,,,31954,bmse010325,1
54,covalent,SING,C2,H53,,,,,31954,bmse010325,1
55,covalent,SING,C2,H52,,,,,31954,bmse010325,1
56,covalent,SING,C3,H54,,,,,31954,bmse010325,1
57,covalent,SING,C3,H56,,,,,31954,bmse010325,1
58,covalent,SING,C3,H55,,,,,31954,bmse010325,1
59,covalent,SING,C4,H57,,,,,31954,bmse010325,1
60,covalent,SING,C4,H59,,,,,31954,bmse010325,1
61,covalent,SING,C4,H58,,,,,31954,bmse010325,1
62,covalent,SING,C5,H61,,,,,31954,bmse010325,1
63,covalent,SING,C5,H60,,,,,31954,bmse010325,1
64,covalent,SING,C5,H62,,,,,31954,bmse010325,1
65,covalent,SING,C6,H65,,,,,31954,bmse010325,1
66,covalent,SING,C6,H64,,,,,31954,bmse010325,1
67,covalent,SING,C6,H63,,,,,31954,bmse010325,1
68,covalent,SING,C7,H68,,,,,31954,bmse010325,1
69,covalent,SING,C7,H67,,,,,31954,bmse010325,1
70,covalent,SING,C7,H66,,,,,31954,bmse010325,1
71,covalent,SING,C8,H69,,,,,31954,bmse010325,1
72,covalent,SING,C9,H70,,,,,31954,bmse010325,1
73,covalent,SING,C10,H71,,,,,31954,bmse010325,1
74,covalent,SING,C11,H72,,,,,31954,bmse010325,1
75,covalent,SING,C12,H73,,,,,31954,bmse010325,1
76,covalent,SING,C13,H74,,,,,31954,bmse010325,1
77,covalent,SING,C14,H75,,,,,31954,bmse010325,1
78,covalent,SING,C15,H76,,,,,31954,bmse010325,1
79,covalent,SING,C16,H77,,,,,31954,bmse010325,1
80,covalent,SING,C17,H78,,,,,31954,bmse010325,1
81,covalent,SING,C18,H79,,,,,31954,bmse010325,1
82,covalent,SING,C19,H80,,,,,31954,bmse010325,1
83,covalent,SING,C19,H81,,,,,31954,bmse010325,1
84,covalent,SING,C30,H82,,,,,31954,bmse010325,1
85,covalent,SING,C32,H83,,,,,31954,bmse010325,1
1,covalent,SING,C1,C20,,,,,31974,bmse010326,1
2,covalent,SING,C2,C21,,,,,31974,bmse010326,1
3,covalent,SING,C3,C22,,,,,31974,bmse010326,1
4,covalent,SING,C4,O39,,,,,31974,bmse010326,1
5,covalent,SING,C5,O40,,,,,31974,bmse010326,1
6,covalent,SING,C6,O41,,,,,31974,bmse010326,1
7,covalent,SING,C7,O42,,,,,31974,bmse010326,1
8,covalent,DOUB,C8,C9,,,,,31974,bmse010326,1
9,covalent,SING,C8,C10,,,,,31974,bmse010326,1
10,covalent,SING,C9,C26,,,,,31974,bmse010326,1
11,covalent,DOUB,C10,C27,,,,,31974,bmse010326,1
12,covalent,SING,C11,C14,,,,,31974,bmse010326,1
13,covalent,DOUB,C11,C23,,,,,31974,bmse010326,1
14,covalent,DOUB,C12,C15,,,,,31974,bmse010326,1
15,covalent,SING,C12,C23,,,,,31974,bmse010326,1
16,covalent,DOUB,C13,C16,,,,,31974,bmse010326,1
17,covalent,SING,C13,C23,,,,,31974,bmse010326,1
18,covalent,DOUB,C14,C25,,,,,31974,bmse010326,1
19,covalent,SING,C15,C25,,,,,31974,bmse010326,1
20,covalent,SING,C16,C31,,,,,31974,bmse010326,1
21,covalent,DOUB,C17,C24,,,,,31974,bmse010326,1
22,covalent,SING,C17,C28,,,,,31974,bmse010326,1
23,covalent,SING,C18,C24,,,,,31974,bmse010326,1
24,covalent,DOUB,C18,C29,,,,,31974,bmse010326,1
25,covalent,SING,C19,C30,,,,,31974,bmse010326,1
26,covalent,SING,C19,O43,,,,,31974,bmse010326,1
27,covalent,DOUB,C20,O35,,,,,31974,bmse010326,1
28,covalent,SING,C20,O44,,,,,31974,bmse010326,1
29,covalent,DOUB,C21,O36,,,,,31974,bmse010326,1
30,covalent,SING,C21,O45,,,,,31974,bmse010326,1
31,covalent,DOUB,C22,O37,,,,,31974,bmse010326,1
32,covalent,SING,C22,O46,,,,,31974,bmse010326,1
33,covalent,SING,C24,C32,,,,,31974,bmse010326,1
34,covalent,SING,C25,O44,,,,,31974,bmse010326,1
35,covalent,DOUB,C26,C33,,,,,31974,bmse010326,1
36,covalent,SING,C26,O39,,,,,31974,bmse010326,1
37,covalent,SING,C27,C33,,,,,31974,bmse010326,1
38,covalent,SING,C27,O40,,,,,31974,bmse010326,1
39,covalent,DOUB,C28,C34,,,,,31974,bmse010326,1
40,covalent,SING,C28,O41,,,,,31974,bmse010326,1
41,covalent,SING,C29,C34,,,,,31974,bmse010326,1
42,covalent,SING,C29,O42,,,,,31974,bmse010326,1
43,covalent,SING,C30,C32,,,,,31974,bmse010326,1
44,covalent,SING,C30,O47,,,,,31974,bmse010326,1
45,covalent,DOUB,C31,O38,,,,,31974,bmse010326,1
46,covalent,SING,C31,O43,,,,,31974,bmse010326,1
47,covalent,SING,C32,O45,,,,,31974,bmse010326,1
48,covalent,SING,C33,O47,,,,,31974,bmse010326,1
49,covalent,SING,C34,O46,,,,,31974,bmse010326,1
50,covalent,SING,C1,H49,,,,,31974,bmse010326,1
51,covalent,SING,C1,H50,,,,,31974,bmse010326,1
52,covalent,SING,C1,H48,,,,,31974,bmse010326,1
53,covalent,SING,C2,H51,,,,,31974,bmse010326,1
54,covalent,SING,C2,H52,,,,,31974,bmse010326,1
55,covalent,SING,C2,H53,,,,,31974,bmse010326,1
56,covalent,SING,C3,H55,,,,,31974,bmse010326,1
57,covalent,SING,C3,H56,,,,,31974,bmse010326,1
58,covalent,SING,C3,H54,,,,,31974,bmse010326,1
59,covalent,SING,C4,H57,,,,,31974,bmse010326,1
60,covalent,SING,C4,H59,,,,,31974,bmse010326,1
61,covalent,SING,C4,H58,,,,,31974,bmse010326,1
62,covalent,SING,C5,H61,,,,,31974,bmse010326,1
63,covalent,SING,C5,H60,,,,,31974,bmse010326,1
64,covalent,SING,C5,H62,,,,,31974,bmse010326,1
65,covalent,SING,C6,H64,,,,,31974,bmse010326,1
66,covalent,SING,C6,H65,,,,,31974,bmse010326,1
67,covalent,SING,C6,H63,,,,,31974,bmse010326,1
68,covalent,SING,C7,H66,,,,,31974,bmse010326,1
69,covalent,SING,C7,H68,,,,,31974,bmse010326,1
70,covalent,SING,C7,H67,,,,,31974,bmse010326,1
71,covalent,SING,C8,H69,,,,,31974,bmse010326,1
72,covalent,SING,C9,H70,,,,,31974,bmse010326,1
73,covalent,SING,C10,H71,,,,,31974,bmse010326,1
74,covalent,SING,C11,H72,,,,,31974,bmse010326,1
75,covalent,SING,C12,H73,,,,,31974,bmse010326,1
76,covalent,SING,C13,H74,,,,,31974,bmse010326,1
77,covalent,SING,C14,H75,,,,,31974,bmse010326,1
78,covalent,SING,C15,H76,,,,,31974,bmse010326,1
79,covalent,SING,C16,H77,,,,,31974,bmse010326,1
80,covalent,SING,C17,H78,,,,,31974,bmse010326,1
81,covalent,SING,C18,H79,,,,,31974,bmse010326,1
82,covalent,SING,C19,H80,,,,,31974,bmse010326,1
83,covalent,SING,C19,H81,,,,,31974,bmse010326,1
84,covalent,SING,C30,H82,,,,,31974,bmse010326,1
85,covalent,SING,C32,H83,,,,,31974,bmse010326,1
1,covalent,SING,C1,C19,,,,,31994,bmse010327,1
2,covalent,SING,C2,C20,,,,,31994,bmse010327,1
3,covalent,SING,C3,O37,,,,,31994,bmse010327,1
4,covalent,SING,C4,O38,,,,,31994,bmse010327,1
5,covalent,SING,C5,O39,,,,,31994,bmse010327,1
6,covalent,SING,C6,O40,,,,,31994,bmse010327,1
7,covalent,DOUB,C7,C8,,,,,31994,bmse010327,1
8,covalent,SING,C7,C9,,,,,31994,bmse010327,1
9,covalent,SING,C8,C24,,,,,31994,bmse010327,1
10,covalent,DOUB,C9,C25,,,,,31994,bmse010327,1
11,covalent,SING,C10,C13,,,,,31994,bmse010327,1
12,covalent,DOUB,C10,C21,,,,,31994,bmse010327,1
13,covalent,DOUB,C11,C14,,,,,31994,bmse010327,1
14,covalent,SING,C11,C21,,,,,31994,bmse010327,1
15,covalent,DOUB,C12,C15,,,,,31994,bmse010327,1
16,covalent,SING,C12,C21,,,,,31994,bmse010327,1
17,covalent,DOUB,C13,C23,,,,,31994,bmse010327,1
18,covalent,SING,C14,C23,,,,,31994,bmse010327,1
19,covalent,SING,C15,C29,,,,,31994,bmse010327,1
20,covalent,DOUB,C16,C22,,,,,31994,bmse010327,1
21,covalent,SING,C16,C26,,,,,31994,bmse010327,1
22,covalent,SING,C17,C22,,,,,31994,bmse010327,1
23,covalent,DOUB,C17,C27,,,,,31994,bmse010327,1
24,covalent,SING,C18,C28,,,,,31994,bmse010327,1
25,covalent,SING,C18,O41,,,,,31994,bmse010327,1
26,covalent,DOUB,C19,O33,,,,,31994,bmse010327,1
27,covalent,SING,C19,O42,,,,,31994,bmse010327,1
28,covalent,DOUB,C20,O34,,,,,31994,bmse010327,1
29,covalent,SING,C20,O43,,,,,31994,bmse010327,1
30,covalent,SING,C22,C30,,,,,31994,bmse010327,1
31,covalent,SING,C23,O42,,,,,31994,bmse010327,1
32,covalent,DOUB,C24,C31,,,,,31994,bmse010327,1
33,covalent,SING,C24,O37,,,,,31994,bmse010327,1
34,covalent,SING,C25,C31,,,,,31994,bmse010327,1
35,covalent,SING,C25,O38,,,,,31994,bmse010327,1
36,covalent,DOUB,C26,C32,,,,,31994,bmse010327,1
37,covalent,SING,C26,O39,,,,,31994,bmse010327,1
38,covalent,SING,C27,C32,,,,,31994,bmse010327,1
39,covalent,SING,C27,O40,,,,,31994,bmse010327,1
40,covalent,SING,C28,C30,,,,,31994,bmse010327,1
41,covalent,SING,C28,O44,,,,,31994,bmse010327,1
42,covalent,DOUB,C29,O35,,,,,31994,bmse010327,1
43,covalent,SING,C29,O41,,,,,31994,bmse010327,1
44,covalent,SING,C30,O36,,,,,31994,bmse010327,1
45,covalent,SING,C31,O44,,,,,31994,bmse010327,1
46,covalent,SING,C32,O43,,,,,31994,bmse010327,1
47,covalent,SING,C1,H46,,,,,31994,bmse010327,1
48,covalent,SING,C1,H47,,,,,31994,bmse010327,1
49,covalent,SING,C1,H45,,,,,31994,bmse010327,1
50,covalent,SING,C2,H49,,,,,31994,bmse010327,1
51,covalent,SING,C2,H50,,,,,31994,bmse010327,1
52,covalent,SING,C2,H48,,,,,31994,bmse010327,1
53,covalent,SING,C3,H51,,,,,31994,bmse010327,1
54,covalent,SING,C3,H53,,,,,31994,bmse010327,1
55,covalent,SING,C3,H52,,,,,31994,bmse010327,1
56,covalent,SING,C4,H55,,,,,31994,bmse010327,1
57,covalent,SING,C4,H54,,,,,31994,bmse010327,1
58,covalent,SING,C4,H56,,,,,31994,bmse010327,1
59,covalent,SING,C5,H58,,,,,31994,bmse010327,1
60,covalent,SING,C5,H59,,,,,31994,bmse010327,1
61,covalent,SING,C5,H57,,,,,31994,bmse010327,1
62,covalent,SING,C6,H60,,,,,31994,bmse010327,1
63,covalent,SING,C6,H61,,,,,31994,bmse010327,1
64,covalent,SING,C6,H62,,,,,31994,bmse010327,1
65,covalent,SING,C7,H63,,,,,31994,bmse010327,1
66,covalent,SING,C8,H64,,,,,31994,bmse010327,1
67,covalent,SING,C9,H65,,,,,31994,bmse010327,1
68,covalent,SING,C10,H66,,,,,31994,bmse010327,1
69,covalent,SING,C11,H67,,,,,31994,bmse010327,1
70,covalent,SING,C12,H68,,,,,31994,bmse010327,1
71,covalent,SING,C13,H69,,,,,31994,bmse010327,1
72,covalent,SING,C14,H70,,,,,31994,bmse010327,1
73,covalent,SING,C15,H71,,,,,31994,bmse010327,1
74,covalent,SING,C16,H72,,,,,31994,bmse010327,1
75,covalent,SING,C17,H73,,,,,31994,bmse010327,1
76,covalent,SING,C18,H74,,,,,31994,bmse010327,1
77,covalent,SING,C18,H75,,,,,31994,bmse010327,1
78,covalent,SING,C28,H76,,,,,31994,bmse010327,1
79,covalent,SING,C30,H77,,,,,31994,bmse010327,1
80,covalent,SING,O36,H78,,,,,31994,bmse010327,1
1,covalent,SING,C1,C19,,,,,32008,bmse010328,1
2,covalent,SING,C2,C20,,,,,32008,bmse010328,1
3,covalent,SING,C3,O37,,,,,32008,bmse010328,1
4,covalent,SING,C4,O38,,,,,32008,bmse010328,1
5,covalent,SING,C5,O39,,,,,32008,bmse010328,1
6,covalent,SING,C6,O40,,,,,32008,bmse010328,1
7,covalent,DOUB,C7,C8,,,,,32008,bmse010328,1
8,covalent,SING,C7,C9,,,,,32008,bmse010328,1
9,covalent,SING,C8,C24,,,,,32008,bmse010328,1
10,covalent,DOUB,C9,C25,,,,,32008,bmse010328,1
11,covalent,SING,C10,C13,,,,,32008,bmse010328,1
12,covalent,DOUB,C10,C21,,,,,32008,bmse010328,1
13,covalent,DOUB,C11,C14,,,,,32008,bmse010328,1
14,covalent,SING,C11,C21,,,,,32008,bmse010328,1
15,covalent,DOUB,C12,C15,,,,,32008,bmse010328,1
16,covalent,SING,C12,C21,,,,,32008,bmse010328,1
17,covalent,DOUB,C13,C23,,,,,32008,bmse010328,1
18,covalent,SING,C14,C23,,,,,32008,bmse010328,1
19,covalent,SING,C15,C29,,,,,32008,bmse010328,1
20,covalent,DOUB,C16,C22,,,,,32008,bmse010328,1
21,covalent,SING,C16,C26,,,,,32008,bmse010328,1
22,covalent,SING,C17,C22,,,,,32008,bmse010328,1
23,covalent,DOUB,C17,C27,,,,,32008,bmse010328,1
24,covalent,SING,C18,C28,,,,,32008,bmse010328,1
25,covalent,SING,C18,O41,,,,,32008,bmse010328,1
26,covalent,DOUB,C19,O33,,,,,32008,bmse010328,1
27,covalent,SING,C19,O42,,,,,32008,bmse010328,1
28,covalent,DOUB,C20,O34,,,,,32008,bmse010328,1
29,covalent,SING,C20,O43,,,,,32008,bmse010328,1
30,covalent,SING,C22,C30,,,,,32008,bmse010328,1
31,covalent,SING,C23,O42,,,,,32008,bmse010328,1
32,covalent,DOUB,C24,C31,,,,,32008,bmse010328,1
33,covalent,SING,C24,O37,,,,,32008,bmse010328,1
34,covalent,SING,C25,C31,,,,,32008,bmse010328,1
35,covalent,SING,C25,O38,,,,,32008,bmse010328,1
36,covalent,DOUB,C26,C32,,,,,32008,bmse010328,1
37,covalent,SING,C26,O39,,,,,32008,bmse010328,1
38,covalent,SING,C27,C32,,,,,32008,bmse010328,1
39,covalent,SING,C27,O40,,,,,32008,bmse010328,1
40,covalent,SING,C28,C30,,,,,32008,bmse010328,1
41,covalent,SING,C28,O44,,,,,32008,bmse010328,1
42,covalent,DOUB,C29,O35,,,,,32008,bmse010328,1
43,covalent,SING,C29,O41,,,,,32008,bmse010328,1
44,covalent,SING,C30,O36,,,,,32008,bmse010328,1
45,covalent,SING,C31,O44,,,,,32008,bmse010328,1
46,covalent,SING,C32,O43,,,,,32008,bmse010328,1
47,covalent,SING,C1,H46,,,,,32008,bmse010328,1
48,covalent,SING,C1,H47,,,,,32008,bmse010328,1
49,covalent,SING,C1,H45,,,,,32008,bmse010328,1
50,covalent,SING,C2,H49,,,,,32008,bmse010328,1
51,covalent,SING,C2,H50,,,,,32008,bmse010328,1
52,covalent,SING,C2,H48,,,,,32008,bmse010328,1
53,covalent,SING,C3,H51,,,,,32008,bmse010328,1
54,covalent,SING,C3,H53,,,,,32008,bmse010328,1
55,covalent,SING,C3,H52,,,,,32008,bmse010328,1
56,covalent,SING,C4,H55,,,,,32008,bmse010328,1
57,covalent,SING,C4,H54,,,,,32008,bmse010328,1
58,covalent,SING,C4,H56,,,,,32008,bmse010328,1
59,covalent,SING,C5,H58,,,,,32008,bmse010328,1
60,covalent,SING,C5,H59,,,,,32008,bmse010328,1
61,covalent,SING,C5,H57,,,,,32008,bmse010328,1
62,covalent,SING,C6,H60,,,,,32008,bmse010328,1
63,covalent,SING,C6,H61,,,,,32008,bmse010328,1
64,covalent,SING,C6,H62,,,,,32008,bmse010328,1
65,covalent,SING,C7,H63,,,,,32008,bmse010328,1
66,covalent,SING,C8,H64,,,,,32008,bmse010328,1
67,covalent,SING,C9,H65,,,,,32008,bmse010328,1
68,covalent,SING,C10,H66,,,,,32008,bmse010328,1
69,covalent,SING,C11,H67,,,,,32008,bmse010328,1
70,covalent,SING,C12,H68,,,,,32008,bmse010328,1
71,covalent,SING,C13,H69,,,,,32008,bmse010328,1
72,covalent,SING,C14,H70,,,,,32008,bmse010328,1
73,covalent,SING,C15,H71,,,,,32008,bmse010328,1
74,covalent,SING,C16,H72,,,,,32008,bmse010328,1
75,covalent,SING,C17,H73,,,,,32008,bmse010328,1
76,covalent,SING,C18,H74,,,,,32008,bmse010328,1
77,covalent,SING,C18,H75,,,,,32008,bmse010328,1
78,covalent,SING,C28,H76,,,,,32008,bmse010328,1
79,covalent,SING,C30,H77,,,,,32008,bmse010328,1
80,covalent,SING,O36,H78,,,,,32008,bmse010328,1
1,covalent,SING,C1,C19,,,,,32022,bmse010329,1
2,covalent,SING,C2,C20,,,,,32022,bmse010329,1
3,covalent,SING,C3,O37,,,,,32022,bmse010329,1
4,covalent,SING,C4,O38,,,,,32022,bmse010329,1
5,covalent,SING,C5,O39,,,,,32022,bmse010329,1
6,covalent,SING,C6,O40,,,,,32022,bmse010329,1
7,covalent,DOUB,C7,C8,,,,,32022,bmse010329,1
8,covalent,SING,C7,C9,,,,,32022,bmse010329,1
9,covalent,SING,C8,C24,,,,,32022,bmse010329,1
10,covalent,DOUB,C9,C25,,,,,32022,bmse010329,1
11,covalent,SING,C10,C13,,,,,32022,bmse010329,1
12,covalent,DOUB,C10,C21,,,,,32022,bmse010329,1
13,covalent,DOUB,C11,C14,,,,,32022,bmse010329,1
14,covalent,SING,C11,C21,,,,,32022,bmse010329,1
15,covalent,DOUB,C12,C15,,,,,32022,bmse010329,1
16,covalent,SING,C12,C21,,,,,32022,bmse010329,1
17,covalent,DOUB,C13,C23,,,,,32022,bmse010329,1
18,covalent,SING,C14,C23,,,,,32022,bmse010329,1
19,covalent,SING,C15,C29,,,,,32022,bmse010329,1
20,covalent,DOUB,C16,C22,,,,,32022,bmse010329,1
21,covalent,SING,C16,C26,,,,,32022,bmse010329,1
22,covalent,SING,C17,C22,,,,,32022,bmse010329,1
23,covalent,DOUB,C17,C27,,,,,32022,bmse010329,1
24,covalent,SING,C18,C28,,,,,32022,bmse010329,1
25,covalent,SING,C18,O41,,,,,32022,bmse010329,1
26,covalent,DOUB,C19,O33,,,,,32022,bmse010329,1
27,covalent,SING,C19,O42,,,,,32022,bmse010329,1
28,covalent,DOUB,C20,O34,,,,,32022,bmse010329,1
29,covalent,SING,C20,O43,,,,,32022,bmse010329,1
30,covalent,SING,C22,C30,,,,,32022,bmse010329,1
31,covalent,SING,C23,O42,,,,,32022,bmse010329,1
32,covalent,DOUB,C24,C31,,,,,32022,bmse010329,1
33,covalent,SING,C24,O37,,,,,32022,bmse010329,1
34,covalent,SING,C25,C31,,,,,32022,bmse010329,1
35,covalent,SING,C25,O38,,,,,32022,bmse010329,1
36,covalent,DOUB,C26,C32,,,,,32022,bmse010329,1
37,covalent,SING,C26,O39,,,,,32022,bmse010329,1
38,covalent,SING,C27,C32,,,,,32022,bmse010329,1
39,covalent,SING,C27,O40,,,,,32022,bmse010329,1
40,covalent,SING,C28,C30,,,,,32022,bmse010329,1
41,covalent,SING,C28,O44,,,,,32022,bmse010329,1
42,covalent,DOUB,C29,O35,,,,,32022,bmse010329,1
43,covalent,SING,C29,O41,,,,,32022,bmse010329,1
44,covalent,DOUB,C30,O36,,,,,32022,bmse010329,1
45,covalent,SING,C31,O44,,,,,32022,bmse010329,1
46,covalent,SING,C32,O43,,,,,32022,bmse010329,1
47,covalent,SING,C1,H46,,,,,32022,bmse010329,1
48,covalent,SING,C1,H47,,,,,32022,bmse010329,1
49,covalent,SING,C1,H45,,,,,32022,bmse010329,1
50,covalent,SING,C2,H49,,,,,32022,bmse010329,1
51,covalent,SING,C2,H50,,,,,32022,bmse010329,1
52,covalent,SING,C2,H48,,,,,32022,bmse010329,1
53,covalent,SING,C3,H51,,,,,32022,bmse010329,1
54,covalent,SING,C3,H53,,,,,32022,bmse010329,1
55,covalent,SING,C3,H52,,,,,32022,bmse010329,1
56,covalent,SING,C4,H55,,,,,32022,bmse010329,1
57,covalent,SING,C4,H54,,,,,32022,bmse010329,1
58,covalent,SING,C4,H56,,,,,32022,bmse010329,1
59,covalent,SING,C5,H59,,,,,32022,bmse010329,1
60,covalent,SING,C5,H58,,,,,32022,bmse010329,1
61,covalent,SING,C5,H57,,,,,32022,bmse010329,1
62,covalent,SING,C6,H60,,,,,32022,bmse010329,1
63,covalent,SING,C6,H61,,,,,32022,bmse010329,1
64,covalent,SING,C6,H62,,,,,32022,bmse010329,1
65,covalent,SING,C7,H63,,,,,32022,bmse010329,1
66,covalent,SING,C8,H64,,,,,32022,bmse010329,1
67,covalent,SING,C9,H65,,,,,32022,bmse010329,1
68,covalent,SING,C10,H66,,,,,32022,bmse010329,1
69,covalent,SING,C11,H67,,,,,32022,bmse010329,1
70,covalent,SING,C12,H68,,,,,32022,bmse010329,1
71,covalent,SING,C13,H69,,,,,32022,bmse010329,1
72,covalent,SING,C14,H70,,,,,32022,bmse010329,1
73,covalent,SING,C15,H71,,,,,32022,bmse010329,1
74,covalent,SING,C16,H72,,,,,32022,bmse010329,1
75,covalent,SING,C17,H73,,,,,32022,bmse010329,1
76,covalent,SING,C18,H74,,,,,32022,bmse010329,1
77,covalent,SING,C18,H75,,,,,32022,bmse010329,1
78,covalent,SING,C28,H76,,,,,32022,bmse010329,1
1,covalent,SING,C1,C5,,,,,32042,bmse010330,1
2,covalent,SING,C2,C6,,,,,32042,bmse010330,1
3,covalent,SING,C3,O28,,,,,32042,bmse010330,1
4,covalent,SING,C4,O29,,,,,32042,bmse010330,1
5,covalent,SING,C5,O30,,,,,32042,bmse010330,1
6,covalent,SING,C6,O31,,,,,32042,bmse010330,1
7,covalent,DOUB,C7,C10,,,,,32042,bmse010330,1
8,covalent,SING,C7,C16,,,,,32042,bmse010330,1
9,covalent,DOUB,C8,C11,,,,,32042,bmse010330,1
10,covalent,SING,C8,C16,,,,,32042,bmse010330,1
11,covalent,DOUB,C9,C12,,,,,32042,bmse010330,1
12,covalent,SING,C9,C17,,,,,32042,bmse010330,1
13,covalent,SING,C10,C18,,,,,32042,bmse010330,1
14,covalent,SING,C11,C22,,,,,32042,bmse010330,1
15,covalent,SING,C12,C23,,,,,32042,bmse010330,1
16,covalent,DOUB,C13,C16,,,,,32042,bmse010330,1
17,covalent,SING,C13,C19,,,,,32042,bmse010330,1
18,covalent,DOUB,C14,C17,,,,,32042,bmse010330,1
19,covalent,SING,C14,C20,,,,,32042,bmse010330,1
20,covalent,SING,C15,C17,,,,,32042,bmse010330,1
21,covalent,DOUB,C15,C21,,,,,32042,bmse010330,1
22,covalent,DOUB,C18,C19,,,,,32042,bmse010330,1
23,covalent,SING,C18,O32,,,,,32042,bmse010330,1
24,covalent,SING,C19,O28,,,,,32042,bmse010330,1
25,covalent,DOUB,C20,C24,,,,,32042,bmse010330,1
26,covalent,SING,C20,O29,,,,,32042,bmse010330,1
27,covalent,SING,C21,C24,,,,,32042,bmse010330,1
28,covalent,SING,C21,O32,,,,,32042,bmse010330,1
29,covalent,DOUB,C22,O25,,,,,32042,bmse010330,1
30,covalent,SING,C22,O30,,,,,32042,bmse010330,1
31,covalent,DOUB,C23,O26,,,,,32042,bmse010330,1
32,covalent,SING,C23,O31,,,,,32042,bmse010330,1
33,covalent,SING,C24,O27,,,,,32042,bmse010330,1
34,covalent,SING,C1,H35,,,,,32042,bmse010330,1
35,covalent,SING,C1,H33,,,,,32042,bmse010330,1
36,covalent,SING,C1,H34,,,,,32042,bmse010330,1
37,covalent,SING,C2,H38,,,,,32042,bmse010330,1
38,covalent,SING,C2,H37,,,,,32042,bmse010330,1
39,covalent,SING,C2,H36,,,,,32042,bmse010330,1
40,covalent,SING,C3,H40,,,,,32042,bmse010330,1
41,covalent,SING,C3,H39,,,,,32042,bmse010330,1
42,covalent,SING,C3,H41,,,,,32042,bmse010330,1
43,covalent,SING,C4,H44,,,,,32042,bmse010330,1
44,covalent,SING,C4,H42,,,,,32042,bmse010330,1
45,covalent,SING,C4,H43,,,,,32042,bmse010330,1
46,covalent,SING,C5,H45,,,,,32042,bmse010330,1
47,covalent,SING,C5,H46,,,,,32042,bmse010330,1
48,covalent,SING,C6,H47,,,,,32042,bmse010330,1
49,covalent,SING,C6,H48,,,,,32042,bmse010330,1
50,covalent,SING,C7,H49,,,,,32042,bmse010330,1
51,covalent,SING,C8,H50,,,,,32042,bmse010330,1
52,covalent,SING,C9,H51,,,,,32042,bmse010330,1
53,covalent,SING,C10,H52,,,,,32042,bmse010330,1
54,covalent,SING,C11,H53,,,,,32042,bmse010330,1
55,covalent,SING,C12,H54,,,,,32042,bmse010330,1
56,covalent,SING,C13,H55,,,,,32042,bmse010330,1
57,covalent,SING,C14,H56,,,,,32042,bmse010330,1
58,covalent,SING,C15,H57,,,,,32042,bmse010330,1
59,covalent,SING,O27,H58,,,,,32042,bmse010330,1
1,covalent,SING,C3,O29,,,,,32056,bmse010331,1
2,covalent,SING,C4,O30,,,,,32056,bmse010331,1
3,covalent,SING,C1,O27,,,,,32056,bmse010331,1
4,covalent,SING,C2,O28,,,,,32056,bmse010331,1
5,covalent,DOUB,C7,C10,,,,,32056,bmse010331,1
6,covalent,SING,C7,C13,,,,,32056,bmse010331,1
7,covalent,SING,C8,C10,,,,,32056,bmse010331,1
8,covalent,DOUB,C8,C14,,,,,32056,bmse010331,1
9,covalent,DOUB,C5,C9,,,,,32056,bmse010331,1
10,covalent,SING,C5,C11,,,,,32056,bmse010331,1
11,covalent,SING,C6,C9,,,,,32056,bmse010331,1
12,covalent,DOUB,C6,C12,,,,,32056,bmse010331,1
13,covalent,SING,C10,C20,,,,,32056,bmse010331,1
14,covalent,SING,C9,C19,,,,,32056,bmse010331,1
15,covalent,DOUB,C13,C18,,,,,32056,bmse010331,1
16,covalent,SING,C13,O29,,,,,32056,bmse010331,1
17,covalent,SING,C14,C18,,,,,32056,bmse010331,1
18,covalent,SING,C14,O30,,,,,32056,bmse010331,1
19,covalent,DOUB,C11,C17,,,,,32056,bmse010331,1
20,covalent,SING,C11,O27,,,,,32056,bmse010331,1
21,covalent,SING,C12,C17,,,,,32056,bmse010331,1
22,covalent,SING,C12,O28,,,,,32056,bmse010331,1
23,covalent,SING,C16,C15,,,,,32056,bmse010331,1
24,covalent,SING,C16,C20,,,,,32056,bmse010331,1
25,covalent,SING,C16,C22,,,,,32056,bmse010331,1
26,covalent,SING,C15,C19,,,,,32056,bmse010331,1
27,covalent,SING,C15,C21,,,,,32056,bmse010331,1
28,covalent,SING,C18,O24,,,,,32056,bmse010331,1
29,covalent,SING,C17,O23,,,,,32056,bmse010331,1
30,covalent,SING,C20,O32,,,,,32056,bmse010331,1
31,covalent,SING,C19,O31,,,,,32056,bmse010331,1
32,covalent,DOUB,C22,O26,,,,,32056,bmse010331,1
33,covalent,SING,C22,O31,,,,,32056,bmse010331,1
34,covalent,DOUB,C21,O25,,,,,32056,bmse010331,1
35,covalent,SING,C21,O32,,,,,32056,bmse010331,1
36,covalent,SING,C3,H40,,,,,32056,bmse010331,1
37,covalent,SING,C3,H39,,,,,32056,bmse010331,1
38,covalent,SING,C3,H41,,,,,32056,bmse010331,1
39,covalent,SING,C4,H44,,,,,32056,bmse010331,1
40,covalent,SING,C4,H42,,,,,32056,bmse010331,1
41,covalent,SING,C4,H43,,,,,32056,bmse010331,1
42,covalent,SING,C1,H33,,,,,32056,bmse010331,1
43,covalent,SING,C1,H35,,,,,32056,bmse010331,1
44,covalent,SING,C1,H34,,,,,32056,bmse010331,1
45,covalent,SING,C2,H37,,,,,32056,bmse010331,1
46,covalent,SING,C2,H38,,,,,32056,bmse010331,1
47,covalent,SING,C2,H36,,,,,32056,bmse010331,1
48,covalent,SING,C7,H47,,,,,32056,bmse010331,1
49,covalent,SING,C8,H48,,,,,32056,bmse010331,1
50,covalent,SING,C5,H45,,,,,32056,bmse010331,1
51,covalent,SING,C6,H46,,,,,32056,bmse010331,1
52,covalent,SING,C16,H50,,,,,32056,bmse010331,1
53,covalent,SING,C15,H49,,,,,32056,bmse010331,1
54,covalent,SING,C20,H52,,,,,32056,bmse010331,1
55,covalent,SING,C19,H51,,,,,32056,bmse010331,1
56,covalent,SING,O24,H54,,,,,32056,bmse010331,1
57,covalent,SING,O23,H53,,,,,32056,bmse010331,1
1,covalent,SING,C1,O26,,,,,32070,bmse010332,1
2,covalent,SING,C2,O27,,,,,32070,bmse010332,1
3,covalent,DOUB,C3,C6,,,,,32070,bmse010332,1
4,covalent,SING,C3,C12,,,,,32070,bmse010332,1
5,covalent,DOUB,C4,C7,,,,,32070,bmse010332,1
6,covalent,SING,C4,C12,,,,,32070,bmse010332,1
7,covalent,DOUB,C5,C8,,,,,32070,bmse010332,1
8,covalent,SING,C5,C13,,,,,32070,bmse010332,1
9,covalent,SING,C6,C14,,,,,32070,bmse010332,1
10,covalent,SING,C7,C18,,,,,32070,bmse010332,1
11,covalent,SING,C8,C19,,,,,32070,bmse010332,1
12,covalent,DOUB,C9,C12,,,,,32070,bmse010332,1
13,covalent,SING,C9,C15,,,,,32070,bmse010332,1
14,covalent,DOUB,C10,C13,,,,,32070,bmse010332,1
15,covalent,SING,C10,C16,,,,,32070,bmse010332,1
16,covalent,SING,C11,C13,,,,,32070,bmse010332,1
17,covalent,DOUB,C11,C17,,,,,32070,bmse010332,1
18,covalent,DOUB,C14,C15,,,,,32070,bmse010332,1
19,covalent,SING,C14,O28,,,,,32070,bmse010332,1
20,covalent,SING,C15,O26,,,,,32070,bmse010332,1
21,covalent,DOUB,C16,C20,,,,,32070,bmse010332,1
22,covalent,SING,C16,O27,,,,,32070,bmse010332,1
23,covalent,SING,C17,C20,,,,,32070,bmse010332,1
24,covalent,SING,C17,O28,,,,,32070,bmse010332,1
25,covalent,SING,C18,O21,,,,,32070,bmse010332,1
26,covalent,DOUB,C18,O22,,,,,32070,bmse010332,1
27,covalent,SING,C19,O23,,,,,32070,bmse010332,1
28,covalent,DOUB,C19,O24,,,,,32070,bmse010332,1
29,covalent,SING,C20,O25,,,,,32070,bmse010332,1
30,covalent,SING,C1,H30,,,,,32070,bmse010332,1
31,covalent,SING,C1,H29,,,,,32070,bmse010332,1
32,covalent,SING,C1,H31,,,,,32070,bmse010332,1
33,covalent,SING,C2,H34,,,,,32070,bmse010332,1
34,covalent,SING,C2,H32,,,,,32070,bmse010332,1
35,covalent,SING,C2,H33,,,,,32070,bmse010332,1
36,covalent,SING,C3,H35,,,,,32070,bmse010332,1
37,covalent,SING,C4,H36,,,,,32070,bmse010332,1
38,covalent,SING,C5,H37,,,,,32070,bmse010332,1
39,covalent,SING,C6,H38,,,,,32070,bmse010332,1
40,covalent,SING,C7,H39,,,,,32070,bmse010332,1
41,covalent,SING,C8,H40,,,,,32070,bmse010332,1
42,covalent,SING,C9,H41,,,,,32070,bmse010332,1
43,covalent,SING,C10,H42,,,,,32070,bmse010332,1
44,covalent,SING,C11,H43,,,,,32070,bmse010332,1
45,covalent,SING,O21,H44,,,,,32070,bmse010332,1
46,covalent,SING,O23,H45,,,,,32070,bmse010332,1
47,covalent,SING,O25,H46,,,,,32070,bmse010332,1
1,covalent,SING,C1,O22,,,,,32087,bmse010333,1
2,covalent,SING,C2,O23,,,,,32087,bmse010333,1
3,covalent,DOUB,C3,C5,,,,,32087,bmse010333,1
4,covalent,SING,C3,C10,,,,,32087,bmse010333,1
5,covalent,DOUB,C4,C6,,,,,32087,bmse010333,1
6,covalent,SING,C4,C11,,,,,32087,bmse010333,1
7,covalent,SING,C5,C13,,,,,32087,bmse010333,1
8,covalent,SING,C6,C14,,,,,32087,bmse010333,1
9,covalent,DOUB,C7,C10,,,,,32087,bmse010333,1
10,covalent,SING,C7,C15,,,,,32087,bmse010333,1
11,covalent,DOUB,C8,C11,,,,,32087,bmse010333,1
12,covalent,SING,C8,C16,,,,,32087,bmse010333,1
13,covalent,SING,C9,C12,,,,,32087,bmse010333,1
14,covalent,SING,C9,O18,,,,,32087,bmse010333,1
15,covalent,SING,C10,C12,,,,,32087,bmse010333,1
16,covalent,SING,C11,C17,,,,,32087,bmse010333,1
17,covalent,SING,C12,C17,,,,,32087,bmse010333,1
18,covalent,DOUB,C13,C15,,,,,32087,bmse010333,1
19,covalent,SING,C13,O19,,,,,32087,bmse010333,1
20,covalent,DOUB,C14,C16,,,,,32087,bmse010333,1
21,covalent,SING,C14,O20,,,,,32087,bmse010333,1
22,covalent,SING,C15,O22,,,,,32087,bmse010333,1
23,covalent,SING,C16,O23,,,,,32087,bmse010333,1
24,covalent,SING,C17,O21,,,,,32087,bmse010333,1
25,covalent,SING,C1,H25,,,,,32087,bmse010333,1
26,covalent,SING,C1,H26,,,,,32087,bmse010333,1
27,covalent,SING,C1,H24,,,,,32087,bmse010333,1
28,covalent,SING,C2,H29,,,,,32087,bmse010333,1
29,covalent,SING,C2,H27,,,,,32087,bmse010333,1
30,covalent,SING,C2,H28,,,,,32087,bmse010333,1
31,covalent,SING,C3,H30,,,,,32087,bmse010333,1
32,covalent,SING,C4,H31,,,,,32087,bmse010333,1
33,covalent,SING,C5,H32,,,,,32087,bmse010333,1
34,covalent,SING,C6,H33,,,,,32087,bmse010333,1
35,covalent,SING,C7,H34,,,,,32087,bmse010333,1
36,covalent,SING,C8,H35,,,,,32087,bmse010333,1
37,covalent,SING,C9,H36,,,,,32087,bmse010333,1
38,covalent,SING,C9,H37,,,,,32087,bmse010333,1
39,covalent,SING,C12,H38,,,,,32087,bmse010333,1
40,covalent,SING,C17,H39,,,,,32087,bmse010333,1
41,covalent,SING,O18,H40,,,,,32087,bmse010333,1
42,covalent,SING,O19,H41,,,,,32087,bmse010333,1
43,covalent,SING,O20,H42,,,,,32087,bmse010333,1
44,covalent,SING,O21,H43,,,,,32087,bmse010333,1
1,covalent,SING,C1,C14,,,,,32101,bmse010334,1
2,covalent,SING,C2,C15,,,,,32101,bmse010334,1
3,covalent,SING,C3,C16,,,,,32101,bmse010334,1
4,covalent,SING,C4,C17,,,,,32101,bmse010334,1
5,covalent,SING,C5,O30,,,,,32101,bmse010334,1
6,covalent,SING,C6,O31,,,,,32101,bmse010334,1
7,covalent,DOUB,C7,C9,,,,,32101,bmse010334,1
8,covalent,SING,C7,C18,,,,,32101,bmse010334,1
9,covalent,DOUB,C8,C10,,,,,32101,bmse010334,1
10,covalent,SING,C8,C19,,,,,32101,bmse010334,1
11,covalent,SING,C9,C21,,,,,32101,bmse010334,1
12,covalent,SING,C10,C22,,,,,32101,bmse010334,1
13,covalent,DOUB,C11,C18,,,,,32101,bmse010334,1
14,covalent,SING,C11,C23,,,,,32101,bmse010334,1
15,covalent,DOUB,C12,C19,,,,,32101,bmse010334,1
16,covalent,SING,C12,C24,,,,,32101,bmse010334,1
17,covalent,SING,C13,C20,,,,,32101,bmse010334,1
18,covalent,SING,C13,O32,,,,,32101,bmse010334,1
19,covalent,DOUB,C14,O26,,,,,32101,bmse010334,1
20,covalent,SING,C14,O32,,,,,32101,bmse010334,1
21,covalent,DOUB,C15,O27,,,,,32101,bmse010334,1
22,covalent,SING,C15,O33,,,,,32101,bmse010334,1
23,covalent,DOUB,C16,O28,,,,,32101,bmse010334,1
24,covalent,SING,C16,O34,,,,,32101,bmse010334,1
25,covalent,DOUB,C17,O29,,,,,32101,bmse010334,1
26,covalent,SING,C17,O35,,,,,32101,bmse010334,1
27,covalent,SING,C18,C20,,,,,32101,bmse010334,1
28,covalent,SING,C19,C25,,,,,32101,bmse010334,1
29,covalent,SING,C20,C25,,,,,32101,bmse010334,1
30,covalent,DOUB,C21,C23,,,,,32101,bmse010334,1
31,covalent,SING,C21,O33,,,,,32101,bmse010334,1
32,covalent,DOUB,C22,C24,,,,,32101,bmse010334,1
33,covalent,SING,C22,O34,,,,,32101,bmse010334,1
34,covalent,SING,C23,O30,,,,,32101,bmse010334,1
35,covalent,SING,C24,O31,,,,,32101,bmse010334,1
36,covalent,SING,C25,O35,,,,,32101,bmse010334,1
37,covalent,SING,C1,H37,,,,,32101,bmse010334,1
38,covalent,SING,C1,H36,,,,,32101,bmse010334,1
39,covalent,SING,C1,H38,,,,,32101,bmse010334,1
40,covalent,SING,C2,H40,,,,,32101,bmse010334,1
41,covalent,SING,C2,H39,,,,,32101,bmse010334,1
42,covalent,SING,C2,H41,,,,,32101,bmse010334,1
43,covalent,SING,C3,H44,,,,,32101,bmse010334,1
44,covalent,SING,C3,H42,,,,,32101,bmse010334,1
45,covalent,SING,C3,H43,,,,,32101,bmse010334,1
46,covalent,SING,C4,H46,,,,,32101,bmse010334,1
47,covalent,SING,C4,H47,,,,,32101,bmse010334,1
48,covalent,SING,C4,H45,,,,,32101,bmse010334,1
49,covalent,SING,C5,H49,,,,,32101,bmse010334,1
50,covalent,SING,C5,H48,,,,,32101,bmse010334,1
51,covalent,SING,C5,H50,,,,,32101,bmse010334,1
52,covalent,SING,C6,H53,,,,,32101,bmse010334,1
53,covalent,SING,C6,H51,,,,,32101,bmse010334,1
54,covalent,SING,C6,H52,,,,,32101,bmse010334,1
55,covalent,SING,C7,H54,,,,,32101,bmse010334,1
56,covalent,SING,C8,H55,,,,,32101,bmse010334,1
57,covalent,SING,C9,H56,,,,,32101,bmse010334,1
58,covalent,SING,C10,H57,,,,,32101,bmse010334,1
59,covalent,SING,C11,H58,,,,,32101,bmse010334,1
60,covalent,SING,C12,H59,,,,,32101,bmse010334,1
61,covalent,SING,C13,H60,,,,,32101,bmse010334,1
62,covalent,SING,C13,H61,,,,,32101,bmse010334,1
63,covalent,SING,C20,H62,,,,,32101,bmse010334,1
64,covalent,SING,C25,H63,,,,,32101,bmse010334,1
1,covalent,SING,C1,C14,,,,,32115,bmse010335,1
2,covalent,SING,C2,C15,,,,,32115,bmse010335,1
3,covalent,SING,C3,C16,,,,,32115,bmse010335,1
4,covalent,SING,C4,C17,,,,,32115,bmse010335,1
5,covalent,SING,C5,O30,,,,,32115,bmse010335,1
6,covalent,SING,C6,O31,,,,,32115,bmse010335,1
7,covalent,DOUB,C7,C9,,,,,32115,bmse010335,1
8,covalent,SING,C7,C18,,,,,32115,bmse010335,1
9,covalent,DOUB,C8,C10,,,,,32115,bmse010335,1
10,covalent,SING,C8,C19,,,,,32115,bmse010335,1
11,covalent,SING,C9,C21,,,,,32115,bmse010335,1
12,covalent,SING,C10,C22,,,,,32115,bmse010335,1
13,covalent,DOUB,C11,C18,,,,,32115,bmse010335,1
14,covalent,SING,C11,C23,,,,,32115,bmse010335,1
15,covalent,DOUB,C12,C19,,,,,32115,bmse010335,1
16,covalent,SING,C12,C24,,,,,32115,bmse010335,1
17,covalent,SING,C13,C20,,,,,32115,bmse010335,1
18,covalent,SING,C13,O32,,,,,32115,bmse010335,1
19,covalent,DOUB,C14,O26,,,,,32115,bmse010335,1
20,covalent,SING,C14,O32,,,,,32115,bmse010335,1
21,covalent,DOUB,C15,O27,,,,,32115,bmse010335,1
22,covalent,SING,C15,O33,,,,,32115,bmse010335,1
23,covalent,DOUB,C16,O28,,,,,32115,bmse010335,1
24,covalent,SING,C16,O34,,,,,32115,bmse010335,1
25,covalent,DOUB,C17,O29,,,,,32115,bmse010335,1
26,covalent,SING,C17,O35,,,,,32115,bmse010335,1
27,covalent,SING,C18,C20,,,,,32115,bmse010335,1
28,covalent,SING,C19,C25,,,,,32115,bmse010335,1
29,covalent,SING,C20,C25,,,,,32115,bmse010335,1
30,covalent,DOUB,C21,C23,,,,,32115,bmse010335,1
31,covalent,SING,C21,O33,,,,,32115,bmse010335,1
32,covalent,DOUB,C22,C24,,,,,32115,bmse010335,1
33,covalent,SING,C22,O34,,,,,32115,bmse010335,1
34,covalent,SING,C23,O30,,,,,32115,bmse010335,1
35,covalent,SING,C24,O31,,,,,32115,bmse010335,1
36,covalent,SING,C25,O35,,,,,32115,bmse010335,1
37,covalent,SING,C1,H37,,,,,32115,bmse010335,1
38,covalent,SING,C1,H36,,,,,32115,bmse010335,1
39,covalent,SING,C1,H38,,,,,32115,bmse010335,1
40,covalent,SING,C2,H40,,,,,32115,bmse010335,1
41,covalent,SING,C2,H39,,,,,32115,bmse010335,1
42,covalent,SING,C2,H41,,,,,32115,bmse010335,1
43,covalent,SING,C3,H44,,,,,32115,bmse010335,1
44,covalent,SING,C3,H42,,,,,32115,bmse010335,1
45,covalent,SING,C3,H43,,,,,32115,bmse010335,1
46,covalent,SING,C4,H46,,,,,32115,bmse010335,1
47,covalent,SING,C4,H47,,,,,32115,bmse010335,1
48,covalent,SING,C4,H45,,,,,32115,bmse010335,1
49,covalent,SING,C5,H49,,,,,32115,bmse010335,1
50,covalent,SING,C5,H48,,,,,32115,bmse010335,1
51,covalent,SING,C5,H50,,,,,32115,bmse010335,1
52,covalent,SING,C6,H53,,,,,32115,bmse010335,1
53,covalent,SING,C6,H51,,,,,32115,bmse010335,1
54,covalent,SING,C6,H52,,,,,32115,bmse010335,1
55,covalent,SING,C7,H54,,,,,32115,bmse010335,1
56,covalent,SING,C8,H55,,,,,32115,bmse010335,1
57,covalent,SING,C9,H56,,,,,32115,bmse010335,1
58,covalent,SING,C10,H57,,,,,32115,bmse010335,1
59,covalent,SING,C11,H58,,,,,32115,bmse010335,1
60,covalent,SING,C12,H59,,,,,32115,bmse010335,1
61,covalent,SING,C13,H60,,,,,32115,bmse010335,1
62,covalent,SING,C13,H61,,,,,32115,bmse010335,1
63,covalent,SING,C20,H62,,,,,32115,bmse010335,1
64,covalent,SING,C25,H63,,,,,32115,bmse010335,1
1,covalent,SING,C1,C17,,,,,32129,bmse010336,1
2,covalent,SING,C2,C18,,,,,32129,bmse010336,1
3,covalent,SING,C3,C19,,,,,32129,bmse010336,1
4,covalent,SING,C4,C20,,,,,32129,bmse010336,1
5,covalent,SING,C5,O33,,,,,32129,bmse010336,1
6,covalent,SING,C6,O34,,,,,32129,bmse010336,1
7,covalent,DOUB,C7,C8,,,,,32129,bmse010336,1
8,covalent,SING,C7,C13,,,,,32129,bmse010336,1
9,covalent,SING,C8,C21,,,,,32129,bmse010336,1
10,covalent,DOUB,C9,C11,,,,,32129,bmse010336,1
11,covalent,SING,C9,C21,,,,,32129,bmse010336,1
12,covalent,DOUB,C10,C12,,,,,32129,bmse010336,1
13,covalent,SING,C10,C22,,,,,32129,bmse010336,1
14,covalent,SING,C11,C24,,,,,32129,bmse010336,1
15,covalent,SING,C12,C23,,,,,32129,bmse010336,1
16,covalent,SING,C13,O35,,,,,32129,bmse010336,1
17,covalent,DOUB,C14,C21,,,,,32129,bmse010336,1
18,covalent,SING,C14,C25,,,,,32129,bmse010336,1
19,covalent,DOUB,C15,C22,,,,,32129,bmse010336,1
20,covalent,SING,C15,C26,,,,,32129,bmse010336,1
21,covalent,SING,C16,C27,,,,,32129,bmse010336,1
22,covalent,SING,C16,O36,,,,,32129,bmse010336,1
23,covalent,DOUB,C17,O29,,,,,32129,bmse010336,1
24,covalent,SING,C17,O35,,,,,32129,bmse010336,1
25,covalent,DOUB,C18,O30,,,,,32129,bmse010336,1
26,covalent,SING,C18,O36,,,,,32129,bmse010336,1
27,covalent,DOUB,C19,O31,,,,,32129,bmse010336,1
28,covalent,SING,C19,O37,,,,,32129,bmse010336,1
29,covalent,DOUB,C20,O32,,,,,32129,bmse010336,1
30,covalent,SING,C20,O38,,,,,32129,bmse010336,1
31,covalent,SING,C22,C28,,,,,32129,bmse010336,1
32,covalent,DOUB,C23,C26,,,,,32129,bmse010336,1
33,covalent,SING,C23,O37,,,,,32129,bmse010336,1
34,covalent,DOUB,C24,C25,,,,,32129,bmse010336,1
35,covalent,SING,C24,O39,,,,,32129,bmse010336,1
36,covalent,SING,C25,O33,,,,,32129,bmse010336,1
37,covalent,SING,C26,O34,,,,,32129,bmse010336,1
38,covalent,SING,C27,C28,,,,,32129,bmse010336,1
39,covalent,SING,C27,O39,,,,,32129,bmse010336,1
40,covalent,SING,C28,O38,,,,,32129,bmse010336,1
41,covalent,SING,C1,H42,,,,,32129,bmse010336,1
42,covalent,SING,C1,H41,,,,,32129,bmse010336,1
43,covalent,SING,C1,H40,,,,,32129,bmse010336,1
44,covalent,SING,C2,H45,,,,,32129,bmse010336,1
45,covalent,SING,C2,H43,,,,,32129,bmse010336,1
46,covalent,SING,C2,H44,,,,,32129,bmse010336,1
47,covalent,SING,C3,H47,,,,,32129,bmse010336,1
48,covalent,SING,C3,H46,,,,,32129,bmse010336,1
49,covalent,SING,C3,H48,,,,,32129,bmse010336,1
50,covalent,SING,C4,H51,,,,,32129,bmse010336,1
51,covalent,SING,C4,H50,,,,,32129,bmse010336,1
52,covalent,SING,C4,H49,,,,,32129,bmse010336,1
53,covalent,SING,C5,H53,,,,,32129,bmse010336,1
54,covalent,SING,C5,H52,,,,,32129,bmse010336,1
55,covalent,SING,C5,H54,,,,,32129,bmse010336,1
56,covalent,SING,C6,H55,,,,,32129,bmse010336,1
57,covalent,SING,C6,H56,,,,,32129,bmse010336,1
58,covalent,SING,C6,H57,,,,,32129,bmse010336,1
59,covalent,SING,C7,H58,,,,,32129,bmse010336,1
60,covalent,SING,C8,H59,,,,,32129,bmse010336,1
61,covalent,SING,C9,H60,,,,,32129,bmse010336,1
62,covalent,SING,C10,H61,,,,,32129,bmse010336,1
63,covalent,SING,C11,H62,,,,,32129,bmse010336,1
64,covalent,SING,C12,H63,,,,,32129,bmse010336,1
65,covalent,SING,C13,H64,,,,,32129,bmse010336,1
66,covalent,SING,C13,H65,,,,,32129,bmse010336,1
67,covalent,SING,C14,H66,,,,,32129,bmse010336,1
68,covalent,SING,C15,H67,,,,,32129,bmse010336,1
69,covalent,SING,C16,H68,,,,,32129,bmse010336,1
70,covalent,SING,C16,H69,,,,,32129,bmse010336,1
71,covalent,SING,C27,H70,,,,,32129,bmse010336,1
72,covalent,SING,C28,H71,,,,,32129,bmse010336,1
1,covalent,SING,C1,C16,,,,,32143,bmse010337,1
2,covalent,SING,C2,C17,,,,,32143,bmse010337,1
3,covalent,SING,C3,C18,,,,,32143,bmse010337,1
4,covalent,SING,C4,O31,,,,,32143,bmse010337,1
5,covalent,SING,C5,O32,,,,,32143,bmse010337,1
6,covalent,DOUB,C6,C7,,,,,32143,bmse010337,1
7,covalent,SING,C6,C12,,,,,32143,bmse010337,1
8,covalent,SING,C7,C19,,,,,32143,bmse010337,1
9,covalent,DOUB,C8,C10,,,,,32143,bmse010337,1
10,covalent,SING,C8,C19,,,,,32143,bmse010337,1
11,covalent,DOUB,C9,C11,,,,,32143,bmse010337,1
12,covalent,SING,C9,C20,,,,,32143,bmse010337,1
13,covalent,SING,C10,C22,,,,,32143,bmse010337,1
14,covalent,SING,C11,C21,,,,,32143,bmse010337,1
15,covalent,DOUB,C12,O27,,,,,32143,bmse010337,1
16,covalent,DOUB,C13,C19,,,,,32143,bmse010337,1
17,covalent,SING,C13,C23,,,,,32143,bmse010337,1
18,covalent,DOUB,C14,C20,,,,,32143,bmse010337,1
19,covalent,SING,C14,C24,,,,,32143,bmse010337,1
20,covalent,SING,C15,C25,,,,,32143,bmse010337,1
21,covalent,SING,C15,O33,,,,,32143,bmse010337,1
22,covalent,DOUB,C16,O28,,,,,32143,bmse010337,1
23,covalent,SING,C16,O33,,,,,32143,bmse010337,1
24,covalent,DOUB,C17,O29,,,,,32143,bmse010337,1
25,covalent,SING,C17,O34,,,,,32143,bmse010337,1
26,covalent,DOUB,C18,O30,,,,,32143,bmse010337,1
27,covalent,SING,C18,O35,,,,,32143,bmse010337,1
28,covalent,SING,C20,C26,,,,,32143,bmse010337,1
29,covalent,DOUB,C21,C24,,,,,32143,bmse010337,1
30,covalent,SING,C21,O34,,,,,32143,bmse010337,1
31,covalent,DOUB,C22,C23,,,,,32143,bmse010337,1
32,covalent,SING,C22,O36,,,,,32143,bmse010337,1
33,covalent,SING,C23,O31,,,,,32143,bmse010337,1
34,covalent,SING,C24,O32,,,,,32143,bmse010337,1
35,covalent,SING,C25,C26,,,,,32143,bmse010337,1
36,covalent,SING,C25,O36,,,,,32143,bmse010337,1
37,covalent,SING,C26,O35,,,,,32143,bmse010337,1
38,covalent,SING,C1,H39,,,,,32143,bmse010337,1
39,covalent,SING,C1,H37,,,,,32143,bmse010337,1
40,covalent,SING,C1,H38,,,,,32143,bmse010337,1
41,covalent,SING,C2,H41,,,,,32143,bmse010337,1
42,covalent,SING,C2,H40,,,,,32143,bmse010337,1
43,covalent,SING,C2,H42,,,,,32143,bmse010337,1
44,covalent,SING,C3,H45,,,,,32143,bmse010337,1
45,covalent,SING,C3,H44,,,,,32143,bmse010337,1
46,covalent,SING,C3,H43,,,,,32143,bmse010337,1
47,covalent,SING,C4,H47,,,,,32143,bmse010337,1
48,covalent,SING,C4,H46,,,,,32143,bmse010337,1
49,covalent,SING,C4,H48,,,,,32143,bmse010337,1
50,covalent,SING,C5,H49,,,,,32143,bmse010337,1
51,covalent,SING,C5,H50,,,,,32143,bmse010337,1
52,covalent,SING,C5,H51,,,,,32143,bmse010337,1
53,covalent,SING,C6,H52,,,,,32143,bmse010337,1
54,covalent,SING,C7,H53,,,,,32143,bmse010337,1
55,covalent,SING,C8,H54,,,,,32143,bmse010337,1
56,covalent,SING,C9,H55,,,,,32143,bmse010337,1
57,covalent,SING,C10,H56,,,,,32143,bmse010337,1
58,covalent,SING,C11,H57,,,,,32143,bmse010337,1
59,covalent,SING,C12,H58,,,,,32143,bmse010337,1
60,covalent,SING,C13,H59,,,,,32143,bmse010337,1
61,covalent,SING,C14,H60,,,,,32143,bmse010337,1
62,covalent,SING,C15,H61,,,,,32143,bmse010337,1
63,covalent,SING,C15,H62,,,,,32143,bmse010337,1
64,covalent,SING,C25,H63,,,,,32143,bmse010337,1
65,covalent,SING,C26,H64,,,,,32143,bmse010337,1
1,covalent,SING,C1,C16,,,,,32160,bmse010338,1
2,covalent,SING,C2,C17,,,,,32160,bmse010338,1
3,covalent,SING,C3,C18,,,,,32160,bmse010338,1
4,covalent,SING,C4,O31,,,,,32160,bmse010338,1
5,covalent,SING,C5,O32,,,,,32160,bmse010338,1
6,covalent,DOUB,C6,C7,,,,,32160,bmse010338,1
7,covalent,SING,C6,C12,,,,,32160,bmse010338,1
8,covalent,SING,C7,C19,,,,,32160,bmse010338,1
9,covalent,DOUB,C8,C10,,,,,32160,bmse010338,1
10,covalent,SING,C8,C19,,,,,32160,bmse010338,1
11,covalent,DOUB,C9,C11,,,,,32160,bmse010338,1
12,covalent,SING,C9,C20,,,,,32160,bmse010338,1
13,covalent,SING,C10,C22,,,,,32160,bmse010338,1
14,covalent,SING,C11,C21,,,,,32160,bmse010338,1
15,covalent,DOUB,C12,O27,,,,,32160,bmse010338,1
16,covalent,DOUB,C13,C19,,,,,32160,bmse010338,1
17,covalent,SING,C13,C23,,,,,32160,bmse010338,1
18,covalent,DOUB,C14,C20,,,,,32160,bmse010338,1
19,covalent,SING,C14,C24,,,,,32160,bmse010338,1
20,covalent,SING,C15,C25,,,,,32160,bmse010338,1
21,covalent,SING,C15,O33,,,,,32160,bmse010338,1
22,covalent,DOUB,C16,O28,,,,,32160,bmse010338,1
23,covalent,SING,C16,O33,,,,,32160,bmse010338,1
24,covalent,DOUB,C17,O29,,,,,32160,bmse010338,1
25,covalent,SING,C17,O34,,,,,32160,bmse010338,1
26,covalent,DOUB,C18,O30,,,,,32160,bmse010338,1
27,covalent,SING,C18,O35,,,,,32160,bmse010338,1
28,covalent,SING,C20,C26,,,,,32160,bmse010338,1
29,covalent,DOUB,C21,C24,,,,,32160,bmse010338,1
30,covalent,SING,C21,O34,,,,,32160,bmse010338,1
31,covalent,DOUB,C22,C23,,,,,32160,bmse010338,1
32,covalent,SING,C22,O36,,,,,32160,bmse010338,1
33,covalent,SING,C23,O31,,,,,32160,bmse010338,1
34,covalent,SING,C24,O32,,,,,32160,bmse010338,1
35,covalent,SING,C25,C26,,,,,32160,bmse010338,1
36,covalent,SING,C25,O36,,,,,32160,bmse010338,1
37,covalent,SING,C26,O35,,,,,32160,bmse010338,1
38,covalent,SING,C1,H39,,,,,32160,bmse010338,1
39,covalent,SING,C1,H37,,,,,32160,bmse010338,1
40,covalent,SING,C1,H38,,,,,32160,bmse010338,1
41,covalent,SING,C2,H41,,,,,32160,bmse010338,1
42,covalent,SING,C2,H40,,,,,32160,bmse010338,1
43,covalent,SING,C2,H42,,,,,32160,bmse010338,1
44,covalent,SING,C3,H45,,,,,32160,bmse010338,1
45,covalent,SING,C3,H44,,,,,32160,bmse010338,1
46,covalent,SING,C3,H43,,,,,32160,bmse010338,1
47,covalent,SING,C4,H47,,,,,32160,bmse010338,1
48,covalent,SING,C4,H46,,,,,32160,bmse010338,1
49,covalent,SING,C4,H48,,,,,32160,bmse010338,1
50,covalent,SING,C5,H49,,,,,32160,bmse010338,1
51,covalent,SING,C5,H50,,,,,32160,bmse010338,1
52,covalent,SING,C5,H51,,,,,32160,bmse010338,1
53,covalent,SING,C6,H52,,,,,32160,bmse010338,1
54,covalent,SING,C7,H53,,,,,32160,bmse010338,1
55,covalent,SING,C8,H54,,,,,32160,bmse010338,1
56,covalent,SING,C9,H55,,,,,32160,bmse010338,1
57,covalent,SING,C10,H56,,,,,32160,bmse010338,1
58,covalent,SING,C11,H57,,,,,32160,bmse010338,1
59,covalent,SING,C12,H58,,,,,32160,bmse010338,1
60,covalent,SING,C13,H59,,,,,32160,bmse010338,1
61,covalent,SING,C14,H60,,,,,32160,bmse010338,1
62,covalent,SING,C15,H61,,,,,32160,bmse010338,1
63,covalent,SING,C15,H62,,,,,32160,bmse010338,1
64,covalent,SING,C25,H63,,,,,32160,bmse010338,1
65,covalent,SING,C26,H64,,,,,32160,bmse010338,1
1,covalent,SING,C1,O24,,,,,32177,bmse010339,1
2,covalent,SING,C2,O25,,,,,32177,bmse010339,1
3,covalent,DOUB,C3,C4,,,,,32177,bmse010339,1
4,covalent,SING,C3,C10,,,,,32177,bmse010339,1
5,covalent,SING,C4,C15,,,,,32177,bmse010339,1
6,covalent,SING,C5,C11,,,,,32177,bmse010339,1
7,covalent,SING,C5,C13,,,,,32177,bmse010339,1
8,covalent,DOUB,C6,C10,,,,,32177,bmse010339,1
9,covalent,SING,C6,C17,,,,,32177,bmse010339,1
10,covalent,DOUB,C7,C11,,,,,32177,bmse010339,1
11,covalent,SING,C7,C18,,,,,32177,bmse010339,1
12,covalent,DOUB,C8,C12,,,,,32177,bmse010339,1
13,covalent,SING,C8,C16,,,,,32177,bmse010339,1
14,covalent,SING,C9,C14,,,,,32177,bmse010339,1
15,covalent,SING,C9,O26,,,,,32177,bmse010339,1
16,covalent,SING,C10,C19,,,,,32177,bmse010339,1
17,covalent,SING,C11,C12,,,,,32177,bmse010339,1
18,covalent,SING,C12,C19,,,,,32177,bmse010339,1
19,covalent,SING,C13,C14,,,,,32177,bmse010339,1
20,covalent,SING,C13,C20,,,,,32177,bmse010339,1
21,covalent,SING,C14,C19,,,,,32177,bmse010339,1
22,covalent,DOUB,C15,C17,,,,,32177,bmse010339,1
23,covalent,SING,C15,O21,,,,,32177,bmse010339,1
24,covalent,DOUB,C16,C18,,,,,32177,bmse010339,1
25,covalent,SING,C16,O22,,,,,32177,bmse010339,1
26,covalent,SING,C17,O24,,,,,32177,bmse010339,1
27,covalent,SING,C18,O25,,,,,32177,bmse010339,1
28,covalent,SING,C20,O23,,,,,32177,bmse010339,1
29,covalent,SING,C20,O26,,,,,32177,bmse010339,1
30,covalent,SING,C1,H27,,,,,32177,bmse010339,1
31,covalent,SING,C1,H28,,,,,32177,bmse010339,1
32,covalent,SING,C1,H29,,,,,32177,bmse010339,1
33,covalent,SING,C2,H30,,,,,32177,bmse010339,1
34,covalent,SING,C2,H31,,,,,32177,bmse010339,1
35,covalent,SING,C2,H32,,,,,32177,bmse010339,1
36,covalent,SING,C3,H33,,,,,32177,bmse010339,1
37,covalent,SING,C4,H34,,,,,32177,bmse010339,1
38,covalent,SING,C5,H35,,,,,32177,bmse010339,1
39,covalent,SING,C5,H36,,,,,32177,bmse010339,1
40,covalent,SING,C6,H37,,,,,32177,bmse010339,1
41,covalent,SING,C7,H38,,,,,32177,bmse010339,1
42,covalent,SING,C8,H39,,,,,32177,bmse010339,1
43,covalent,SING,C9,H40,,,,,32177,bmse010339,1
44,covalent,SING,C9,H41,,,,,32177,bmse010339,1
45,covalent,SING,C13,H42,,,,,32177,bmse010339,1
46,covalent,SING,C14,H43,,,,,32177,bmse010339,1
47,covalent,SING,C19,H44,,,,,32177,bmse010339,1
48,covalent,SING,C20,H45,,,,,32177,bmse010339,1
49,covalent,SING,O21,H46,,,,,32177,bmse010339,1
50,covalent,SING,O22,H47,,,,,32177,bmse010339,1
51,covalent,SING,O23,H48,,,,,32177,bmse010339,1
1,covalent,SING,C1,O24,,,,,32191,bmse010340,1
2,covalent,SING,C2,O25,,,,,32191,bmse010340,1
3,covalent,DOUB,C3,C4,,,,,32191,bmse010340,1
4,covalent,SING,C3,C10,,,,,32191,bmse010340,1
5,covalent,SING,C4,C15,,,,,32191,bmse010340,1
6,covalent,SING,C5,C11,,,,,32191,bmse010340,1
7,covalent,SING,C5,C13,,,,,32191,bmse010340,1
8,covalent,DOUB,C6,C10,,,,,32191,bmse010340,1
9,covalent,SING,C6,C17,,,,,32191,bmse010340,1
10,covalent,DOUB,C7,C11,,,,,32191,bmse010340,1
11,covalent,SING,C7,C18,,,,,32191,bmse010340,1
12,covalent,DOUB,C8,C12,,,,,32191,bmse010340,1
13,covalent,SING,C8,C16,,,,,32191,bmse010340,1
14,covalent,SING,C9,C14,,,,,32191,bmse010340,1
15,covalent,SING,C9,O26,,,,,32191,bmse010340,1
16,covalent,SING,C10,C19,,,,,32191,bmse010340,1
17,covalent,SING,C11,C12,,,,,32191,bmse010340,1
18,covalent,SING,C12,C19,,,,,32191,bmse010340,1
19,covalent,SING,C13,C14,,,,,32191,bmse010340,1
20,covalent,SING,C13,C20,,,,,32191,bmse010340,1
21,covalent,SING,C14,C19,,,,,32191,bmse010340,1
22,covalent,DOUB,C15,C17,,,,,32191,bmse010340,1
23,covalent,SING,C15,O21,,,,,32191,bmse010340,1
24,covalent,DOUB,C16,C18,,,,,32191,bmse010340,1
25,covalent,SING,C16,O22,,,,,32191,bmse010340,1
26,covalent,SING,C17,O24,,,,,32191,bmse010340,1
27,covalent,SING,C18,O25,,,,,32191,bmse010340,1
28,covalent,SING,C20,O23,,,,,32191,bmse010340,1
29,covalent,SING,C20,O26,,,,,32191,bmse010340,1
30,covalent,SING,C1,H27,,,,,32191,bmse010340,1
31,covalent,SING,C1,H28,,,,,32191,bmse010340,1
32,covalent,SING,C1,H29,,,,,32191,bmse010340,1
33,covalent,SING,C2,H31,,,,,32191,bmse010340,1
34,covalent,SING,C2,H32,,,,,32191,bmse010340,1
35,covalent,SING,C2,H30,,,,,32191,bmse010340,1
36,covalent,SING,C3,H33,,,,,32191,bmse010340,1
37,covalent,SING,C4,H34,,,,,32191,bmse010340,1
38,covalent,SING,C5,H35,,,,,32191,bmse010340,1
39,covalent,SING,C5,H36,,,,,32191,bmse010340,1
40,covalent,SING,C6,H37,,,,,32191,bmse010340,1
41,covalent,SING,C7,H38,,,,,32191,bmse010340,1
42,covalent,SING,C8,H39,,,,,32191,bmse010340,1
43,covalent,SING,C9,H40,,,,,32191,bmse010340,1
44,covalent,SING,C9,H41,,,,,32191,bmse010340,1
45,covalent,SING,C13,H42,,,,,32191,bmse010340,1
46,covalent,SING,C14,H43,,,,,32191,bmse010340,1
47,covalent,SING,C19,H44,,,,,32191,bmse010340,1
48,covalent,SING,C20,H45,,,,,32191,bmse010340,1
49,covalent,SING,O21,H46,,,,,32191,bmse010340,1
50,covalent,SING,O22,H47,,,,,32191,bmse010340,1
51,covalent,SING,O23,H48,,,,,32191,bmse010340,1
1,covalent,SING,C1,C12,,,,,32205,bmse010341,1
2,covalent,SING,C2,C13,,,,,32205,bmse010341,1
3,covalent,SING,C3,O28,,,,,32205,bmse010341,1
4,covalent,SING,C4,O29,,,,,32205,bmse010341,1
5,covalent,DOUB,C5,C6,,,,,32205,bmse010341,1
6,covalent,SING,C5,C14,,,,,32205,bmse010341,1
7,covalent,SING,C6,C19,,,,,32205,bmse010341,1
8,covalent,SING,C7,C15,,,,,32205,bmse010341,1
9,covalent,SING,C7,C17,,,,,32205,bmse010341,1
10,covalent,DOUB,C8,C14,,,,,32205,bmse010341,1
11,covalent,SING,C8,C20,,,,,32205,bmse010341,1
12,covalent,DOUB,C9,C15,,,,,32205,bmse010341,1
13,covalent,SING,C9,C21,,,,,32205,bmse010341,1
14,covalent,DOUB,C10,C16,,,,,32205,bmse010341,1
15,covalent,SING,C10,C22,,,,,32205,bmse010341,1
16,covalent,SING,C11,C18,,,,,32205,bmse010341,1
17,covalent,SING,C11,O30,,,,,32205,bmse010341,1
18,covalent,DOUB,C12,O25,,,,,32205,bmse010341,1
19,covalent,SING,C12,O31,,,,,32205,bmse010341,1
20,covalent,DOUB,C13,O26,,,,,32205,bmse010341,1
21,covalent,SING,C13,O32,,,,,32205,bmse010341,1
22,covalent,SING,C14,C23,,,,,32205,bmse010341,1
23,covalent,SING,C15,C16,,,,,32205,bmse010341,1
24,covalent,SING,C16,C23,,,,,32205,bmse010341,1
25,covalent,SING,C17,C18,,,,,32205,bmse010341,1
26,covalent,SING,C17,C24,,,,,32205,bmse010341,1
27,covalent,SING,C18,C23,,,,,32205,bmse010341,1
28,covalent,DOUB,C19,C20,,,,,32205,bmse010341,1
29,covalent,SING,C19,O31,,,,,32205,bmse010341,1
30,covalent,SING,C20,O28,,,,,32205,bmse010341,1
31,covalent,DOUB,C21,C22,,,,,32205,bmse010341,1
32,covalent,SING,C21,O29,,,,,32205,bmse010341,1
33,covalent,SING,C22,O32,,,,,32205,bmse010341,1
34,covalent,DOUB,C24,O27,,,,,32205,bmse010341,1
35,covalent,SING,C24,O30,,,,,32205,bmse010341,1
36,covalent,SING,C1,H35,,,,,32205,bmse010341,1
37,covalent,SING,C1,H34,,,,,32205,bmse010341,1
38,covalent,SING,C1,H33,,,,,32205,bmse010341,1
39,covalent,SING,C2,H36,,,,,32205,bmse010341,1
40,covalent,SING,C2,H37,,,,,32205,bmse010341,1
41,covalent,SING,C2,H38,,,,,32205,bmse010341,1
42,covalent,SING,C3,H40,,,,,32205,bmse010341,1
43,covalent,SING,C3,H39,,,,,32205,bmse010341,1
44,covalent,SING,C3,H41,,,,,32205,bmse010341,1
45,covalent,SING,C4,H43,,,,,32205,bmse010341,1
46,covalent,SING,C4,H44,,,,,32205,bmse010341,1
47,covalent,SING,C4,H42,,,,,32205,bmse010341,1
48,covalent,SING,C5,H45,,,,,32205,bmse010341,1
49,covalent,SING,C6,H46,,,,,32205,bmse010341,1
50,covalent,SING,C7,H47,,,,,32205,bmse010341,1
51,covalent,SING,C7,H48,,,,,32205,bmse010341,1
52,covalent,SING,C8,H49,,,,,32205,bmse010341,1
53,covalent,SING,C9,H50,,,,,32205,bmse010341,1
54,covalent,SING,C10,H51,,,,,32205,bmse010341,1
55,covalent,SING,C11,H52,,,,,32205,bmse010341,1
56,covalent,SING,C11,H53,,,,,32205,bmse010341,1
57,covalent,SING,C17,H54,,,,,32205,bmse010341,1
58,covalent,SING,C18,H55,,,,,32205,bmse010341,1
59,covalent,SING,C23,H56,,,,,32205,bmse010341,1
1,covalent,SING,C1,O24,,,,,32222,bmse010342,1
2,covalent,SING,C2,O25,,,,,32222,bmse010342,1
3,covalent,DOUB,C3,C4,,,,,32222,bmse010342,1
4,covalent,SING,C3,C10,,,,,32222,bmse010342,1
5,covalent,SING,C4,C15,,,,,32222,bmse010342,1
6,covalent,SING,C5,C11,,,,,32222,bmse010342,1
7,covalent,SING,C5,C13,,,,,32222,bmse010342,1
8,covalent,DOUB,C6,C10,,,,,32222,bmse010342,1
9,covalent,SING,C6,C17,,,,,32222,bmse010342,1
10,covalent,DOUB,C7,C11,,,,,32222,bmse010342,1
11,covalent,SING,C7,C18,,,,,32222,bmse010342,1
12,covalent,DOUB,C8,C12,,,,,32222,bmse010342,1
13,covalent,SING,C8,C16,,,,,32222,bmse010342,1
14,covalent,SING,C9,C14,,,,,32222,bmse010342,1
15,covalent,SING,C9,O26,,,,,32222,bmse010342,1
16,covalent,SING,C10,C19,,,,,32222,bmse010342,1
17,covalent,SING,C11,C12,,,,,32222,bmse010342,1
18,covalent,SING,C12,C19,,,,,32222,bmse010342,1
19,covalent,SING,C13,C14,,,,,32222,bmse010342,1
20,covalent,SING,C13,C20,,,,,32222,bmse010342,1
21,covalent,SING,C14,C19,,,,,32222,bmse010342,1
22,covalent,DOUB,C15,C17,,,,,32222,bmse010342,1
23,covalent,SING,C15,O21,,,,,32222,bmse010342,1
24,covalent,DOUB,C16,C18,,,,,32222,bmse010342,1
25,covalent,SING,C16,O22,,,,,32222,bmse010342,1
26,covalent,SING,C17,O24,,,,,32222,bmse010342,1
27,covalent,SING,C18,O25,,,,,32222,bmse010342,1
28,covalent,DOUB,C20,O23,,,,,32222,bmse010342,1
29,covalent,SING,C20,O26,,,,,32222,bmse010342,1
30,covalent,SING,C1,H28,,,,,32222,bmse010342,1
31,covalent,SING,C1,H27,,,,,32222,bmse010342,1
32,covalent,SING,C1,H29,,,,,32222,bmse010342,1
33,covalent,SING,C2,H31,,,,,32222,bmse010342,1
34,covalent,SING,C2,H30,,,,,32222,bmse010342,1
35,covalent,SING,C2,H32,,,,,32222,bmse010342,1
36,covalent,SING,C3,H33,,,,,32222,bmse010342,1
37,covalent,SING,C4,H34,,,,,32222,bmse010342,1
38,covalent,SING,C5,H35,,,,,32222,bmse010342,1
39,covalent,SING,C5,H36,,,,,32222,bmse010342,1
40,covalent,SING,C6,H37,,,,,32222,bmse010342,1
41,covalent,SING,C7,H38,,,,,32222,bmse010342,1
42,covalent,SING,C8,H39,,,,,32222,bmse010342,1
43,covalent,SING,C9,H40,,,,,32222,bmse010342,1
44,covalent,SING,C9,H41,,,,,32222,bmse010342,1
45,covalent,SING,C13,H42,,,,,32222,bmse010342,1
46,covalent,SING,C14,H43,,,,,32222,bmse010342,1
47,covalent,SING,C19,H44,,,,,32222,bmse010342,1
48,covalent,SING,O21,H45,,,,,32222,bmse010342,1
49,covalent,SING,O22,H46,,,,,32222,bmse010342,1
1,covalent,SING,C1,C15,,,,,32236,bmse010343,1
2,covalent,SING,C2,C16,,,,,32236,bmse010343,1
3,covalent,SING,C3,C17,,,,,32236,bmse010343,1
4,covalent,SING,C4,C18,,,,,32236,bmse010343,1
5,covalent,SING,C5,O33,,,,,32236,bmse010343,1
6,covalent,SING,C6,O34,,,,,32236,bmse010343,1
7,covalent,DOUB,C7,C8,,,,,32236,bmse010343,1
8,covalent,SING,C7,C19,,,,,32236,bmse010343,1
9,covalent,SING,C8,C24,,,,,32236,bmse010343,1
10,covalent,SING,C9,C20,,,,,32236,bmse010343,1
11,covalent,SING,C9,C21,,,,,32236,bmse010343,1
12,covalent,DOUB,C10,C19,,,,,32236,bmse010343,1
13,covalent,SING,C10,C25,,,,,32236,bmse010343,1
14,covalent,DOUB,C11,C20,,,,,32236,bmse010343,1
15,covalent,SING,C11,C26,,,,,32236,bmse010343,1
16,covalent,DOUB,C12,C22,,,,,32236,bmse010343,1
17,covalent,SING,C12,C27,,,,,32236,bmse010343,1
18,covalent,SING,C13,C21,,,,,32236,bmse010343,1
19,covalent,SING,C13,O35,,,,,32236,bmse010343,1
20,covalent,SING,C14,C23,,,,,32236,bmse010343,1
21,covalent,SING,C14,O36,,,,,32236,bmse010343,1
22,covalent,DOUB,C15,O29,,,,,32236,bmse010343,1
23,covalent,SING,C15,O35,,,,,32236,bmse010343,1
24,covalent,DOUB,C16,O30,,,,,32236,bmse010343,1
25,covalent,SING,C16,O36,,,,,32236,bmse010343,1
26,covalent,DOUB,C17,O31,,,,,32236,bmse010343,1
27,covalent,SING,C17,O37,,,,,32236,bmse010343,1
28,covalent,DOUB,C18,O32,,,,,32236,bmse010343,1
29,covalent,SING,C18,O38,,,,,32236,bmse010343,1
30,covalent,SING,C19,C28,,,,,32236,bmse010343,1
31,covalent,SING,C20,C22,,,,,32236,bmse010343,1
32,covalent,SING,C21,C23,,,,,32236,bmse010343,1
33,covalent,SING,C22,C28,,,,,32236,bmse010343,1
34,covalent,SING,C23,C28,,,,,32236,bmse010343,1
35,covalent,DOUB,C24,C25,,,,,32236,bmse010343,1
36,covalent,SING,C24,O37,,,,,32236,bmse010343,1
37,covalent,SING,C25,O33,,,,,32236,bmse010343,1
38,covalent,DOUB,C26,C27,,,,,32236,bmse010343,1
39,covalent,SING,C26,O34,,,,,32236,bmse010343,1
40,covalent,SING,C27,O38,,,,,32236,bmse010343,1
41,covalent,SING,C1,H39,,,,,32236,bmse010343,1
42,covalent,SING,C1,H41,,,,,32236,bmse010343,1
43,covalent,SING,C1,H40,,,,,32236,bmse010343,1
44,covalent,SING,C2,H42,,,,,32236,bmse010343,1
45,covalent,SING,C2,H44,,,,,32236,bmse010343,1
46,covalent,SING,C2,H43,,,,,32236,bmse010343,1
47,covalent,SING,C3,H47,,,,,32236,bmse010343,1
48,covalent,SING,C3,H46,,,,,32236,bmse010343,1
49,covalent,SING,C3,H45,,,,,32236,bmse010343,1
50,covalent,SING,C4,H48,,,,,32236,bmse010343,1
51,covalent,SING,C4,H49,,,,,32236,bmse010343,1
52,covalent,SING,C4,H50,,,,,32236,bmse010343,1
53,covalent,SING,C5,H51,,,,,32236,bmse010343,1
54,covalent,SING,C5,H52,,,,,32236,bmse010343,1
55,covalent,SING,C5,H53,,,,,32236,bmse010343,1
56,covalent,SING,C6,H55,,,,,32236,bmse010343,1
57,covalent,SING,C6,H54,,,,,32236,bmse010343,1
58,covalent,SING,C6,H56,,,,,32236,bmse010343,1
59,covalent,SING,C7,H57,,,,,32236,bmse010343,1
60,covalent,SING,C8,H58,,,,,32236,bmse010343,1
61,covalent,SING,C9,H59,,,,,32236,bmse010343,1
62,covalent,SING,C9,H60,,,,,32236,bmse010343,1
63,covalent,SING,C10,H61,,,,,32236,bmse010343,1
64,covalent,SING,C11,H62,,,,,32236,bmse010343,1
65,covalent,SING,C12,H63,,,,,32236,bmse010343,1
66,covalent,SING,C13,H64,,,,,32236,bmse010343,1
67,covalent,SING,C13,H65,,,,,32236,bmse010343,1
68,covalent,SING,C14,H66,,,,,32236,bmse010343,1
69,covalent,SING,C14,H67,,,,,32236,bmse010343,1
70,covalent,SING,C21,H68,,,,,32236,bmse010343,1
71,covalent,SING,C23,H69,,,,,32236,bmse010343,1
72,covalent,SING,C28,H70,,,,,32236,bmse010343,1
1,covalent,SING,C1,O35,,,,,32253,bmse010344,1
2,covalent,SING,C2,O36,,,,,32253,bmse010344,1
3,covalent,SING,C3,O37,,,,,32253,bmse010344,1
4,covalent,SING,C4,C11,,,,,32253,bmse010344,1
5,covalent,DOUB,C4,C20,,,,,32253,bmse010344,1
6,covalent,DOUB,C5,C12,,,,,32253,bmse010344,1
7,covalent,SING,C5,C20,,,,,32253,bmse010344,1
8,covalent,SING,C6,C13,,,,,32253,bmse010344,1
9,covalent,DOUB,C6,C21,,,,,32253,bmse010344,1
10,covalent,DOUB,C7,C14,,,,,32253,bmse010344,1
11,covalent,SING,C7,C21,,,,,32253,bmse010344,1
12,covalent,DOUB,C8,C16,,,,,32253,bmse010344,1
13,covalent,SING,C8,C20,,,,,32253,bmse010344,1
14,covalent,DOUB,C9,C17,,,,,32253,bmse010344,1
15,covalent,SING,C9,C21,,,,,32253,bmse010344,1
16,covalent,DOUB,C10,C15,,,,,32253,bmse010344,1
17,covalent,SING,C10,C22,,,,,32253,bmse010344,1
18,covalent,DOUB,C11,C23,,,,,32253,bmse010344,1
19,covalent,SING,C12,C23,,,,,32253,bmse010344,1
20,covalent,DOUB,C13,C24,,,,,32253,bmse010344,1
21,covalent,SING,C14,C24,,,,,32253,bmse010344,1
22,covalent,SING,C15,C25,,,,,32253,bmse010344,1
23,covalent,SING,C16,C28,,,,,32253,bmse010344,1
24,covalent,SING,C17,C29,,,,,32253,bmse010344,1
25,covalent,DOUB,C18,C22,,,,,32253,bmse010344,1
26,covalent,SING,C18,C26,,,,,32253,bmse010344,1
27,covalent,SING,C19,C27,,,,,32253,bmse010344,1
28,covalent,SING,C19,O31,,,,,32253,bmse010344,1
29,covalent,SING,C22,C30,,,,,32253,bmse010344,1
30,covalent,SING,C23,O38,,,,,32253,bmse010344,1
31,covalent,SING,C24,O39,,,,,32253,bmse010344,1
32,covalent,DOUB,C25,C26,,,,,32253,bmse010344,1
33,covalent,SING,C25,O32,,,,,32253,bmse010344,1
34,covalent,SING,C26,O35,,,,,32253,bmse010344,1
35,covalent,SING,C27,C30,,,,,32253,bmse010344,1
36,covalent,SING,C27,O38,,,,,32253,bmse010344,1
37,covalent,DOUB,C28,O33,,,,,32253,bmse010344,1
38,covalent,SING,C28,O36,,,,,32253,bmse010344,1
39,covalent,DOUB,C29,O34,,,,,32253,bmse010344,1
40,covalent,SING,C29,O37,,,,,32253,bmse010344,1
41,covalent,SING,C30,O39,,,,,32253,bmse010344,1
42,covalent,SING,C1,H40,,,,,32253,bmse010344,1
43,covalent,SING,C1,H41,,,,,32253,bmse010344,1
44,covalent,SING,C1,H42,,,,,32253,bmse010344,1
45,covalent,SING,C2,H45,,,,,32253,bmse010344,1
46,covalent,SING,C2,H43,,,,,32253,bmse010344,1
47,covalent,SING,C2,H44,,,,,32253,bmse010344,1
48,covalent,SING,C3,H47,,,,,32253,bmse010344,1
49,covalent,SING,C3,H48,,,,,32253,bmse010344,1
50,covalent,SING,C3,H46,,,,,32253,bmse010344,1
51,covalent,SING,C4,H49,,,,,32253,bmse010344,1
52,covalent,SING,C5,H50,,,,,32253,bmse010344,1
53,covalent,SING,C6,H51,,,,,32253,bmse010344,1
54,covalent,SING,C7,H52,,,,,32253,bmse010344,1
55,covalent,SING,C8,H53,,,,,32253,bmse010344,1
56,covalent,SING,C9,H54,,,,,32253,bmse010344,1
57,covalent,SING,C10,H55,,,,,32253,bmse010344,1
58,covalent,SING,C11,H56,,,,,32253,bmse010344,1
59,covalent,SING,C12,H57,,,,,32253,bmse010344,1
60,covalent,SING,C13,H58,,,,,32253,bmse010344,1
61,covalent,SING,C14,H59,,,,,32253,bmse010344,1
62,covalent,SING,C15,H60,,,,,32253,bmse010344,1
63,covalent,SING,C16,H61,,,,,32253,bmse010344,1
64,covalent,SING,C17,H62,,,,,32253,bmse010344,1
65,covalent,SING,C18,H63,,,,,32253,bmse010344,1
66,covalent,SING,C19,H64,,,,,32253,bmse010344,1
67,covalent,SING,C19,H65,,,,,32253,bmse010344,1
68,covalent,SING,C27,H66,,,,,32253,bmse010344,1
69,covalent,SING,C30,H67,,,,,32253,bmse010344,1
70,covalent,SING,O31,H68,,,,,32253,bmse010344,1
71,covalent,SING,O32,H69,,,,,32253,bmse010344,1
1,covalent,SING,C1,O35,,,,,32273,bmse010345,1
2,covalent,SING,C2,O36,,,,,32273,bmse010345,1
3,covalent,SING,C3,O37,,,,,32273,bmse010345,1
4,covalent,SING,C4,O38,,,,,32273,bmse010345,1
5,covalent,SING,C5,C12,,,,,32273,bmse010345,1
6,covalent,DOUB,C5,C21,,,,,32273,bmse010345,1
7,covalent,DOUB,C6,C13,,,,,32273,bmse010345,1
8,covalent,SING,C6,C21,,,,,32273,bmse010345,1
9,covalent,SING,C7,C14,,,,,32273,bmse010345,1
10,covalent,DOUB,C7,C22,,,,,32273,bmse010345,1
11,covalent,DOUB,C8,C15,,,,,32273,bmse010345,1
12,covalent,SING,C8,C22,,,,,32273,bmse010345,1
13,covalent,DOUB,C9,C17,,,,,32273,bmse010345,1
14,covalent,SING,C9,C21,,,,,32273,bmse010345,1
15,covalent,DOUB,C10,C18,,,,,32273,bmse010345,1
16,covalent,SING,C10,C22,,,,,32273,bmse010345,1
17,covalent,DOUB,C11,C16,,,,,32273,bmse010345,1
18,covalent,SING,C11,C23,,,,,32273,bmse010345,1
19,covalent,DOUB,C12,C24,,,,,32273,bmse010345,1
20,covalent,SING,C13,C24,,,,,32273,bmse010345,1
21,covalent,DOUB,C14,C25,,,,,32273,bmse010345,1
22,covalent,SING,C15,C25,,,,,32273,bmse010345,1
23,covalent,SING,C16,C26,,,,,32273,bmse010345,1
24,covalent,SING,C17,C29,,,,,32273,bmse010345,1
25,covalent,SING,C18,C30,,,,,32273,bmse010345,1
26,covalent,DOUB,C19,C23,,,,,32273,bmse010345,1
27,covalent,SING,C19,C27,,,,,32273,bmse010345,1
28,covalent,SING,C20,C28,,,,,32273,bmse010345,1
29,covalent,SING,C20,O32,,,,,32273,bmse010345,1
30,covalent,SING,C23,C31,,,,,32273,bmse010345,1
31,covalent,SING,C24,O39,,,,,32273,bmse010345,1
32,covalent,SING,C25,O40,,,,,32273,bmse010345,1
33,covalent,DOUB,C26,C27,,,,,32273,bmse010345,1
34,covalent,SING,C26,O35,,,,,32273,bmse010345,1
35,covalent,SING,C27,O36,,,,,32273,bmse010345,1
36,covalent,SING,C28,C31,,,,,32273,bmse010345,1
37,covalent,SING,C28,O39,,,,,32273,bmse010345,1
38,covalent,DOUB,C29,O33,,,,,32273,bmse010345,1
39,covalent,SING,C29,O37,,,,,32273,bmse010345,1
40,covalent,DOUB,C30,O34,,,,,32273,bmse010345,1
41,covalent,SING,C30,O38,,,,,32273,bmse010345,1
42,covalent,SING,C31,O40,,,,,32273,bmse010345,1
43,covalent,SING,C1,H43,,,,,32273,bmse010345,1
44,covalent,SING,C1,H42,,,,,32273,bmse010345,1
45,covalent,SING,C1,H41,,,,,32273,bmse010345,1
46,covalent,SING,C2,H46,,,,,32273,bmse010345,1
47,covalent,SING,C2,H44,,,,,32273,bmse010345,1
48,covalent,SING,C2,H45,,,,,32273,bmse010345,1
49,covalent,SING,C3,H49,,,,,32273,bmse010345,1
50,covalent,SING,C3,H47,,,,,32273,bmse010345,1
51,covalent,SING,C3,H48,,,,,32273,bmse010345,1
52,covalent,SING,C4,H51,,,,,32273,bmse010345,1
53,covalent,SING,C4,H52,,,,,32273,bmse010345,1
54,covalent,SING,C4,H50,,,,,32273,bmse010345,1
55,covalent,SING,C5,H53,,,,,32273,bmse010345,1
56,covalent,SING,C6,H54,,,,,32273,bmse010345,1
57,covalent,SING,C7,H55,,,,,32273,bmse010345,1
58,covalent,SING,C8,H56,,,,,32273,bmse010345,1
59,covalent,SING,C9,H57,,,,,32273,bmse010345,1
60,covalent,SING,C10,H58,,,,,32273,bmse010345,1
61,covalent,SING,C11,H59,,,,,32273,bmse010345,1
62,covalent,SING,C12,H60,,,,,32273,bmse010345,1
63,covalent,SING,C13,H61,,,,,32273,bmse010345,1
64,covalent,SING,C14,H62,,,,,32273,bmse010345,1
65,covalent,SING,C15,H63,,,,,32273,bmse010345,1
66,covalent,SING,C16,H64,,,,,32273,bmse010345,1
67,covalent,SING,C17,H65,,,,,32273,bmse010345,1
68,covalent,SING,C18,H66,,,,,32273,bmse010345,1
69,covalent,SING,C19,H67,,,,,32273,bmse010345,1
70,covalent,SING,C20,H68,,,,,32273,bmse010345,1
71,covalent,SING,C20,H69,,,,,32273,bmse010345,1
72,covalent,SING,C28,H70,,,,,32273,bmse010345,1
73,covalent,SING,C31,H71,,,,,32273,bmse010345,1
74,covalent,SING,O32,H72,,,,,32273,bmse010345,1
1,covalent,SING,C1,C22,,,,,32287,bmse010346,1
2,covalent,SING,C2,O37,,,,,32287,bmse010346,1
3,covalent,SING,C3,O38,,,,,32287,bmse010346,1
4,covalent,SING,C4,O39,,,,,32287,bmse010346,1
5,covalent,SING,C5,O40,,,,,32287,bmse010346,1
6,covalent,SING,C6,C13,,,,,32287,bmse010346,1
7,covalent,DOUB,C6,C23,,,,,32287,bmse010346,1
8,covalent,DOUB,C7,C14,,,,,32287,bmse010346,1
9,covalent,SING,C7,C23,,,,,32287,bmse010346,1
10,covalent,SING,C8,C15,,,,,32287,bmse010346,1
11,covalent,DOUB,C8,C24,,,,,32287,bmse010346,1
12,covalent,DOUB,C9,C16,,,,,32287,bmse010346,1
13,covalent,SING,C9,C24,,,,,32287,bmse010346,1
14,covalent,DOUB,C10,C18,,,,,32287,bmse010346,1
15,covalent,SING,C10,C23,,,,,32287,bmse010346,1
16,covalent,DOUB,C11,C19,,,,,32287,bmse010346,1
17,covalent,SING,C11,C24,,,,,32287,bmse010346,1
18,covalent,DOUB,C12,C17,,,,,32287,bmse010346,1
19,covalent,SING,C12,C25,,,,,32287,bmse010346,1
20,covalent,DOUB,C13,C26,,,,,32287,bmse010346,1
21,covalent,SING,C14,C26,,,,,32287,bmse010346,1
22,covalent,DOUB,C15,C27,,,,,32287,bmse010346,1
23,covalent,SING,C16,C27,,,,,32287,bmse010346,1
24,covalent,SING,C17,C28,,,,,32287,bmse010346,1
25,covalent,SING,C18,C31,,,,,32287,bmse010346,1
26,covalent,SING,C19,C32,,,,,32287,bmse010346,1
27,covalent,DOUB,C20,C25,,,,,32287,bmse010346,1
28,covalent,SING,C20,C29,,,,,32287,bmse010346,1
29,covalent,SING,C21,C30,,,,,32287,bmse010346,1
30,covalent,SING,C21,O41,,,,,32287,bmse010346,1
31,covalent,DOUB,C22,O34,,,,,32287,bmse010346,1
32,covalent,SING,C22,O41,,,,,32287,bmse010346,1
33,covalent,SING,C25,C33,,,,,32287,bmse010346,1
34,covalent,SING,C26,O42,,,,,32287,bmse010346,1
35,covalent,SING,C27,O43,,,,,32287,bmse010346,1
36,covalent,DOUB,C28,C29,,,,,32287,bmse010346,1
37,covalent,SING,C28,O37,,,,,32287,bmse010346,1
38,covalent,SING,C29,O38,,,,,32287,bmse010346,1
39,covalent,SING,C30,C33,,,,,32287,bmse010346,1
40,covalent,SING,C30,O42,,,,,32287,bmse010346,1
41,covalent,DOUB,C31,O35,,,,,32287,bmse010346,1
42,covalent,SING,C31,O39,,,,,32287,bmse010346,1
43,covalent,DOUB,C32,O36,,,,,32287,bmse010346,1
44,covalent,SING,C32,O40,,,,,32287,bmse010346,1
45,covalent,SING,C33,O43,,,,,32287,bmse010346,1
46,covalent,SING,C1,H46,,,,,32287,bmse010346,1
47,covalent,SING,C1,H45,,,,,32287,bmse010346,1
48,covalent,SING,C1,H44,,,,,32287,bmse010346,1
49,covalent,SING,C2,H49,,,,,32287,bmse010346,1
50,covalent,SING,C2,H48,,,,,32287,bmse010346,1
51,covalent,SING,C2,H47,,,,,32287,bmse010346,1
52,covalent,SING,C3,H52,,,,,32287,bmse010346,1
53,covalent,SING,C3,H50,,,,,32287,bmse010346,1
54,covalent,SING,C3,H51,,,,,32287,bmse010346,1
55,covalent,SING,C4,H55,,,,,32287,bmse010346,1
56,covalent,SING,C4,H53,,,,,32287,bmse010346,1
57,covalent,SING,C4,H54,,,,,32287,bmse010346,1
58,covalent,SING,C5,H57,,,,,32287,bmse010346,1
59,covalent,SING,C5,H58,,,,,32287,bmse010346,1
60,covalent,SING,C5,H56,,,,,32287,bmse010346,1
61,covalent,SING,C6,H59,,,,,32287,bmse010346,1
62,covalent,SING,C7,H60,,,,,32287,bmse010346,1
63,covalent,SING,C8,H61,,,,,32287,bmse010346,1
64,covalent,SING,C9,H62,,,,,32287,bmse010346,1
65,covalent,SING,C10,H63,,,,,32287,bmse010346,1
66,covalent,SING,C11,H64,,,,,32287,bmse010346,1
67,covalent,SING,C12,H65,,,,,32287,bmse010346,1
68,covalent,SING,C13,H66,,,,,32287,bmse010346,1
69,covalent,SING,C14,H67,,,,,32287,bmse010346,1
70,covalent,SING,C15,H68,,,,,32287,bmse010346,1
71,covalent,SING,C16,H69,,,,,32287,bmse010346,1
72,covalent,SING,C17,H70,,,,,32287,bmse010346,1
73,covalent,SING,C18,H71,,,,,32287,bmse010346,1
74,covalent,SING,C19,H72,,,,,32287,bmse010346,1
75,covalent,SING,C20,H73,,,,,32287,bmse010346,1
76,covalent,SING,C21,H74,,,,,32287,bmse010346,1
77,covalent,SING,C21,H75,,,,,32287,bmse010346,1
78,covalent,SING,C30,H76,,,,,32287,bmse010346,1
79,covalent,SING,C33,H77,,,,,32287,bmse010346,1
1,covalent,SING,C1,O36,,,,,32301,bmse010347,1
2,covalent,SING,C2,O37,,,,,32301,bmse010347,1
3,covalent,SING,C3,O38,,,,,32301,bmse010347,1
4,covalent,SING,C4,O39,,,,,32301,bmse010347,1
5,covalent,SING,C5,C11,,,,,32301,bmse010347,1
6,covalent,DOUB,C5,C20,,,,,32301,bmse010347,1
7,covalent,DOUB,C6,C12,,,,,32301,bmse010347,1
8,covalent,SING,C6,C20,,,,,32301,bmse010347,1
9,covalent,DOUB,C7,C14,,,,,32301,bmse010347,1
10,covalent,SING,C7,C21,,,,,32301,bmse010347,1
11,covalent,DOUB,C8,C15,,,,,32301,bmse010347,1
12,covalent,SING,C8,C20,,,,,32301,bmse010347,1
13,covalent,DOUB,C9,C16,,,,,32301,bmse010347,1
14,covalent,SING,C9,C21,,,,,32301,bmse010347,1
15,covalent,DOUB,C10,C13,,,,,32301,bmse010347,1
16,covalent,SING,C10,C22,,,,,32301,bmse010347,1
17,covalent,DOUB,C11,C23,,,,,32301,bmse010347,1
18,covalent,SING,C12,C23,,,,,32301,bmse010347,1
19,covalent,SING,C13,C24,,,,,32301,bmse010347,1
20,covalent,SING,C14,C25,,,,,32301,bmse010347,1
21,covalent,SING,C15,C29,,,,,32301,bmse010347,1
22,covalent,SING,C16,C30,,,,,32301,bmse010347,1
23,covalent,DOUB,C17,C21,,,,,32301,bmse010347,1
24,covalent,SING,C17,C27,,,,,32301,bmse010347,1
25,covalent,DOUB,C18,C22,,,,,32301,bmse010347,1
26,covalent,SING,C18,C26,,,,,32301,bmse010347,1
27,covalent,SING,C19,C28,,,,,32301,bmse010347,1
28,covalent,SING,C19,O32,,,,,32301,bmse010347,1
29,covalent,SING,C22,C31,,,,,32301,bmse010347,1
30,covalent,SING,C23,O40,,,,,32301,bmse010347,1
31,covalent,DOUB,C24,C26,,,,,32301,bmse010347,1
32,covalent,SING,C24,O33,,,,,32301,bmse010347,1
33,covalent,DOUB,C25,C27,,,,,32301,bmse010347,1
34,covalent,SING,C25,O41,,,,,32301,bmse010347,1
35,covalent,SING,C26,O36,,,,,32301,bmse010347,1
36,covalent,SING,C27,O37,,,,,32301,bmse010347,1
37,covalent,SING,C28,C31,,,,,32301,bmse010347,1
38,covalent,SING,C28,O41,,,,,32301,bmse010347,1
39,covalent,DOUB,C29,O34,,,,,32301,bmse010347,1
40,covalent,SING,C29,O38,,,,,32301,bmse010347,1
41,covalent,DOUB,C30,O35,,,,,32301,bmse010347,1
42,covalent,SING,C30,O39,,,,,32301,bmse010347,1
43,covalent,SING,C31,O40,,,,,32301,bmse010347,1
44,covalent,SING,C1,H44,,,,,32301,bmse010347,1
45,covalent,SING,C1,H42,,,,,32301,bmse010347,1
46,covalent,SING,C1,H43,,,,,32301,bmse010347,1
47,covalent,SING,C2,H46,,,,,32301,bmse010347,1
48,covalent,SING,C2,H45,,,,,32301,bmse010347,1
49,covalent,SING,C2,H47,,,,,32301,bmse010347,1
50,covalent,SING,C3,H49,,,,,32301,bmse010347,1
51,covalent,SING,C3,H48,,,,,32301,bmse010347,1
52,covalent,SING,C3,H50,,,,,32301,bmse010347,1
53,covalent,SING,C4,H51,,,,,32301,bmse010347,1
54,covalent,SING,C4,H53,,,,,32301,bmse010347,1
55,covalent,SING,C4,H52,,,,,32301,bmse010347,1
56,covalent,SING,C5,H54,,,,,32301,bmse010347,1
57,covalent,SING,C6,H55,,,,,32301,bmse010347,1
58,covalent,SING,C7,H56,,,,,32301,bmse010347,1
59,covalent,SING,C8,H57,,,,,32301,bmse010347,1
60,covalent,SING,C9,H58,,,,,32301,bmse010347,1
61,covalent,SING,C10,H59,,,,,32301,bmse010347,1
62,covalent,SING,C11,H60,,,,,32301,bmse010347,1
63,covalent,SING,C12,H61,,,,,32301,bmse010347,1
64,covalent,SING,C13,H62,,,,,32301,bmse010347,1
65,covalent,SING,C14,H63,,,,,32301,bmse010347,1
66,covalent,SING,C15,H64,,,,,32301,bmse010347,1
67,covalent,SING,C16,H65,,,,,32301,bmse010347,1
68,covalent,SING,C17,H66,,,,,32301,bmse010347,1
69,covalent,SING,C18,H67,,,,,32301,bmse010347,1
70,covalent,SING,C19,H68,,,,,32301,bmse010347,1
71,covalent,SING,C19,H69,,,,,32301,bmse010347,1
72,covalent,SING,C28,H70,,,,,32301,bmse010347,1
73,covalent,SING,C31,H71,,,,,32301,bmse010347,1
74,covalent,SING,O32,H72,,,,,32301,bmse010347,1
75,covalent,SING,O33,H73,,,,,32301,bmse010347,1
1,covalent,SING,C1,O36,,,,,32321,bmse010348,1
2,covalent,SING,C2,O37,,,,,32321,bmse010348,1
3,covalent,SING,C3,O38,,,,,32321,bmse010348,1
4,covalent,SING,C4,O39,,,,,32321,bmse010348,1
5,covalent,SING,C5,O40,,,,,32321,bmse010348,1
6,covalent,SING,C6,C12,,,,,32321,bmse010348,1
7,covalent,DOUB,C6,C21,,,,,32321,bmse010348,1
8,covalent,DOUB,C7,C13,,,,,32321,bmse010348,1
9,covalent,SING,C7,C21,,,,,32321,bmse010348,1
10,covalent,DOUB,C8,C14,,,,,32321,bmse010348,1
11,covalent,SING,C8,C22,,,,,32321,bmse010348,1
12,covalent,DOUB,C9,C16,,,,,32321,bmse010348,1
13,covalent,SING,C9,C21,,,,,32321,bmse010348,1
14,covalent,DOUB,C10,C17,,,,,32321,bmse010348,1
15,covalent,SING,C10,C22,,,,,32321,bmse010348,1
16,covalent,DOUB,C11,C15,,,,,32321,bmse010348,1
17,covalent,SING,C11,C23,,,,,32321,bmse010348,1
18,covalent,DOUB,C12,C24,,,,,32321,bmse010348,1
19,covalent,SING,C13,C24,,,,,32321,bmse010348,1
20,covalent,SING,C14,C26,,,,,32321,bmse010348,1
21,covalent,SING,C15,C25,,,,,32321,bmse010348,1
22,covalent,SING,C16,C30,,,,,32321,bmse010348,1
23,covalent,SING,C17,C31,,,,,32321,bmse010348,1
24,covalent,DOUB,C18,C22,,,,,32321,bmse010348,1
25,covalent,SING,C18,C27,,,,,32321,bmse010348,1
26,covalent,DOUB,C19,C23,,,,,32321,bmse010348,1
27,covalent,SING,C19,C28,,,,,32321,bmse010348,1
28,covalent,SING,C20,C29,,,,,32321,bmse010348,1
29,covalent,SING,C20,O33,,,,,32321,bmse010348,1
30,covalent,SING,C23,C32,,,,,32321,bmse010348,1
31,covalent,SING,C24,O41,,,,,32321,bmse010348,1
32,covalent,DOUB,C25,C28,,,,,32321,bmse010348,1
33,covalent,SING,C25,O36,,,,,32321,bmse010348,1
34,covalent,DOUB,C26,C27,,,,,32321,bmse010348,1
35,covalent,SING,C26,O42,,,,,32321,bmse010348,1
36,covalent,SING,C27,O37,,,,,32321,bmse010348,1
37,covalent,SING,C28,O38,,,,,32321,bmse010348,1
38,covalent,SING,C29,C32,,,,,32321,bmse010348,1
39,covalent,SING,C29,O42,,,,,32321,bmse010348,1
40,covalent,DOUB,C30,O34,,,,,32321,bmse010348,1
41,covalent,SING,C30,O39,,,,,32321,bmse010348,1
42,covalent,DOUB,C31,O35,,,,,32321,bmse010348,1
43,covalent,SING,C31,O40,,,,,32321,bmse010348,1
44,covalent,SING,C32,O41,,,,,32321,bmse010348,1
45,covalent,SING,C1,H45,,,,,32321,bmse010348,1
46,covalent,SING,C1,H43,,,,,32321,bmse010348,1
47,covalent,SING,C1,H44,,,,,32321,bmse010348,1
48,covalent,SING,C2,H47,,,,,32321,bmse010348,1
49,covalent,SING,C2,H46,,,,,32321,bmse010348,1
50,covalent,SING,C2,H48,,,,,32321,bmse010348,1
51,covalent,SING,C3,H49,,,,,32321,bmse010348,1
52,covalent,SING,C3,H51,,,,,32321,bmse010348,1
53,covalent,SING,C3,H50,,,,,32321,bmse010348,1
54,covalent,SING,C4,H53,,,,,32321,bmse010348,1
55,covalent,SING,C4,H52,,,,,32321,bmse010348,1
56,covalent,SING,C4,H54,,,,,32321,bmse010348,1
57,covalent,SING,C5,H55,,,,,32321,bmse010348,1
58,covalent,SING,C5,H57,,,,,32321,bmse010348,1
59,covalent,SING,C5,H56,,,,,32321,bmse010348,1
60,covalent,SING,C6,H58,,,,,32321,bmse010348,1
61,covalent,SING,C7,H59,,,,,32321,bmse010348,1
62,covalent,SING,C8,H60,,,,,32321,bmse010348,1
63,covalent,SING,C9,H61,,,,,32321,bmse010348,1
64,covalent,SING,C10,H62,,,,,32321,bmse010348,1
65,covalent,SING,C11,H63,,,,,32321,bmse010348,1
66,covalent,SING,C12,H64,,,,,32321,bmse010348,1
67,covalent,SING,C13,H65,,,,,32321,bmse010348,1
68,covalent,SING,C14,H66,,,,,32321,bmse010348,1
69,covalent,SING,C15,H67,,,,,32321,bmse010348,1
70,covalent,SING,C16,H68,,,,,32321,bmse010348,1
71,covalent,SING,C17,H69,,,,,32321,bmse010348,1
72,covalent,SING,C18,H70,,,,,32321,bmse010348,1
73,covalent,SING,C19,H71,,,,,32321,bmse010348,1
74,covalent,SING,C20,H72,,,,,32321,bmse010348,1
75,covalent,SING,C20,H73,,,,,32321,bmse010348,1
76,covalent,SING,C29,H74,,,,,32321,bmse010348,1
77,covalent,SING,C32,H75,,,,,32321,bmse010348,1
78,covalent,SING,O33,H76,,,,,32321,bmse010348,1
1,covalent,SING,C1,C4,,,,,32335,bmse010349,1
2,covalent,SING,C2,O23,,,,,32335,bmse010349,1
3,covalent,SING,C3,O24,,,,,32335,bmse010349,1
4,covalent,SING,C4,C5,,,,,32335,bmse010349,1
5,covalent,SING,C5,C14,,,,,32335,bmse010349,1
6,covalent,DOUB,C6,C8,,,,,32335,bmse010349,1
7,covalent,SING,C6,C15,,,,,32335,bmse010349,1
8,covalent,DOUB,C7,C9,,,,,32335,bmse010349,1
9,covalent,SING,C7,C14,,,,,32335,bmse010349,1
10,covalent,SING,C8,C17,,,,,32335,bmse010349,1
11,covalent,SING,C9,C18,,,,,32335,bmse010349,1
12,covalent,SING,C10,C15,,,,,32335,bmse010349,1
13,covalent,SING,C10,C16,,,,,32335,bmse010349,1
14,covalent,DOUB,C11,C14,,,,,32335,bmse010349,1
15,covalent,SING,C11,C20,,,,,32335,bmse010349,1
16,covalent,DOUB,C12,C15,,,,,32335,bmse010349,1
17,covalent,SING,C12,C19,,,,,32335,bmse010349,1
18,covalent,SING,C13,C16,,,,,32335,bmse010349,1
19,covalent,SING,C13,O21,,,,,32335,bmse010349,1
20,covalent,SING,C16,O25,,,,,32335,bmse010349,1
21,covalent,DOUB,C17,C19,,,,,32335,bmse010349,1
22,covalent,SING,C17,O22,,,,,32335,bmse010349,1
23,covalent,DOUB,C18,C20,,,,,32335,bmse010349,1
24,covalent,SING,C18,O25,,,,,32335,bmse010349,1
25,covalent,SING,C19,O23,,,,,32335,bmse010349,1
26,covalent,SING,C20,O24,,,,,32335,bmse010349,1
27,covalent,SING,C1,H26,,,,,32335,bmse010349,1
28,covalent,SING,C1,H27,,,,,32335,bmse010349,1
29,covalent,SING,C1,H28,,,,,32335,bmse010349,1
30,covalent,SING,C2,H29,,,,,32335,bmse010349,1
31,covalent,SING,C2,H30,,,,,32335,bmse010349,1
32,covalent,SING,C2,H31,,,,,32335,bmse010349,1
33,covalent,SING,C3,H32,,,,,32335,bmse010349,1
34,covalent,SING,C3,H33,,,,,32335,bmse010349,1
35,covalent,SING,C3,H34,,,,,32335,bmse010349,1
36,covalent,SING,C4,H35,,,,,32335,bmse010349,1
37,covalent,SING,C4,H36,,,,,32335,bmse010349,1
38,covalent,SING,C5,H37,,,,,32335,bmse010349,1
39,covalent,SING,C5,H38,,,,,32335,bmse010349,1
40,covalent,SING,C6,H39,,,,,32335,bmse010349,1
41,covalent,SING,C7,H40,,,,,32335,bmse010349,1
42,covalent,SING,C8,H41,,,,,32335,bmse010349,1
43,covalent,SING,C9,H42,,,,,32335,bmse010349,1
44,covalent,SING,C10,H43,,,,,32335,bmse010349,1
45,covalent,SING,C10,H44,,,,,32335,bmse010349,1
46,covalent,SING,C11,H45,,,,,32335,bmse010349,1
47,covalent,SING,C12,H46,,,,,32335,bmse010349,1
48,covalent,SING,C13,H47,,,,,32335,bmse010349,1
49,covalent,SING,C13,H48,,,,,32335,bmse010349,1
50,covalent,SING,C16,H49,,,,,32335,bmse010349,1
51,covalent,SING,O21,H50,,,,,32335,bmse010349,1
52,covalent,SING,O22,H51,,,,,32335,bmse010349,1
1,covalent,SING,C1,C5,,,,,32355,bmse010350,1
2,covalent,SING,C2,O24,,,,,32355,bmse010350,1
3,covalent,SING,C3,O25,,,,,32355,bmse010350,1
4,covalent,SING,C4,O26,,,,,32355,bmse010350,1
5,covalent,SING,C5,C6,,,,,32355,bmse010350,1
6,covalent,SING,C6,C14,,,,,32355,bmse010350,1
7,covalent,DOUB,C7,C8,,,,,32355,bmse010350,1
8,covalent,SING,C7,C15,,,,,32355,bmse010350,1
9,covalent,SING,C8,C17,,,,,32355,bmse010350,1
10,covalent,SING,C9,C15,,,,,32355,bmse010350,1
11,covalent,SING,C9,C16,,,,,32355,bmse010350,1
12,covalent,DOUB,C10,C15,,,,,32355,bmse010350,1
13,covalent,SING,C10,C18,,,,,32355,bmse010350,1
14,covalent,DOUB,C11,C14,,,,,32355,bmse010350,1
15,covalent,SING,C11,C19,,,,,32355,bmse010350,1
16,covalent,SING,C12,C14,,,,,32355,bmse010350,1
17,covalent,DOUB,C12,C20,,,,,32355,bmse010350,1
18,covalent,SING,C13,C16,,,,,32355,bmse010350,1
19,covalent,SING,C13,O22,,,,,32355,bmse010350,1
20,covalent,SING,C16,O27,,,,,32355,bmse010350,1
21,covalent,DOUB,C17,C18,,,,,32355,bmse010350,1
22,covalent,SING,C17,O23,,,,,32355,bmse010350,1
23,covalent,SING,C18,O24,,,,,32355,bmse010350,1
24,covalent,DOUB,C19,C21,,,,,32355,bmse010350,1
25,covalent,SING,C19,O25,,,,,32355,bmse010350,1
26,covalent,SING,C20,C21,,,,,32355,bmse010350,1
27,covalent,SING,C20,O26,,,,,32355,bmse010350,1
28,covalent,SING,C21,O27,,,,,32355,bmse010350,1
29,covalent,SING,C1,H28,,,,,32355,bmse010350,1
30,covalent,SING,C1,H29,,,,,32355,bmse010350,1
31,covalent,SING,C1,H30,,,,,32355,bmse010350,1
32,covalent,SING,C2,H31,,,,,32355,bmse010350,1
33,covalent,SING,C2,H32,,,,,32355,bmse010350,1
34,covalent,SING,C2,H33,,,,,32355,bmse010350,1
35,covalent,SING,C3,H34,,,,,32355,bmse010350,1
36,covalent,SING,C3,H35,,,,,32355,bmse010350,1
37,covalent,SING,C3,H36,,,,,32355,bmse010350,1
38,covalent,SING,C4,H39,,,,,32355,bmse010350,1
39,covalent,SING,C4,H37,,,,,32355,bmse010350,1
40,covalent,SING,C4,H38,,,,,32355,bmse010350,1
41,covalent,SING,C5,H40,,,,,32355,bmse010350,1
42,covalent,SING,C5,H41,,,,,32355,bmse010350,1
43,covalent,SING,C6,H42,,,,,32355,bmse010350,1
44,covalent,SING,C6,H43,,,,,32355,bmse010350,1
45,covalent,SING,C7,H44,,,,,32355,bmse010350,1
46,covalent,SING,C8,H45,,,,,32355,bmse010350,1
47,covalent,SING,C9,H46,,,,,32355,bmse010350,1
48,covalent,SING,C9,H47,,,,,32355,bmse010350,1
49,covalent,SING,C10,H48,,,,,32355,bmse010350,1
50,covalent,SING,C11,H49,,,,,32355,bmse010350,1
51,covalent,SING,C12,H50,,,,,32355,bmse010350,1
52,covalent,SING,C13,H51,,,,,32355,bmse010350,1
53,covalent,SING,C13,H52,,,,,32355,bmse010350,1
54,covalent,SING,C16,H53,,,,,32355,bmse010350,1
55,covalent,SING,O22,H54,,,,,32355,bmse010350,1
56,covalent,SING,O23,H55,,,,,32355,bmse010350,1
1,covalent,SING,C1,C5,,,,,32375,bmse010351,1
2,covalent,SING,C2,O24,,,,,32375,bmse010351,1
3,covalent,SING,C3,O25,,,,,32375,bmse010351,1
4,covalent,SING,C4,O26,,,,,32375,bmse010351,1
5,covalent,SING,C5,C6,,,,,32375,bmse010351,1
6,covalent,SING,C6,C14,,,,,32375,bmse010351,1
7,covalent,DOUB,C7,C8,,,,,32375,bmse010351,1
8,covalent,SING,C7,C14,,,,,32375,bmse010351,1
9,covalent,SING,C8,C17,,,,,32375,bmse010351,1
10,covalent,SING,C9,C15,,,,,32375,bmse010351,1
11,covalent,SING,C9,C16,,,,,32375,bmse010351,1
12,covalent,DOUB,C10,C14,,,,,32375,bmse010351,1
13,covalent,SING,C10,C18,,,,,32375,bmse010351,1
14,covalent,DOUB,C11,C15,,,,,32375,bmse010351,1
15,covalent,SING,C11,C19,,,,,32375,bmse010351,1
16,covalent,SING,C12,C15,,,,,32375,bmse010351,1
17,covalent,DOUB,C12,C20,,,,,32375,bmse010351,1
18,covalent,SING,C13,C16,,,,,32375,bmse010351,1
19,covalent,SING,C13,O22,,,,,32375,bmse010351,1
20,covalent,SING,C16,O27,,,,,32375,bmse010351,1
21,covalent,DOUB,C17,C18,,,,,32375,bmse010351,1
22,covalent,SING,C17,O27,,,,,32375,bmse010351,1
23,covalent,SING,C18,O24,,,,,32375,bmse010351,1
24,covalent,DOUB,C19,C21,,,,,32375,bmse010351,1
25,covalent,SING,C19,O25,,,,,32375,bmse010351,1
26,covalent,SING,C20,C21,,,,,32375,bmse010351,1
27,covalent,SING,C20,O26,,,,,32375,bmse010351,1
28,covalent,SING,C21,O23,,,,,32375,bmse010351,1
29,covalent,SING,C1,H30,,,,,32375,bmse010351,1
30,covalent,SING,C1,H28,,,,,32375,bmse010351,1
31,covalent,SING,C1,H29,,,,,32375,bmse010351,1
32,covalent,SING,C2,H32,,,,,32375,bmse010351,1
33,covalent,SING,C2,H31,,,,,32375,bmse010351,1
34,covalent,SING,C2,H33,,,,,32375,bmse010351,1
35,covalent,SING,C3,H36,,,,,32375,bmse010351,1
36,covalent,SING,C3,H35,,,,,32375,bmse010351,1
37,covalent,SING,C3,H34,,,,,32375,bmse010351,1
38,covalent,SING,C4,H37,,,,,32375,bmse010351,1
39,covalent,SING,C4,H38,,,,,32375,bmse010351,1
40,covalent,SING,C4,H39,,,,,32375,bmse010351,1
41,covalent,SING,C5,H40,,,,,32375,bmse010351,1
42,covalent,SING,C5,H41,,,,,32375,bmse010351,1
43,covalent,SING,C6,H42,,,,,32375,bmse010351,1
44,covalent,SING,C6,H43,,,,,32375,bmse010351,1
45,covalent,SING,C7,H44,,,,,32375,bmse010351,1
46,covalent,SING,C8,H45,,,,,32375,bmse010351,1
47,covalent,SING,C9,H46,,,,,32375,bmse010351,1
48,covalent,SING,C9,H47,,,,,32375,bmse010351,1
49,covalent,SING,C10,H48,,,,,32375,bmse010351,1
50,covalent,SING,C11,H49,,,,,32375,bmse010351,1
51,covalent,SING,C12,H50,,,,,32375,bmse010351,1
52,covalent,SING,C13,H51,,,,,32375,bmse010351,1
53,covalent,SING,C13,H52,,,,,32375,bmse010351,1
54,covalent,SING,C16,H53,,,,,32375,bmse010351,1
55,covalent,SING,O22,H54,,,,,32375,bmse010351,1
56,covalent,SING,O23,H55,,,,,32375,bmse010351,1
1,covalent,SING,C1,C6,,,,,32395,bmse010352,1
2,covalent,SING,C2,O25,,,,,32395,bmse010352,1
3,covalent,SING,C3,O26,,,,,32395,bmse010352,1
4,covalent,SING,C4,O27,,,,,32395,bmse010352,1
5,covalent,SING,C5,O28,,,,,32395,bmse010352,1
6,covalent,SING,C6,C7,,,,,32395,bmse010352,1
7,covalent,SING,C7,C14,,,,,32395,bmse010352,1
8,covalent,SING,C8,C15,,,,,32395,bmse010352,1
9,covalent,SING,C8,C16,,,,,32395,bmse010352,1
10,covalent,DOUB,C9,C14,,,,,32395,bmse010352,1
11,covalent,SING,C9,C19,,,,,32395,bmse010352,1
12,covalent,SING,C10,C14,,,,,32395,bmse010352,1
13,covalent,DOUB,C10,C20,,,,,32395,bmse010352,1
14,covalent,DOUB,C11,C15,,,,,32395,bmse010352,1
15,covalent,SING,C11,C17,,,,,32395,bmse010352,1
16,covalent,SING,C12,C15,,,,,32395,bmse010352,1
17,covalent,DOUB,C12,C18,,,,,32395,bmse010352,1
18,covalent,SING,C13,C16,,,,,32395,bmse010352,1
19,covalent,SING,C13,O23,,,,,32395,bmse010352,1
20,covalent,SING,C16,O29,,,,,32395,bmse010352,1
21,covalent,DOUB,C17,C21,,,,,32395,bmse010352,1
22,covalent,SING,C17,O25,,,,,32395,bmse010352,1
23,covalent,SING,C18,C21,,,,,32395,bmse010352,1
24,covalent,SING,C18,O26,,,,,32395,bmse010352,1
25,covalent,DOUB,C19,C22,,,,,32395,bmse010352,1
26,covalent,SING,C19,O27,,,,,32395,bmse010352,1
27,covalent,SING,C20,C22,,,,,32395,bmse010352,1
28,covalent,SING,C20,O28,,,,,32395,bmse010352,1
29,covalent,SING,C21,O24,,,,,32395,bmse010352,1
30,covalent,SING,C22,O29,,,,,32395,bmse010352,1
31,covalent,SING,C1,H31,,,,,32395,bmse010352,1
32,covalent,SING,C1,H30,,,,,32395,bmse010352,1
33,covalent,SING,C1,H32,,,,,32395,bmse010352,1
34,covalent,SING,C2,H33,,,,,32395,bmse010352,1
35,covalent,SING,C2,H35,,,,,32395,bmse010352,1
36,covalent,SING,C2,H34,,,,,32395,bmse010352,1
37,covalent,SING,C3,H36,,,,,32395,bmse010352,1
38,covalent,SING,C3,H37,,,,,32395,bmse010352,1
39,covalent,SING,C3,H38,,,,,32395,bmse010352,1
40,covalent,SING,C4,H39,,,,,32395,bmse010352,1
41,covalent,SING,C4,H41,,,,,32395,bmse010352,1
42,covalent,SING,C4,H40,,,,,32395,bmse010352,1
43,covalent,SING,C5,H43,,,,,32395,bmse010352,1
44,covalent,SING,C5,H42,,,,,32395,bmse010352,1
45,covalent,SING,C5,H44,,,,,32395,bmse010352,1
46,covalent,SING,C6,H45,,,,,32395,bmse010352,1
47,covalent,SING,C6,H46,,,,,32395,bmse010352,1
48,covalent,SING,C7,H47,,,,,32395,bmse010352,1
49,covalent,SING,C7,H48,,,,,32395,bmse010352,1
50,covalent,SING,C8,H49,,,,,32395,bmse010352,1
51,covalent,SING,C8,H50,,,,,32395,bmse010352,1
52,covalent,SING,C9,H51,,,,,32395,bmse010352,1
53,covalent,SING,C10,H52,,,,,32395,bmse010352,1
54,covalent,SING,C11,H53,,,,,32395,bmse010352,1
55,covalent,SING,C12,H54,,,,,32395,bmse010352,1
56,covalent,SING,C13,H55,,,,,32395,bmse010352,1
57,covalent,SING,C13,H56,,,,,32395,bmse010352,1
58,covalent,SING,C16,H57,,,,,32395,bmse010352,1
59,covalent,SING,O23,H58,,,,,32395,bmse010352,1
60,covalent,SING,O24,H59,,,,,32395,bmse010352,1
1,covalent,SING,C1,O24,,,,,32415,bmse010353,1
2,covalent,SING,C2,O25,,,,,32415,bmse010353,1
3,covalent,DOUB,C3,C4,,,,,32415,bmse010353,1
4,covalent,SING,C3,C9,,,,,32415,bmse010353,1
5,covalent,SING,C4,C14,,,,,32415,bmse010353,1
6,covalent,DOUB,C5,C7,,,,,32415,bmse010353,1
7,covalent,SING,C5,C15,,,,,32415,bmse010353,1
8,covalent,DOUB,C6,C8,,,,,32415,bmse010353,1
9,covalent,SING,C6,C14,,,,,32415,bmse010353,1
10,covalent,SING,C7,C17,,,,,32415,bmse010353,1
11,covalent,SING,C8,C18,,,,,32415,bmse010353,1
12,covalent,DOUB,C9,O21,,,,,32415,bmse010353,1
13,covalent,SING,C10,C15,,,,,32415,bmse010353,1
14,covalent,DOUB,C10,C16,,,,,32415,bmse010353,1
15,covalent,DOUB,C11,C14,,,,,32415,bmse010353,1
16,covalent,SING,C11,C20,,,,,32415,bmse010353,1
17,covalent,DOUB,C12,C15,,,,,32415,bmse010353,1
18,covalent,SING,C12,C19,,,,,32415,bmse010353,1
19,covalent,SING,C13,C16,,,,,32415,bmse010353,1
20,covalent,DOUB,C13,O22,,,,,32415,bmse010353,1
21,covalent,SING,C16,O26,,,,,32415,bmse010353,1
22,covalent,DOUB,C17,C19,,,,,32415,bmse010353,1
23,covalent,SING,C17,O23,,,,,32415,bmse010353,1
24,covalent,DOUB,C18,C20,,,,,32415,bmse010353,1
25,covalent,SING,C18,O26,,,,,32415,bmse010353,1
26,covalent,SING,C19,O24,,,,,32415,bmse010353,1
27,covalent,SING,C20,O25,,,,,32415,bmse010353,1
28,covalent,SING,C1,H28,,,,,32415,bmse010353,1
29,covalent,SING,C1,H27,,,,,32415,bmse010353,1
30,covalent,SING,C1,H29,,,,,32415,bmse010353,1
31,covalent,SING,C2,H31,,,,,32415,bmse010353,1
32,covalent,SING,C2,H32,,,,,32415,bmse010353,1
33,covalent,SING,C2,H30,,,,,32415,bmse010353,1
34,covalent,SING,C3,H33,,,,,32415,bmse010353,1
35,covalent,SING,C4,H34,,,,,32415,bmse010353,1
36,covalent,SING,C5,H35,,,,,32415,bmse010353,1
37,covalent,SING,C6,H36,,,,,32415,bmse010353,1
38,covalent,SING,C7,H37,,,,,32415,bmse010353,1
39,covalent,SING,C8,H38,,,,,32415,bmse010353,1
40,covalent,SING,C9,H39,,,,,32415,bmse010353,1
41,covalent,SING,C10,H40,,,,,32415,bmse010353,1
42,covalent,SING,C11,H41,,,,,32415,bmse010353,1
43,covalent,SING,C12,H42,,,,,32415,bmse010353,1
44,covalent,SING,C13,H43,,,,,32415,bmse010353,1
45,covalent,SING,O23,H44,,,,,32415,bmse010353,1
1,covalent,SING,C1,O25,,,,,32429,bmse010354,1
2,covalent,SING,C2,O26,,,,,32429,bmse010354,1
3,covalent,DOUB,C3,C5,,,,,32429,bmse010354,1
4,covalent,SING,C3,C7,,,,,32429,bmse010354,1
5,covalent,DOUB,C4,C6,,,,,32429,bmse010354,1
6,covalent,SING,C4,C8,,,,,32429,bmse010354,1
7,covalent,SING,C5,C13,,,,,32429,bmse010354,1
8,covalent,SING,C6,C14,,,,,32429,bmse010354,1
9,covalent,DOUB,C7,O21,,,,,32429,bmse010354,1
10,covalent,DOUB,C8,O22,,,,,32429,bmse010354,1
11,covalent,DOUB,C9,C13,,,,,32429,bmse010354,1
12,covalent,SING,C9,C15,,,,,32429,bmse010354,1
13,covalent,DOUB,C10,C14,,,,,32429,bmse010354,1
14,covalent,SING,C10,C16,,,,,32429,bmse010354,1
15,covalent,SING,C11,C13,,,,,32429,bmse010354,1
16,covalent,DOUB,C11,C17,,,,,32429,bmse010354,1
17,covalent,SING,C12,C14,,,,,32429,bmse010354,1
18,covalent,DOUB,C12,C18,,,,,32429,bmse010354,1
19,covalent,SING,C15,C16,,,,,32429,bmse010354,1
20,covalent,DOUB,C15,C19,,,,,32429,bmse010354,1
21,covalent,DOUB,C16,C20,,,,,32429,bmse010354,1
22,covalent,SING,C17,C19,,,,,32429,bmse010354,1
23,covalent,SING,C17,O25,,,,,32429,bmse010354,1
24,covalent,SING,C18,C20,,,,,32429,bmse010354,1
25,covalent,SING,C18,O26,,,,,32429,bmse010354,1
26,covalent,SING,C19,O23,,,,,32429,bmse010354,1
27,covalent,SING,C20,O24,,,,,32429,bmse010354,1
28,covalent,SING,C1,H27,,,,,32429,bmse010354,1
29,covalent,SING,C1,H28,,,,,32429,bmse010354,1
30,covalent,SING,C1,H29,,,,,32429,bmse010354,1
31,covalent,SING,C2,H32,,,,,32429,bmse010354,1
32,covalent,SING,C2,H31,,,,,32429,bmse010354,1
33,covalent,SING,C2,H30,,,,,32429,bmse010354,1
34,covalent,SING,C3,H33,,,,,32429,bmse010354,1
35,covalent,SING,C4,H34,,,,,32429,bmse010354,1
36,covalent,SING,C5,H35,,,,,32429,bmse010354,1
37,covalent,SING,C6,H36,,,,,32429,bmse010354,1
38,covalent,SING,C7,H37,,,,,32429,bmse010354,1
39,covalent,SING,C8,H38,,,,,32429,bmse010354,1
40,covalent,SING,C9,H39,,,,,32429,bmse010354,1
41,covalent,SING,C10,H40,,,,,32429,bmse010354,1
42,covalent,SING,C11,H41,,,,,32429,bmse010354,1
43,covalent,SING,C12,H42,,,,,32429,bmse010354,1
44,covalent,SING,O23,H43,,,,,32429,bmse010354,1
45,covalent,SING,O24,H44,,,,,32429,bmse010354,1
1,covalent,SING,C1,O20,,,,,32443,bmse010355,1
2,covalent,SING,C2,O21,,,,,32443,bmse010355,1
3,covalent,DOUB,C3,C4,,,,,32443,bmse010355,1
4,covalent,SING,C3,C5,,,,,32443,bmse010355,1
5,covalent,SING,C4,C6,,,,,32443,bmse010355,1
6,covalent,DOUB,C5,C15,,,,,32443,bmse010355,1
7,covalent,DOUB,C6,C16,,,,,32443,bmse010355,1
8,covalent,DOUB,C7,C8,,,,,32443,bmse010355,1
9,covalent,SING,C7,C12,,,,,32443,bmse010355,1
10,covalent,SING,C8,C14,,,,,32443,bmse010355,1
11,covalent,SING,C9,C12,,,,,32443,bmse010355,1
12,covalent,DOUB,C9,C13,,,,,32443,bmse010355,1
13,covalent,DOUB,C10,C12,,,,,32443,bmse010355,1
14,covalent,SING,C10,C17,,,,,32443,bmse010355,1
15,covalent,SING,C11,C13,,,,,32443,bmse010355,1
16,covalent,DOUB,C11,O18,,,,,32443,bmse010355,1
17,covalent,SING,C13,O22,,,,,32443,bmse010355,1
18,covalent,DOUB,C14,C17,,,,,32443,bmse010355,1
19,covalent,SING,C14,O19,,,,,32443,bmse010355,1
20,covalent,SING,C15,C16,,,,,32443,bmse010355,1
21,covalent,SING,C15,O20,,,,,32443,bmse010355,1
22,covalent,SING,C16,O22,,,,,32443,bmse010355,1
23,covalent,SING,C17,O21,,,,,32443,bmse010355,1
24,covalent,SING,C1,H24,,,,,32443,bmse010355,1
25,covalent,SING,C1,H23,,,,,32443,bmse010355,1
26,covalent,SING,C1,H25,,,,,32443,bmse010355,1
27,covalent,SING,C2,H28,,,,,32443,bmse010355,1
28,covalent,SING,C2,H27,,,,,32443,bmse010355,1
29,covalent,SING,C2,H26,,,,,32443,bmse010355,1
30,covalent,SING,C3,H29,,,,,32443,bmse010355,1
31,covalent,SING,C4,H30,,,,,32443,bmse010355,1
32,covalent,SING,C5,H31,,,,,32443,bmse010355,1
33,covalent,SING,C6,H32,,,,,32443,bmse010355,1
34,covalent,SING,C7,H33,,,,,32443,bmse010355,1
35,covalent,SING,C8,H34,,,,,32443,bmse010355,1
36,covalent,SING,C9,H35,,,,,32443,bmse010355,1
37,covalent,SING,C10,H36,,,,,32443,bmse010355,1
38,covalent,SING,C11,H37,,,,,32443,bmse010355,1
39,covalent,SING,O19,H38,,,,,32443,bmse010355,1
1,covalent,SING,C1,C13,,,,,32457,bmse010356,1
2,covalent,SING,C2,O22,,,,,32457,bmse010356,1
3,covalent,SING,C3,O23,,,,,32457,bmse010356,1
4,covalent,DOUB,C4,C5,,,,,32457,bmse010356,1
5,covalent,SING,C4,C6,,,,,32457,bmse010356,1
6,covalent,SING,C5,C7,,,,,32457,bmse010356,1
7,covalent,DOUB,C6,C16,,,,,32457,bmse010356,1
8,covalent,DOUB,C7,C17,,,,,32457,bmse010356,1
9,covalent,DOUB,C8,C9,,,,,32457,bmse010356,1
10,covalent,SING,C8,C14,,,,,32457,bmse010356,1
11,covalent,SING,C9,C18,,,,,32457,bmse010356,1
12,covalent,SING,C10,C14,,,,,32457,bmse010356,1
13,covalent,DOUB,C10,C15,,,,,32457,bmse010356,1
14,covalent,DOUB,C11,C14,,,,,32457,bmse010356,1
15,covalent,SING,C11,C19,,,,,32457,bmse010356,1
16,covalent,SING,C12,C15,,,,,32457,bmse010356,1
17,covalent,DOUB,C12,O20,,,,,32457,bmse010356,1
18,covalent,DOUB,C13,O21,,,,,32457,bmse010356,1
19,covalent,SING,C13,O24,,,,,32457,bmse010356,1
20,covalent,SING,C15,O25,,,,,32457,bmse010356,1
21,covalent,SING,C16,C17,,,,,32457,bmse010356,1
22,covalent,SING,C16,O22,,,,,32457,bmse010356,1
23,covalent,SING,C17,O25,,,,,32457,bmse010356,1
24,covalent,DOUB,C18,C19,,,,,32457,bmse010356,1
25,covalent,SING,C18,O24,,,,,32457,bmse010356,1
26,covalent,SING,C19,O23,,,,,32457,bmse010356,1
27,covalent,SING,C1,H28,,,,,32457,bmse010356,1
28,covalent,SING,C1,H26,,,,,32457,bmse010356,1
29,covalent,SING,C1,H27,,,,,32457,bmse010356,1
30,covalent,SING,C2,H30,,,,,32457,bmse010356,1
31,covalent,SING,C2,H29,,,,,32457,bmse010356,1
32,covalent,SING,C2,H31,,,,,32457,bmse010356,1
33,covalent,SING,C3,H34,,,,,32457,bmse010356,1
34,covalent,SING,C3,H33,,,,,32457,bmse010356,1
35,covalent,SING,C3,H32,,,,,32457,bmse010356,1
36,covalent,SING,C4,H35,,,,,32457,bmse010356,1
37,covalent,SING,C5,H36,,,,,32457,bmse010356,1
38,covalent,SING,C6,H37,,,,,32457,bmse010356,1
39,covalent,SING,C7,H38,,,,,32457,bmse010356,1
40,covalent,SING,C8,H39,,,,,32457,bmse010356,1
41,covalent,SING,C9,H40,,,,,32457,bmse010356,1
42,covalent,SING,C10,H41,,,,,32457,bmse010356,1
43,covalent,SING,C11,H42,,,,,32457,bmse010356,1
44,covalent,SING,C12,H43,,,,,32457,bmse010356,1
1,covalent,SING,C1,O21,,,,,32471,bmse010357,1
2,covalent,SING,C2,O22,,,,,32471,bmse010357,1
3,covalent,SING,C3,O23,,,,,32471,bmse010357,1
4,covalent,DOUB,C4,C5,,,,,32471,bmse010357,1
5,covalent,SING,C4,C6,,,,,32471,bmse010357,1
6,covalent,SING,C5,C7,,,,,32471,bmse010357,1
7,covalent,DOUB,C6,C14,,,,,32471,bmse010357,1
8,covalent,DOUB,C7,C15,,,,,32471,bmse010357,1
9,covalent,SING,C8,C12,,,,,32471,bmse010357,1
10,covalent,DOUB,C8,C13,,,,,32471,bmse010357,1
11,covalent,DOUB,C9,C12,,,,,32471,bmse010357,1
12,covalent,SING,C9,C16,,,,,32471,bmse010357,1
13,covalent,SING,C10,C12,,,,,32471,bmse010357,1
14,covalent,DOUB,C10,C17,,,,,32471,bmse010357,1
15,covalent,SING,C11,C13,,,,,32471,bmse010357,1
16,covalent,DOUB,C11,O19,,,,,32471,bmse010357,1
17,covalent,SING,C13,O24,,,,,32471,bmse010357,1
18,covalent,SING,C14,C15,,,,,32471,bmse010357,1
19,covalent,SING,C14,O21,,,,,32471,bmse010357,1
20,covalent,SING,C15,O24,,,,,32471,bmse010357,1
21,covalent,DOUB,C16,C18,,,,,32471,bmse010357,1
22,covalent,SING,C16,O22,,,,,32471,bmse010357,1
23,covalent,SING,C17,C18,,,,,32471,bmse010357,1
24,covalent,SING,C17,O23,,,,,32471,bmse010357,1
25,covalent,SING,C18,O20,,,,,32471,bmse010357,1
26,covalent,SING,C1,H26,,,,,32471,bmse010357,1
27,covalent,SING,C1,H25,,,,,32471,bmse010357,1
28,covalent,SING,C1,H27,,,,,32471,bmse010357,1
29,covalent,SING,C2,H28,,,,,32471,bmse010357,1
30,covalent,SING,C2,H30,,,,,32471,bmse010357,1
31,covalent,SING,C2,H29,,,,,32471,bmse010357,1
32,covalent,SING,C3,H33,,,,,32471,bmse010357,1
33,covalent,SING,C3,H32,,,,,32471,bmse010357,1
34,covalent,SING,C3,H31,,,,,32471,bmse010357,1
35,covalent,SING,C4,H34,,,,,32471,bmse010357,1
36,covalent,SING,C5,H35,,,,,32471,bmse010357,1
37,covalent,SING,C6,H36,,,,,32471,bmse010357,1
38,covalent,SING,C7,H37,,,,,32471,bmse010357,1
39,covalent,SING,C8,H38,,,,,32471,bmse010357,1
40,covalent,SING,C9,H39,,,,,32471,bmse010357,1
41,covalent,SING,C10,H40,,,,,32471,bmse010357,1
42,covalent,SING,C11,H41,,,,,32471,bmse010357,1
43,covalent,SING,O20,H42,,,,,32471,bmse010357,1
1,covalent,SING,C1,C13,,,,,32485,bmse010358,1
2,covalent,SING,C2,O23,,,,,32485,bmse010358,1
3,covalent,SING,C3,O24,,,,,32485,bmse010358,1
4,covalent,SING,C4,O25,,,,,32485,bmse010358,1
5,covalent,DOUB,C5,C6,,,,,32485,bmse010358,1
6,covalent,SING,C5,C7,,,,,32485,bmse010358,1
7,covalent,SING,C6,C8,,,,,32485,bmse010358,1
8,covalent,DOUB,C7,C16,,,,,32485,bmse010358,1
9,covalent,DOUB,C8,C17,,,,,32485,bmse010358,1
10,covalent,SING,C9,C14,,,,,32485,bmse010358,1
11,covalent,DOUB,C9,C15,,,,,32485,bmse010358,1
12,covalent,DOUB,C10,C14,,,,,32485,bmse010358,1
13,covalent,SING,C10,C18,,,,,32485,bmse010358,1
14,covalent,SING,C11,C14,,,,,32485,bmse010358,1
15,covalent,DOUB,C11,C19,,,,,32485,bmse010358,1
16,covalent,SING,C12,C15,,,,,32485,bmse010358,1
17,covalent,DOUB,C12,O21,,,,,32485,bmse010358,1
18,covalent,DOUB,C13,O22,,,,,32485,bmse010358,1
19,covalent,SING,C13,O26,,,,,32485,bmse010358,1
20,covalent,SING,C15,O27,,,,,32485,bmse010358,1
21,covalent,SING,C16,C17,,,,,32485,bmse010358,1
22,covalent,SING,C16,O23,,,,,32485,bmse010358,1
23,covalent,SING,C17,O27,,,,,32485,bmse010358,1
24,covalent,DOUB,C18,C20,,,,,32485,bmse010358,1
25,covalent,SING,C18,O24,,,,,32485,bmse010358,1
26,covalent,SING,C19,C20,,,,,32485,bmse010358,1
27,covalent,SING,C19,O25,,,,,32485,bmse010358,1
28,covalent,SING,C20,O26,,,,,32485,bmse010358,1
29,covalent,SING,C1,H28,,,,,32485,bmse010358,1
30,covalent,SING,C1,H29,,,,,32485,bmse010358,1
31,covalent,SING,C1,H30,,,,,32485,bmse010358,1
32,covalent,SING,C2,H32,,,,,32485,bmse010358,1
33,covalent,SING,C2,H31,,,,,32485,bmse010358,1
34,covalent,SING,C2,H33,,,,,32485,bmse010358,1
35,covalent,SING,C3,H34,,,,,32485,bmse010358,1
36,covalent,SING,C3,H36,,,,,32485,bmse010358,1
37,covalent,SING,C3,H35,,,,,32485,bmse010358,1
38,covalent,SING,C4,H37,,,,,32485,bmse010358,1
39,covalent,SING,C4,H38,,,,,32485,bmse010358,1
40,covalent,SING,C4,H39,,,,,32485,bmse010358,1
41,covalent,SING,C5,H40,,,,,32485,bmse010358,1
42,covalent,SING,C6,H41,,,,,32485,bmse010358,1
43,covalent,SING,C7,H42,,,,,32485,bmse010358,1
44,covalent,SING,C8,H43,,,,,32485,bmse010358,1
45,covalent,SING,C9,H44,,,,,32485,bmse010358,1
46,covalent,SING,C10,H45,,,,,32485,bmse010358,1
47,covalent,SING,C11,H46,,,,,32485,bmse010358,1
48,covalent,SING,C12,H47,,,,,32485,bmse010358,1
1,covalent,SING,C1,C13,,,,,32499,bmse010359,1
2,covalent,SING,C2,O23,,,,,32499,bmse010359,1
3,covalent,SING,C3,O24,,,,,32499,bmse010359,1
4,covalent,SING,C4,O25,,,,,32499,bmse010359,1
5,covalent,DOUB,C5,C6,,,,,32499,bmse010359,1
6,covalent,SING,C5,C7,,,,,32499,bmse010359,1
7,covalent,SING,C6,C17,,,,,32499,bmse010359,1
8,covalent,DOUB,C7,C18,,,,,32499,bmse010359,1
9,covalent,DOUB,C8,C9,,,,,32499,bmse010359,1
10,covalent,SING,C8,C14,,,,,32499,bmse010359,1
11,covalent,SING,C9,C16,,,,,32499,bmse010359,1
12,covalent,SING,C10,C14,,,,,32499,bmse010359,1
13,covalent,DOUB,C10,C15,,,,,32499,bmse010359,1
14,covalent,DOUB,C11,C14,,,,,32499,bmse010359,1
15,covalent,SING,C11,C19,,,,,32499,bmse010359,1
16,covalent,SING,C12,C15,,,,,32499,bmse010359,1
17,covalent,DOUB,C12,O21,,,,,32499,bmse010359,1
18,covalent,DOUB,C13,O22,,,,,32499,bmse010359,1
19,covalent,SING,C13,O26,,,,,32499,bmse010359,1
20,covalent,SING,C15,O27,,,,,32499,bmse010359,1
21,covalent,DOUB,C16,C19,,,,,32499,bmse010359,1
22,covalent,SING,C16,O26,,,,,32499,bmse010359,1
23,covalent,DOUB,C17,C20,,,,,32499,bmse010359,1
24,covalent,SING,C17,O23,,,,,32499,bmse010359,1
25,covalent,SING,C18,C20,,,,,32499,bmse010359,1
26,covalent,SING,C18,O24,,,,,32499,bmse010359,1
27,covalent,SING,C19,O25,,,,,32499,bmse010359,1
28,covalent,SING,C20,O27,,,,,32499,bmse010359,1
29,covalent,SING,C1,H30,,,,,32499,bmse010359,1
30,covalent,SING,C1,H28,,,,,32499,bmse010359,1
31,covalent,SING,C1,H29,,,,,32499,bmse010359,1
32,covalent,SING,C2,H31,,,,,32499,bmse010359,1
33,covalent,SING,C2,H33,,,,,32499,bmse010359,1
34,covalent,SING,C2,H32,,,,,32499,bmse010359,1
35,covalent,SING,C3,H35,,,,,32499,bmse010359,1
36,covalent,SING,C3,H34,,,,,32499,bmse010359,1
37,covalent,SING,C3,H36,,,,,32499,bmse010359,1
38,covalent,SING,C4,H39,,,,,32499,bmse010359,1
39,covalent,SING,C4,H38,,,,,32499,bmse010359,1
40,covalent,SING,C4,H37,,,,,32499,bmse010359,1
41,covalent,SING,C5,H40,,,,,32499,bmse010359,1
42,covalent,SING,C6,H41,,,,,32499,bmse010359,1
43,covalent,SING,C7,H42,,,,,32499,bmse010359,1
44,covalent,SING,C8,H43,,,,,32499,bmse010359,1
45,covalent,SING,C9,H44,,,,,32499,bmse010359,1
46,covalent,SING,C10,H45,,,,,32499,bmse010359,1
47,covalent,SING,C11,H46,,,,,32499,bmse010359,1
48,covalent,SING,C12,H47,,,,,32499,bmse010359,1
1,covalent,SING,C1,O22,,,,,32513,bmse010360,1
2,covalent,SING,C2,O23,,,,,32513,bmse010360,1
3,covalent,SING,C3,O24,,,,,32513,bmse010360,1
4,covalent,SING,C4,O25,,,,,32513,bmse010360,1
5,covalent,DOUB,C5,C6,,,,,32513,bmse010360,1
6,covalent,SING,C5,C7,,,,,32513,bmse010360,1
7,covalent,SING,C6,C14,,,,,32513,bmse010360,1
8,covalent,DOUB,C7,C15,,,,,32513,bmse010360,1
9,covalent,SING,C8,C12,,,,,32513,bmse010360,1
10,covalent,DOUB,C8,C13,,,,,32513,bmse010360,1
11,covalent,DOUB,C9,C12,,,,,32513,bmse010360,1
12,covalent,SING,C9,C16,,,,,32513,bmse010360,1
13,covalent,SING,C10,C12,,,,,32513,bmse010360,1
14,covalent,DOUB,C10,C17,,,,,32513,bmse010360,1
15,covalent,SING,C11,C13,,,,,32513,bmse010360,1
16,covalent,DOUB,C11,O20,,,,,32513,bmse010360,1
17,covalent,SING,C13,O26,,,,,32513,bmse010360,1
18,covalent,DOUB,C14,C19,,,,,32513,bmse010360,1
19,covalent,SING,C14,O22,,,,,32513,bmse010360,1
20,covalent,SING,C15,C19,,,,,32513,bmse010360,1
21,covalent,SING,C15,O23,,,,,32513,bmse010360,1
22,covalent,DOUB,C16,C18,,,,,32513,bmse010360,1
23,covalent,SING,C16,O24,,,,,32513,bmse010360,1
24,covalent,SING,C17,C18,,,,,32513,bmse010360,1
25,covalent,SING,C17,O25,,,,,32513,bmse010360,1
26,covalent,SING,C18,O21,,,,,32513,bmse010360,1
27,covalent,SING,C19,O26,,,,,32513,bmse010360,1
28,covalent,SING,C1,H27,,,,,32513,bmse010360,1
29,covalent,SING,C1,H28,,,,,32513,bmse010360,1
30,covalent,SING,C1,H29,,,,,32513,bmse010360,1
31,covalent,SING,C2,H30,,,,,32513,bmse010360,1
32,covalent,SING,C2,H31,,,,,32513,bmse010360,1
33,covalent,SING,C2,H32,,,,,32513,bmse010360,1
34,covalent,SING,C3,H33,,,,,32513,bmse010360,1
35,covalent,SING,C3,H34,,,,,32513,bmse010360,1
36,covalent,SING,C3,H35,,,,,32513,bmse010360,1
37,covalent,SING,C4,H36,,,,,32513,bmse010360,1
38,covalent,SING,C4,H37,,,,,32513,bmse010360,1
39,covalent,SING,C4,H38,,,,,32513,bmse010360,1
40,covalent,SING,C5,H39,,,,,32513,bmse010360,1
41,covalent,SING,C6,H40,,,,,32513,bmse010360,1
42,covalent,SING,C7,H41,,,,,32513,bmse010360,1
43,covalent,SING,C8,H42,,,,,32513,bmse010360,1
44,covalent,SING,C9,H43,,,,,32513,bmse010360,1
45,covalent,SING,C10,H44,,,,,32513,bmse010360,1
46,covalent,SING,C11,H45,,,,,32513,bmse010360,1
47,covalent,SING,O21,H46,,,,,32513,bmse010360,1
1,covalent,SING,C1,C13,,,,,32527,bmse010361,1
2,covalent,SING,C2,O24,,,,,32527,bmse010361,1
3,covalent,SING,C3,O25,,,,,32527,bmse010361,1
4,covalent,SING,C4,O26,,,,,32527,bmse010361,1
5,covalent,SING,C5,O27,,,,,32527,bmse010361,1
6,covalent,DOUB,C6,C7,,,,,32527,bmse010361,1
7,covalent,SING,C6,C8,,,,,32527,bmse010361,1
8,covalent,SING,C7,C16,,,,,32527,bmse010361,1
9,covalent,DOUB,C8,C17,,,,,32527,bmse010361,1
10,covalent,SING,C9,C14,,,,,32527,bmse010361,1
11,covalent,DOUB,C9,C15,,,,,32527,bmse010361,1
12,covalent,DOUB,C10,C14,,,,,32527,bmse010361,1
13,covalent,SING,C10,C18,,,,,32527,bmse010361,1
14,covalent,SING,C11,C14,,,,,32527,bmse010361,1
15,covalent,DOUB,C11,C19,,,,,32527,bmse010361,1
16,covalent,SING,C12,C15,,,,,32527,bmse010361,1
17,covalent,DOUB,C12,O22,,,,,32527,bmse010361,1
18,covalent,DOUB,C13,O23,,,,,32527,bmse010361,1
19,covalent,SING,C13,O28,,,,,32527,bmse010361,1
20,covalent,SING,C15,O29,,,,,32527,bmse010361,1
21,covalent,DOUB,C16,C20,,,,,32527,bmse010361,1
22,covalent,SING,C16,O24,,,,,32527,bmse010361,1
23,covalent,SING,C17,C20,,,,,32527,bmse010361,1
24,covalent,SING,C17,O25,,,,,32527,bmse010361,1
25,covalent,DOUB,C18,C21,,,,,32527,bmse010361,1
26,covalent,SING,C18,O26,,,,,32527,bmse010361,1
27,covalent,SING,C19,C21,,,,,32527,bmse010361,1
28,covalent,SING,C19,O27,,,,,32527,bmse010361,1
29,covalent,SING,C20,O29,,,,,32527,bmse010361,1
30,covalent,SING,C21,O28,,,,,32527,bmse010361,1
31,covalent,SING,C1,H30,,,,,32527,bmse010361,1
32,covalent,SING,C1,H31,,,,,32527,bmse010361,1
33,covalent,SING,C1,H32,,,,,32527,bmse010361,1
34,covalent,SING,C2,H33,,,,,32527,bmse010361,1
35,covalent,SING,C2,H34,,,,,32527,bmse010361,1
36,covalent,SING,C2,H35,,,,,32527,bmse010361,1
37,covalent,SING,C3,H36,,,,,32527,bmse010361,1
38,covalent,SING,C3,H37,,,,,32527,bmse010361,1
39,covalent,SING,C3,H38,,,,,32527,bmse010361,1
40,covalent,SING,C4,H39,,,,,32527,bmse010361,1
41,covalent,SING,C4,H40,,,,,32527,bmse010361,1
42,covalent,SING,C4,H41,,,,,32527,bmse010361,1
43,covalent,SING,C5,H42,,,,,32527,bmse010361,1
44,covalent,SING,C5,H43,,,,,32527,bmse010361,1
45,covalent,SING,C5,H44,,,,,32527,bmse010361,1
46,covalent,SING,C6,H45,,,,,32527,bmse010361,1
47,covalent,SING,C7,H46,,,,,32527,bmse010361,1
48,covalent,SING,C8,H47,,,,,32527,bmse010361,1
49,covalent,SING,C9,H48,,,,,32527,bmse010361,1
50,covalent,SING,C10,H49,,,,,32527,bmse010361,1
51,covalent,SING,C11,H50,,,,,32527,bmse010361,1
52,covalent,SING,C12,H51,,,,,32527,bmse010361,1
1,covalent,SING,C2,C12,,,,,32541,bmse010362,1
2,covalent,SING,C1,C11,,,,,32541,bmse010362,1
3,covalent,SING,C5,O33,,,,,32541,bmse010362,1
4,covalent,SING,C6,O34,,,,,32541,bmse010362,1
5,covalent,SING,C3,O31,,,,,32541,bmse010362,1
6,covalent,SING,C4,O32,,,,,32541,bmse010362,1
7,covalent,DOUB,C9,C14,,,,,32541,bmse010362,1
8,covalent,SING,C9,C17,,,,,32541,bmse010362,1
9,covalent,SING,C10,C14,,,,,32541,bmse010362,1
10,covalent,DOUB,C10,C18,,,,,32541,bmse010362,1
11,covalent,DOUB,C7,C13,,,,,32541,bmse010362,1
12,covalent,SING,C7,C15,,,,,32541,bmse010362,1
13,covalent,SING,C8,C13,,,,,32541,bmse010362,1
14,covalent,DOUB,C8,C16,,,,,32541,bmse010362,1
15,covalent,DOUB,C12,O28,,,,,32541,bmse010362,1
16,covalent,SING,C12,O36,,,,,32541,bmse010362,1
17,covalent,DOUB,C11,O27,,,,,32541,bmse010362,1
18,covalent,SING,C11,O35,,,,,32541,bmse010362,1
19,covalent,SING,C14,C22,,,,,32541,bmse010362,1
20,covalent,SING,C13,C21,,,,,32541,bmse010362,1
21,covalent,DOUB,C17,C24,,,,,32541,bmse010362,1
22,covalent,SING,C17,O33,,,,,32541,bmse010362,1
23,covalent,SING,C18,C24,,,,,32541,bmse010362,1
24,covalent,SING,C18,O34,,,,,32541,bmse010362,1
25,covalent,DOUB,C15,C23,,,,,32541,bmse010362,1
26,covalent,SING,C15,O31,,,,,32541,bmse010362,1
27,covalent,SING,C16,C23,,,,,32541,bmse010362,1
28,covalent,SING,C16,O32,,,,,32541,bmse010362,1
29,covalent,SING,C20,C19,,,,,32541,bmse010362,1
30,covalent,SING,C20,C22,,,,,32541,bmse010362,1
31,covalent,SING,C20,C26,,,,,32541,bmse010362,1
32,covalent,SING,C19,C21,,,,,32541,bmse010362,1
33,covalent,SING,C19,C25,,,,,32541,bmse010362,1
34,covalent,SING,C22,O38,,,,,32541,bmse010362,1
35,covalent,SING,C21,O37,,,,,32541,bmse010362,1
36,covalent,SING,C24,O36,,,,,32541,bmse010362,1
37,covalent,SING,C23,O35,,,,,32541,bmse010362,1
38,covalent,DOUB,C26,O30,,,,,32541,bmse010362,1
39,covalent,SING,C26,O37,,,,,32541,bmse010362,1
40,covalent,DOUB,C25,O29,,,,,32541,bmse010362,1
41,covalent,SING,C25,O38,,,,,32541,bmse010362,1
42,covalent,SING,C2,H44,,,,,32541,bmse010362,1
43,covalent,SING,C2,H42,,,,,32541,bmse010362,1
44,covalent,SING,C2,H43,,,,,32541,bmse010362,1
45,covalent,SING,C1,H39,,,,,32541,bmse010362,1
46,covalent,SING,C1,H40,,,,,32541,bmse010362,1
47,covalent,SING,C1,H41,,,,,32541,bmse010362,1
48,covalent,SING,C5,H52,,,,,32541,bmse010362,1
49,covalent,SING,C5,H51,,,,,32541,bmse010362,1
50,covalent,SING,C5,H53,,,,,32541,bmse010362,1
51,covalent,SING,C6,H54,,,,,32541,bmse010362,1
52,covalent,SING,C6,H56,,,,,32541,bmse010362,1
53,covalent,SING,C6,H55,,,,,32541,bmse010362,1
54,covalent,SING,C3,H45,,,,,32541,bmse010362,1
55,covalent,SING,C3,H47,,,,,32541,bmse010362,1
56,covalent,SING,C3,H46,,,,,32541,bmse010362,1
57,covalent,SING,C4,H49,,,,,32541,bmse010362,1
58,covalent,SING,C4,H50,,,,,32541,bmse010362,1
59,covalent,SING,C4,H48,,,,,32541,bmse010362,1
60,covalent,SING,C9,H59,,,,,32541,bmse010362,1
61,covalent,SING,C10,H60,,,,,32541,bmse010362,1
62,covalent,SING,C7,H57,,,,,32541,bmse010362,1
63,covalent,SING,C8,H58,,,,,32541,bmse010362,1
64,covalent,SING,C20,H62,,,,,32541,bmse010362,1
65,covalent,SING,C19,H61,,,,,32541,bmse010362,1
66,covalent,SING,C22,H64,,,,,32541,bmse010362,1
67,covalent,SING,C21,H63,,,,,32541,bmse010362,1
1,covalent,SING,C1,O22,,,,,32555,bmse010363,1
2,covalent,SING,C2,O23,,,,,32555,bmse010363,1
3,covalent,DOUB,C3,C4,,,,,32555,bmse010363,1
4,covalent,SING,C3,C11,,,,,32555,bmse010363,1
5,covalent,SING,C4,C12,,,,,32555,bmse010363,1
6,covalent,DOUB,C5,C10,,,,,32555,bmse010363,1
7,covalent,SING,C5,C14,,,,,32555,bmse010363,1
8,covalent,SING,C6,C10,,,,,32555,bmse010363,1
9,covalent,DOUB,C6,C15,,,,,32555,bmse010363,1
10,covalent,DOUB,C7,C11,,,,,32555,bmse010363,1
11,covalent,SING,C7,C13,,,,,32555,bmse010363,1
12,covalent,SING,C8,C10,,,,,32555,bmse010363,1
13,covalent,SING,C8,O19,,,,,32555,bmse010363,1
14,covalent,SING,C9,C16,,,,,32555,bmse010363,1
15,covalent,SING,C9,O20,,,,,32555,bmse010363,1
16,covalent,SING,C11,C17,,,,,32555,bmse010363,1
17,covalent,DOUB,C12,C13,,,,,32555,bmse010363,1
18,covalent,SING,C12,O21,,,,,32555,bmse010363,1
19,covalent,SING,C13,O22,,,,,32555,bmse010363,1
20,covalent,DOUB,C14,C18,,,,,32555,bmse010363,1
21,covalent,SING,C14,O23,,,,,32555,bmse010363,1
22,covalent,SING,C15,C18,,,,,32555,bmse010363,1
23,covalent,SING,C15,O24,,,,,32555,bmse010363,1
24,covalent,SING,C16,C17,,,,,32555,bmse010363,1
25,covalent,SING,C16,O25,,,,,32555,bmse010363,1
26,covalent,SING,C17,O24,,,,,32555,bmse010363,1
27,covalent,SING,C18,O25,,,,,32555,bmse010363,1
28,covalent,SING,C1,H26,,,,,32555,bmse010363,1
29,covalent,SING,C1,H27,,,,,32555,bmse010363,1
30,covalent,SING,C1,H28,,,,,32555,bmse010363,1
31,covalent,SING,C2,H30,,,,,32555,bmse010363,1
32,covalent,SING,C2,H31,,,,,32555,bmse010363,1
33,covalent,SING,C2,H29,,,,,32555,bmse010363,1
34,covalent,SING,C3,H32,,,,,32555,bmse010363,1
35,covalent,SING,C4,H33,,,,,32555,bmse010363,1
36,covalent,SING,C5,H34,,,,,32555,bmse010363,1
37,covalent,SING,C6,H35,,,,,32555,bmse010363,1
38,covalent,SING,C7,H36,,,,,32555,bmse010363,1
39,covalent,SING,C8,H37,,,,,32555,bmse010363,1
40,covalent,SING,C8,H38,,,,,32555,bmse010363,1
41,covalent,SING,C9,H39,,,,,32555,bmse010363,1
42,covalent,SING,C9,H40,,,,,32555,bmse010363,1
43,covalent,SING,C16,H41,,,,,32555,bmse010363,1
44,covalent,SING,C17,H42,,,,,32555,bmse010363,1
45,covalent,SING,O19,H43,,,,,32555,bmse010363,1
46,covalent,SING,O20,H44,,,,,32555,bmse010363,1
47,covalent,SING,O21,H45,,,,,32555,bmse010363,1
1,covalent,SING,C1,C13,,,,,32569,bmse010364,1
2,covalent,SING,C2,C14,,,,,32569,bmse010364,1
3,covalent,SING,C3,C15,,,,,32569,bmse010364,1
4,covalent,SING,C4,O28,,,,,32569,bmse010364,1
5,covalent,SING,C5,O29,,,,,32569,bmse010364,1
6,covalent,DOUB,C6,C7,,,,,32569,bmse010364,1
7,covalent,SING,C6,C17,,,,,32569,bmse010364,1
8,covalent,SING,C7,C18,,,,,32569,bmse010364,1
9,covalent,DOUB,C8,C16,,,,,32569,bmse010364,1
10,covalent,SING,C8,C20,,,,,32569,bmse010364,1
11,covalent,SING,C9,C16,,,,,32569,bmse010364,1
12,covalent,DOUB,C9,C21,,,,,32569,bmse010364,1
13,covalent,DOUB,C10,C17,,,,,32569,bmse010364,1
14,covalent,SING,C10,C19,,,,,32569,bmse010364,1
15,covalent,SING,C11,C16,,,,,32569,bmse010364,1
16,covalent,SING,C11,O30,,,,,32569,bmse010364,1
17,covalent,SING,C12,C22,,,,,32569,bmse010364,1
18,covalent,SING,C12,O31,,,,,32569,bmse010364,1
19,covalent,DOUB,C13,O25,,,,,32569,bmse010364,1
20,covalent,SING,C13,O30,,,,,32569,bmse010364,1
21,covalent,DOUB,C14,O26,,,,,32569,bmse010364,1
22,covalent,SING,C14,O31,,,,,32569,bmse010364,1
23,covalent,DOUB,C15,O27,,,,,32569,bmse010364,1
24,covalent,SING,C15,O32,,,,,32569,bmse010364,1
25,covalent,SING,C17,C23,,,,,32569,bmse010364,1
26,covalent,DOUB,C18,C19,,,,,32569,bmse010364,1
27,covalent,SING,C18,O32,,,,,32569,bmse010364,1
28,covalent,SING,C19,O28,,,,,32569,bmse010364,1
29,covalent,DOUB,C20,C24,,,,,32569,bmse010364,1
30,covalent,SING,C20,O29,,,,,32569,bmse010364,1
31,covalent,SING,C21,C24,,,,,32569,bmse010364,1
32,covalent,SING,C21,O33,,,,,32569,bmse010364,1
33,covalent,SING,C22,C23,,,,,32569,bmse010364,1
34,covalent,SING,C22,O34,,,,,32569,bmse010364,1
35,covalent,SING,C23,O33,,,,,32569,bmse010364,1
36,covalent,SING,C24,O34,,,,,32569,bmse010364,1
37,covalent,SING,C1,H36,,,,,32569,bmse010364,1
38,covalent,SING,C1,H35,,,,,32569,bmse010364,1
39,covalent,SING,C1,H37,,,,,32569,bmse010364,1
40,covalent,SING,C2,H40,,,,,32569,bmse010364,1
41,covalent,SING,C2,H39,,,,,32569,bmse010364,1
42,covalent,SING,C2,H38,,,,,32569,bmse010364,1
43,covalent,SING,C3,H41,,,,,32569,bmse010364,1
44,covalent,SING,C3,H42,,,,,32569,bmse010364,1
45,covalent,SING,C3,H43,,,,,32569,bmse010364,1
46,covalent,SING,C4,H46,,,,,32569,bmse010364,1
47,covalent,SING,C4,H45,,,,,32569,bmse010364,1
48,covalent,SING,C4,H44,,,,,32569,bmse010364,1
49,covalent,SING,C5,H48,,,,,32569,bmse010364,1
50,covalent,SING,C5,H49,,,,,32569,bmse010364,1
51,covalent,SING,C5,H47,,,,,32569,bmse010364,1
52,covalent,SING,C6,H50,,,,,32569,bmse010364,1
53,covalent,SING,C7,H51,,,,,32569,bmse010364,1
54,covalent,SING,C8,H52,,,,,32569,bmse010364,1
55,covalent,SING,C9,H53,,,,,32569,bmse010364,1
56,covalent,SING,C10,H54,,,,,32569,bmse010364,1
57,covalent,SING,C11,H55,,,,,32569,bmse010364,1
58,covalent,SING,C11,H56,,,,,32569,bmse010364,1
59,covalent,SING,C12,H57,,,,,32569,bmse010364,1
60,covalent,SING,C12,H58,,,,,32569,bmse010364,1
61,covalent,SING,C22,H59,,,,,32569,bmse010364,1
62,covalent,SING,C23,H60,,,,,32569,bmse010364,1
1,covalent,SING,C1,O13,,,,,32583,bmse010365,1
2,covalent,SING,C2,O14,,,,,32583,bmse010365,1
3,covalent,SING,C3,C4,,,,,32583,bmse010365,1
4,covalent,SING,C3,C5,,,,,32583,bmse010365,1
5,covalent,SING,C4,C7,,,,,32583,bmse010365,1
6,covalent,SING,C5,C8,,,,,32583,bmse010365,1
7,covalent,DOUB,C6,C7,,,,,32583,bmse010365,1
8,covalent,SING,C6,C9,,,,,32583,bmse010365,1
9,covalent,SING,C7,C8,,,,,32583,bmse010365,1
10,covalent,DOUB,C8,C11,,,,,32583,bmse010365,1
11,covalent,DOUB,C9,C10,,,,,32583,bmse010365,1
12,covalent,SING,C9,O13,,,,,32583,bmse010365,1
13,covalent,SING,C10,C11,,,,,32583,bmse010365,1
14,covalent,SING,C10,O12,,,,,32583,bmse010365,1
15,covalent,SING,C11,O14,,,,,32583,bmse010365,1
16,covalent,SING,C1,H17,,,,,32583,bmse010365,1
17,covalent,SING,C1,H16,,,,,32583,bmse010365,1
18,covalent,SING,C1,H15,,,,,32583,bmse010365,1
19,covalent,SING,C2,H18,,,,,32583,bmse010365,1
20,covalent,SING,C2,H19,,,,,32583,bmse010365,1
21,covalent,SING,C2,H20,,,,,32583,bmse010365,1
22,covalent,SING,C3,H21,,,,,32583,bmse010365,1
23,covalent,SING,C3,H22,,,,,32583,bmse010365,1
24,covalent,SING,C4,H23,,,,,32583,bmse010365,1
25,covalent,SING,C4,H24,,,,,32583,bmse010365,1
26,covalent,SING,C5,H25,,,,,32583,bmse010365,1
27,covalent,SING,C5,H26,,,,,32583,bmse010365,1
28,covalent,SING,C6,H27,,,,,32583,bmse010365,1
29,covalent,SING,O12,H28,,,,,32583,bmse010365,1
1,covalent,SING,C1,C5,,,,,32600,bmse010366,1
2,covalent,SING,C2,C6,,,,,32600,bmse010366,1
3,covalent,SING,C3,O17,,,,,32600,bmse010366,1
4,covalent,SING,C4,O18,,,,,32600,bmse010366,1
5,covalent,SING,C5,S19,,,,,32600,bmse010366,1
6,covalent,SING,C6,S20,,,,,32600,bmse010366,1
7,covalent,DOUB,C7,C9,,,,,32600,bmse010366,1
8,covalent,SING,C7,C10,,,,,32600,bmse010366,1
9,covalent,SING,C8,C9,,,,,32600,bmse010366,1
10,covalent,SING,C8,C11,,,,,32600,bmse010366,1
11,covalent,SING,C9,C12,,,,,32600,bmse010366,1
12,covalent,DOUB,C10,C13,,,,,32600,bmse010366,1
13,covalent,SING,C10,O17,,,,,32600,bmse010366,1
14,covalent,DOUB,C11,C15,,,,,32600,bmse010366,1
15,covalent,SING,C11,S19,,,,,32600,bmse010366,1
16,covalent,DOUB,C12,C14,,,,,32600,bmse010366,1
17,covalent,SING,C12,C15,,,,,32600,bmse010366,1
18,covalent,SING,C13,C14,,,,,32600,bmse010366,1
19,covalent,SING,C13,O16,,,,,32600,bmse010366,1
20,covalent,SING,C14,O18,,,,,32600,bmse010366,1
21,covalent,SING,C15,S20,,,,,32600,bmse010366,1
22,covalent,SING,C1,H22,,,,,32600,bmse010366,1
23,covalent,SING,C1,H23,,,,,32600,bmse010366,1
24,covalent,SING,C1,H21,,,,,32600,bmse010366,1
25,covalent,SING,C2,H24,,,,,32600,bmse010366,1
26,covalent,SING,C2,H26,,,,,32600,bmse010366,1
27,covalent,SING,C2,H25,,,,,32600,bmse010366,1
28,covalent,SING,C3,H29,,,,,32600,bmse010366,1
29,covalent,SING,C3,H27,,,,,32600,bmse010366,1
30,covalent,SING,C3,H28,,,,,32600,bmse010366,1
31,covalent,SING,C4,H32,,,,,32600,bmse010366,1
32,covalent,SING,C4,H31,,,,,32600,bmse010366,1
33,covalent,SING,C4,H30,,,,,32600,bmse010366,1
34,covalent,SING,C5,H33,,,,,32600,bmse010366,1
35,covalent,SING,C5,H34,,,,,32600,bmse010366,1
36,covalent,SING,C6,H35,,,,,32600,bmse010366,1
37,covalent,SING,C6,H36,,,,,32600,bmse010366,1
38,covalent,SING,C7,H37,,,,,32600,bmse010366,1
39,covalent,SING,C8,H38,,,,,32600,bmse010366,1
40,covalent,SING,C8,H39,,,,,32600,bmse010366,1
41,covalent,SING,O16,H40,,,,,32600,bmse010366,1
1,covalent,SING,C1,C5,,,,,32614,bmse010367,1
2,covalent,SING,C2,C6,,,,,32614,bmse010367,1
3,covalent,SING,C3,O17,,,,,32614,bmse010367,1
4,covalent,SING,C4,O18,,,,,32614,bmse010367,1
5,covalent,SING,C5,S19,,,,,32614,bmse010367,1
6,covalent,SING,C6,S20,,,,,32614,bmse010367,1
7,covalent,DOUB,C7,C9,,,,,32614,bmse010367,1
8,covalent,SING,C7,C10,,,,,32614,bmse010367,1
9,covalent,SING,C8,C9,,,,,32614,bmse010367,1
10,covalent,DOUB,C8,C11,,,,,32614,bmse010367,1
11,covalent,SING,C9,C12,,,,,32614,bmse010367,1
12,covalent,DOUB,C10,C13,,,,,32614,bmse010367,1
13,covalent,SING,C10,O17,,,,,32614,bmse010367,1
14,covalent,SING,C11,C15,,,,,32614,bmse010367,1
15,covalent,SING,C11,S19,,,,,32614,bmse010367,1
16,covalent,DOUB,C12,C14,,,,,32614,bmse010367,1
17,covalent,SING,C12,C15,,,,,32614,bmse010367,1
18,covalent,SING,C13,C14,,,,,32614,bmse010367,1
19,covalent,SING,C13,O16,,,,,32614,bmse010367,1
20,covalent,SING,C14,O18,,,,,32614,bmse010367,1
21,covalent,SING,C15,S20,,,,,32614,bmse010367,1
22,covalent,SING,C1,H22,,,,,32614,bmse010367,1
23,covalent,SING,C1,H21,,,,,32614,bmse010367,1
24,covalent,SING,C1,H23,,,,,32614,bmse010367,1
25,covalent,SING,C2,H26,,,,,32614,bmse010367,1
26,covalent,SING,C2,H25,,,,,32614,bmse010367,1
27,covalent,SING,C2,H24,,,,,32614,bmse010367,1
28,covalent,SING,C3,H29,,,,,32614,bmse010367,1
29,covalent,SING,C3,H28,,,,,32614,bmse010367,1
30,covalent,SING,C3,H27,,,,,32614,bmse010367,1
31,covalent,SING,C4,H31,,,,,32614,bmse010367,1
32,covalent,SING,C4,H32,,,,,32614,bmse010367,1
33,covalent,SING,C4,H30,,,,,32614,bmse010367,1
34,covalent,SING,C5,H33,,,,,32614,bmse010367,1
35,covalent,SING,C5,H34,,,,,32614,bmse010367,1
36,covalent,SING,C6,H35,,,,,32614,bmse010367,1
37,covalent,SING,C6,H36,,,,,32614,bmse010367,1
38,covalent,SING,C7,H37,,,,,32614,bmse010367,1
39,covalent,SING,C8,H38,,,,,32614,bmse010367,1
40,covalent,SING,C15,H39,,,,,32614,bmse010367,1
41,covalent,SING,O16,H40,,,,,32614,bmse010367,1
1,covalent,SING,C1,O12,,,,,32628,bmse010368,1
2,covalent,SING,C2,C3,,,,,32628,bmse010368,1
3,covalent,SING,C2,C4,,,,,32628,bmse010368,1
4,covalent,SING,C3,C7,,,,,32628,bmse010368,1
5,covalent,SING,C4,C8,,,,,32628,bmse010368,1
6,covalent,DOUB,C5,C7,,,,,32628,bmse010368,1
7,covalent,SING,C5,C9,,,,,32628,bmse010368,1
8,covalent,DOUB,C6,C8,,,,,32628,bmse010368,1
9,covalent,SING,C6,C10,,,,,32628,bmse010368,1
10,covalent,SING,C7,C8,,,,,32628,bmse010368,1
11,covalent,DOUB,C9,C10,,,,,32628,bmse010368,1
12,covalent,SING,C9,O11,,,,,32628,bmse010368,1
13,covalent,SING,C10,O12,,,,,32628,bmse010368,1
14,covalent,SING,C1,H15,,,,,32628,bmse010368,1
15,covalent,SING,C1,H13,,,,,32628,bmse010368,1
16,covalent,SING,C1,H14,,,,,32628,bmse010368,1
17,covalent,SING,C2,H16,,,,,32628,bmse010368,1
18,covalent,SING,C2,H17,,,,,32628,bmse010368,1
19,covalent,SING,C3,H18,,,,,32628,bmse010368,1
20,covalent,SING,C3,H19,,,,,32628,bmse010368,1
21,covalent,SING,C4,H20,,,,,32628,bmse010368,1
22,covalent,SING,C4,H21,,,,,32628,bmse010368,1
23,covalent,SING,C5,H22,,,,,32628,bmse010368,1
24,covalent,SING,C6,H23,,,,,32628,bmse010368,1
25,covalent,SING,O11,H24,,,,,32628,bmse010368,1
1,covalent,SING,C1,C5,,,,,32642,bmse010369,1
2,covalent,SING,C2,O23,,,,,32642,bmse010369,1
3,covalent,SING,C3,O24,,,,,32642,bmse010369,1
4,covalent,SING,C4,O25,,,,,32642,bmse010369,1
5,covalent,SING,C5,O26,,,,,32642,bmse010369,1
6,covalent,DOUB,C6,C7,,,,,32642,bmse010369,1
7,covalent,SING,C6,C8,,,,,32642,bmse010369,1
8,covalent,SING,C7,C15,,,,,32642,bmse010369,1
9,covalent,DOUB,C8,C16,,,,,32642,bmse010369,1
10,covalent,DOUB,C9,C10,,,,,32642,bmse010369,1
11,covalent,SING,C9,C13,,,,,32642,bmse010369,1
12,covalent,SING,C10,C14,,,,,32642,bmse010369,1
13,covalent,DOUB,C11,C13,,,,,32642,bmse010369,1
14,covalent,SING,C11,C17,,,,,32642,bmse010369,1
15,covalent,SING,C12,C13,,,,,32642,bmse010369,1
16,covalent,DOUB,C12,C18,,,,,32642,bmse010369,1
17,covalent,DOUB,C14,C17,,,,,32642,bmse010369,1
18,covalent,SING,C14,O21,,,,,32642,bmse010369,1
19,covalent,DOUB,C15,C19,,,,,32642,bmse010369,1
20,covalent,SING,C15,O23,,,,,32642,bmse010369,1
21,covalent,SING,C16,C19,,,,,32642,bmse010369,1
22,covalent,SING,C16,O24,,,,,32642,bmse010369,1
23,covalent,SING,C17,O25,,,,,32642,bmse010369,1
24,covalent,SING,C18,C20,,,,,32642,bmse010369,1
25,covalent,SING,C18,O27,,,,,32642,bmse010369,1
26,covalent,SING,C19,O27,,,,,32642,bmse010369,1
27,covalent,DOUB,C20,O22,,,,,32642,bmse010369,1
28,covalent,SING,C20,O26,,,,,32642,bmse010369,1
29,covalent,SING,C1,H28,,,,,32642,bmse010369,1
30,covalent,SING,C1,H30,,,,,32642,bmse010369,1
31,covalent,SING,C1,H29,,,,,32642,bmse010369,1
32,covalent,SING,C2,H31,,,,,32642,bmse010369,1
33,covalent,SING,C2,H33,,,,,32642,bmse010369,1
34,covalent,SING,C2,H32,,,,,32642,bmse010369,1
35,covalent,SING,C3,H35,,,,,32642,bmse010369,1
36,covalent,SING,C3,H34,,,,,32642,bmse010369,1
37,covalent,SING,C3,H36,,,,,32642,bmse010369,1
38,covalent,SING,C4,H37,,,,,32642,bmse010369,1
39,covalent,SING,C4,H38,,,,,32642,bmse010369,1
40,covalent,SING,C4,H39,,,,,32642,bmse010369,1
41,covalent,SING,C5,H40,,,,,32642,bmse010369,1
42,covalent,SING,C5,H41,,,,,32642,bmse010369,1
43,covalent,SING,C6,H42,,,,,32642,bmse010369,1
44,covalent,SING,C7,H43,,,,,32642,bmse010369,1
45,covalent,SING,C8,H44,,,,,32642,bmse010369,1
46,covalent,SING,C9,H45,,,,,32642,bmse010369,1
47,covalent,SING,C10,H46,,,,,32642,bmse010369,1
48,covalent,SING,C11,H47,,,,,32642,bmse010369,1
49,covalent,SING,C12,H48,,,,,32642,bmse010369,1
50,covalent,SING,O21,H49,,,,,32642,bmse010369,1
1,covalent,SING,C1,O21,,,,,32656,bmse010370,1
2,covalent,SING,C2,O22,,,,,32656,bmse010370,1
3,covalent,SING,C3,O23,,,,,32656,bmse010370,1
4,covalent,DOUB,C4,C5,,,,,32656,bmse010370,1
5,covalent,SING,C4,C6,,,,,32656,bmse010370,1
6,covalent,SING,C5,C15,,,,,32656,bmse010370,1
7,covalent,DOUB,C6,C16,,,,,32656,bmse010370,1
8,covalent,DOUB,C7,C8,,,,,32656,bmse010370,1
9,covalent,SING,C7,C12,,,,,32656,bmse010370,1
10,covalent,SING,C8,C14,,,,,32656,bmse010370,1
11,covalent,SING,C9,C12,,,,,32656,bmse010370,1
12,covalent,DOUB,C9,C13,,,,,32656,bmse010370,1
13,covalent,DOUB,C10,C12,,,,,32656,bmse010370,1
14,covalent,SING,C10,C17,,,,,32656,bmse010370,1
15,covalent,SING,C11,C13,,,,,32656,bmse010370,1
16,covalent,SING,C11,O19,,,,,32656,bmse010370,1
17,covalent,SING,C13,O24,,,,,32656,bmse010370,1
18,covalent,DOUB,C14,C17,,,,,32656,bmse010370,1
19,covalent,SING,C14,O20,,,,,32656,bmse010370,1
20,covalent,DOUB,C15,C18,,,,,32656,bmse010370,1
21,covalent,SING,C15,O21,,,,,32656,bmse010370,1
22,covalent,SING,C16,C18,,,,,32656,bmse010370,1
23,covalent,SING,C16,O22,,,,,32656,bmse010370,1
24,covalent,SING,C17,O23,,,,,32656,bmse010370,1
25,covalent,SING,C18,O24,,,,,32656,bmse010370,1
26,covalent,SING,C1,H25,,,,,32656,bmse010370,1
27,covalent,SING,C1,H27,,,,,32656,bmse010370,1
28,covalent,SING,C1,H26,,,,,32656,bmse010370,1
29,covalent,SING,C2,H29,,,,,32656,bmse010370,1
30,covalent,SING,C2,H28,,,,,32656,bmse010370,1
31,covalent,SING,C2,H30,,,,,32656,bmse010370,1
32,covalent,SING,C3,H31,,,,,32656,bmse010370,1
33,covalent,SING,C3,H32,,,,,32656,bmse010370,1
34,covalent,SING,C3,H33,,,,,32656,bmse010370,1
35,covalent,SING,C4,H34,,,,,32656,bmse010370,1
36,covalent,SING,C5,H35,,,,,32656,bmse010370,1
37,covalent,SING,C6,H36,,,,,32656,bmse010370,1
38,covalent,SING,C7,H37,,,,,32656,bmse010370,1
39,covalent,SING,C8,H38,,,,,32656,bmse010370,1
40,covalent,SING,C9,H39,,,,,32656,bmse010370,1
41,covalent,SING,C10,H40,,,,,32656,bmse010370,1
42,covalent,SING,C11,H41,,,,,32656,bmse010370,1
43,covalent,SING,C11,H42,,,,,32656,bmse010370,1
44,covalent,SING,O19,H43,,,,,32656,bmse010370,1
45,covalent,SING,O20,H44,,,,,32656,bmse010370,1
1,covalent,SING,C1,C5,,,,,32670,bmse010371,1
2,covalent,SING,C2,O23,,,,,32670,bmse010371,1
3,covalent,SING,C3,O24,,,,,32670,bmse010371,1
4,covalent,SING,C4,O25,,,,,32670,bmse010371,1
5,covalent,SING,C5,O26,,,,,32670,bmse010371,1
6,covalent,DOUB,C6,C7,,,,,32670,bmse010371,1
7,covalent,SING,C6,C8,,,,,32670,bmse010371,1
8,covalent,SING,C7,C9,,,,,32670,bmse010371,1
9,covalent,DOUB,C8,C14,,,,,32670,bmse010371,1
10,covalent,DOUB,C9,C15,,,,,32670,bmse010371,1
11,covalent,DOUB,C10,C13,,,,,32670,bmse010371,1
12,covalent,SING,C10,C16,,,,,32670,bmse010371,1
13,covalent,SING,C11,C13,,,,,32670,bmse010371,1
14,covalent,DOUB,C11,C17,,,,,32670,bmse010371,1
15,covalent,SING,C12,C13,,,,,32670,bmse010371,1
16,covalent,DOUB,C12,C18,,,,,32670,bmse010371,1
17,covalent,SING,C14,C15,,,,,32670,bmse010371,1
18,covalent,SING,C14,O23,,,,,32670,bmse010371,1
19,covalent,SING,C15,O27,,,,,32670,bmse010371,1
20,covalent,DOUB,C16,C19,,,,,32670,bmse010371,1
21,covalent,SING,C16,O24,,,,,32670,bmse010371,1
22,covalent,SING,C17,C19,,,,,32670,bmse010371,1
23,covalent,SING,C17,O25,,,,,32670,bmse010371,1
24,covalent,SING,C18,C20,,,,,32670,bmse010371,1
25,covalent,SING,C18,O27,,,,,32670,bmse010371,1
26,covalent,SING,C19,O21,,,,,32670,bmse010371,1
27,covalent,DOUB,C20,O22,,,,,32670,bmse010371,1
28,covalent,SING,C20,O26,,,,,32670,bmse010371,1
29,covalent,SING,C1,H28,,,,,32670,bmse010371,1
30,covalent,SING,C1,H30,,,,,32670,bmse010371,1
31,covalent,SING,C1,H29,,,,,32670,bmse010371,1
32,covalent,SING,C2,H32,,,,,32670,bmse010371,1
33,covalent,SING,C2,H31,,,,,32670,bmse010371,1
34,covalent,SING,C2,H33,,,,,32670,bmse010371,1
35,covalent,SING,C3,H34,,,,,32670,bmse010371,1
36,covalent,SING,C3,H36,,,,,32670,bmse010371,1
37,covalent,SING,C3,H35,,,,,32670,bmse010371,1
38,covalent,SING,C4,H39,,,,,32670,bmse010371,1
39,covalent,SING,C4,H38,,,,,32670,bmse010371,1
40,covalent,SING,C4,H37,,,,,32670,bmse010371,1
41,covalent,SING,C5,H40,,,,,32670,bmse010371,1
42,covalent,SING,C5,H41,,,,,32670,bmse010371,1
43,covalent,SING,C6,H42,,,,,32670,bmse010371,1
44,covalent,SING,C7,H43,,,,,32670,bmse010371,1
45,covalent,SING,C8,H44,,,,,32670,bmse010371,1
46,covalent,SING,C9,H45,,,,,32670,bmse010371,1
47,covalent,SING,C10,H46,,,,,32670,bmse010371,1
48,covalent,SING,C11,H47,,,,,32670,bmse010371,1
49,covalent,SING,C12,H48,,,,,32670,bmse010371,1
50,covalent,SING,O21,H49,,,,,32670,bmse010371,1
1,covalent,SING,C1,O35,,,,,32684,bmse010372,1
2,covalent,SING,C2,O36,,,,,32684,bmse010372,1
3,covalent,SING,C3,O37,,,,,32684,bmse010372,1
4,covalent,DOUB,C4,C5,,,,,32684,bmse010372,1
5,covalent,SING,C4,C12,,,,,32684,bmse010372,1
6,covalent,SING,C5,C20,,,,,32684,bmse010372,1
7,covalent,DOUB,C6,C9,,,,,32684,bmse010372,1
8,covalent,SING,C6,C21,,,,,32684,bmse010372,1
9,covalent,DOUB,C7,C10,,,,,32684,bmse010372,1
10,covalent,SING,C7,C20,,,,,32684,bmse010372,1
11,covalent,DOUB,C8,C11,,,,,32684,bmse010372,1
12,covalent,SING,C8,C22,,,,,32684,bmse010372,1
13,covalent,SING,C9,C25,,,,,32684,bmse010372,1
14,covalent,SING,C10,C26,,,,,32684,bmse010372,1
15,covalent,SING,C11,C27,,,,,32684,bmse010372,1
16,covalent,DOUB,C12,O31,,,,,32684,bmse010372,1
17,covalent,SING,C13,C21,,,,,32684,bmse010372,1
18,covalent,DOUB,C13,C23,,,,,32684,bmse010372,1
19,covalent,SING,C14,C22,,,,,32684,bmse010372,1
20,covalent,DOUB,C14,C24,,,,,32684,bmse010372,1
21,covalent,DOUB,C15,C20,,,,,32684,bmse010372,1
22,covalent,SING,C15,C29,,,,,32684,bmse010372,1
23,covalent,DOUB,C16,C21,,,,,32684,bmse010372,1
24,covalent,SING,C16,C28,,,,,32684,bmse010372,1
25,covalent,DOUB,C17,C22,,,,,32684,bmse010372,1
26,covalent,SING,C17,C30,,,,,32684,bmse010372,1
27,covalent,SING,C18,C23,,,,,32684,bmse010372,1
28,covalent,DOUB,C18,O32,,,,,32684,bmse010372,1
29,covalent,SING,C19,C24,,,,,32684,bmse010372,1
30,covalent,DOUB,C19,O33,,,,,32684,bmse010372,1
31,covalent,SING,C23,O39,,,,,32684,bmse010372,1
32,covalent,SING,C24,O38,,,,,32684,bmse010372,1
33,covalent,DOUB,C25,C28,,,,,32684,bmse010372,1
34,covalent,SING,C25,O34,,,,,32684,bmse010372,1
35,covalent,DOUB,C26,C29,,,,,32684,bmse010372,1
36,covalent,SING,C26,O38,,,,,32684,bmse010372,1
37,covalent,DOUB,C27,C30,,,,,32684,bmse010372,1
38,covalent,SING,C27,O39,,,,,32684,bmse010372,1
39,covalent,SING,C28,O35,,,,,32684,bmse010372,1
40,covalent,SING,C29,O36,,,,,32684,bmse010372,1
41,covalent,SING,C30,O37,,,,,32684,bmse010372,1
42,covalent,SING,C1,H40,,,,,32684,bmse010372,1
43,covalent,SING,C1,H41,,,,,32684,bmse010372,1
44,covalent,SING,C1,H42,,,,,32684,bmse010372,1
45,covalent,SING,C2,H43,,,,,32684,bmse010372,1
46,covalent,SING,C2,H44,,,,,32684,bmse010372,1
47,covalent,SING,C2,H45,,,,,32684,bmse010372,1
48,covalent,SING,C3,H46,,,,,32684,bmse010372,1
49,covalent,SING,C3,H47,,,,,32684,bmse010372,1
50,covalent,SING,C3,H48,,,,,32684,bmse010372,1
51,covalent,SING,C4,H49,,,,,32684,bmse010372,1
52,covalent,SING,C5,H50,,,,,32684,bmse010372,1
53,covalent,SING,C6,H51,,,,,32684,bmse010372,1
54,covalent,SING,C7,H52,,,,,32684,bmse010372,1
55,covalent,SING,C8,H53,,,,,32684,bmse010372,1
56,covalent,SING,C9,H54,,,,,32684,bmse010372,1
57,covalent,SING,C10,H55,,,,,32684,bmse010372,1
58,covalent,SING,C11,H56,,,,,32684,bmse010372,1
59,covalent,SING,C12,H57,,,,,32684,bmse010372,1
60,covalent,SING,C13,H58,,,,,32684,bmse010372,1
61,covalent,SING,C14,H59,,,,,32684,bmse010372,1
62,covalent,SING,C15,H60,,,,,32684,bmse010372,1
63,covalent,SING,C16,H61,,,,,32684,bmse010372,1
64,covalent,SING,C17,H62,,,,,32684,bmse010372,1
65,covalent,SING,C18,H63,,,,,32684,bmse010372,1
66,covalent,SING,C19,H64,,,,,32684,bmse010372,1
67,covalent,SING,O34,H65,,,,,32684,bmse010372,1
1,covalent,SING,C1,O24,,,,,32698,bmse010373,1
2,covalent,SING,C2,O25,,,,,32698,bmse010373,1
3,covalent,DOUB,C3,C4,,,,,32698,bmse010373,1
4,covalent,SING,C3,C7,,,,,32698,bmse010373,1
5,covalent,SING,C4,C12,,,,,32698,bmse010373,1
6,covalent,DOUB,C5,C6,,,,,32698,bmse010373,1
7,covalent,SING,C5,C13,,,,,32698,bmse010373,1
8,covalent,SING,C6,C16,,,,,32698,bmse010373,1
9,covalent,DOUB,C7,O21,,,,,32698,bmse010373,1
10,covalent,DOUB,C8,C12,,,,,32698,bmse010373,1
11,covalent,SING,C8,C14,,,,,32698,bmse010373,1
12,covalent,SING,C9,C12,,,,,32698,bmse010373,1
13,covalent,DOUB,C9,C18,,,,,32698,bmse010373,1
14,covalent,DOUB,C10,C13,,,,,32698,bmse010373,1
15,covalent,SING,C10,C17,,,,,32698,bmse010373,1
16,covalent,SING,C11,C15,,,,,32698,bmse010373,1
17,covalent,DOUB,C11,O22,,,,,32698,bmse010373,1
18,covalent,SING,C13,C19,,,,,32698,bmse010373,1
19,covalent,SING,C14,C15,,,,,32698,bmse010373,1
20,covalent,DOUB,C14,C20,,,,,32698,bmse010373,1
21,covalent,SING,C15,C19,,,,,32698,bmse010373,1
22,covalent,DOUB,C16,C17,,,,,32698,bmse010373,1
23,covalent,SING,C16,O23,,,,,32698,bmse010373,1
24,covalent,SING,C17,O24,,,,,32698,bmse010373,1
25,covalent,SING,C18,C20,,,,,32698,bmse010373,1
26,covalent,SING,C18,O25,,,,,32698,bmse010373,1
27,covalent,SING,C19,O26,,,,,32698,bmse010373,1
28,covalent,SING,C20,O26,,,,,32698,bmse010373,1
29,covalent,SING,C1,H27,,,,,32698,bmse010373,1
30,covalent,SING,C1,H28,,,,,32698,bmse010373,1
31,covalent,SING,C1,H29,,,,,32698,bmse010373,1
32,covalent,SING,C2,H30,,,,,32698,bmse010373,1
33,covalent,SING,C2,H31,,,,,32698,bmse010373,1
34,covalent,SING,C2,H32,,,,,32698,bmse010373,1
35,covalent,SING,C3,H33,,,,,32698,bmse010373,1
36,covalent,SING,C4,H34,,,,,32698,bmse010373,1
37,covalent,SING,C5,H35,,,,,32698,bmse010373,1
38,covalent,SING,C6,H36,,,,,32698,bmse010373,1
39,covalent,SING,C7,H37,,,,,32698,bmse010373,1
40,covalent,SING,C8,H38,,,,,32698,bmse010373,1
41,covalent,SING,C9,H39,,,,,32698,bmse010373,1
42,covalent,SING,C10,H40,,,,,32698,bmse010373,1
43,covalent,SING,C11,H41,,,,,32698,bmse010373,1
44,covalent,SING,C15,H42,,,,,32698,bmse010373,1
45,covalent,SING,C19,H43,,,,,32698,bmse010373,1
46,covalent,SING,O23,H44,,,,,32698,bmse010373,1
1,covalent,SING,C1,O22,,,,,32712,bmse010374,1
2,covalent,SING,C2,O23,,,,,32712,bmse010374,1
3,covalent,DOUB,C3,C4,,,,,32712,bmse010374,1
4,covalent,SING,C3,C11,,,,,32712,bmse010374,1
5,covalent,SING,C4,C14,,,,,32712,bmse010374,1
6,covalent,DOUB,C5,C10,,,,,32712,bmse010374,1
7,covalent,SING,C5,C12,,,,,32712,bmse010374,1
8,covalent,SING,C6,C10,,,,,32712,bmse010374,1
9,covalent,DOUB,C6,C16,,,,,32712,bmse010374,1
10,covalent,DOUB,C7,C11,,,,,32712,bmse010374,1
11,covalent,SING,C7,C15,,,,,32712,bmse010374,1
12,covalent,SING,C8,C10,,,,,32712,bmse010374,1
13,covalent,DOUB,C8,O19,,,,,32712,bmse010374,1
14,covalent,SING,C9,C13,,,,,32712,bmse010374,1
15,covalent,SING,C9,O20,,,,,32712,bmse010374,1
16,covalent,SING,C11,C17,,,,,32712,bmse010374,1
17,covalent,SING,C12,C13,,,,,32712,bmse010374,1
18,covalent,DOUB,C12,C18,,,,,32712,bmse010374,1
19,covalent,SING,C13,C17,,,,,32712,bmse010374,1
20,covalent,DOUB,C14,C15,,,,,32712,bmse010374,1
21,covalent,SING,C14,O21,,,,,32712,bmse010374,1
22,covalent,SING,C15,O22,,,,,32712,bmse010374,1
23,covalent,SING,C16,C18,,,,,32712,bmse010374,1
24,covalent,SING,C16,O23,,,,,32712,bmse010374,1
25,covalent,SING,C17,O24,,,,,32712,bmse010374,1
26,covalent,SING,C18,O24,,,,,32712,bmse010374,1
27,covalent,SING,C1,H25,,,,,32712,bmse010374,1
28,covalent,SING,C1,H26,,,,,32712,bmse010374,1
29,covalent,SING,C1,H27,,,,,32712,bmse010374,1
30,covalent,SING,C2,H28,,,,,32712,bmse010374,1
31,covalent,SING,C2,H29,,,,,32712,bmse010374,1
32,covalent,SING,C2,H30,,,,,32712,bmse010374,1
33,covalent,SING,C3,H31,,,,,32712,bmse010374,1
34,covalent,SING,C4,H32,,,,,32712,bmse010374,1
35,covalent,SING,C5,H33,,,,,32712,bmse010374,1
36,covalent,SING,C6,H34,,,,,32712,bmse010374,1
37,covalent,SING,C7,H35,,,,,32712,bmse010374,1
38,covalent,SING,C8,H36,,,,,32712,bmse010374,1
39,covalent,SING,C9,H37,,,,,32712,bmse010374,1
40,covalent,SING,C9,H38,,,,,32712,bmse010374,1
41,covalent,SING,C13,H39,,,,,32712,bmse010374,1
42,covalent,SING,C17,H40,,,,,32712,bmse010374,1
43,covalent,SING,O20,H41,,,,,32712,bmse010374,1
44,covalent,SING,O21,H42,,,,,32712,bmse010374,1
1,covalent,SING,C1,O31,,,,,32726,bmse010375,1
2,covalent,SING,C2,O32,,,,,32726,bmse010375,1
3,covalent,SING,C3,O33,,,,,32726,bmse010375,1
4,covalent,DOUB,C4,C5,,,,,32726,bmse010375,1
5,covalent,SING,C4,C16,,,,,32726,bmse010375,1
6,covalent,SING,C5,C19,,,,,32726,bmse010375,1
7,covalent,DOUB,C6,C14,,,,,32726,bmse010375,1
8,covalent,SING,C6,C17,,,,,32726,bmse010375,1
9,covalent,DOUB,C7,C15,,,,,32726,bmse010375,1
10,covalent,SING,C7,C18,,,,,32726,bmse010375,1
11,covalent,SING,C8,C14,,,,,32726,bmse010375,1
12,covalent,DOUB,C8,C21,,,,,32726,bmse010375,1
13,covalent,SING,C9,C15,,,,,32726,bmse010375,1
14,covalent,DOUB,C9,C22,,,,,32726,bmse010375,1
15,covalent,DOUB,C10,C16,,,,,32726,bmse010375,1
16,covalent,SING,C10,C20,,,,,32726,bmse010375,1
17,covalent,SING,C11,C14,,,,,32726,bmse010375,1
18,covalent,DOUB,C11,O27,,,,,32726,bmse010375,1
19,covalent,SING,C12,C15,,,,,32726,bmse010375,1
20,covalent,DOUB,C12,O28,,,,,32726,bmse010375,1
21,covalent,SING,C13,C23,,,,,32726,bmse010375,1
22,covalent,SING,C13,O29,,,,,32726,bmse010375,1
23,covalent,SING,C16,C24,,,,,32726,bmse010375,1
24,covalent,SING,C17,C18,,,,,32726,bmse010375,1
25,covalent,DOUB,C17,C25,,,,,32726,bmse010375,1
26,covalent,DOUB,C18,C26,,,,,32726,bmse010375,1
27,covalent,DOUB,C19,C20,,,,,32726,bmse010375,1
28,covalent,SING,C19,O30,,,,,32726,bmse010375,1
29,covalent,SING,C20,O31,,,,,32726,bmse010375,1
30,covalent,SING,C21,C25,,,,,32726,bmse010375,1
31,covalent,SING,C21,O32,,,,,32726,bmse010375,1
32,covalent,SING,C22,C26,,,,,32726,bmse010375,1
33,covalent,SING,C22,O33,,,,,32726,bmse010375,1
34,covalent,SING,C23,C24,,,,,32726,bmse010375,1
35,covalent,SING,C23,O34,,,,,32726,bmse010375,1
36,covalent,SING,C24,O35,,,,,32726,bmse010375,1
37,covalent,SING,C25,O34,,,,,32726,bmse010375,1
38,covalent,SING,C26,O35,,,,,32726,bmse010375,1
39,covalent,SING,C1,H38,,,,,32726,bmse010375,1
40,covalent,SING,C1,H36,,,,,32726,bmse010375,1
41,covalent,SING,C1,H37,,,,,32726,bmse010375,1
42,covalent,SING,C2,H39,,,,,32726,bmse010375,1
43,covalent,SING,C2,H40,,,,,32726,bmse010375,1
44,covalent,SING,C2,H41,,,,,32726,bmse010375,1
45,covalent,SING,C3,H43,,,,,32726,bmse010375,1
46,covalent,SING,C3,H44,,,,,32726,bmse010375,1
47,covalent,SING,C3,H42,,,,,32726,bmse010375,1
48,covalent,SING,C4,H45,,,,,32726,bmse010375,1
49,covalent,SING,C5,H46,,,,,32726,bmse010375,1
50,covalent,SING,C6,H47,,,,,32726,bmse010375,1
51,covalent,SING,C7,H48,,,,,32726,bmse010375,1
52,covalent,SING,C8,H49,,,,,32726,bmse010375,1
53,covalent,SING,C9,H50,,,,,32726,bmse010375,1
54,covalent,SING,C10,H51,,,,,32726,bmse010375,1
55,covalent,SING,C11,H52,,,,,32726,bmse010375,1
56,covalent,SING,C12,H53,,,,,32726,bmse010375,1
57,covalent,SING,C13,H54,,,,,32726,bmse010375,1
58,covalent,SING,C13,H55,,,,,32726,bmse010375,1
59,covalent,SING,C23,H56,,,,,32726,bmse010375,1
60,covalent,SING,C24,H57,,,,,32726,bmse010375,1
61,covalent,SING,O29,H58,,,,,32726,bmse010375,1
62,covalent,SING,O30,H59,,,,,32726,bmse010375,1
1,covalent,SING,C1,O25,,,,,32740,bmse010376,1
2,covalent,SING,C2,O26,,,,,32740,bmse010376,1
3,covalent,SING,C3,O27,,,,,32740,bmse010376,1
4,covalent,DOUB,C4,C5,,,,,32740,bmse010376,1
5,covalent,SING,C4,C6,,,,,32740,bmse010376,1
6,covalent,SING,C5,C12,,,,,32740,bmse010376,1
7,covalent,SING,C6,O22,,,,,32740,bmse010376,1
8,covalent,DOUB,C7,C12,,,,,32740,bmse010376,1
9,covalent,SING,C7,C14,,,,,32740,bmse010376,1
10,covalent,SING,C8,C12,,,,,32740,bmse010376,1
11,covalent,DOUB,C8,C18,,,,,32740,bmse010376,1
12,covalent,DOUB,C9,C13,,,,,32740,bmse010376,1
13,covalent,SING,C9,C16,,,,,32740,bmse010376,1
14,covalent,SING,C10,C13,,,,,32740,bmse010376,1
15,covalent,DOUB,C10,C17,,,,,32740,bmse010376,1
16,covalent,SING,C11,C15,,,,,32740,bmse010376,1
17,covalent,SING,C11,O23,,,,,32740,bmse010376,1
18,covalent,SING,C13,C20,,,,,32740,bmse010376,1
19,covalent,SING,C14,C15,,,,,32740,bmse010376,1
20,covalent,DOUB,C14,C21,,,,,32740,bmse010376,1
21,covalent,SING,C15,C20,,,,,32740,bmse010376,1
22,covalent,DOUB,C16,C19,,,,,32740,bmse010376,1
23,covalent,SING,C16,O25,,,,,32740,bmse010376,1
24,covalent,SING,C17,C19,,,,,32740,bmse010376,1
25,covalent,SING,C17,O26,,,,,32740,bmse010376,1
26,covalent,SING,C18,C21,,,,,32740,bmse010376,1
27,covalent,SING,C18,O27,,,,,32740,bmse010376,1
28,covalent,SING,C19,O24,,,,,32740,bmse010376,1
29,covalent,SING,C20,O28,,,,,32740,bmse010376,1
30,covalent,SING,C21,O28,,,,,32740,bmse010376,1
31,covalent,SING,C1,H29,,,,,32740,bmse010376,1
32,covalent,SING,C1,H30,,,,,32740,bmse010376,1
33,covalent,SING,C1,H31,,,,,32740,bmse010376,1
34,covalent,SING,C2,H32,,,,,32740,bmse010376,1
35,covalent,SING,C2,H33,,,,,32740,bmse010376,1
36,covalent,SING,C2,H34,,,,,32740,bmse010376,1
37,covalent,SING,C3,H35,,,,,32740,bmse010376,1
38,covalent,SING,C3,H36,,,,,32740,bmse010376,1
39,covalent,SING,C3,H37,,,,,32740,bmse010376,1
40,covalent,SING,C4,H38,,,,,32740,bmse010376,1
41,covalent,SING,C5,H39,,,,,32740,bmse010376,1
42,covalent,SING,C6,H40,,,,,32740,bmse010376,1
43,covalent,SING,C6,H41,,,,,32740,bmse010376,1
44,covalent,SING,C7,H42,,,,,32740,bmse010376,1
45,covalent,SING,C8,H43,,,,,32740,bmse010376,1
46,covalent,SING,C9,H44,,,,,32740,bmse010376,1
47,covalent,SING,C10,H45,,,,,32740,bmse010376,1
48,covalent,SING,C11,H46,,,,,32740,bmse010376,1
49,covalent,SING,C11,H47,,,,,32740,bmse010376,1
50,covalent,SING,C15,H48,,,,,32740,bmse010376,1
51,covalent,SING,C20,H49,,,,,32740,bmse010376,1
52,covalent,SING,O22,H50,,,,,32740,bmse010376,1
53,covalent,SING,O23,H51,,,,,32740,bmse010376,1
54,covalent,SING,O24,H52,,,,,32740,bmse010376,1
1,covalent,SING,C1,O36,,,,,32754,bmse010377,1
2,covalent,SING,C2,O37,,,,,32754,bmse010377,1
3,covalent,SING,C3,O38,,,,,32754,bmse010377,1
4,covalent,SING,C4,O39,,,,,32754,bmse010377,1
5,covalent,DOUB,C5,C7,,,,,32754,bmse010377,1
6,covalent,SING,C5,C16,,,,,32754,bmse010377,1
7,covalent,DOUB,C6,C8,,,,,32754,bmse010377,1
8,covalent,SING,C6,C17,,,,,32754,bmse010377,1
9,covalent,SING,C7,C21,,,,,32754,bmse010377,1
10,covalent,SING,C8,C22,,,,,32754,bmse010377,1
11,covalent,DOUB,C9,C16,,,,,32754,bmse010377,1
12,covalent,SING,C9,C23,,,,,32754,bmse010377,1
13,covalent,DOUB,C10,C17,,,,,32754,bmse010377,1
14,covalent,SING,C10,C24,,,,,32754,bmse010377,1
15,covalent,DOUB,C11,C18,,,,,32754,bmse010377,1
16,covalent,SING,C11,C25,,,,,32754,bmse010377,1
17,covalent,SING,C12,C18,,,,,32754,bmse010377,1
18,covalent,DOUB,C12,C26,,,,,32754,bmse010377,1
19,covalent,SING,C13,C27,,,,,32754,bmse010377,1
20,covalent,SING,C13,O32,,,,,32754,bmse010377,1
21,covalent,SING,C14,C19,,,,,32754,bmse010377,1
22,covalent,SING,C14,O41,,,,,32754,bmse010377,1
23,covalent,SING,C15,C20,,,,,32754,bmse010377,1
24,covalent,SING,C15,O40,,,,,32754,bmse010377,1
25,covalent,SING,C16,C28,,,,,32754,bmse010377,1
26,covalent,SING,C17,C29,,,,,32754,bmse010377,1
27,covalent,SING,C18,C30,,,,,32754,bmse010377,1
28,covalent,SING,C19,C20,,,,,32754,bmse010377,1
29,covalent,SING,C19,C29,,,,,32754,bmse010377,1
30,covalent,SING,C20,C30,,,,,32754,bmse010377,1
31,covalent,DOUB,C21,C23,,,,,32754,bmse010377,1
32,covalent,SING,C21,O33,,,,,32754,bmse010377,1
33,covalent,DOUB,C22,C24,,,,,32754,bmse010377,1
34,covalent,SING,C22,O34,,,,,32754,bmse010377,1
35,covalent,SING,C23,O36,,,,,32754,bmse010377,1
36,covalent,SING,C24,O37,,,,,32754,bmse010377,1
37,covalent,DOUB,C25,C31,,,,,32754,bmse010377,1
38,covalent,SING,C25,O38,,,,,32754,bmse010377,1
39,covalent,SING,C26,C31,,,,,32754,bmse010377,1
40,covalent,SING,C26,O39,,,,,32754,bmse010377,1
41,covalent,SING,C27,C28,,,,,32754,bmse010377,1
42,covalent,SING,C27,O42,,,,,32754,bmse010377,1
43,covalent,SING,C28,O35,,,,,32754,bmse010377,1
44,covalent,SING,C29,O40,,,,,32754,bmse010377,1
45,covalent,SING,C30,O41,,,,,32754,bmse010377,1
46,covalent,SING,C31,O42,,,,,32754,bmse010377,1
47,covalent,SING,C1,H44,,,,,32754,bmse010377,1
48,covalent,SING,C1,H43,,,,,32754,bmse010377,1
49,covalent,SING,C1,H45,,,,,32754,bmse010377,1
50,covalent,SING,C2,H46,,,,,32754,bmse010377,1
51,covalent,SING,C2,H47,,,,,32754,bmse010377,1
52,covalent,SING,C2,H48,,,,,32754,bmse010377,1
53,covalent,SING,C3,H51,,,,,32754,bmse010377,1
54,covalent,SING,C3,H49,,,,,32754,bmse010377,1
55,covalent,SING,C3,H50,,,,,32754,bmse010377,1
56,covalent,SING,C4,H53,,,,,32754,bmse010377,1
57,covalent,SING,C4,H54,,,,,32754,bmse010377,1
58,covalent,SING,C4,H52,,,,,32754,bmse010377,1
59,covalent,SING,C5,H55,,,,,32754,bmse010377,1
60,covalent,SING,C6,H56,,,,,32754,bmse010377,1
61,covalent,SING,C7,H57,,,,,32754,bmse010377,1
62,covalent,SING,C8,H58,,,,,32754,bmse010377,1
63,covalent,SING,C9,H59,,,,,32754,bmse010377,1
64,covalent,SING,C10,H60,,,,,32754,bmse010377,1
65,covalent,SING,C11,H61,,,,,32754,bmse010377,1
66,covalent,SING,C12,H62,,,,,32754,bmse010377,1
67,covalent,SING,C13,H63,,,,,32754,bmse010377,1
68,covalent,SING,C13,H64,,,,,32754,bmse010377,1
69,covalent,SING,C14,H65,,,,,32754,bmse010377,1
70,covalent,SING,C14,H66,,,,,32754,bmse010377,1
71,covalent,SING,C15,H67,,,,,32754,bmse010377,1
72,covalent,SING,C15,H68,,,,,32754,bmse010377,1
73,covalent,SING,C19,H69,,,,,32754,bmse010377,1
74,covalent,SING,C20,H70,,,,,32754,bmse010377,1
75,covalent,SING,C27,H71,,,,,32754,bmse010377,1
76,covalent,SING,C28,H72,,,,,32754,bmse010377,1
77,covalent,SING,C29,H73,,,,,32754,bmse010377,1
78,covalent,SING,C30,H74,,,,,32754,bmse010377,1
79,covalent,SING,O32,H75,,,,,32754,bmse010377,1
80,covalent,SING,O33,H76,,,,,32754,bmse010377,1
81,covalent,SING,O34,H77,,,,,32754,bmse010377,1
82,covalent,SING,O35,H78,,,,,32754,bmse010377,1
1,covalent,SING,C1,O37,,,,,32768,bmse010378,1
2,covalent,SING,C2,O38,,,,,32768,bmse010378,1
3,covalent,SING,C3,O39,,,,,32768,bmse010378,1
4,covalent,SING,C4,O40,,,,,32768,bmse010378,1
5,covalent,DOUB,C5,C6,,,,,32768,bmse010378,1
6,covalent,SING,C5,C9,,,,,32768,bmse010378,1
7,covalent,SING,C6,C17,,,,,32768,bmse010378,1
8,covalent,DOUB,C7,C8,,,,,32768,bmse010378,1
9,covalent,SING,C7,C18,,,,,32768,bmse010378,1
10,covalent,SING,C8,C22,,,,,32768,bmse010378,1
11,covalent,DOUB,C9,O32,,,,,32768,bmse010378,1
12,covalent,DOUB,C10,C17,,,,,32768,bmse010378,1
13,covalent,SING,C10,C20,,,,,32768,bmse010378,1
14,covalent,SING,C11,C17,,,,,32768,bmse010378,1
15,covalent,DOUB,C11,C24,,,,,32768,bmse010378,1
16,covalent,DOUB,C12,C18,,,,,32768,bmse010378,1
17,covalent,SING,C12,C23,,,,,32768,bmse010378,1
18,covalent,DOUB,C13,C19,,,,,32768,bmse010378,1
19,covalent,SING,C13,C25,,,,,32768,bmse010378,1
20,covalent,SING,C14,C19,,,,,32768,bmse010378,1
21,covalent,DOUB,C14,C26,,,,,32768,bmse010378,1
22,covalent,SING,C15,C21,,,,,32768,bmse010378,1
23,covalent,SING,C15,O33,,,,,32768,bmse010378,1
24,covalent,SING,C16,C27,,,,,32768,bmse010378,1
25,covalent,SING,C16,O34,,,,,32768,bmse010378,1
26,covalent,SING,C18,C28,,,,,32768,bmse010378,1
27,covalent,SING,C19,C29,,,,,32768,bmse010378,1
28,covalent,SING,C20,C21,,,,,32768,bmse010378,1
29,covalent,DOUB,C20,C30,,,,,32768,bmse010378,1
30,covalent,SING,C21,C29,,,,,32768,bmse010378,1
31,covalent,DOUB,C22,C23,,,,,32768,bmse010378,1
32,covalent,SING,C22,O35,,,,,32768,bmse010378,1
33,covalent,SING,C23,O37,,,,,32768,bmse010378,1
34,covalent,SING,C24,C30,,,,,32768,bmse010378,1
35,covalent,SING,C24,O38,,,,,32768,bmse010378,1
36,covalent,DOUB,C25,C31,,,,,32768,bmse010378,1
37,covalent,SING,C25,O39,,,,,32768,bmse010378,1
38,covalent,SING,C26,C31,,,,,32768,bmse010378,1
39,covalent,SING,C26,O40,,,,,32768,bmse010378,1
40,covalent,SING,C27,C28,,,,,32768,bmse010378,1
41,covalent,SING,C27,O41,,,,,32768,bmse010378,1
42,covalent,SING,C28,O36,,,,,32768,bmse010378,1
43,covalent,SING,C29,O42,,,,,32768,bmse010378,1
44,covalent,SING,C30,O42,,,,,32768,bmse010378,1
45,covalent,SING,C31,O41,,,,,32768,bmse010378,1
46,covalent,SING,C1,H45,,,,,32768,bmse010378,1
47,covalent,SING,C1,H43,,,,,32768,bmse010378,1
48,covalent,SING,C1,H44,,,,,32768,bmse010378,1
49,covalent,SING,C2,H46,,,,,32768,bmse010378,1
50,covalent,SING,C2,H47,,,,,32768,bmse010378,1
51,covalent,SING,C2,H48,,,,,32768,bmse010378,1
52,covalent,SING,C3,H49,,,,,32768,bmse010378,1
53,covalent,SING,C3,H51,,,,,32768,bmse010378,1
54,covalent,SING,C3,H50,,,,,32768,bmse010378,1
55,covalent,SING,C4,H52,,,,,32768,bmse010378,1
56,covalent,SING,C4,H53,,,,,32768,bmse010378,1
57,covalent,SING,C4,H54,,,,,32768,bmse010378,1
58,covalent,SING,C5,H55,,,,,32768,bmse010378,1
59,covalent,SING,C6,H56,,,,,32768,bmse010378,1
60,covalent,SING,C7,H57,,,,,32768,bmse010378,1
61,covalent,SING,C8,H58,,,,,32768,bmse010378,1
62,covalent,SING,C9,H59,,,,,32768,bmse010378,1
63,covalent,SING,C10,H60,,,,,32768,bmse010378,1
64,covalent,SING,C11,H61,,,,,32768,bmse010378,1
65,covalent,SING,C12,H62,,,,,32768,bmse010378,1
66,covalent,SING,C13,H63,,,,,32768,bmse010378,1
67,covalent,SING,C14,H64,,,,,32768,bmse010378,1
68,covalent,SING,C15,H65,,,,,32768,bmse010378,1
69,covalent,SING,C15,H66,,,,,32768,bmse010378,1
70,covalent,SING,C16,H67,,,,,32768,bmse010378,1
71,covalent,SING,C16,H68,,,,,32768,bmse010378,1
72,covalent,SING,C21,H69,,,,,32768,bmse010378,1
73,covalent,SING,C27,H70,,,,,32768,bmse010378,1
74,covalent,SING,C28,H71,,,,,32768,bmse010378,1
75,covalent,SING,C29,H72,,,,,32768,bmse010378,1
76,covalent,SING,O33,H73,,,,,32768,bmse010378,1
77,covalent,SING,O34,H74,,,,,32768,bmse010378,1
78,covalent,SING,O35,H75,,,,,32768,bmse010378,1
79,covalent,SING,O36,H76,,,,,32768,bmse010378,1
1,covalent,SING,C1,O35,,,,,32782,bmse010379,1
2,covalent,SING,C2,O36,,,,,32782,bmse010379,1
3,covalent,SING,C3,O37,,,,,32782,bmse010379,1
4,covalent,SING,C4,O38,,,,,32782,bmse010379,1
5,covalent,SING,C5,C7,,,,,32782,bmse010379,1
6,covalent,DOUB,C5,C15,,,,,32782,bmse010379,1
7,covalent,DOUB,C6,C8,,,,,32782,bmse010379,1
8,covalent,SING,C6,C15,,,,,32782,bmse010379,1
9,covalent,DOUB,C7,C18,,,,,32782,bmse010379,1
10,covalent,SING,C8,C18,,,,,32782,bmse010379,1
11,covalent,DOUB,C9,C16,,,,,32782,bmse010379,1
12,covalent,SING,C9,C21,,,,,32782,bmse010379,1
13,covalent,SING,C10,C16,,,,,32782,bmse010379,1
14,covalent,DOUB,C10,C22,,,,,32782,bmse010379,1
15,covalent,DOUB,C11,C17,,,,,32782,bmse010379,1
16,covalent,SING,C11,C23,,,,,32782,bmse010379,1
17,covalent,SING,C12,C17,,,,,32782,bmse010379,1
18,covalent,DOUB,C12,C24,,,,,32782,bmse010379,1
19,covalent,SING,C13,C19,,,,,32782,bmse010379,1
20,covalent,SING,C13,O39,,,,,32782,bmse010379,1
21,covalent,SING,C14,C20,,,,,32782,bmse010379,1
22,covalent,SING,C14,O40,,,,,32782,bmse010379,1
23,covalent,SING,C15,C29,,,,,32782,bmse010379,1
24,covalent,SING,C16,C25,,,,,32782,bmse010379,1
25,covalent,SING,C17,C28,,,,,32782,bmse010379,1
26,covalent,SING,C18,O30,,,,,32782,bmse010379,1
27,covalent,SING,C19,C20,,,,,32782,bmse010379,1
28,covalent,SING,C19,C25,,,,,32782,bmse010379,1
29,covalent,SING,C20,C28,,,,,32782,bmse010379,1
30,covalent,DOUB,C21,C26,,,,,32782,bmse010379,1
31,covalent,SING,C21,O35,,,,,32782,bmse010379,1
32,covalent,SING,C22,C26,,,,,32782,bmse010379,1
33,covalent,SING,C22,O36,,,,,32782,bmse010379,1
34,covalent,DOUB,C23,C27,,,,,32782,bmse010379,1
35,covalent,SING,C23,O37,,,,,32782,bmse010379,1
36,covalent,SING,C24,C27,,,,,32782,bmse010379,1
37,covalent,SING,C24,O38,,,,,32782,bmse010379,1
38,covalent,SING,C25,O31,,,,,32782,bmse010379,1
39,covalent,SING,C26,O32,,,,,32782,bmse010379,1
40,covalent,SING,C27,O33,,,,,32782,bmse010379,1
41,covalent,SING,C28,O39,,,,,32782,bmse010379,1
42,covalent,DOUB,C29,O34,,,,,32782,bmse010379,1
43,covalent,SING,C29,O40,,,,,32782,bmse010379,1
44,covalent,SING,C1,H41,,,,,32782,bmse010379,1
45,covalent,SING,C1,H42,,,,,32782,bmse010379,1
46,covalent,SING,C1,H43,,,,,32782,bmse010379,1
47,covalent,SING,C2,H46,,,,,32782,bmse010379,1
48,covalent,SING,C2,H45,,,,,32782,bmse010379,1
49,covalent,SING,C2,H44,,,,,32782,bmse010379,1
50,covalent,SING,C3,H49,,,,,32782,bmse010379,1
51,covalent,SING,C3,H48,,,,,32782,bmse010379,1
52,covalent,SING,C3,H47,,,,,32782,bmse010379,1
53,covalent,SING,C4,H51,,,,,32782,bmse010379,1
54,covalent,SING,C4,H50,,,,,32782,bmse010379,1
55,covalent,SING,C4,H52,,,,,32782,bmse010379,1
56,covalent,SING,C5,H53,,,,,32782,bmse010379,1
57,covalent,SING,C6,H54,,,,,32782,bmse010379,1
58,covalent,SING,C7,H55,,,,,32782,bmse010379,1
59,covalent,SING,C8,H56,,,,,32782,bmse010379,1
60,covalent,SING,C9,H57,,,,,32782,bmse010379,1
61,covalent,SING,C10,H58,,,,,32782,bmse010379,1
62,covalent,SING,C11,H59,,,,,32782,bmse010379,1
63,covalent,SING,C12,H60,,,,,32782,bmse010379,1
64,covalent,SING,C13,H61,,,,,32782,bmse010379,1
65,covalent,SING,C13,H62,,,,,32782,bmse010379,1
66,covalent,SING,C14,H63,,,,,32782,bmse010379,1
67,covalent,SING,C14,H64,,,,,32782,bmse010379,1
68,covalent,SING,C19,H65,,,,,32782,bmse010379,1
69,covalent,SING,C20,H66,,,,,32782,bmse010379,1
70,covalent,SING,C25,H67,,,,,32782,bmse010379,1
71,covalent,SING,C28,H68,,,,,32782,bmse010379,1
72,covalent,SING,O30,H69,,,,,32782,bmse010379,1
73,covalent,SING,O31,H70,,,,,32782,bmse010379,1
74,covalent,SING,O32,H71,,,,,32782,bmse010379,1
75,covalent,SING,O33,H72,,,,,32782,bmse010379,1
1,covalent,SING,C1,O26,,,,,32796,bmse010380,1
2,covalent,SING,C2,O27,,,,,32796,bmse010380,1
3,covalent,SING,C3,O28,,,,,32796,bmse010380,1
4,covalent,DOUB,C4,C5,,,,,32796,bmse010380,1
5,covalent,SING,C4,C8,,,,,32796,bmse010380,1
6,covalent,SING,C5,C13,,,,,32796,bmse010380,1
7,covalent,DOUB,C6,C7,,,,,32796,bmse010380,1
8,covalent,SING,C6,C14,,,,,32796,bmse010380,1
9,covalent,SING,C7,C15,,,,,32796,bmse010380,1
10,covalent,SING,C8,O22,,,,,32796,bmse010380,1
11,covalent,DOUB,C9,C13,,,,,32796,bmse010380,1
12,covalent,SING,C9,C17,,,,,32796,bmse010380,1
13,covalent,SING,C10,C13,,,,,32796,bmse010380,1
14,covalent,DOUB,C10,C18,,,,,32796,bmse010380,1
15,covalent,DOUB,C11,C14,,,,,32796,bmse010380,1
16,covalent,SING,C11,C16,,,,,32796,bmse010380,1
17,covalent,SING,C12,C19,,,,,32796,bmse010380,1
18,covalent,SING,C12,O23,,,,,32796,bmse010380,1
19,covalent,SING,C14,C20,,,,,32796,bmse010380,1
20,covalent,DOUB,C15,C16,,,,,32796,bmse010380,1
21,covalent,SING,C15,O24,,,,,32796,bmse010380,1
22,covalent,SING,C16,O26,,,,,32796,bmse010380,1
23,covalent,DOUB,C17,C21,,,,,32796,bmse010380,1
24,covalent,SING,C17,O27,,,,,32796,bmse010380,1
25,covalent,SING,C18,C21,,,,,32796,bmse010380,1
26,covalent,SING,C18,O28,,,,,32796,bmse010380,1
27,covalent,SING,C19,C20,,,,,32796,bmse010380,1
28,covalent,SING,C19,O29,,,,,32796,bmse010380,1
29,covalent,SING,C20,O25,,,,,32796,bmse010380,1
30,covalent,SING,C21,O29,,,,,32796,bmse010380,1
31,covalent,SING,C1,H30,,,,,32796,bmse010380,1
32,covalent,SING,C1,H31,,,,,32796,bmse010380,1
33,covalent,SING,C1,H32,,,,,32796,bmse010380,1
34,covalent,SING,C2,H33,,,,,32796,bmse010380,1
35,covalent,SING,C2,H34,,,,,32796,bmse010380,1
36,covalent,SING,C2,H35,,,,,32796,bmse010380,1
37,covalent,SING,C3,H36,,,,,32796,bmse010380,1
38,covalent,SING,C3,H37,,,,,32796,bmse010380,1
39,covalent,SING,C3,H38,,,,,32796,bmse010380,1
40,covalent,SING,C4,H39,,,,,32796,bmse010380,1
41,covalent,SING,C5,H40,,,,,32796,bmse010380,1
42,covalent,SING,C6,H41,,,,,32796,bmse010380,1
43,covalent,SING,C7,H42,,,,,32796,bmse010380,1
44,covalent,SING,C8,H43,,,,,32796,bmse010380,1
45,covalent,SING,C8,H44,,,,,32796,bmse010380,1
46,covalent,SING,C9,H45,,,,,32796,bmse010380,1
47,covalent,SING,C10,H46,,,,,32796,bmse010380,1
48,covalent,SING,C11,H47,,,,,32796,bmse010380,1
49,covalent,SING,C12,H48,,,,,32796,bmse010380,1
50,covalent,SING,C12,H49,,,,,32796,bmse010380,1
51,covalent,SING,C19,H50,,,,,32796,bmse010380,1
52,covalent,SING,C20,H51,,,,,32796,bmse010380,1
53,covalent,SING,O22,H52,,,,,32796,bmse010380,1
54,covalent,SING,O23,H53,,,,,32796,bmse010380,1
55,covalent,SING,O24,H54,,,,,32796,bmse010380,1
56,covalent,SING,O25,H55,,,,,32796,bmse010380,1
1,covalent,SING,C1,O24,,,,,32810,bmse010381,1
2,covalent,SING,C2,O25,,,,,32810,bmse010381,1
3,covalent,DOUB,C3,C4,,,,,32810,bmse010381,1
4,covalent,SING,C3,C7,,,,,32810,bmse010381,1
5,covalent,SING,C4,C12,,,,,32810,bmse010381,1
6,covalent,DOUB,C5,C6,,,,,32810,bmse010381,1
7,covalent,SING,C5,C13,,,,,32810,bmse010381,1
8,covalent,SING,C6,C14,,,,,32810,bmse010381,1
9,covalent,SING,C7,O21,,,,,32810,bmse010381,1
10,covalent,DOUB,C8,C12,,,,,32810,bmse010381,1
11,covalent,SING,C8,C16,,,,,32810,bmse010381,1
12,covalent,SING,C9,C12,,,,,32810,bmse010381,1
13,covalent,DOUB,C9,C17,,,,,32810,bmse010381,1
14,covalent,DOUB,C10,C13,,,,,32810,bmse010381,1
15,covalent,SING,C10,C15,,,,,32810,bmse010381,1
16,covalent,SING,C11,C18,,,,,32810,bmse010381,1
17,covalent,SING,C11,O22,,,,,32810,bmse010381,1
18,covalent,SING,C13,C19,,,,,32810,bmse010381,1
19,covalent,DOUB,C14,C15,,,,,32810,bmse010381,1
20,covalent,SING,C14,O23,,,,,32810,bmse010381,1
21,covalent,SING,C15,O24,,,,,32810,bmse010381,1
22,covalent,DOUB,C16,C20,,,,,32810,bmse010381,1
23,covalent,SING,C16,O25,,,,,32810,bmse010381,1
24,covalent,SING,C17,C20,,,,,32810,bmse010381,1
25,covalent,SING,C17,O26,,,,,32810,bmse010381,1
26,covalent,SING,C18,C19,,,,,32810,bmse010381,1
27,covalent,SING,C18,O27,,,,,32810,bmse010381,1
28,covalent,SING,C19,O26,,,,,32810,bmse010381,1
29,covalent,SING,C20,O27,,,,,32810,bmse010381,1
30,covalent,SING,C1,H28,,,,,32810,bmse010381,1
31,covalent,SING,C1,H29,,,,,32810,bmse010381,1
32,covalent,SING,C1,H30,,,,,32810,bmse010381,1
33,covalent,SING,C2,H31,,,,,32810,bmse010381,1
34,covalent,SING,C2,H32,,,,,32810,bmse010381,1
35,covalent,SING,C2,H33,,,,,32810,bmse010381,1
36,covalent,SING,C3,H34,,,,,32810,bmse010381,1
37,covalent,SING,C4,H35,,,,,32810,bmse010381,1
38,covalent,SING,C5,H36,,,,,32810,bmse010381,1
39,covalent,SING,C6,H37,,,,,32810,bmse010381,1
40,covalent,SING,C7,H38,,,,,32810,bmse010381,1
41,covalent,SING,C7,H39,,,,,32810,bmse010381,1
42,covalent,SING,C8,H40,,,,,32810,bmse010381,1
43,covalent,SING,C9,H41,,,,,32810,bmse010381,1
44,covalent,SING,C10,H42,,,,,32810,bmse010381,1
45,covalent,SING,C11,H43,,,,,32810,bmse010381,1
46,covalent,SING,C11,H44,,,,,32810,bmse010381,1
47,covalent,SING,C18,H45,,,,,32810,bmse010381,1
48,covalent,SING,C19,H46,,,,,32810,bmse010381,1
49,covalent,SING,O21,H47,,,,,32810,bmse010381,1
50,covalent,SING,O22,H48,,,,,32810,bmse010381,1
51,covalent,SING,O23,H49,,,,,32810,bmse010381,1
1,covalent,SING,C1,O24,,,,,32824,bmse010382,1
2,covalent,SING,C2,O25,,,,,32824,bmse010382,1
3,covalent,DOUB,C3,C4,,,,,32824,bmse010382,1
4,covalent,SING,C3,C7,,,,,32824,bmse010382,1
5,covalent,SING,C4,C12,,,,,32824,bmse010382,1
6,covalent,DOUB,C5,C6,,,,,32824,bmse010382,1
7,covalent,SING,C5,C13,,,,,32824,bmse010382,1
8,covalent,SING,C6,C14,,,,,32824,bmse010382,1
9,covalent,DOUB,C7,O21,,,,,32824,bmse010382,1
10,covalent,DOUB,C8,C12,,,,,32824,bmse010382,1
11,covalent,SING,C8,C16,,,,,32824,bmse010382,1
12,covalent,SING,C9,C12,,,,,32824,bmse010382,1
13,covalent,DOUB,C9,C17,,,,,32824,bmse010382,1
14,covalent,DOUB,C10,C13,,,,,32824,bmse010382,1
15,covalent,SING,C10,C15,,,,,32824,bmse010382,1
16,covalent,SING,C11,C18,,,,,32824,bmse010382,1
17,covalent,SING,C11,O22,,,,,32824,bmse010382,1
18,covalent,SING,C13,C19,,,,,32824,bmse010382,1
19,covalent,DOUB,C14,C15,,,,,32824,bmse010382,1
20,covalent,SING,C14,O23,,,,,32824,bmse010382,1
21,covalent,SING,C15,O24,,,,,32824,bmse010382,1
22,covalent,DOUB,C16,C20,,,,,32824,bmse010382,1
23,covalent,SING,C16,O25,,,,,32824,bmse010382,1
24,covalent,SING,C17,C20,,,,,32824,bmse010382,1
25,covalent,SING,C17,O26,,,,,32824,bmse010382,1
26,covalent,SING,C18,C19,,,,,32824,bmse010382,1
27,covalent,SING,C18,O27,,,,,32824,bmse010382,1
28,covalent,SING,C19,O26,,,,,32824,bmse010382,1
29,covalent,SING,C20,O27,,,,,32824,bmse010382,1
30,covalent,SING,C1,H28,,,,,32824,bmse010382,1
31,covalent,SING,C1,H29,,,,,32824,bmse010382,1
32,covalent,SING,C1,H30,,,,,32824,bmse010382,1
33,covalent,SING,C2,H31,,,,,32824,bmse010382,1
34,covalent,SING,C2,H32,,,,,32824,bmse010382,1
35,covalent,SING,C2,H33,,,,,32824,bmse010382,1
36,covalent,SING,C3,H34,,,,,32824,bmse010382,1
37,covalent,SING,C4,H35,,,,,32824,bmse010382,1
38,covalent,SING,C5,H36,,,,,32824,bmse010382,1
39,covalent,SING,C6,H37,,,,,32824,bmse010382,1
40,covalent,SING,C7,H38,,,,,32824,bmse010382,1
41,covalent,SING,C8,H39,,,,,32824,bmse010382,1
42,covalent,SING,C9,H40,,,,,32824,bmse010382,1
43,covalent,SING,C10,H41,,,,,32824,bmse010382,1
44,covalent,SING,C11,H42,,,,,32824,bmse010382,1
45,covalent,SING,C11,H43,,,,,32824,bmse010382,1
46,covalent,SING,C18,H44,,,,,32824,bmse010382,1
47,covalent,SING,C19,H45,,,,,32824,bmse010382,1
48,covalent,SING,O22,H46,,,,,32824,bmse010382,1
49,covalent,SING,O23,H47,,,,,32824,bmse010382,1
1,covalent,SING,C1,C4,,,,,32838,bmse010383,1
2,covalent,SING,C2,O26,,,,,32838,bmse010383,1
3,covalent,SING,C3,O27,,,,,32838,bmse010383,1
4,covalent,SING,C4,O28,,,,,32838,bmse010383,1
5,covalent,DOUB,C5,C8,,,,,32838,bmse010383,1
6,covalent,SING,C5,C13,,,,,32838,bmse010383,1
7,covalent,DOUB,C6,C7,,,,,32838,bmse010383,1
8,covalent,SING,C6,C14,,,,,32838,bmse010383,1
9,covalent,SING,C7,C15,,,,,32838,bmse010383,1
10,covalent,SING,C8,C20,,,,,32838,bmse010383,1
11,covalent,DOUB,C9,C13,,,,,32838,bmse010383,1
12,covalent,SING,C9,C17,,,,,32838,bmse010383,1
13,covalent,SING,C10,C13,,,,,32838,bmse010383,1
14,covalent,DOUB,C10,C18,,,,,32838,bmse010383,1
15,covalent,DOUB,C11,C14,,,,,32838,bmse010383,1
16,covalent,SING,C11,C16,,,,,32838,bmse010383,1
17,covalent,SING,C12,C19,,,,,32838,bmse010383,1
18,covalent,SING,C12,O23,,,,,32838,bmse010383,1
19,covalent,SING,C14,C21,,,,,32838,bmse010383,1
20,covalent,DOUB,C15,C16,,,,,32838,bmse010383,1
21,covalent,SING,C15,O24,,,,,32838,bmse010383,1
22,covalent,SING,C16,O26,,,,,32838,bmse010383,1
23,covalent,DOUB,C17,C22,,,,,32838,bmse010383,1
24,covalent,SING,C17,O27,,,,,32838,bmse010383,1
25,covalent,SING,C18,C22,,,,,32838,bmse010383,1
26,covalent,SING,C18,O29,,,,,32838,bmse010383,1
27,covalent,SING,C19,C21,,,,,32838,bmse010383,1
28,covalent,SING,C19,O30,,,,,32838,bmse010383,1
29,covalent,DOUB,C20,O25,,,,,32838,bmse010383,1
30,covalent,SING,C20,O28,,,,,32838,bmse010383,1
31,covalent,SING,C21,O29,,,,,32838,bmse010383,1
32,covalent,SING,C22,O30,,,,,32838,bmse010383,1
33,covalent,SING,C1,H31,,,,,32838,bmse010383,1
34,covalent,SING,C1,H32,,,,,32838,bmse010383,1
35,covalent,SING,C1,H33,,,,,32838,bmse010383,1
36,covalent,SING,C2,H34,,,,,32838,bmse010383,1
37,covalent,SING,C2,H35,,,,,32838,bmse010383,1
38,covalent,SING,C2,H36,,,,,32838,bmse010383,1
39,covalent,SING,C3,H37,,,,,32838,bmse010383,1
40,covalent,SING,C3,H38,,,,,32838,bmse010383,1
41,covalent,SING,C3,H39,,,,,32838,bmse010383,1
42,covalent,SING,C4,H40,,,,,32838,bmse010383,1
43,covalent,SING,C4,H41,,,,,32838,bmse010383,1
44,covalent,SING,C5,H42,,,,,32838,bmse010383,1
45,covalent,SING,C6,H43,,,,,32838,bmse010383,1
46,covalent,SING,C7,H44,,,,,32838,bmse010383,1
47,covalent,SING,C8,H45,,,,,32838,bmse010383,1
48,covalent,SING,C9,H46,,,,,32838,bmse010383,1
49,covalent,SING,C10,H47,,,,,32838,bmse010383,1
50,covalent,SING,C11,H48,,,,,32838,bmse010383,1
51,covalent,SING,C12,H49,,,,,32838,bmse010383,1
52,covalent,SING,C12,H50,,,,,32838,bmse010383,1
53,covalent,SING,C19,H51,,,,,32838,bmse010383,1
54,covalent,SING,C21,H52,,,,,32838,bmse010383,1
55,covalent,SING,O23,H53,,,,,32838,bmse010383,1
56,covalent,SING,O24,H54,,,,,32838,bmse010383,1
1,covalent,SING,C1,C14,,,,,32852,bmse010384,1
2,covalent,SING,C2,O28,,,,,32852,bmse010384,1
3,covalent,SING,C3,O29,,,,,32852,bmse010384,1
4,covalent,SING,C4,O30,,,,,32852,bmse010384,1
5,covalent,DOUB,C5,C6,,,,,32852,bmse010384,1
6,covalent,SING,C5,C9,,,,,32852,bmse010384,1
7,covalent,SING,C6,C15,,,,,32852,bmse010384,1
8,covalent,DOUB,C7,C8,,,,,32852,bmse010384,1
9,covalent,SING,C7,C16,,,,,32852,bmse010384,1
10,covalent,SING,C8,C17,,,,,32852,bmse010384,1
11,covalent,DOUB,C9,O24,,,,,32852,bmse010384,1
12,covalent,DOUB,C10,C15,,,,,32852,bmse010384,1
13,covalent,SING,C10,C19,,,,,32852,bmse010384,1
14,covalent,SING,C11,C15,,,,,32852,bmse010384,1
15,covalent,DOUB,C11,C20,,,,,32852,bmse010384,1
16,covalent,DOUB,C12,C16,,,,,32852,bmse010384,1
17,covalent,SING,C12,C18,,,,,32852,bmse010384,1
18,covalent,SING,C13,C21,,,,,32852,bmse010384,1
19,covalent,SING,C13,O31,,,,,32852,bmse010384,1
20,covalent,DOUB,C14,O25,,,,,32852,bmse010384,1
21,covalent,SING,C14,O31,,,,,32852,bmse010384,1
22,covalent,SING,C16,C22,,,,,32852,bmse010384,1
23,covalent,DOUB,C17,C18,,,,,32852,bmse010384,1
24,covalent,SING,C17,O26,,,,,32852,bmse010384,1
25,covalent,SING,C18,O28,,,,,32852,bmse010384,1
26,covalent,DOUB,C19,C23,,,,,32852,bmse010384,1
27,covalent,SING,C19,O29,,,,,32852,bmse010384,1
28,covalent,SING,C20,C23,,,,,32852,bmse010384,1
29,covalent,SING,C20,O30,,,,,32852,bmse010384,1
30,covalent,SING,C21,C22,,,,,32852,bmse010384,1
31,covalent,SING,C21,O32,,,,,32852,bmse010384,1
32,covalent,SING,C22,O27,,,,,32852,bmse010384,1
33,covalent,SING,C23,O32,,,,,32852,bmse010384,1
34,covalent,SING,C1,H34,,,,,32852,bmse010384,1
35,covalent,SING,C1,H35,,,,,32852,bmse010384,1
36,covalent,SING,C1,H33,,,,,32852,bmse010384,1
37,covalent,SING,C2,H36,,,,,32852,bmse010384,1
38,covalent,SING,C2,H37,,,,,32852,bmse010384,1
39,covalent,SING,C2,H38,,,,,32852,bmse010384,1
40,covalent,SING,C3,H39,,,,,32852,bmse010384,1
41,covalent,SING,C3,H40,,,,,32852,bmse010384,1
42,covalent,SING,C3,H41,,,,,32852,bmse010384,1
43,covalent,SING,C4,H44,,,,,32852,bmse010384,1
44,covalent,SING,C4,H42,,,,,32852,bmse010384,1
45,covalent,SING,C4,H43,,,,,32852,bmse010384,1
46,covalent,SING,C5,H45,,,,,32852,bmse010384,1
47,covalent,SING,C6,H46,,,,,32852,bmse010384,1
48,covalent,SING,C7,H47,,,,,32852,bmse010384,1
49,covalent,SING,C8,H48,,,,,32852,bmse010384,1
50,covalent,SING,C9,H49,,,,,32852,bmse010384,1
51,covalent,SING,C10,H50,,,,,32852,bmse010384,1
52,covalent,SING,C11,H51,,,,,32852,bmse010384,1
53,covalent,SING,C12,H52,,,,,32852,bmse010384,1
54,covalent,SING,C13,H53,,,,,32852,bmse010384,1
55,covalent,SING,C13,H54,,,,,32852,bmse010384,1
56,covalent,SING,C21,H55,,,,,32852,bmse010384,1
57,covalent,SING,C22,H56,,,,,32852,bmse010384,1
58,covalent,SING,O26,H57,,,,,32852,bmse010384,1
59,covalent,SING,O27,H58,,,,,32852,bmse010384,1
1,covalent,SING,C1,C14,,,,,32866,bmse010385,1
2,covalent,SING,C2,C15,,,,,32866,bmse010385,1
3,covalent,SING,C3,O25,,,,,32866,bmse010385,1
4,covalent,SING,C4,O26,,,,,32866,bmse010385,1
5,covalent,SING,C5,O27,,,,,32866,bmse010385,1
6,covalent,DOUB,C6,C7,,,,,32866,bmse010385,1
7,covalent,SING,C6,C8,,,,,32866,bmse010385,1
8,covalent,SING,C7,C9,,,,,32866,bmse010385,1
9,covalent,DOUB,C8,C17,,,,,32866,bmse010385,1
10,covalent,DOUB,C9,C19,,,,,32866,bmse010385,1
11,covalent,DOUB,C10,C11,,,,,32866,bmse010385,1
12,covalent,SING,C10,C16,,,,,32866,bmse010385,1
13,covalent,SING,C11,C18,,,,,32866,bmse010385,1
14,covalent,DOUB,C12,C16,,,,,32866,bmse010385,1
15,covalent,SING,C12,C20,,,,,32866,bmse010385,1
16,covalent,SING,C13,C21,,,,,32866,bmse010385,1
17,covalent,SING,C13,O28,,,,,32866,bmse010385,1
18,covalent,DOUB,C14,O23,,,,,32866,bmse010385,1
19,covalent,SING,C14,O28,,,,,32866,bmse010385,1
20,covalent,DOUB,C15,O24,,,,,32866,bmse010385,1
21,covalent,SING,C15,O29,,,,,32866,bmse010385,1
22,covalent,SING,C16,C22,,,,,32866,bmse010385,1
23,covalent,SING,C17,C19,,,,,32866,bmse010385,1
24,covalent,SING,C17,O25,,,,,32866,bmse010385,1
25,covalent,DOUB,C18,C20,,,,,32866,bmse010385,1
26,covalent,SING,C18,O26,,,,,32866,bmse010385,1
27,covalent,SING,C19,O30,,,,,32866,bmse010385,1
28,covalent,SING,C20,O27,,,,,32866,bmse010385,1
29,covalent,SING,C21,C22,,,,,32866,bmse010385,1
30,covalent,SING,C21,O30,,,,,32866,bmse010385,1
31,covalent,SING,C22,O29,,,,,32866,bmse010385,1
32,covalent,SING,C1,H31,,,,,32866,bmse010385,1
33,covalent,SING,C1,H32,,,,,32866,bmse010385,1
34,covalent,SING,C1,H33,,,,,32866,bmse010385,1
35,covalent,SING,C2,H34,,,,,32866,bmse010385,1
36,covalent,SING,C2,H35,,,,,32866,bmse010385,1
37,covalent,SING,C2,H36,,,,,32866,bmse010385,1
38,covalent,SING,C3,H37,,,,,32866,bmse010385,1
39,covalent,SING,C3,H38,,,,,32866,bmse010385,1
40,covalent,SING,C3,H39,,,,,32866,bmse010385,1
41,covalent,SING,C4,H40,,,,,32866,bmse010385,1
42,covalent,SING,C4,H41,,,,,32866,bmse010385,1
43,covalent,SING,C4,H42,,,,,32866,bmse010385,1
44,covalent,SING,C5,H43,,,,,32866,bmse010385,1
45,covalent,SING,C5,H44,,,,,32866,bmse010385,1
46,covalent,SING,C5,H45,,,,,32866,bmse010385,1
47,covalent,SING,C6,H46,,,,,32866,bmse010385,1
48,covalent,SING,C7,H47,,,,,32866,bmse010385,1
49,covalent,SING,C8,H48,,,,,32866,bmse010385,1
50,covalent,SING,C9,H49,,,,,32866,bmse010385,1
51,covalent,SING,C10,H50,,,,,32866,bmse010385,1
52,covalent,SING,C11,H51,,,,,32866,bmse010385,1
53,covalent,SING,C12,H52,,,,,32866,bmse010385,1
54,covalent,SING,C13,H53,,,,,32866,bmse010385,1
55,covalent,SING,C13,H54,,,,,32866,bmse010385,1
56,covalent,SING,C21,H55,,,,,32866,bmse010385,1
57,covalent,SING,C22,H56,,,,,32866,bmse010385,1
1,covalent,SING,C1,O21,,,,,32886,bmse010386,1
2,covalent,SING,C2,O22,,,,,32886,bmse010386,1
3,covalent,SING,C3,O23,,,,,32886,bmse010386,1
4,covalent,SING,C4,O24,,,,,32886,bmse010386,1
5,covalent,DOUB,C5,C6,,,,,32886,bmse010386,1
6,covalent,SING,C5,C7,,,,,32886,bmse010386,1
7,covalent,SING,C6,C13,,,,,32886,bmse010386,1
8,covalent,DOUB,C7,C14,,,,,32886,bmse010386,1
9,covalent,DOUB,C8,C11,,,,,32886,bmse010386,1
10,covalent,SING,C8,C15,,,,,32886,bmse010386,1
11,covalent,SING,C9,C11,,,,,32886,bmse010386,1
12,covalent,DOUB,C9,C16,,,,,32886,bmse010386,1
13,covalent,SING,C10,C12,,,,,32886,bmse010386,1
14,covalent,SING,C10,O25,,,,,32886,bmse010386,1
15,covalent,SING,C11,C12,,,,,32886,bmse010386,1
16,covalent,DOUB,C12,O19,,,,,32886,bmse010386,1
17,covalent,DOUB,C13,C18,,,,,32886,bmse010386,1
18,covalent,SING,C13,O21,,,,,32886,bmse010386,1
19,covalent,SING,C14,C18,,,,,32886,bmse010386,1
20,covalent,SING,C14,O22,,,,,32886,bmse010386,1
21,covalent,DOUB,C15,C17,,,,,32886,bmse010386,1
22,covalent,SING,C15,O23,,,,,32886,bmse010386,1
23,covalent,SING,C16,C17,,,,,32886,bmse010386,1
24,covalent,SING,C16,O24,,,,,32886,bmse010386,1
25,covalent,SING,C17,O20,,,,,32886,bmse010386,1
26,covalent,SING,C18,O25,,,,,32886,bmse010386,1
27,covalent,SING,C1,H26,,,,,32886,bmse010386,1
28,covalent,SING,C1,H27,,,,,32886,bmse010386,1
29,covalent,SING,C1,H28,,,,,32886,bmse010386,1
30,covalent,SING,C2,H29,,,,,32886,bmse010386,1
31,covalent,SING,C2,H30,,,,,32886,bmse010386,1
32,covalent,SING,C2,H31,,,,,32886,bmse010386,1
33,covalent,SING,C3,H32,,,,,32886,bmse010386,1
34,covalent,SING,C3,H33,,,,,32886,bmse010386,1
35,covalent,SING,C3,H34,,,,,32886,bmse010386,1
36,covalent,SING,C4,H35,,,,,32886,bmse010386,1
37,covalent,SING,C4,H36,,,,,32886,bmse010386,1
38,covalent,SING,C4,H37,,,,,32886,bmse010386,1
39,covalent,SING,C5,H38,,,,,32886,bmse010386,1
40,covalent,SING,C6,H39,,,,,32886,bmse010386,1
41,covalent,SING,C7,H40,,,,,32886,bmse010386,1
42,covalent,SING,C8,H41,,,,,32886,bmse010386,1
43,covalent,SING,C9,H42,,,,,32886,bmse010386,1
44,covalent,SING,C10,H43,,,,,32886,bmse010386,1
45,covalent,SING,C10,H44,,,,,32886,bmse010386,1
46,covalent,SING,O20,H45,,,,,32886,bmse010386,1
1,covalent,SING,C1,C12,,,,,32906,bmse010387,1
2,covalent,SING,C2,O23,,,,,32906,bmse010387,1
3,covalent,SING,C3,O24,,,,,32906,bmse010387,1
4,covalent,SING,C4,C7,,,,,32906,bmse010387,1
5,covalent,DOUB,C4,C13,,,,,32906,bmse010387,1
6,covalent,DOUB,C5,C8,,,,,32906,bmse010387,1
7,covalent,SING,C5,C13,,,,,32906,bmse010387,1
8,covalent,DOUB,C6,C9,,,,,32906,bmse010387,1
9,covalent,SING,C6,C14,,,,,32906,bmse010387,1
10,covalent,DOUB,C7,C15,,,,,32906,bmse010387,1
11,covalent,SING,C8,C15,,,,,32906,bmse010387,1
12,covalent,SING,C9,C16,,,,,32906,bmse010387,1
13,covalent,DOUB,C10,C14,,,,,32906,bmse010387,1
14,covalent,SING,C10,C17,,,,,32906,bmse010387,1
15,covalent,SING,C11,C18,,,,,32906,bmse010387,1
16,covalent,SING,C11,O20,,,,,32906,bmse010387,1
17,covalent,SING,C12,C13,,,,,32906,bmse010387,1
18,covalent,SING,C12,O21,,,,,32906,bmse010387,1
19,covalent,SING,C14,C19,,,,,32906,bmse010387,1
20,covalent,SING,C15,O25,,,,,32906,bmse010387,1
21,covalent,DOUB,C16,C17,,,,,32906,bmse010387,1
22,covalent,SING,C16,O23,,,,,32906,bmse010387,1
23,covalent,SING,C17,O24,,,,,32906,bmse010387,1
24,covalent,SING,C18,C19,,,,,32906,bmse010387,1
25,covalent,SING,C18,O25,,,,,32906,bmse010387,1
26,covalent,SING,C19,O22,,,,,32906,bmse010387,1
27,covalent,SING,C1,H28,,,,,32906,bmse010387,1
28,covalent,SING,C1,H26,,,,,32906,bmse010387,1
29,covalent,SING,C1,H27,,,,,32906,bmse010387,1
30,covalent,SING,C2,H31,,,,,32906,bmse010387,1
31,covalent,SING,C2,H30,,,,,32906,bmse010387,1
32,covalent,SING,C2,H29,,,,,32906,bmse010387,1
33,covalent,SING,C3,H34,,,,,32906,bmse010387,1
34,covalent,SING,C3,H33,,,,,32906,bmse010387,1
35,covalent,SING,C3,H32,,,,,32906,bmse010387,1
36,covalent,SING,C4,H35,,,,,32906,bmse010387,1
37,covalent,SING,C5,H36,,,,,32906,bmse010387,1
38,covalent,SING,C6,H37,,,,,32906,bmse010387,1
39,covalent,SING,C7,H38,,,,,32906,bmse010387,1
40,covalent,SING,C8,H39,,,,,32906,bmse010387,1
41,covalent,SING,C9,H40,,,,,32906,bmse010387,1
42,covalent,SING,C10,H41,,,,,32906,bmse010387,1
43,covalent,SING,C11,H42,,,,,32906,bmse010387,1
44,covalent,SING,C11,H43,,,,,32906,bmse010387,1
45,covalent,SING,C12,H44,,,,,32906,bmse010387,1
46,covalent,SING,C18,H45,,,,,32906,bmse010387,1
47,covalent,SING,C19,H46,,,,,32906,bmse010387,1
48,covalent,SING,O20,H47,,,,,32906,bmse010387,1
49,covalent,SING,O21,H48,,,,,32906,bmse010387,1
50,covalent,SING,O22,H49,,,,,32906,bmse010387,1
1,covalent,SING,C1,C15,,,,,32926,bmse010388,1
2,covalent,SING,C2,C16,,,,,32926,bmse010388,1
3,covalent,SING,C3,C17,,,,,32926,bmse010388,1
4,covalent,SING,C4,C18,,,,,32926,bmse010388,1
5,covalent,SING,C5,O29,,,,,32926,bmse010388,1
6,covalent,SING,C6,O30,,,,,32926,bmse010388,1
7,covalent,SING,C7,C10,,,,,32926,bmse010388,1
8,covalent,DOUB,C7,C19,,,,,32926,bmse010388,1
9,covalent,DOUB,C8,C11,,,,,32926,bmse010388,1
10,covalent,SING,C8,C19,,,,,32926,bmse010388,1
11,covalent,DOUB,C9,C12,,,,,32926,bmse010388,1
12,covalent,SING,C9,C20,,,,,32926,bmse010388,1
13,covalent,DOUB,C10,C21,,,,,32926,bmse010388,1
14,covalent,SING,C11,C21,,,,,32926,bmse010388,1
15,covalent,SING,C12,C22,,,,,32926,bmse010388,1
16,covalent,DOUB,C13,C20,,,,,32926,bmse010388,1
17,covalent,SING,C13,C23,,,,,32926,bmse010388,1
18,covalent,SING,C14,C24,,,,,32926,bmse010388,1
19,covalent,SING,C14,O31,,,,,32926,bmse010388,1
20,covalent,SING,C15,C19,,,,,32926,bmse010388,1
21,covalent,SING,C15,O32,,,,,32926,bmse010388,1
22,covalent,DOUB,C16,O26,,,,,32926,bmse010388,1
23,covalent,SING,C16,O31,,,,,32926,bmse010388,1
24,covalent,DOUB,C17,O27,,,,,32926,bmse010388,1
25,covalent,SING,C17,O32,,,,,32926,bmse010388,1
26,covalent,DOUB,C18,O28,,,,,32926,bmse010388,1
27,covalent,SING,C18,O33,,,,,32926,bmse010388,1
28,covalent,SING,C20,C25,,,,,32926,bmse010388,1
29,covalent,SING,C21,O34,,,,,32926,bmse010388,1
30,covalent,DOUB,C22,C23,,,,,32926,bmse010388,1
31,covalent,SING,C22,O29,,,,,32926,bmse010388,1
32,covalent,SING,C23,O30,,,,,32926,bmse010388,1
33,covalent,SING,C24,C25,,,,,32926,bmse010388,1
34,covalent,SING,C24,O34,,,,,32926,bmse010388,1
35,covalent,SING,C25,O33,,,,,32926,bmse010388,1
36,covalent,SING,C1,H36,,,,,32926,bmse010388,1
37,covalent,SING,C1,H35,,,,,32926,bmse010388,1
38,covalent,SING,C1,H37,,,,,32926,bmse010388,1
39,covalent,SING,C2,H40,,,,,32926,bmse010388,1
40,covalent,SING,C2,H38,,,,,32926,bmse010388,1
41,covalent,SING,C2,H39,,,,,32926,bmse010388,1
42,covalent,SING,C3,H42,,,,,32926,bmse010388,1
43,covalent,SING,C3,H41,,,,,32926,bmse010388,1
44,covalent,SING,C3,H43,,,,,32926,bmse010388,1
45,covalent,SING,C4,H46,,,,,32926,bmse010388,1
46,covalent,SING,C4,H45,,,,,32926,bmse010388,1
47,covalent,SING,C4,H44,,,,,32926,bmse010388,1
48,covalent,SING,C5,H49,,,,,32926,bmse010388,1
49,covalent,SING,C5,H48,,,,,32926,bmse010388,1
50,covalent,SING,C5,H47,,,,,32926,bmse010388,1
51,covalent,SING,C6,H52,,,,,32926,bmse010388,1
52,covalent,SING,C6,H51,,,,,32926,bmse010388,1
53,covalent,SING,C6,H50,,,,,32926,bmse010388,1
54,covalent,SING,C7,H53,,,,,32926,bmse010388,1
55,covalent,SING,C8,H54,,,,,32926,bmse010388,1
56,covalent,SING,C9,H55,,,,,32926,bmse010388,1
57,covalent,SING,C10,H56,,,,,32926,bmse010388,1
58,covalent,SING,C11,H57,,,,,32926,bmse010388,1
59,covalent,SING,C12,H58,,,,,32926,bmse010388,1
60,covalent,SING,C13,H59,,,,,32926,bmse010388,1
61,covalent,SING,C14,H60,,,,,32926,bmse010388,1
62,covalent,SING,C14,H61,,,,,32926,bmse010388,1
63,covalent,SING,C15,H62,,,,,32926,bmse010388,1
64,covalent,SING,C24,H63,,,,,32926,bmse010388,1
65,covalent,SING,C25,H64,,,,,32926,bmse010388,1
1,covalent,SING,C1,C15,,,,,32946,bmse010389,1
2,covalent,SING,C2,C16,,,,,32946,bmse010389,1
3,covalent,SING,C3,C17,,,,,32946,bmse010389,1
4,covalent,SING,C4,C18,,,,,32946,bmse010389,1
5,covalent,SING,C5,O30,,,,,32946,bmse010389,1
6,covalent,SING,C6,O31,,,,,32946,bmse010389,1
7,covalent,SING,C7,O32,,,,,32946,bmse010389,1
8,covalent,DOUB,C8,C11,,,,,32946,bmse010389,1
9,covalent,SING,C8,C19,,,,,32946,bmse010389,1
10,covalent,DOUB,C9,C10,,,,,32946,bmse010389,1
11,covalent,SING,C9,C20,,,,,32946,bmse010389,1
12,covalent,SING,C10,C21,,,,,32946,bmse010389,1
13,covalent,SING,C11,C22,,,,,32946,bmse010389,1
14,covalent,DOUB,C12,C19,,,,,32946,bmse010389,1
15,covalent,SING,C12,C24,,,,,32946,bmse010389,1
16,covalent,DOUB,C13,C20,,,,,32946,bmse010389,1
17,covalent,SING,C13,C23,,,,,32946,bmse010389,1
18,covalent,SING,C14,C25,,,,,32946,bmse010389,1
19,covalent,SING,C14,O33,,,,,32946,bmse010389,1
20,covalent,SING,C15,C19,,,,,32946,bmse010389,1
21,covalent,SING,C15,O34,,,,,32946,bmse010389,1
22,covalent,DOUB,C16,O27,,,,,32946,bmse010389,1
23,covalent,SING,C16,O33,,,,,32946,bmse010389,1
24,covalent,DOUB,C17,O28,,,,,32946,bmse010389,1
25,covalent,SING,C17,O34,,,,,32946,bmse010389,1
26,covalent,DOUB,C18,O29,,,,,32946,bmse010389,1
27,covalent,SING,C18,O35,,,,,32946,bmse010389,1
28,covalent,SING,C20,C26,,,,,32946,bmse010389,1
29,covalent,DOUB,C21,C23,,,,,32946,bmse010389,1
30,covalent,SING,C21,O30,,,,,32946,bmse010389,1
31,covalent,DOUB,C22,C24,,,,,32946,bmse010389,1
32,covalent,SING,C22,O36,,,,,32946,bmse010389,1
33,covalent,SING,C23,O31,,,,,32946,bmse010389,1
34,covalent,SING,C24,O32,,,,,32946,bmse010389,1
35,covalent,SING,C25,C26,,,,,32946,bmse010389,1
36,covalent,SING,C25,O36,,,,,32946,bmse010389,1
37,covalent,SING,C26,O35,,,,,32946,bmse010389,1
38,covalent,SING,C1,H38,,,,,32946,bmse010389,1
39,covalent,SING,C1,H39,,,,,32946,bmse010389,1
40,covalent,SING,C1,H37,,,,,32946,bmse010389,1
41,covalent,SING,C2,H42,,,,,32946,bmse010389,1
42,covalent,SING,C2,H40,,,,,32946,bmse010389,1
43,covalent,SING,C2,H41,,,,,32946,bmse010389,1
44,covalent,SING,C3,H44,,,,,32946,bmse010389,1
45,covalent,SING,C3,H45,,,,,32946,bmse010389,1
46,covalent,SING,C3,H43,,,,,32946,bmse010389,1
47,covalent,SING,C4,H48,,,,,32946,bmse010389,1
48,covalent,SING,C4,H47,,,,,32946,bmse010389,1
49,covalent,SING,C4,H46,,,,,32946,bmse010389,1
50,covalent,SING,C5,H51,,,,,32946,bmse010389,1
51,covalent,SING,C5,H50,,,,,32946,bmse010389,1
52,covalent,SING,C5,H49,,,,,32946,bmse010389,1
53,covalent,SING,C6,H54,,,,,32946,bmse010389,1
54,covalent,SING,C6,H53,,,,,32946,bmse010389,1
55,covalent,SING,C6,H52,,,,,32946,bmse010389,1
56,covalent,SING,C7,H56,,,,,32946,bmse010389,1
57,covalent,SING,C7,H55,,,,,32946,bmse010389,1
58,covalent,SING,C7,H57,,,,,32946,bmse010389,1
59,covalent,SING,C8,H58,,,,,32946,bmse010389,1
60,covalent,SING,C9,H59,,,,,32946,bmse010389,1
61,covalent,SING,C10,H60,,,,,32946,bmse010389,1
62,covalent,SING,C11,H61,,,,,32946,bmse010389,1
63,covalent,SING,C12,H62,,,,,32946,bmse010389,1
64,covalent,SING,C13,H63,,,,,32946,bmse010389,1
65,covalent,SING,C14,H64,,,,,32946,bmse010389,1
66,covalent,SING,C14,H65,,,,,32946,bmse010389,1
67,covalent,SING,C15,H66,,,,,32946,bmse010389,1
68,covalent,SING,C25,H67,,,,,32946,bmse010389,1
69,covalent,SING,C26,H68,,,,,32946,bmse010389,1
1,covalent,SING,C1,C12,,,,,32966,bmse010390,1
2,covalent,SING,C2,O24,,,,,32966,bmse010390,1
3,covalent,SING,C3,O25,,,,,32966,bmse010390,1
4,covalent,SING,C4,O26,,,,,32966,bmse010390,1
5,covalent,DOUB,C5,C8,,,,,32966,bmse010390,1
6,covalent,SING,C5,C13,,,,,32966,bmse010390,1
7,covalent,DOUB,C6,C7,,,,,32966,bmse010390,1
8,covalent,SING,C6,C14,,,,,32966,bmse010390,1
9,covalent,SING,C7,C15,,,,,32966,bmse010390,1
10,covalent,SING,C8,C16,,,,,32966,bmse010390,1
11,covalent,DOUB,C9,C13,,,,,32966,bmse010390,1
12,covalent,SING,C9,C18,,,,,32966,bmse010390,1
13,covalent,DOUB,C10,C14,,,,,32966,bmse010390,1
14,covalent,SING,C10,C17,,,,,32966,bmse010390,1
15,covalent,SING,C11,C19,,,,,32966,bmse010390,1
16,covalent,SING,C11,O21,,,,,32966,bmse010390,1
17,covalent,SING,C12,C13,,,,,32966,bmse010390,1
18,covalent,SING,C12,O22,,,,,32966,bmse010390,1
19,covalent,SING,C14,C20,,,,,32966,bmse010390,1
20,covalent,DOUB,C15,C17,,,,,32966,bmse010390,1
21,covalent,SING,C15,O24,,,,,32966,bmse010390,1
22,covalent,DOUB,C16,C18,,,,,32966,bmse010390,1
23,covalent,SING,C16,O27,,,,,32966,bmse010390,1
24,covalent,SING,C17,O25,,,,,32966,bmse010390,1
25,covalent,SING,C18,O26,,,,,32966,bmse010390,1
26,covalent,SING,C19,C20,,,,,32966,bmse010390,1
27,covalent,SING,C19,O27,,,,,32966,bmse010390,1
28,covalent,SING,C20,O23,,,,,32966,bmse010390,1
29,covalent,SING,C1,H28,,,,,32966,bmse010390,1
30,covalent,SING,C1,H29,,,,,32966,bmse010390,1
31,covalent,SING,C1,H30,,,,,32966,bmse010390,1
32,covalent,SING,C2,H31,,,,,32966,bmse010390,1
33,covalent,SING,C2,H32,,,,,32966,bmse010390,1
34,covalent,SING,C2,H33,,,,,32966,bmse010390,1
35,covalent,SING,C3,H34,,,,,32966,bmse010390,1
36,covalent,SING,C3,H35,,,,,32966,bmse010390,1
37,covalent,SING,C3,H36,,,,,32966,bmse010390,1
38,covalent,SING,C4,H37,,,,,32966,bmse010390,1
39,covalent,SING,C4,H38,,,,,32966,bmse010390,1
40,covalent,SING,C4,H39,,,,,32966,bmse010390,1
41,covalent,SING,C5,H40,,,,,32966,bmse010390,1
42,covalent,SING,C6,H41,,,,,32966,bmse010390,1
43,covalent,SING,C7,H42,,,,,32966,bmse010390,1
44,covalent,SING,C8,H43,,,,,32966,bmse010390,1
45,covalent,SING,C9,H44,,,,,32966,bmse010390,1
46,covalent,SING,C10,H45,,,,,32966,bmse010390,1
47,covalent,SING,C11,H46,,,,,32966,bmse010390,1
48,covalent,SING,C11,H47,,,,,32966,bmse010390,1
49,covalent,SING,C12,H48,,,,,32966,bmse010390,1
50,covalent,SING,C19,H49,,,,,32966,bmse010390,1
51,covalent,SING,C20,H50,,,,,32966,bmse010390,1
52,covalent,SING,O21,H51,,,,,32966,bmse010390,1
53,covalent,SING,O22,H52,,,,,32966,bmse010390,1
54,covalent,SING,O23,H53,,,,,32966,bmse010390,1
1,covalent,SING,C1,C3,,,,,32986,bmse010395,1
2,covalent,DOUB,C1,C6,,,,,32986,bmse010395,1
3,covalent,DOUB,C2,C4,,,,,32986,bmse010395,1
4,covalent,SING,C2,C6,,,,,32986,bmse010395,1
5,covalent,DOUB,C3,C7,,,,,32986,bmse010395,1
6,covalent,SING,C4,C7,,,,,32986,bmse010395,1
7,covalent,SING,C5,C6,,,,,32986,bmse010395,1
8,covalent,DOUB,C5,O8,,,,,32986,bmse010395,1
9,covalent,SING,C7,O9,,,,,32986,bmse010395,1
10,covalent,SING,C1,H10,,,,,32986,bmse010395,1
11,covalent,SING,C2,H11,,,,,32986,bmse010395,1
12,covalent,SING,C3,H12,,,,,32986,bmse010395,1
13,covalent,SING,C4,H13,,,,,32986,bmse010395,1
14,covalent,SING,C5,H14,,,,,32986,bmse010395,1
15,covalent,SING,O9,H15,,,,,32986,bmse010395,1
1,covalent,SING,C1,O13,,,,,33003,bmse010396,1
2,covalent,SING,C2,C5,,,,,33003,bmse010396,1
3,covalent,DOUB,C2,C8,,,,,33003,bmse010396,1
4,covalent,DOUB,C3,C6,,,,,33003,bmse010396,1
5,covalent,SING,C3,C8,,,,,33003,bmse010396,1
6,covalent,DOUB,C4,C7,,,,,33003,bmse010396,1
7,covalent,SING,C4,C8,,,,,33003,bmse010396,1
8,covalent,DOUB,C5,C9,,,,,33003,bmse010396,1
9,covalent,SING,C6,C9,,,,,33003,bmse010396,1
10,covalent,SING,C7,C10,,,,,33003,bmse010396,1
11,covalent,SING,C9,O13,,,,,33003,bmse010396,1
12,covalent,SING,C10,O11,,,,,33003,bmse010396,1
13,covalent,DOUB,C10,O12,,,,,33003,bmse010396,1
14,covalent,SING,C1,H14,,,,,33003,bmse010396,1
15,covalent,SING,C1,H15,,,,,33003,bmse010396,1
16,covalent,SING,C1,H16,,,,,33003,bmse010396,1
17,covalent,SING,C2,H17,,,,,33003,bmse010396,1
18,covalent,SING,C3,H18,,,,,33003,bmse010396,1
19,covalent,SING,C4,H19,,,,,33003,bmse010396,1
20,covalent,SING,C5,H20,,,,,33003,bmse010396,1
21,covalent,SING,C6,H21,,,,,33003,bmse010396,1
22,covalent,SING,C7,H22,,,,,33003,bmse010396,1
23,covalent,SING,O11,H23,,,,,33003,bmse010396,1
1,covalent,SING,C1,O22,,,,,33023,bmse010420,1
2,covalent,DOUB,C2,C3,,,,,33023,bmse010420,1
3,covalent,SING,C2,C6,,,,,33023,bmse010420,1
4,covalent,SING,C3,C9,,,,,33023,bmse010420,1
5,covalent,DOUB,C4,C5,,,,,33023,bmse010420,1
6,covalent,SING,C4,C9,,,,,33023,bmse010420,1
7,covalent,SING,C5,C10,,,,,33023,bmse010420,1
8,covalent,SING,C6,O17,,,,,33023,bmse010420,1
9,covalent,DOUB,C7,C9,,,,,33023,bmse010420,1
10,covalent,SING,C7,C11,,,,,33023,bmse010420,1
11,covalent,SING,C12,C8,,,,,33023,bmse010420,1
12,covalent,SING,C8,O18,,,,,33023,bmse010420,1
13,covalent,DOUB,C10,C11,,,,,33023,bmse010420,1
14,covalent,SING,C10,O23,,,,,33023,bmse010420,1
15,covalent,SING,C11,O22,,,,,33023,bmse010420,1
16,covalent,SING,C12,C13,,,,,33023,bmse010420,1
17,covalent,SING,C12,O24,,,,,33023,bmse010420,1
18,covalent,SING,C13,C14,,,,,33023,bmse010420,1
19,covalent,SING,C13,O19,,,,,33023,bmse010420,1
20,covalent,SING,C14,C15,,,,,33023,bmse010420,1
21,covalent,SING,C14,O20,,,,,33023,bmse010420,1
22,covalent,SING,C15,C16,,,,,33023,bmse010420,1
23,covalent,SING,C15,O21,,,,,33023,bmse010420,1
24,covalent,SING,C16,O23,,,,,33023,bmse010420,1
25,covalent,SING,C16,O24,,,,,33023,bmse010420,1
26,covalent,SING,C1,H25,,,,,33023,bmse010420,1
27,covalent,SING,C1,H26,,,,,33023,bmse010420,1
28,covalent,SING,C1,H27,,,,,33023,bmse010420,1
29,covalent,SING,C2,H28,,,,,33023,bmse010420,1
30,covalent,SING,C3,H29,,,,,33023,bmse010420,1
31,covalent,SING,C4,H30,,,,,33023,bmse010420,1
32,covalent,SING,C5,H31,,,,,33023,bmse010420,1
33,covalent,SING,C6,H32,,,,,33023,bmse010420,1
34,covalent,SING,C6,H33,,,,,33023,bmse010420,1
35,covalent,SING,C7,H34,,,,,33023,bmse010420,1
36,covalent,SING,C8,H35,,,,,33023,bmse010420,1
37,covalent,SING,C8,H36,,,,,33023,bmse010420,1
38,covalent,SING,C12,H37,,,,,33023,bmse010420,1
39,covalent,SING,C13,H38,,,,,33023,bmse010420,1
40,covalent,SING,C14,H39,,,,,33023,bmse010420,1
41,covalent,SING,C15,H40,,,,,33023,bmse010420,1
42,covalent,SING,C16,H41,,,,,33023,bmse010420,1
43,covalent,SING,O17,H42,,,,,33023,bmse010420,1
44,covalent,SING,O18,H43,,,,,33023,bmse010420,1
45,covalent,SING,O19,H44,,,,,33023,bmse010420,1
46,covalent,SING,O20,H45,,,,,33023,bmse010420,1
47,covalent,SING,O21,H46,,,,,33023,bmse010420,1
1,covalent,SING,C1,O23,,,,,33037,bmse010421,1
2,covalent,SING,C2,O24,,,,,33037,bmse010421,1
3,covalent,DOUB,C3,C4,,,,,33037,bmse010421,1
4,covalent,SING,C3,C5,,,,,33037,bmse010421,1
5,covalent,SING,C4,C9,,,,,33037,bmse010421,1
6,covalent,SING,C5,O18,,,,,33037,bmse010421,1
7,covalent,DOUB,C6,C9,,,,,33037,bmse010421,1
8,covalent,SING,C6,C10,,,,,33037,bmse010421,1
9,covalent,SING,C7,C9,,,,,33037,bmse010421,1
10,covalent,DOUB,C7,C11,,,,,33037,bmse010421,1
11,covalent,SING,C12,C8,,,,,33037,bmse010421,1
12,covalent,SING,C8,O19,,,,,33037,bmse010421,1
13,covalent,DOUB,C10,C16,,,,,33037,bmse010421,1
14,covalent,SING,C10,O23,,,,,33037,bmse010421,1
15,covalent,SING,C11,C16,,,,,33037,bmse010421,1
16,covalent,SING,C11,O24,,,,,33037,bmse010421,1
17,covalent,SING,C12,C13,,,,,33037,bmse010421,1
18,covalent,SING,C12,O25,,,,,33037,bmse010421,1
19,covalent,SING,C13,C14,,,,,33037,bmse010421,1
20,covalent,SING,C13,O20,,,,,33037,bmse010421,1
21,covalent,SING,C14,C15,,,,,33037,bmse010421,1
22,covalent,SING,C14,O21,,,,,33037,bmse010421,1
23,covalent,SING,C15,C17,,,,,33037,bmse010421,1
24,covalent,SING,C15,O22,,,,,33037,bmse010421,1
25,covalent,SING,C16,O26,,,,,33037,bmse010421,1
26,covalent,SING,C17,O25,,,,,33037,bmse010421,1
27,covalent,SING,C17,O26,,,,,33037,bmse010421,1
28,covalent,SING,C1,H27,,,,,33037,bmse010421,1
29,covalent,SING,C1,H29,,,,,33037,bmse010421,1
30,covalent,SING,C1,H28,,,,,33037,bmse010421,1
31,covalent,SING,C2,H30,,,,,33037,bmse010421,1
32,covalent,SING,C2,H32,,,,,33037,bmse010421,1
33,covalent,SING,C2,H31,,,,,33037,bmse010421,1
34,covalent,SING,C3,H33,,,,,33037,bmse010421,1
35,covalent,SING,C4,H34,,,,,33037,bmse010421,1
36,covalent,SING,C5,H35,,,,,33037,bmse010421,1
37,covalent,SING,C5,H36,,,,,33037,bmse010421,1
38,covalent,SING,C6,H37,,,,,33037,bmse010421,1
39,covalent,SING,C7,H38,,,,,33037,bmse010421,1
40,covalent,SING,C8,H39,,,,,33037,bmse010421,1
41,covalent,SING,C8,H40,,,,,33037,bmse010421,1
42,covalent,SING,C12,H41,,,,,33037,bmse010421,1
43,covalent,SING,C13,H42,,,,,33037,bmse010421,1
44,covalent,SING,C14,H43,,,,,33037,bmse010421,1
45,covalent,SING,C15,H44,,,,,33037,bmse010421,1
46,covalent,SING,C17,H45,,,,,33037,bmse010421,1
47,covalent,SING,O18,H46,,,,,33037,bmse010421,1
48,covalent,SING,O19,H47,,,,,33037,bmse010421,1
49,covalent,SING,O20,H48,,,,,33037,bmse010421,1
50,covalent,SING,O21,H49,,,,,33037,bmse010421,1
51,covalent,SING,O22,H50,,,,,33037,bmse010421,1
1,covalent,SING,C1,C6,,,,,33051,bmse010422,1
2,covalent,SING,C2,C7,,,,,33051,bmse010422,1
3,covalent,SING,C3,C8,,,,,33051,bmse010422,1
4,covalent,SING,C4,C9,,,,,33051,bmse010422,1
5,covalent,SING,C5,C10,,,,,33051,bmse010422,1
6,covalent,SING,C5,O18,,,,,33051,bmse010422,1
7,covalent,DOUB,C6,O14,,,,,33051,bmse010422,1
8,covalent,SING,C6,O19,,,,,33051,bmse010422,1
9,covalent,DOUB,C7,O15,,,,,33051,bmse010422,1
10,covalent,SING,C7,O20,,,,,33051,bmse010422,1
11,covalent,DOUB,C8,O16,,,,,33051,bmse010422,1
12,covalent,SING,C8,O21,,,,,33051,bmse010422,1
13,covalent,DOUB,C9,O17,,,,,33051,bmse010422,1
14,covalent,SING,C9,O22,,,,,33051,bmse010422,1
15,covalent,SING,C10,C11,,,,,33051,bmse010422,1
16,covalent,SING,C10,O19,,,,,33051,bmse010422,1
17,covalent,SING,C11,C12,,,,,33051,bmse010422,1
18,covalent,SING,C11,O20,,,,,33051,bmse010422,1
19,covalent,SING,C12,C13,,,,,33051,bmse010422,1
20,covalent,SING,C12,O21,,,,,33051,bmse010422,1
21,covalent,SING,C13,O18,,,,,33051,bmse010422,1
22,covalent,SING,C13,O22,,,,,33051,bmse010422,1
23,covalent,SING,C1,H23,,,,,33051,bmse010422,1
24,covalent,SING,C1,H25,,,,,33051,bmse010422,1
25,covalent,SING,C1,H24,,,,,33051,bmse010422,1
26,covalent,SING,C2,H26,,,,,33051,bmse010422,1
27,covalent,SING,C2,H28,,,,,33051,bmse010422,1
28,covalent,SING,C2,H27,,,,,33051,bmse010422,1
29,covalent,SING,C3,H30,,,,,33051,bmse010422,1
30,covalent,SING,C3,H31,,,,,33051,bmse010422,1
31,covalent,SING,C3,H29,,,,,33051,bmse010422,1
32,covalent,SING,C4,H34,,,,,33051,bmse010422,1
33,covalent,SING,C4,H32,,,,,33051,bmse010422,1
34,covalent,SING,C4,H33,,,,,33051,bmse010422,1
35,covalent,SING,C5,H35,,,,,33051,bmse010422,1
36,covalent,SING,C5,H36,,,,,33051,bmse010422,1
37,covalent,SING,C10,H37,,,,,33051,bmse010422,1
38,covalent,SING,C11,H38,,,,,33051,bmse010422,1
39,covalent,SING,C12,H39,,,,,33051,bmse010422,1
40,covalent,SING,C13,H40,,,,,33051,bmse010422,1
1,covalent,SING,C1,C11,,,,,33071,bmse010423,1
2,covalent,SING,C2,O24,,,,,33071,bmse010423,1
3,covalent,SING,C3,O25,,,,,33071,bmse010423,1
4,covalent,DOUB,C4,C6,,,,,33071,bmse010423,1
5,covalent,SING,C4,C13,,,,,33071,bmse010423,1
6,covalent,DOUB,C5,C7,,,,,33071,bmse010423,1
7,covalent,SING,C5,C12,,,,,33071,bmse010423,1
8,covalent,SING,C6,C14,,,,,33071,bmse010423,1
9,covalent,SING,C7,C15,,,,,33071,bmse010423,1
10,covalent,DOUB,C8,C12,,,,,33071,bmse010423,1
11,covalent,SING,C8,C17,,,,,33071,bmse010423,1
12,covalent,DOUB,C9,C13,,,,,33071,bmse010423,1
13,covalent,SING,C9,C16,,,,,33071,bmse010423,1
14,covalent,SING,C10,C18,,,,,33071,bmse010423,1
15,covalent,SING,C10,O20,,,,,33071,bmse010423,1
16,covalent,SING,C11,C12,,,,,33071,bmse010423,1
17,covalent,SING,C11,O21,,,,,33071,bmse010423,1
18,covalent,SING,C13,C19,,,,,33071,bmse010423,1
19,covalent,DOUB,C14,C16,,,,,33071,bmse010423,1
20,covalent,SING,C14,O22,,,,,33071,bmse010423,1
21,covalent,DOUB,C15,C17,,,,,33071,bmse010423,1
22,covalent,SING,C15,O26,,,,,33071,bmse010423,1
23,covalent,SING,C16,O24,,,,,33071,bmse010423,1
24,covalent,SING,C17,O25,,,,,33071,bmse010423,1
25,covalent,SING,C18,C19,,,,,33071,bmse010423,1
26,covalent,SING,C18,O26,,,,,33071,bmse010423,1
27,covalent,SING,C19,O23,,,,,33071,bmse010423,1
28,covalent,SING,C1,H28,,,,,33071,bmse010423,1
29,covalent,SING,C1,H27,,,,,33071,bmse010423,1
30,covalent,SING,C1,H29,,,,,33071,bmse010423,1
31,covalent,SING,C2,H30,,,,,33071,bmse010423,1
32,covalent,SING,C2,H31,,,,,33071,bmse010423,1
33,covalent,SING,C2,H32,,,,,33071,bmse010423,1
34,covalent,SING,C3,H33,,,,,33071,bmse010423,1
35,covalent,SING,C3,H35,,,,,33071,bmse010423,1
36,covalent,SING,C3,H34,,,,,33071,bmse010423,1
37,covalent,SING,C4,H36,,,,,33071,bmse010423,1
38,covalent,SING,C5,H37,,,,,33071,bmse010423,1
39,covalent,SING,C6,H38,,,,,33071,bmse010423,1
40,covalent,SING,C7,H39,,,,,33071,bmse010423,1
41,covalent,SING,C8,H40,,,,,33071,bmse010423,1
42,covalent,SING,C9,H41,,,,,33071,bmse010423,1
43,covalent,SING,C10,H42,,,,,33071,bmse010423,1
44,covalent,SING,C10,H43,,,,,33071,bmse010423,1
45,covalent,SING,C11,H44,,,,,33071,bmse010423,1
46,covalent,SING,C18,H45,,,,,33071,bmse010423,1
47,covalent,SING,C19,H46,,,,,33071,bmse010423,1
48,covalent,SING,O20,H47,,,,,33071,bmse010423,1
49,covalent,SING,O21,H48,,,,,33071,bmse010423,1
50,covalent,SING,O22,H49,,,,,33071,bmse010423,1
51,covalent,SING,O23,H50,,,,,33071,bmse010423,1
1,covalent,SING,C1,C11,,,,,33091,bmse010424,1
2,covalent,SING,C2,O23,,,,,33091,bmse010424,1
3,covalent,SING,C3,C6,,,,,33091,bmse010424,1
4,covalent,DOUB,C3,C12,,,,,33091,bmse010424,1
5,covalent,DOUB,C4,C7,,,,,33091,bmse010424,1
6,covalent,SING,C4,C12,,,,,33091,bmse010424,1
7,covalent,DOUB,C5,C8,,,,,33091,bmse010424,1
8,covalent,SING,C5,C13,,,,,33091,bmse010424,1
9,covalent,DOUB,C6,C14,,,,,33091,bmse010424,1
10,covalent,SING,C7,C14,,,,,33091,bmse010424,1
11,covalent,SING,C8,C15,,,,,33091,bmse010424,1
12,covalent,DOUB,C9,C13,,,,,33091,bmse010424,1
13,covalent,SING,C9,C16,,,,,33091,bmse010424,1
14,covalent,SING,C10,C17,,,,,33091,bmse010424,1
15,covalent,SING,C10,O19,,,,,33091,bmse010424,1
16,covalent,SING,C11,C12,,,,,33091,bmse010424,1
17,covalent,SING,C11,O20,,,,,33091,bmse010424,1
18,covalent,SING,C13,C18,,,,,33091,bmse010424,1
19,covalent,SING,C14,O24,,,,,33091,bmse010424,1
20,covalent,DOUB,C15,C16,,,,,33091,bmse010424,1
21,covalent,SING,C15,O21,,,,,33091,bmse010424,1
22,covalent,SING,C16,O23,,,,,33091,bmse010424,1
23,covalent,SING,C17,C18,,,,,33091,bmse010424,1
24,covalent,SING,C17,O24,,,,,33091,bmse010424,1
25,covalent,SING,C18,O22,,,,,33091,bmse010424,1
26,covalent,SING,C1,H25,,,,,33091,bmse010424,1
27,covalent,SING,C1,H26,,,,,33091,bmse010424,1
28,covalent,SING,C1,H27,,,,,33091,bmse010424,1
29,covalent,SING,C2,H28,,,,,33091,bmse010424,1
30,covalent,SING,C2,H29,,,,,33091,bmse010424,1
31,covalent,SING,C2,H30,,,,,33091,bmse010424,1
32,covalent,SING,C3,H31,,,,,33091,bmse010424,1
33,covalent,SING,C4,H32,,,,,33091,bmse010424,1
34,covalent,SING,C5,H33,,,,,33091,bmse010424,1
35,covalent,SING,C6,H34,,,,,33091,bmse010424,1
36,covalent,SING,C7,H35,,,,,33091,bmse010424,1
37,covalent,SING,C8,H36,,,,,33091,bmse010424,1
38,covalent,SING,C9,H37,,,,,33091,bmse010424,1
39,covalent,SING,C10,H38,,,,,33091,bmse010424,1
40,covalent,SING,C10,H39,,,,,33091,bmse010424,1
41,covalent,SING,C11,H40,,,,,33091,bmse010424,1
42,covalent,SING,C17,H41,,,,,33091,bmse010424,1
43,covalent,SING,C18,H42,,,,,33091,bmse010424,1
44,covalent,SING,O19,H43,,,,,33091,bmse010424,1
45,covalent,SING,O20,H44,,,,,33091,bmse010424,1
46,covalent,SING,O21,H45,,,,,33091,bmse010424,1
47,covalent,SING,O22,H46,,,,,33091,bmse010424,1
1,covalent,SING,C1,C15,,,,,33111,bmse010425,1
2,covalent,SING,C2,C16,,,,,33111,bmse010425,1
3,covalent,SING,C3,C17,,,,,33111,bmse010425,1
4,covalent,SING,C4,C18,,,,,33111,bmse010425,1
5,covalent,SING,C5,C19,,,,,33111,bmse010425,1
6,covalent,SING,C6,O31,,,,,33111,bmse010425,1
7,covalent,SING,C7,C10,,,,,33111,bmse010425,1
8,covalent,DOUB,C7,C20,,,,,33111,bmse010425,1
9,covalent,DOUB,C8,C11,,,,,33111,bmse010425,1
10,covalent,SING,C8,C20,,,,,33111,bmse010425,1
11,covalent,DOUB,C9,C12,,,,,33111,bmse010425,1
12,covalent,SING,C9,C21,,,,,33111,bmse010425,1
13,covalent,DOUB,C10,C22,,,,,33111,bmse010425,1
14,covalent,SING,C11,C22,,,,,33111,bmse010425,1
15,covalent,SING,C12,C23,,,,,33111,bmse010425,1
16,covalent,DOUB,C13,C21,,,,,33111,bmse010425,1
17,covalent,SING,C13,C24,,,,,33111,bmse010425,1
18,covalent,SING,C14,C25,,,,,33111,bmse010425,1
19,covalent,SING,C14,O32,,,,,33111,bmse010425,1
20,covalent,SING,C15,C20,,,,,33111,bmse010425,1
21,covalent,SING,C15,O33,,,,,33111,bmse010425,1
22,covalent,DOUB,C16,O27,,,,,33111,bmse010425,1
23,covalent,SING,C16,O32,,,,,33111,bmse010425,1
24,covalent,DOUB,C17,O28,,,,,33111,bmse010425,1
25,covalent,SING,C17,O33,,,,,33111,bmse010425,1
26,covalent,DOUB,C18,O29,,,,,33111,bmse010425,1
27,covalent,SING,C18,O34,,,,,33111,bmse010425,1
28,covalent,DOUB,C19,O30,,,,,33111,bmse010425,1
29,covalent,SING,C19,O35,,,,,33111,bmse010425,1
30,covalent,SING,C21,C26,,,,,33111,bmse010425,1
31,covalent,SING,C22,O36,,,,,33111,bmse010425,1
32,covalent,DOUB,C23,C24,,,,,33111,bmse010425,1
33,covalent,SING,C23,O34,,,,,33111,bmse010425,1
34,covalent,SING,C24,O31,,,,,33111,bmse010425,1
35,covalent,SING,C25,C26,,,,,33111,bmse010425,1
36,covalent,SING,C25,O36,,,,,33111,bmse010425,1
37,covalent,SING,C26,O35,,,,,33111,bmse010425,1
38,covalent,SING,C1,H38,,,,,33111,bmse010425,1
39,covalent,SING,C1,H37,,,,,33111,bmse010425,1
40,covalent,SING,C1,H39,,,,,33111,bmse010425,1
41,covalent,SING,C2,H42,,,,,33111,bmse010425,1
42,covalent,SING,C2,H40,,,,,33111,bmse010425,1
43,covalent,SING,C2,H41,,,,,33111,bmse010425,1
44,covalent,SING,C3,H44,,,,,33111,bmse010425,1
45,covalent,SING,C3,H43,,,,,33111,bmse010425,1
46,covalent,SING,C3,H45,,,,,33111,bmse010425,1
47,covalent,SING,C4,H47,,,,,33111,bmse010425,1
48,covalent,SING,C4,H46,,,,,33111,bmse010425,1
49,covalent,SING,C4,H48,,,,,33111,bmse010425,1
50,covalent,SING,C5,H51,,,,,33111,bmse010425,1
51,covalent,SING,C5,H50,,,,,33111,bmse010425,1
52,covalent,SING,C5,H49,,,,,33111,bmse010425,1
53,covalent,SING,C6,H52,,,,,33111,bmse010425,1
54,covalent,SING,C6,H53,,,,,33111,bmse010425,1
55,covalent,SING,C6,H54,,,,,33111,bmse010425,1
56,covalent,SING,C7,H55,,,,,33111,bmse010425,1
57,covalent,SING,C8,H56,,,,,33111,bmse010425,1
58,covalent,SING,C9,H57,,,,,33111,bmse010425,1
59,covalent,SING,C10,H58,,,,,33111,bmse010425,1
60,covalent,SING,C11,H59,,,,,33111,bmse010425,1
61,covalent,SING,C12,H60,,,,,33111,bmse010425,1
62,covalent,SING,C13,H61,,,,,33111,bmse010425,1
63,covalent,SING,C14,H62,,,,,33111,bmse010425,1
64,covalent,SING,C14,H63,,,,,33111,bmse010425,1
65,covalent,SING,C15,H64,,,,,33111,bmse010425,1
66,covalent,SING,C25,H65,,,,,33111,bmse010425,1
67,covalent,SING,C26,H66,,,,,33111,bmse010425,1
1,covalent,SING,C1,C16,,,,,33131,bmse010426,1
2,covalent,SING,C2,C17,,,,,33131,bmse010426,1
3,covalent,SING,C3,C18,,,,,33131,bmse010426,1
4,covalent,SING,C4,C19,,,,,33131,bmse010426,1
5,covalent,SING,C5,C20,,,,,33131,bmse010426,1
6,covalent,SING,C6,O34,,,,,33131,bmse010426,1
7,covalent,SING,C7,O35,,,,,33131,bmse010426,1
8,covalent,SING,C8,O36,,,,,33131,bmse010426,1
9,covalent,DOUB,C9,C10,,,,,33131,bmse010426,1
10,covalent,SING,C9,C21,,,,,33131,bmse010426,1
11,covalent,SING,C10,C23,,,,,33131,bmse010426,1
12,covalent,SING,C11,C16,,,,,33131,bmse010426,1
13,covalent,SING,C11,C17,,,,,33131,bmse010426,1
14,covalent,DOUB,C12,C21,,,,,33131,bmse010426,1
15,covalent,SING,C12,C24,,,,,33131,bmse010426,1
16,covalent,DOUB,C13,C22,,,,,33131,bmse010426,1
17,covalent,SING,C13,C25,,,,,33131,bmse010426,1
18,covalent,SING,C14,C22,,,,,33131,bmse010426,1
19,covalent,DOUB,C14,C26,,,,,33131,bmse010426,1
20,covalent,SING,C15,C27,,,,,33131,bmse010426,1
21,covalent,SING,C15,O37,,,,,33131,bmse010426,1
22,covalent,SING,C16,C22,,,,,33131,bmse010426,1
23,covalent,DOUB,C17,O30,,,,,33131,bmse010426,1
24,covalent,DOUB,C18,O31,,,,,33131,bmse010426,1
25,covalent,SING,C18,O37,,,,,33131,bmse010426,1
26,covalent,DOUB,C19,O32,,,,,33131,bmse010426,1
27,covalent,SING,C19,O38,,,,,33131,bmse010426,1
28,covalent,DOUB,C20,O33,,,,,33131,bmse010426,1
29,covalent,SING,C20,O39,,,,,33131,bmse010426,1
30,covalent,SING,C21,C28,,,,,33131,bmse010426,1
31,covalent,DOUB,C23,C24,,,,,33131,bmse010426,1
32,covalent,SING,C23,O38,,,,,33131,bmse010426,1
33,covalent,SING,C24,O34,,,,,33131,bmse010426,1
34,covalent,DOUB,C25,C29,,,,,33131,bmse010426,1
35,covalent,SING,C25,O35,,,,,33131,bmse010426,1
36,covalent,SING,C26,C29,,,,,33131,bmse010426,1
37,covalent,SING,C26,O36,,,,,33131,bmse010426,1
38,covalent,SING,C27,C28,,,,,33131,bmse010426,1
39,covalent,SING,C27,O40,,,,,33131,bmse010426,1
40,covalent,SING,C28,O39,,,,,33131,bmse010426,1
41,covalent,SING,C29,O40,,,,,33131,bmse010426,1
42,covalent,SING,C1,H41,,,,,33131,bmse010426,1
43,covalent,SING,C1,H42,,,,,33131,bmse010426,1
44,covalent,SING,C1,H43,,,,,33131,bmse010426,1
45,covalent,SING,C2,H44,,,,,33131,bmse010426,1
46,covalent,SING,C2,H45,,,,,33131,bmse010426,1
47,covalent,SING,C2,H46,,,,,33131,bmse010426,1
48,covalent,SING,C3,H47,,,,,33131,bmse010426,1
49,covalent,SING,C3,H48,,,,,33131,bmse010426,1
50,covalent,SING,C3,H49,,,,,33131,bmse010426,1
51,covalent,SING,C4,H50,,,,,33131,bmse010426,1
52,covalent,SING,C4,H51,,,,,33131,bmse010426,1
53,covalent,SING,C4,H52,,,,,33131,bmse010426,1
54,covalent,SING,C5,H53,,,,,33131,bmse010426,1
55,covalent,SING,C5,H54,,,,,33131,bmse010426,1
56,covalent,SING,C5,H55,,,,,33131,bmse010426,1
57,covalent,SING,C6,H56,,,,,33131,bmse010426,1
58,covalent,SING,C6,H57,,,,,33131,bmse010426,1
59,covalent,SING,C6,H58,,,,,33131,bmse010426,1
60,covalent,SING,C7,H59,,,,,33131,bmse010426,1
61,covalent,SING,C7,H60,,,,,33131,bmse010426,1
62,covalent,SING,C7,H61,,,,,33131,bmse010426,1
63,covalent,SING,C8,H62,,,,,33131,bmse010426,1
64,covalent,SING,C8,H63,,,,,33131,bmse010426,1
65,covalent,SING,C8,H64,,,,,33131,bmse010426,1
66,covalent,SING,C9,H65,,,,,33131,bmse010426,1
67,covalent,SING,C10,H66,,,,,33131,bmse010426,1
68,covalent,SING,C11,H67,,,,,33131,bmse010426,1
69,covalent,SING,C11,H68,,,,,33131,bmse010426,1
70,covalent,SING,C12,H69,,,,,33131,bmse010426,1
71,covalent,SING,C13,H70,,,,,33131,bmse010426,1
72,covalent,SING,C14,H71,,,,,33131,bmse010426,1
73,covalent,SING,C15,H72,,,,,33131,bmse010426,1
74,covalent,SING,C15,H73,,,,,33131,bmse010426,1
75,covalent,SING,C16,H74,,,,,33131,bmse010426,1
76,covalent,SING,C27,H75,,,,,33131,bmse010426,1
77,covalent,SING,C28,H76,,,,,33131,bmse010426,1
1,covalent,SING,C1,C15,,,,,33151,bmse010427,1
2,covalent,SING,C2,C16,,,,,33151,bmse010427,1
3,covalent,SING,C3,C17,,,,,33151,bmse010427,1
4,covalent,SING,C4,C18,,,,,33151,bmse010427,1
5,covalent,SING,C5,C19,,,,,33151,bmse010427,1
6,covalent,SING,C6,O32,,,,,33151,bmse010427,1
7,covalent,SING,C7,O33,,,,,33151,bmse010427,1
8,covalent,DOUB,C8,C10,,,,,33151,bmse010427,1
9,covalent,SING,C8,C20,,,,,33151,bmse010427,1
10,covalent,DOUB,C9,C11,,,,,33151,bmse010427,1
11,covalent,SING,C9,C21,,,,,33151,bmse010427,1
12,covalent,SING,C10,C23,,,,,33151,bmse010427,1
13,covalent,SING,C11,C22,,,,,33151,bmse010427,1
14,covalent,DOUB,C12,C20,,,,,33151,bmse010427,1
15,covalent,SING,C12,C24,,,,,33151,bmse010427,1
16,covalent,DOUB,C13,C21,,,,,33151,bmse010427,1
17,covalent,SING,C13,C25,,,,,33151,bmse010427,1
18,covalent,SING,C14,C26,,,,,33151,bmse010427,1
19,covalent,SING,C14,O34,,,,,33151,bmse010427,1
20,covalent,SING,C15,C20,,,,,33151,bmse010427,1
21,covalent,SING,C15,O35,,,,,33151,bmse010427,1
22,covalent,DOUB,C16,O28,,,,,33151,bmse010427,1
23,covalent,SING,C16,O34,,,,,33151,bmse010427,1
24,covalent,DOUB,C17,O29,,,,,33151,bmse010427,1
25,covalent,SING,C17,O35,,,,,33151,bmse010427,1
26,covalent,DOUB,C18,O30,,,,,33151,bmse010427,1
27,covalent,SING,C18,O36,,,,,33151,bmse010427,1
28,covalent,DOUB,C19,O31,,,,,33151,bmse010427,1
29,covalent,SING,C19,O37,,,,,33151,bmse010427,1
30,covalent,SING,C21,C27,,,,,33151,bmse010427,1
31,covalent,DOUB,C22,C25,,,,,33151,bmse010427,1
32,covalent,SING,C22,O36,,,,,33151,bmse010427,1
33,covalent,DOUB,C23,C24,,,,,33151,bmse010427,1
34,covalent,SING,C23,O38,,,,,33151,bmse010427,1
35,covalent,SING,C24,O32,,,,,33151,bmse010427,1
36,covalent,SING,C25,O33,,,,,33151,bmse010427,1
37,covalent,SING,C26,C27,,,,,33151,bmse010427,1
38,covalent,SING,C26,O38,,,,,33151,bmse010427,1
39,covalent,SING,C27,O37,,,,,33151,bmse010427,1
40,covalent,SING,C1,H40,,,,,33151,bmse010427,1
41,covalent,SING,C1,H41,,,,,33151,bmse010427,1
42,covalent,SING,C1,H39,,,,,33151,bmse010427,1
43,covalent,SING,C2,H44,,,,,33151,bmse010427,1
44,covalent,SING,C2,H42,,,,,33151,bmse010427,1
45,covalent,SING,C2,H43,,,,,33151,bmse010427,1
46,covalent,SING,C3,H46,,,,,33151,bmse010427,1
47,covalent,SING,C3,H47,,,,,33151,bmse010427,1
48,covalent,SING,C3,H45,,,,,33151,bmse010427,1
49,covalent,SING,C4,H49,,,,,33151,bmse010427,1
50,covalent,SING,C4,H48,,,,,33151,bmse010427,1
51,covalent,SING,C4,H50,,,,,33151,bmse010427,1
52,covalent,SING,C5,H53,,,,,33151,bmse010427,1
53,covalent,SING,C5,H52,,,,,33151,bmse010427,1
54,covalent,SING,C5,H51,,,,,33151,bmse010427,1
55,covalent,SING,C6,H55,,,,,33151,bmse010427,1
56,covalent,SING,C6,H54,,,,,33151,bmse010427,1
57,covalent,SING,C6,H56,,,,,33151,bmse010427,1
58,covalent,SING,C7,H57,,,,,33151,bmse010427,1
59,covalent,SING,C7,H58,,,,,33151,bmse010427,1
60,covalent,SING,C7,H59,,,,,33151,bmse010427,1
61,covalent,SING,C8,H60,,,,,33151,bmse010427,1
62,covalent,SING,C9,H61,,,,,33151,bmse010427,1
63,covalent,SING,C10,H62,,,,,33151,bmse010427,1
64,covalent,SING,C11,H63,,,,,33151,bmse010427,1
65,covalent,SING,C12,H64,,,,,33151,bmse010427,1
66,covalent,SING,C13,H65,,,,,33151,bmse010427,1
67,covalent,SING,C14,H66,,,,,33151,bmse010427,1
68,covalent,SING,C14,H67,,,,,33151,bmse010427,1
69,covalent,SING,C15,H68,,,,,33151,bmse010427,1
70,covalent,SING,C26,H69,,,,,33151,bmse010427,1
71,covalent,SING,C27,H70,,,,,33151,bmse010427,1
1,covalent,DOUB,C1,C2,,,,,33171,bmse010428,1
2,covalent,SING,C1,C7,,,,,33171,bmse010428,1
3,covalent,SING,C2,C9,,,,,33171,bmse010428,1
4,covalent,SING,C3,C5,,,,,33171,bmse010428,1
5,covalent,DOUB,C3,C9,,,,,33171,bmse010428,1
6,covalent,DOUB,C4,C6,,,,,33171,bmse010428,1
7,covalent,SING,C4,C9,,,,,33171,bmse010428,1
8,covalent,DOUB,C5,C10,,,,,33171,bmse010428,1
9,covalent,SING,C6,C10,,,,,33171,bmse010428,1
10,covalent,SING,C7,O16,,,,,33171,bmse010428,1
11,covalent,SING,C11,C8,,,,,33171,bmse010428,1
12,covalent,SING,C8,O17,,,,,33171,bmse010428,1
13,covalent,SING,C10,O21,,,,,33171,bmse010428,1
14,covalent,SING,C11,C12,,,,,33171,bmse010428,1
15,covalent,SING,C11,O22,,,,,33171,bmse010428,1
16,covalent,SING,C12,C13,,,,,33171,bmse010428,1
17,covalent,SING,C12,O18,,,,,33171,bmse010428,1
18,covalent,SING,C13,C14,,,,,33171,bmse010428,1
19,covalent,SING,C13,O19,,,,,33171,bmse010428,1
20,covalent,SING,C14,C15,,,,,33171,bmse010428,1
21,covalent,SING,C14,O20,,,,,33171,bmse010428,1
22,covalent,SING,C15,O21,,,,,33171,bmse010428,1
23,covalent,SING,C15,O22,,,,,33171,bmse010428,1
24,covalent,SING,C1,H23,,,,,33171,bmse010428,1
25,covalent,SING,C2,H24,,,,,33171,bmse010428,1
26,covalent,SING,C3,H25,,,,,33171,bmse010428,1
27,covalent,SING,C4,H26,,,,,33171,bmse010428,1
28,covalent,SING,C5,H27,,,,,33171,bmse010428,1
29,covalent,SING,C6,H28,,,,,33171,bmse010428,1
30,covalent,SING,C7,H29,,,,,33171,bmse010428,1
31,covalent,SING,C7,H30,,,,,33171,bmse010428,1
32,covalent,SING,C8,H31,,,,,33171,bmse010428,1
33,covalent,SING,C8,H32,,,,,33171,bmse010428,1
34,covalent,SING,C11,H33,,,,,33171,bmse010428,1
35,covalent,SING,C12,H34,,,,,33171,bmse010428,1
36,covalent,SING,C13,H35,,,,,33171,bmse010428,1
37,covalent,SING,C14,H36,,,,,33171,bmse010428,1
38,covalent,SING,C15,H37,,,,,33171,bmse010428,1
39,covalent,SING,O16,H38,,,,,33171,bmse010428,1
40,covalent,SING,O17,H39,,,,,33171,bmse010428,1
41,covalent,SING,O18,H40,,,,,33171,bmse010428,1
42,covalent,SING,O19,H41,,,,,33171,bmse010428,1
43,covalent,SING,O20,H42,,,,,33171,bmse010428,1
1,covalent,SING,C1,C14,,,,,33185,bmse010430,1
2,covalent,SING,C2,C15,,,,,33185,bmse010430,1
3,covalent,SING,C3,C16,,,,,33185,bmse010430,1
4,covalent,SING,C4,C17,,,,,33185,bmse010430,1
5,covalent,SING,C5,O30,,,,,33185,bmse010430,1
6,covalent,SING,C6,O31,,,,,33185,bmse010430,1
7,covalent,DOUB,C7,C9,,,,,33185,bmse010430,1
8,covalent,SING,C7,C18,,,,,33185,bmse010430,1
9,covalent,DOUB,C8,C10,,,,,33185,bmse010430,1
10,covalent,SING,C8,C19,,,,,33185,bmse010430,1
11,covalent,SING,C9,C21,,,,,33185,bmse010430,1
12,covalent,SING,C10,C22,,,,,33185,bmse010430,1
13,covalent,DOUB,C11,C18,,,,,33185,bmse010430,1
14,covalent,SING,C11,C23,,,,,33185,bmse010430,1
15,covalent,DOUB,C12,C19,,,,,33185,bmse010430,1
16,covalent,SING,C12,C24,,,,,33185,bmse010430,1
17,covalent,SING,C13,C20,,,,,33185,bmse010430,1
18,covalent,SING,C13,O32,,,,,33185,bmse010430,1
19,covalent,DOUB,C14,O26,,,,,33185,bmse010430,1
20,covalent,SING,C14,O32,,,,,33185,bmse010430,1
21,covalent,DOUB,C15,O27,,,,,33185,bmse010430,1
22,covalent,SING,C15,O33,,,,,33185,bmse010430,1
23,covalent,DOUB,C16,O28,,,,,33185,bmse010430,1
24,covalent,SING,C16,O34,,,,,33185,bmse010430,1
25,covalent,DOUB,C17,O29,,,,,33185,bmse010430,1
26,covalent,SING,C17,O35,,,,,33185,bmse010430,1
27,covalent,SING,C18,C20,,,,,33185,bmse010430,1
28,covalent,SING,C19,C25,,,,,33185,bmse010430,1
29,covalent,SING,C20,C25,,,,,33185,bmse010430,1
30,covalent,DOUB,C21,C23,,,,,33185,bmse010430,1
31,covalent,SING,C21,O33,,,,,33185,bmse010430,1
32,covalent,DOUB,C22,C24,,,,,33185,bmse010430,1
33,covalent,SING,C22,O34,,,,,33185,bmse010430,1
34,covalent,SING,C23,O30,,,,,33185,bmse010430,1
35,covalent,SING,C24,O31,,,,,33185,bmse010430,1
36,covalent,SING,C25,O35,,,,,33185,bmse010430,1
37,covalent,SING,C1,H37,,,,,33185,bmse010430,1
38,covalent,SING,C1,H36,,,,,33185,bmse010430,1
39,covalent,SING,C1,H38,,,,,33185,bmse010430,1
40,covalent,SING,C2,H40,,,,,33185,bmse010430,1
41,covalent,SING,C2,H39,,,,,33185,bmse010430,1
42,covalent,SING,C2,H41,,,,,33185,bmse010430,1
43,covalent,SING,C3,H44,,,,,33185,bmse010430,1
44,covalent,SING,C3,H42,,,,,33185,bmse010430,1
45,covalent,SING,C3,H43,,,,,33185,bmse010430,1
46,covalent,SING,C4,H46,,,,,33185,bmse010430,1
47,covalent,SING,C4,H47,,,,,33185,bmse010430,1
48,covalent,SING,C4,H45,,,,,33185,bmse010430,1
49,covalent,SING,C5,H49,,,,,33185,bmse010430,1
50,covalent,SING,C5,H48,,,,,33185,bmse010430,1
51,covalent,SING,C5,H50,,,,,33185,bmse010430,1
52,covalent,SING,C6,H53,,,,,33185,bmse010430,1
53,covalent,SING,C6,H51,,,,,33185,bmse010430,1
54,covalent,SING,C6,H52,,,,,33185,bmse010430,1
55,covalent,SING,C7,H54,,,,,33185,bmse010430,1
56,covalent,SING,C8,H55,,,,,33185,bmse010430,1
57,covalent,SING,C9,H56,,,,,33185,bmse010430,1
58,covalent,SING,C10,H57,,,,,33185,bmse010430,1
59,covalent,SING,C11,H58,,,,,33185,bmse010430,1
60,covalent,SING,C12,H59,,,,,33185,bmse010430,1
61,covalent,SING,C13,H60,,,,,33185,bmse010430,1
62,covalent,SING,C13,H61,,,,,33185,bmse010430,1
63,covalent,SING,C20,H62,,,,,33185,bmse010430,1
64,covalent,SING,C25,H63,,,,,33185,bmse010430,1
1,covalent,SING,C1,C14,,,,,33205,bmse010432,1
2,covalent,SING,C2,C15,,,,,33205,bmse010432,1
3,covalent,SING,C3,C16,,,,,33205,bmse010432,1
4,covalent,SING,C4,C17,,,,,33205,bmse010432,1
5,covalent,SING,C5,O28,,,,,33205,bmse010432,1
6,covalent,SING,C6,O29,,,,,33205,bmse010432,1
7,covalent,DOUB,C7,C9,,,,,33205,bmse010432,1
8,covalent,SING,C7,C14,,,,,33205,bmse010432,1
9,covalent,DOUB,C8,C10,,,,,33205,bmse010432,1
10,covalent,SING,C8,C18,,,,,33205,bmse010432,1
11,covalent,SING,C9,C20,,,,,33205,bmse010432,1
12,covalent,SING,C10,C19,,,,,33205,bmse010432,1
13,covalent,DOUB,C11,C14,,,,,33205,bmse010432,1
14,covalent,SING,C11,C21,,,,,33205,bmse010432,1
15,covalent,DOUB,C12,C18,,,,,33205,bmse010432,1
16,covalent,SING,C12,C22,,,,,33205,bmse010432,1
17,covalent,SING,C13,C23,,,,,33205,bmse010432,1
18,covalent,SING,C13,O30,,,,,33205,bmse010432,1
19,covalent,DOUB,C15,O25,,,,,33205,bmse010432,1
20,covalent,SING,C15,O30,,,,,33205,bmse010432,1
21,covalent,DOUB,C16,O26,,,,,33205,bmse010432,1
22,covalent,SING,C16,O31,,,,,33205,bmse010432,1
23,covalent,DOUB,C17,O27,,,,,33205,bmse010432,1
24,covalent,SING,C17,O32,,,,,33205,bmse010432,1
25,covalent,SING,C18,C24,,,,,33205,bmse010432,1
26,covalent,DOUB,C19,C22,,,,,33205,bmse010432,1
27,covalent,SING,C19,O31,,,,,33205,bmse010432,1
28,covalent,DOUB,C20,C21,,,,,33205,bmse010432,1
29,covalent,SING,C20,O33,,,,,33205,bmse010432,1
30,covalent,SING,C21,O28,,,,,33205,bmse010432,1
31,covalent,SING,C22,O29,,,,,33205,bmse010432,1
32,covalent,SING,C23,C24,,,,,33205,bmse010432,1
33,covalent,SING,C23,O33,,,,,33205,bmse010432,1
34,covalent,SING,C24,O32,,,,,33205,bmse010432,1
35,covalent,SING,C1,H34,,,,,33205,bmse010432,1
36,covalent,SING,C1,H35,,,,,33205,bmse010432,1
37,covalent,SING,C1,H36,,,,,33205,bmse010432,1
38,covalent,SING,C2,H37,,,,,33205,bmse010432,1
39,covalent,SING,C2,H39,,,,,33205,bmse010432,1
40,covalent,SING,C2,H38,,,,,33205,bmse010432,1
41,covalent,SING,C3,H41,,,,,33205,bmse010432,1
42,covalent,SING,C3,H40,,,,,33205,bmse010432,1
43,covalent,SING,C3,H42,,,,,33205,bmse010432,1
44,covalent,SING,C4,H45,,,,,33205,bmse010432,1
45,covalent,SING,C4,H44,,,,,33205,bmse010432,1
46,covalent,SING,C4,H43,,,,,33205,bmse010432,1
47,covalent,SING,C5,H47,,,,,33205,bmse010432,1
48,covalent,SING,C5,H46,,,,,33205,bmse010432,1
49,covalent,SING,C5,H48,,,,,33205,bmse010432,1
50,covalent,SING,C6,H49,,,,,33205,bmse010432,1
51,covalent,SING,C6,H50,,,,,33205,bmse010432,1
52,covalent,SING,C6,H51,,,,,33205,bmse010432,1
53,covalent,SING,C7,H52,,,,,33205,bmse010432,1
54,covalent,SING,C8,H53,,,,,33205,bmse010432,1
55,covalent,SING,C9,H54,,,,,33205,bmse010432,1
56,covalent,SING,C10,H55,,,,,33205,bmse010432,1
57,covalent,SING,C11,H56,,,,,33205,bmse010432,1
58,covalent,SING,C12,H57,,,,,33205,bmse010432,1
59,covalent,SING,C13,H58,,,,,33205,bmse010432,1
60,covalent,SING,C13,H59,,,,,33205,bmse010432,1
61,covalent,SING,C23,H60,,,,,33205,bmse010432,1
62,covalent,SING,C24,H61,,,,,33205,bmse010432,1
1,covalent,SING,C1,C14,,,,,33225,bmse010433,1
2,covalent,SING,C2,C15,,,,,33225,bmse010433,1
3,covalent,SING,C3,C16,,,,,33225,bmse010433,1
4,covalent,SING,C4,C17,,,,,33225,bmse010433,1
5,covalent,SING,C5,O30,,,,,33225,bmse010433,1
6,covalent,SING,C6,O31,,,,,33225,bmse010433,1
7,covalent,SING,C7,O32,,,,,33225,bmse010433,1
8,covalent,SING,C8,O33,,,,,33225,bmse010433,1
9,covalent,DOUB,C9,C14,,,,,33225,bmse010433,1
10,covalent,SING,C9,C19,,,,,33225,bmse010433,1
11,covalent,SING,C10,C14,,,,,33225,bmse010433,1
12,covalent,DOUB,C10,C20,,,,,33225,bmse010433,1
13,covalent,DOUB,C11,C18,,,,,33225,bmse010433,1
14,covalent,SING,C11,C21,,,,,33225,bmse010433,1
15,covalent,SING,C12,C18,,,,,33225,bmse010433,1
16,covalent,DOUB,C12,C22,,,,,33225,bmse010433,1
17,covalent,SING,C13,C23,,,,,33225,bmse010433,1
18,covalent,SING,C13,O34,,,,,33225,bmse010433,1
19,covalent,DOUB,C15,O27,,,,,33225,bmse010433,1
20,covalent,SING,C15,O34,,,,,33225,bmse010433,1
21,covalent,DOUB,C16,O28,,,,,33225,bmse010433,1
22,covalent,SING,C16,O35,,,,,33225,bmse010433,1
23,covalent,DOUB,C17,O29,,,,,33225,bmse010433,1
24,covalent,SING,C17,O36,,,,,33225,bmse010433,1
25,covalent,SING,C18,C24,,,,,33225,bmse010433,1
26,covalent,DOUB,C19,C26,,,,,33225,bmse010433,1
27,covalent,SING,C19,O30,,,,,33225,bmse010433,1
28,covalent,SING,C20,C26,,,,,33225,bmse010433,1
29,covalent,SING,C20,O31,,,,,33225,bmse010433,1
30,covalent,DOUB,C21,C25,,,,,33225,bmse010433,1
31,covalent,SING,C21,O32,,,,,33225,bmse010433,1
32,covalent,SING,C22,C25,,,,,33225,bmse010433,1
33,covalent,SING,C22,O33,,,,,33225,bmse010433,1
34,covalent,SING,C23,C24,,,,,33225,bmse010433,1
35,covalent,SING,C23,O37,,,,,33225,bmse010433,1
36,covalent,SING,C24,O35,,,,,33225,bmse010433,1
37,covalent,SING,C25,O36,,,,,33225,bmse010433,1
38,covalent,SING,C26,O37,,,,,33225,bmse010433,1
39,covalent,SING,C1,H39,,,,,33225,bmse010433,1
40,covalent,SING,C1,H38,,,,,33225,bmse010433,1
41,covalent,SING,C1,H40,,,,,33225,bmse010433,1
42,covalent,SING,C2,H41,,,,,33225,bmse010433,1
43,covalent,SING,C2,H42,,,,,33225,bmse010433,1
44,covalent,SING,C2,H43,,,,,33225,bmse010433,1
45,covalent,SING,C3,H44,,,,,33225,bmse010433,1
46,covalent,SING,C3,H45,,,,,33225,bmse010433,1
47,covalent,SING,C3,H46,,,,,33225,bmse010433,1
48,covalent,SING,C4,H48,,,,,33225,bmse010433,1
49,covalent,SING,C4,H47,,,,,33225,bmse010433,1
50,covalent,SING,C4,H49,,,,,33225,bmse010433,1
51,covalent,SING,C5,H50,,,,,33225,bmse010433,1
52,covalent,SING,C5,H52,,,,,33225,bmse010433,1
53,covalent,SING,C5,H51,,,,,33225,bmse010433,1
54,covalent,SING,C6,H54,,,,,33225,bmse010433,1
55,covalent,SING,C6,H53,,,,,33225,bmse010433,1
56,covalent,SING,C6,H55,,,,,33225,bmse010433,1
57,covalent,SING,C7,H56,,,,,33225,bmse010433,1
58,covalent,SING,C7,H58,,,,,33225,bmse010433,1
59,covalent,SING,C7,H57,,,,,33225,bmse010433,1
60,covalent,SING,C8,H60,,,,,33225,bmse010433,1
61,covalent,SING,C8,H61,,,,,33225,bmse010433,1
62,covalent,SING,C8,H59,,,,,33225,bmse010433,1
63,covalent,SING,C9,H62,,,,,33225,bmse010433,1
64,covalent,SING,C10,H63,,,,,33225,bmse010433,1
65,covalent,SING,C11,H64,,,,,33225,bmse010433,1
66,covalent,SING,C12,H65,,,,,33225,bmse010433,1
67,covalent,SING,C13,H66,,,,,33225,bmse010433,1
68,covalent,SING,C13,H67,,,,,33225,bmse010433,1
69,covalent,SING,C23,H68,,,,,33225,bmse010433,1
70,covalent,SING,C24,H69,,,,,33225,bmse010433,1
1,covalent,SING,C1,C21,,,,,33245,bmse010434,1
2,covalent,SING,C2,C22,,,,,33245,bmse010434,1
3,covalent,SING,C3,C23,,,,,33245,bmse010434,1
4,covalent,SING,C4,C24,,,,,33245,bmse010434,1
5,covalent,SING,C5,C25,,,,,33245,bmse010434,1
6,covalent,SING,C6,C26,,,,,33245,bmse010434,1
7,covalent,SING,C7,O46,,,,,33245,bmse010434,1
8,covalent,SING,C8,O47,,,,,33245,bmse010434,1
9,covalent,SING,C9,O48,,,,,33245,bmse010434,1
10,covalent,DOUB,C10,C13,,,,,33245,bmse010434,1
11,covalent,SING,C10,C27,,,,,33245,bmse010434,1
12,covalent,DOUB,C11,C15,,,,,33245,bmse010434,1
13,covalent,SING,C11,C28,,,,,33245,bmse010434,1
14,covalent,DOUB,C12,C14,,,,,33245,bmse010434,1
15,covalent,SING,C12,C29,,,,,33245,bmse010434,1
16,covalent,SING,C13,C31,,,,,33245,bmse010434,1
17,covalent,SING,C14,C32,,,,,33245,bmse010434,1
18,covalent,SING,C15,C33,,,,,33245,bmse010434,1
19,covalent,DOUB,C16,C27,,,,,33245,bmse010434,1
20,covalent,SING,C16,C34,,,,,33245,bmse010434,1
21,covalent,DOUB,C17,C28,,,,,33245,bmse010434,1
22,covalent,SING,C17,C36,,,,,33245,bmse010434,1
23,covalent,DOUB,C18,C29,,,,,33245,bmse010434,1
24,covalent,SING,C18,C35,,,,,33245,bmse010434,1
25,covalent,SING,C19,C30,,,,,33245,bmse010434,1
26,covalent,SING,C19,O49,,,,,33245,bmse010434,1
27,covalent,SING,C20,C37,,,,,33245,bmse010434,1
28,covalent,SING,C20,O50,,,,,33245,bmse010434,1
29,covalent,DOUB,C21,O40,,,,,33245,bmse010434,1
30,covalent,SING,C21,O49,,,,,33245,bmse010434,1
31,covalent,DOUB,C22,O41,,,,,33245,bmse010434,1
32,covalent,SING,C22,O50,,,,,33245,bmse010434,1
33,covalent,DOUB,C23,O42,,,,,33245,bmse010434,1
34,covalent,SING,C23,O51,,,,,33245,bmse010434,1
35,covalent,DOUB,C24,O43,,,,,33245,bmse010434,1
36,covalent,SING,C24,O52,,,,,33245,bmse010434,1
37,covalent,DOUB,C25,O44,,,,,33245,bmse010434,1
38,covalent,SING,C25,O53,,,,,33245,bmse010434,1
39,covalent,DOUB,C26,O45,,,,,33245,bmse010434,1
40,covalent,SING,C26,O54,,,,,33245,bmse010434,1
41,covalent,SING,C27,C30,,,,,33245,bmse010434,1
42,covalent,SING,C28,C38,,,,,33245,bmse010434,1
43,covalent,SING,C29,C39,,,,,33245,bmse010434,1
44,covalent,SING,C30,C38,,,,,33245,bmse010434,1
45,covalent,DOUB,C31,C34,,,,,33245,bmse010434,1
46,covalent,SING,C31,O51,,,,,33245,bmse010434,1
47,covalent,DOUB,C32,C35,,,,,33245,bmse010434,1
48,covalent,SING,C32,O52,,,,,33245,bmse010434,1
49,covalent,DOUB,C33,C36,,,,,33245,bmse010434,1
50,covalent,SING,C33,O55,,,,,33245,bmse010434,1
51,covalent,SING,C34,O46,,,,,33245,bmse010434,1
52,covalent,SING,C35,O47,,,,,33245,bmse010434,1
53,covalent,SING,C36,O48,,,,,33245,bmse010434,1
54,covalent,SING,C37,C39,,,,,33245,bmse010434,1
55,covalent,SING,C37,O55,,,,,33245,bmse010434,1
56,covalent,SING,C38,O53,,,,,33245,bmse010434,1
57,covalent,SING,C39,O54,,,,,33245,bmse010434,1
58,covalent,SING,C1,H58,,,,,33245,bmse010434,1
59,covalent,SING,C1,H57,,,,,33245,bmse010434,1
60,covalent,SING,C1,H56,,,,,33245,bmse010434,1
61,covalent,SING,C2,H60,,,,,33245,bmse010434,1
62,covalent,SING,C2,H59,,,,,33245,bmse010434,1
63,covalent,SING,C2,H61,,,,,33245,bmse010434,1
64,covalent,SING,C3,H63,,,,,33245,bmse010434,1
65,covalent,SING,C3,H62,,,,,33245,bmse010434,1
66,covalent,SING,C3,H64,,,,,33245,bmse010434,1
67,covalent,SING,C4,H67,,,,,33245,bmse010434,1
68,covalent,SING,C4,H66,,,,,33245,bmse010434,1
69,covalent,SING,C4,H65,,,,,33245,bmse010434,1
70,covalent,SING,C5,H69,,,,,33245,bmse010434,1
71,covalent,SING,C5,H68,,,,,33245,bmse010434,1
72,covalent,SING,C5,H70,,,,,33245,bmse010434,1
73,covalent,SING,C6,H72,,,,,33245,bmse010434,1
74,covalent,SING,C6,H71,,,,,33245,bmse010434,1
75,covalent,SING,C6,H73,,,,,33245,bmse010434,1
76,covalent,SING,C7,H75,,,,,33245,bmse010434,1
77,covalent,SING,C7,H76,,,,,33245,bmse010434,1
78,covalent,SING,C7,H74,,,,,33245,bmse010434,1
79,covalent,SING,C8,H78,,,,,33245,bmse010434,1
80,covalent,SING,C8,H79,,,,,33245,bmse010434,1
81,covalent,SING,C8,H77,,,,,33245,bmse010434,1
82,covalent,SING,C9,H82,,,,,33245,bmse010434,1
83,covalent,SING,C9,H80,,,,,33245,bmse010434,1
84,covalent,SING,C9,H81,,,,,33245,bmse010434,1
85,covalent,SING,C10,H83,,,,,33245,bmse010434,1
86,covalent,SING,C11,H84,,,,,33245,bmse010434,1
87,covalent,SING,C12,H85,,,,,33245,bmse010434,1
88,covalent,SING,C13,H86,,,,,33245,bmse010434,1
89,covalent,SING,C14,H87,,,,,33245,bmse010434,1
90,covalent,SING,C15,H88,,,,,33245,bmse010434,1
91,covalent,SING,C16,H89,,,,,33245,bmse010434,1
92,covalent,SING,C17,H90,,,,,33245,bmse010434,1
93,covalent,SING,C18,H91,,,,,33245,bmse010434,1
94,covalent,SING,C19,H92,,,,,33245,bmse010434,1
95,covalent,SING,C19,H93,,,,,33245,bmse010434,1
96,covalent,SING,C20,H94,,,,,33245,bmse010434,1
97,covalent,SING,C20,H95,,,,,33245,bmse010434,1
98,covalent,SING,C30,H96,,,,,33245,bmse010434,1
99,covalent,SING,C37,H97,,,,,33245,bmse010434,1
100,covalent,SING,C38,H98,,,,,33245,bmse010434,1
101,covalent,SING,C39,H99,,,,,33245,bmse010434,1
1,covalent,SING,C1,C14,,,,,33265,bmse010435,1
2,covalent,SING,C2,C15,,,,,33265,bmse010435,1
3,covalent,SING,C3,C16,,,,,33265,bmse010435,1
4,covalent,SING,C4,C17,,,,,33265,bmse010435,1
5,covalent,SING,C5,O27,,,,,33265,bmse010435,1
6,covalent,DOUB,C6,C11,,,,,33265,bmse010435,1
7,covalent,SING,C6,C14,,,,,33265,bmse010435,1
8,covalent,SING,C7,C9,,,,,33265,bmse010435,1
9,covalent,DOUB,C7,C18,,,,,33265,bmse010435,1
10,covalent,DOUB,C8,C10,,,,,33265,bmse010435,1
11,covalent,SING,C8,C18,,,,,33265,bmse010435,1
12,covalent,DOUB,C9,C19,,,,,33265,bmse010435,1
13,covalent,SING,C10,C19,,,,,33265,bmse010435,1
14,covalent,SING,C11,C20,,,,,33265,bmse010435,1
15,covalent,DOUB,C12,C14,,,,,33265,bmse010435,1
16,covalent,SING,C12,C21,,,,,33265,bmse010435,1
17,covalent,SING,C13,C22,,,,,33265,bmse010435,1
18,covalent,SING,C13,O28,,,,,33265,bmse010435,1
19,covalent,DOUB,C15,O24,,,,,33265,bmse010435,1
20,covalent,SING,C15,O28,,,,,33265,bmse010435,1
21,covalent,DOUB,C16,O25,,,,,33265,bmse010435,1
22,covalent,SING,C16,O29,,,,,33265,bmse010435,1
23,covalent,DOUB,C17,O26,,,,,33265,bmse010435,1
24,covalent,SING,C17,O30,,,,,33265,bmse010435,1
25,covalent,SING,C18,C23,,,,,33265,bmse010435,1
26,covalent,SING,C19,O29,,,,,33265,bmse010435,1
27,covalent,DOUB,C20,C21,,,,,33265,bmse010435,1
28,covalent,SING,C20,O31,,,,,33265,bmse010435,1
29,covalent,SING,C21,O27,,,,,33265,bmse010435,1
30,covalent,SING,C22,C23,,,,,33265,bmse010435,1
31,covalent,SING,C22,O31,,,,,33265,bmse010435,1
32,covalent,SING,C23,O30,,,,,33265,bmse010435,1
33,covalent,SING,C1,H33,,,,,33265,bmse010435,1
34,covalent,SING,C1,H32,,,,,33265,bmse010435,1
35,covalent,SING,C1,H34,,,,,33265,bmse010435,1
36,covalent,SING,C2,H37,,,,,33265,bmse010435,1
37,covalent,SING,C2,H35,,,,,33265,bmse010435,1
38,covalent,SING,C2,H36,,,,,33265,bmse010435,1
39,covalent,SING,C3,H38,,,,,33265,bmse010435,1
40,covalent,SING,C3,H40,,,,,33265,bmse010435,1
41,covalent,SING,C3,H39,,,,,33265,bmse010435,1
42,covalent,SING,C4,H43,,,,,33265,bmse010435,1
43,covalent,SING,C4,H42,,,,,33265,bmse010435,1
44,covalent,SING,C4,H41,,,,,33265,bmse010435,1
45,covalent,SING,C5,H45,,,,,33265,bmse010435,1
46,covalent,SING,C5,H44,,,,,33265,bmse010435,1
47,covalent,SING,C5,H46,,,,,33265,bmse010435,1
48,covalent,SING,C6,H47,,,,,33265,bmse010435,1
49,covalent,SING,C7,H48,,,,,33265,bmse010435,1
50,covalent,SING,C8,H49,,,,,33265,bmse010435,1
51,covalent,SING,C9,H50,,,,,33265,bmse010435,1
52,covalent,SING,C10,H51,,,,,33265,bmse010435,1
53,covalent,SING,C11,H52,,,,,33265,bmse010435,1
54,covalent,SING,C12,H53,,,,,33265,bmse010435,1
55,covalent,SING,C13,H54,,,,,33265,bmse010435,1
56,covalent,SING,C13,H55,,,,,33265,bmse010435,1
57,covalent,SING,C22,H56,,,,,33265,bmse010435,1
58,covalent,SING,C23,H57,,,,,33265,bmse010435,1
1,covalent,SING,C1,C10,,,,,33285,bmse010436,1
2,covalent,SING,C2,C11,,,,,33285,bmse010436,1
3,covalent,SING,C3,C12,,,,,33285,bmse010436,1
4,covalent,SING,C4,C13,,,,,33285,bmse010436,1
5,covalent,SING,C5,O23,,,,,33285,bmse010436,1
6,covalent,DOUB,C6,C7,,,,,33285,bmse010436,1
7,covalent,SING,C6,C14,,,,,33285,bmse010436,1
8,covalent,SING,C7,C15,,,,,33285,bmse010436,1
9,covalent,DOUB,C8,C14,,,,,33285,bmse010436,1
10,covalent,SING,C8,C16,,,,,33285,bmse010436,1
11,covalent,SING,C9,C17,,,,,33285,bmse010436,1
12,covalent,SING,C9,O24,,,,,33285,bmse010436,1
13,covalent,DOUB,C10,O19,,,,,33285,bmse010436,1
14,covalent,SING,C10,O24,,,,,33285,bmse010436,1
15,covalent,DOUB,C11,O20,,,,,33285,bmse010436,1
16,covalent,SING,C11,O25,,,,,33285,bmse010436,1
17,covalent,DOUB,C12,O21,,,,,33285,bmse010436,1
18,covalent,SING,C12,O26,,,,,33285,bmse010436,1
19,covalent,DOUB,C13,O22,,,,,33285,bmse010436,1
20,covalent,SING,C13,O27,,,,,33285,bmse010436,1
21,covalent,SING,C14,C18,,,,,33285,bmse010436,1
22,covalent,DOUB,C15,C16,,,,,33285,bmse010436,1
23,covalent,SING,C15,O25,,,,,33285,bmse010436,1
24,covalent,SING,C16,O23,,,,,33285,bmse010436,1
25,covalent,SING,C17,C18,,,,,33285,bmse010436,1
26,covalent,SING,C17,O26,,,,,33285,bmse010436,1
27,covalent,SING,C18,O27,,,,,33285,bmse010436,1
28,covalent,SING,C1,H29,,,,,33285,bmse010436,1
29,covalent,SING,C1,H28,,,,,33285,bmse010436,1
30,covalent,SING,C1,H30,,,,,33285,bmse010436,1
31,covalent,SING,C2,H32,,,,,33285,bmse010436,1
32,covalent,SING,C2,H31,,,,,33285,bmse010436,1
33,covalent,SING,C2,H33,,,,,33285,bmse010436,1
34,covalent,SING,C3,H35,,,,,33285,bmse010436,1
35,covalent,SING,C3,H36,,,,,33285,bmse010436,1
36,covalent,SING,C3,H34,,,,,33285,bmse010436,1
37,covalent,SING,C4,H39,,,,,33285,bmse010436,1
38,covalent,SING,C4,H37,,,,,33285,bmse010436,1
39,covalent,SING,C4,H38,,,,,33285,bmse010436,1
40,covalent,SING,C5,H41,,,,,33285,bmse010436,1
41,covalent,SING,C5,H42,,,,,33285,bmse010436,1
42,covalent,SING,C5,H40,,,,,33285,bmse010436,1
43,covalent,SING,C6,H43,,,,,33285,bmse010436,1
44,covalent,SING,C7,H44,,,,,33285,bmse010436,1
45,covalent,SING,C8,H45,,,,,33285,bmse010436,1
46,covalent,SING,C9,H46,,,,,33285,bmse010436,1
47,covalent,SING,C9,H47,,,,,33285,bmse010436,1
48,covalent,SING,C17,H48,,,,,33285,bmse010436,1
49,covalent,SING,C18,H49,,,,,33285,bmse010436,1
1,covalent,SING,C1,C11,,,,,33305,bmse010437,1
2,covalent,SING,C2,O21,,,,,33305,bmse010437,1
3,covalent,DOUB,C3,C8,,,,,33305,bmse010437,1
4,covalent,SING,C3,C11,,,,,33305,bmse010437,1
5,covalent,SING,C4,C6,,,,,33305,bmse010437,1
6,covalent,DOUB,C4,C12,,,,,33305,bmse010437,1
7,covalent,DOUB,C5,C7,,,,,33305,bmse010437,1
8,covalent,SING,C5,C12,,,,,33305,bmse010437,1
9,covalent,DOUB,C6,C13,,,,,33305,bmse010437,1
10,covalent,SING,C7,C13,,,,,33305,bmse010437,1
11,covalent,SING,C8,C14,,,,,33305,bmse010437,1
12,covalent,DOUB,C9,C11,,,,,33305,bmse010437,1
13,covalent,SING,C9,C15,,,,,33305,bmse010437,1
14,covalent,SING,C10,C16,,,,,33305,bmse010437,1
15,covalent,SING,C10,O18,,,,,33305,bmse010437,1
16,covalent,SING,C12,C17,,,,,33305,bmse010437,1
17,covalent,SING,C13,O19,,,,,33305,bmse010437,1
18,covalent,DOUB,C14,C15,,,,,33305,bmse010437,1
19,covalent,SING,C14,O22,,,,,33305,bmse010437,1
20,covalent,SING,C15,O21,,,,,33305,bmse010437,1
21,covalent,SING,C16,C17,,,,,33305,bmse010437,1
22,covalent,SING,C16,O22,,,,,33305,bmse010437,1
23,covalent,SING,C17,O20,,,,,33305,bmse010437,1
24,covalent,SING,C1,H24,,,,,33305,bmse010437,1
25,covalent,SING,C1,H23,,,,,33305,bmse010437,1
26,covalent,SING,C1,H25,,,,,33305,bmse010437,1
27,covalent,SING,C2,H27,,,,,33305,bmse010437,1
28,covalent,SING,C2,H26,,,,,33305,bmse010437,1
29,covalent,SING,C2,H28,,,,,33305,bmse010437,1
30,covalent,SING,C3,H29,,,,,33305,bmse010437,1
31,covalent,SING,C4,H30,,,,,33305,bmse010437,1
32,covalent,SING,C5,H31,,,,,33305,bmse010437,1
33,covalent,SING,C6,H32,,,,,33305,bmse010437,1
34,covalent,SING,C7,H33,,,,,33305,bmse010437,1
35,covalent,SING,C8,H34,,,,,33305,bmse010437,1
36,covalent,SING,C9,H35,,,,,33305,bmse010437,1
37,covalent,SING,C10,H36,,,,,33305,bmse010437,1
38,covalent,SING,C10,H37,,,,,33305,bmse010437,1
39,covalent,SING,C16,H38,,,,,33305,bmse010437,1
40,covalent,SING,C17,H39,,,,,33305,bmse010437,1
41,covalent,SING,O18,H40,,,,,33305,bmse010437,1
42,covalent,SING,O19,H41,,,,,33305,bmse010437,1
43,covalent,SING,O20,H42,,,,,33305,bmse010437,1
1,covalent,SING,C1,C11,,,,,33325,bmse010438,1
2,covalent,SING,C2,O23,,,,,33325,bmse010438,1
3,covalent,SING,C3,O24,,,,,33325,bmse010438,1
4,covalent,SING,C4,O25,,,,,33325,bmse010438,1
5,covalent,DOUB,C5,C6,,,,,33325,bmse010438,1
6,covalent,SING,C5,C12,,,,,33325,bmse010438,1
7,covalent,SING,C6,C13,,,,,33325,bmse010438,1
8,covalent,DOUB,C7,C11,,,,,33325,bmse010438,1
9,covalent,SING,C7,C15,,,,,33325,bmse010438,1
10,covalent,SING,C8,C11,,,,,33325,bmse010438,1
11,covalent,DOUB,C8,C16,,,,,33325,bmse010438,1
12,covalent,DOUB,C9,C12,,,,,33325,bmse010438,1
13,covalent,SING,C9,C14,,,,,33325,bmse010438,1
14,covalent,SING,C10,C17,,,,,33325,bmse010438,1
15,covalent,SING,C10,O20,,,,,33325,bmse010438,1
16,covalent,SING,C12,C18,,,,,33325,bmse010438,1
17,covalent,DOUB,C13,C14,,,,,33325,bmse010438,1
18,covalent,SING,C13,O21,,,,,33325,bmse010438,1
19,covalent,SING,C14,O23,,,,,33325,bmse010438,1
20,covalent,DOUB,C15,C19,,,,,33325,bmse010438,1
21,covalent,SING,C15,O24,,,,,33325,bmse010438,1
22,covalent,SING,C16,C19,,,,,33325,bmse010438,1
23,covalent,SING,C16,O25,,,,,33325,bmse010438,1
24,covalent,SING,C17,C18,,,,,33325,bmse010438,1
25,covalent,SING,C17,O26,,,,,33325,bmse010438,1
26,covalent,SING,C18,O22,,,,,33325,bmse010438,1
27,covalent,SING,C19,O26,,,,,33325,bmse010438,1
28,covalent,SING,C1,H27,,,,,33325,bmse010438,1
29,covalent,SING,C1,H28,,,,,33325,bmse010438,1
30,covalent,SING,C1,H29,,,,,33325,bmse010438,1
31,covalent,SING,C2,H30,,,,,33325,bmse010438,1
32,covalent,SING,C2,H31,,,,,33325,bmse010438,1
33,covalent,SING,C2,H32,,,,,33325,bmse010438,1
34,covalent,SING,C3,H33,,,,,33325,bmse010438,1
35,covalent,SING,C3,H34,,,,,33325,bmse010438,1
36,covalent,SING,C3,H35,,,,,33325,bmse010438,1
37,covalent,SING,C4,H36,,,,,33325,bmse010438,1
38,covalent,SING,C4,H37,,,,,33325,bmse010438,1
39,covalent,SING,C4,H38,,,,,33325,bmse010438,1
40,covalent,SING,C5,H39,,,,,33325,bmse010438,1
41,covalent,SING,C6,H40,,,,,33325,bmse010438,1
42,covalent,SING,C7,H41,,,,,33325,bmse010438,1
43,covalent,SING,C8,H42,,,,,33325,bmse010438,1
44,covalent,SING,C9,H43,,,,,33325,bmse010438,1
45,covalent,SING,C10,H44,,,,,33325,bmse010438,1
46,covalent,SING,C10,H45,,,,,33325,bmse010438,1
47,covalent,SING,C17,H46,,,,,33325,bmse010438,1
48,covalent,SING,C18,H47,,,,,33325,bmse010438,1
49,covalent,SING,O20,H48,,,,,33325,bmse010438,1
50,covalent,SING,O21,H49,,,,,33325,bmse010438,1
51,covalent,SING,O22,H50,,,,,33325,bmse010438,1
1,covalent,SING,C1,C11,,,,,33345,bmse010439,1
2,covalent,SING,C2,O24,,,,,33345,bmse010439,1
3,covalent,SING,C3,O25,,,,,33345,bmse010439,1
4,covalent,SING,C4,O26,,,,,33345,bmse010439,1
5,covalent,SING,C5,O27,,,,,33345,bmse010439,1
6,covalent,DOUB,C6,C11,,,,,33345,bmse010439,1
7,covalent,SING,C6,C15,,,,,33345,bmse010439,1
8,covalent,SING,C7,C11,,,,,33345,bmse010439,1
9,covalent,DOUB,C7,C16,,,,,33345,bmse010439,1
10,covalent,DOUB,C8,C12,,,,,33345,bmse010439,1
11,covalent,SING,C8,C13,,,,,33345,bmse010439,1
12,covalent,SING,C9,C12,,,,,33345,bmse010439,1
13,covalent,DOUB,C9,C14,,,,,33345,bmse010439,1
14,covalent,SING,C10,C17,,,,,33345,bmse010439,1
15,covalent,SING,C10,O21,,,,,33345,bmse010439,1
16,covalent,SING,C12,C18,,,,,33345,bmse010439,1
17,covalent,DOUB,C13,C19,,,,,33345,bmse010439,1
18,covalent,SING,C13,O24,,,,,33345,bmse010439,1
19,covalent,SING,C14,C19,,,,,33345,bmse010439,1
20,covalent,SING,C14,O25,,,,,33345,bmse010439,1
21,covalent,DOUB,C15,C20,,,,,33345,bmse010439,1
22,covalent,SING,C15,O26,,,,,33345,bmse010439,1
23,covalent,SING,C16,C20,,,,,33345,bmse010439,1
24,covalent,SING,C16,O27,,,,,33345,bmse010439,1
25,covalent,SING,C17,C18,,,,,33345,bmse010439,1
26,covalent,SING,C17,O28,,,,,33345,bmse010439,1
27,covalent,SING,C18,O22,,,,,33345,bmse010439,1
28,covalent,SING,C19,O23,,,,,33345,bmse010439,1
29,covalent,SING,C20,O28,,,,,33345,bmse010439,1
30,covalent,SING,C1,H30,,,,,33345,bmse010439,1
31,covalent,SING,C1,H29,,,,,33345,bmse010439,1
32,covalent,SING,C1,H31,,,,,33345,bmse010439,1
33,covalent,SING,C2,H32,,,,,33345,bmse010439,1
34,covalent,SING,C2,H34,,,,,33345,bmse010439,1
35,covalent,SING,C2,H33,,,,,33345,bmse010439,1
36,covalent,SING,C3,H35,,,,,33345,bmse010439,1
37,covalent,SING,C3,H36,,,,,33345,bmse010439,1
38,covalent,SING,C3,H37,,,,,33345,bmse010439,1
39,covalent,SING,C4,H38,,,,,33345,bmse010439,1
40,covalent,SING,C4,H40,,,,,33345,bmse010439,1
41,covalent,SING,C4,H39,,,,,33345,bmse010439,1
42,covalent,SING,C5,H42,,,,,33345,bmse010439,1
43,covalent,SING,C5,H41,,,,,33345,bmse010439,1
44,covalent,SING,C5,H43,,,,,33345,bmse010439,1
45,covalent,SING,C6,H44,,,,,33345,bmse010439,1
46,covalent,SING,C7,H45,,,,,33345,bmse010439,1
47,covalent,SING,C8,H46,,,,,33345,bmse010439,1
48,covalent,SING,C9,H47,,,,,33345,bmse010439,1
49,covalent,SING,C10,H48,,,,,33345,bmse010439,1
50,covalent,SING,C10,H49,,,,,33345,bmse010439,1
51,covalent,SING,C17,H50,,,,,33345,bmse010439,1
52,covalent,SING,C18,H51,,,,,33345,bmse010439,1
53,covalent,SING,O21,H52,,,,,33345,bmse010439,1
54,covalent,SING,O22,H53,,,,,33345,bmse010439,1
55,covalent,SING,O23,H54,,,,,33345,bmse010439,1
1,covalent,SING,C1,C11,,,,,33365,bmse010440,1
2,covalent,SING,C2,O21,,,,,33365,bmse010440,1
3,covalent,SING,C3,C6,,,,,33365,bmse010440,1
4,covalent,DOUB,C3,C11,,,,,33365,bmse010440,1
5,covalent,DOUB,C4,C7,,,,,33365,bmse010440,1
6,covalent,SING,C4,C11,,,,,33365,bmse010440,1
7,covalent,DOUB,C5,C8,,,,,33365,bmse010440,1
8,covalent,SING,C5,C12,,,,,33365,bmse010440,1
9,covalent,DOUB,C6,C13,,,,,33365,bmse010440,1
10,covalent,SING,C7,C13,,,,,33365,bmse010440,1
11,covalent,SING,C8,C14,,,,,33365,bmse010440,1
12,covalent,DOUB,C9,C12,,,,,33365,bmse010440,1
13,covalent,SING,C9,C15,,,,,33365,bmse010440,1
14,covalent,SING,C10,C16,,,,,33365,bmse010440,1
15,covalent,SING,C10,O18,,,,,33365,bmse010440,1
16,covalent,SING,C12,C17,,,,,33365,bmse010440,1
17,covalent,SING,C13,O22,,,,,33365,bmse010440,1
18,covalent,DOUB,C14,C15,,,,,33365,bmse010440,1
19,covalent,SING,C14,O19,,,,,33365,bmse010440,1
20,covalent,SING,C15,O21,,,,,33365,bmse010440,1
21,covalent,SING,C16,C17,,,,,33365,bmse010440,1
22,covalent,SING,C16,O22,,,,,33365,bmse010440,1
23,covalent,SING,C17,O20,,,,,33365,bmse010440,1
24,covalent,SING,C1,H24,,,,,33365,bmse010440,1
25,covalent,SING,C1,H25,,,,,33365,bmse010440,1
26,covalent,SING,C1,H23,,,,,33365,bmse010440,1
27,covalent,SING,C2,H26,,,,,33365,bmse010440,1
28,covalent,SING,C2,H27,,,,,33365,bmse010440,1
29,covalent,SING,C2,H28,,,,,33365,bmse010440,1
30,covalent,SING,C3,H29,,,,,33365,bmse010440,1
31,covalent,SING,C4,H30,,,,,33365,bmse010440,1
32,covalent,SING,C5,H31,,,,,33365,bmse010440,1
33,covalent,SING,C6,H32,,,,,33365,bmse010440,1
34,covalent,SING,C7,H33,,,,,33365,bmse010440,1
35,covalent,SING,C8,H34,,,,,33365,bmse010440,1
36,covalent,SING,C9,H35,,,,,33365,bmse010440,1
37,covalent,SING,C10,H36,,,,,33365,bmse010440,1
38,covalent,SING,C10,H37,,,,,33365,bmse010440,1
39,covalent,SING,C16,H38,,,,,33365,bmse010440,1
40,covalent,SING,C17,H39,,,,,33365,bmse010440,1
41,covalent,SING,O18,H40,,,,,33365,bmse010440,1
42,covalent,SING,O19,H41,,,,,33365,bmse010440,1
43,covalent,SING,O20,H42,,,,,33365,bmse010440,1
1,covalent,SING,C1,C11,,,,,33385,bmse010441,1
2,covalent,SING,C2,O22,,,,,33385,bmse010441,1
3,covalent,SING,C3,O23,,,,,33385,bmse010441,1
4,covalent,DOUB,C4,C7,,,,,33385,bmse010441,1
5,covalent,SING,C4,C11,,,,,33385,bmse010441,1
6,covalent,DOUB,C5,C6,,,,,33385,bmse010441,1
7,covalent,SING,C5,C12,,,,,33385,bmse010441,1
8,covalent,SING,C6,C13,,,,,33385,bmse010441,1
9,covalent,SING,C7,C14,,,,,33385,bmse010441,1
10,covalent,DOUB,C8,C11,,,,,33385,bmse010441,1
11,covalent,SING,C8,C16,,,,,33385,bmse010441,1
12,covalent,DOUB,C9,C12,,,,,33385,bmse010441,1
13,covalent,SING,C9,C15,,,,,33385,bmse010441,1
14,covalent,SING,C10,C17,,,,,33385,bmse010441,1
15,covalent,SING,C10,O19,,,,,33385,bmse010441,1
16,covalent,SING,C12,C18,,,,,33385,bmse010441,1
17,covalent,DOUB,C13,C15,,,,,33385,bmse010441,1
18,covalent,SING,C13,O20,,,,,33385,bmse010441,1
19,covalent,DOUB,C14,C16,,,,,33385,bmse010441,1
20,covalent,SING,C14,O24,,,,,33385,bmse010441,1
21,covalent,SING,C15,O22,,,,,33385,bmse010441,1
22,covalent,SING,C16,O23,,,,,33385,bmse010441,1
23,covalent,SING,C17,C18,,,,,33385,bmse010441,1
24,covalent,SING,C17,O24,,,,,33385,bmse010441,1
25,covalent,SING,C18,O21,,,,,33385,bmse010441,1
26,covalent,SING,C1,H26,,,,,33385,bmse010441,1
27,covalent,SING,C1,H25,,,,,33385,bmse010441,1
28,covalent,SING,C1,H27,,,,,33385,bmse010441,1
29,covalent,SING,C2,H28,,,,,33385,bmse010441,1
30,covalent,SING,C2,H29,,,,,33385,bmse010441,1
31,covalent,SING,C2,H30,,,,,33385,bmse010441,1
32,covalent,SING,C3,H32,,,,,33385,bmse010441,1
33,covalent,SING,C3,H31,,,,,33385,bmse010441,1
34,covalent,SING,C3,H33,,,,,33385,bmse010441,1
35,covalent,SING,C4,H34,,,,,33385,bmse010441,1
36,covalent,SING,C5,H35,,,,,33385,bmse010441,1
37,covalent,SING,C6,H36,,,,,33385,bmse010441,1
38,covalent,SING,C7,H37,,,,,33385,bmse010441,1
39,covalent,SING,C8,H38,,,,,33385,bmse010441,1
40,covalent,SING,C9,H39,,,,,33385,bmse010441,1
41,covalent,SING,C10,H40,,,,,33385,bmse010441,1
42,covalent,SING,C10,H41,,,,,33385,bmse010441,1
43,covalent,SING,C17,H42,,,,,33385,bmse010441,1
44,covalent,SING,C18,H43,,,,,33385,bmse010441,1
45,covalent,SING,O19,H44,,,,,33385,bmse010441,1
46,covalent,SING,O20,H45,,,,,33385,bmse010441,1
47,covalent,SING,O21,H46,,,,,33385,bmse010441,1
1,covalent,SING,C1,C11,,,,,33405,bmse010442,1
2,covalent,SING,C2,O22,,,,,33405,bmse010442,1
3,covalent,SING,C3,O23,,,,,33405,bmse010442,1
4,covalent,SING,C4,C6,,,,,33405,bmse010442,1
5,covalent,DOUB,C4,C12,,,,,33405,bmse010442,1
6,covalent,DOUB,C5,C7,,,,,33405,bmse010442,1
7,covalent,SING,C5,C12,,,,,33405,bmse010442,1
8,covalent,DOUB,C6,C13,,,,,33405,bmse010442,1
9,covalent,SING,C7,C13,,,,,33405,bmse010442,1
10,covalent,DOUB,C8,C11,,,,,33405,bmse010442,1
11,covalent,SING,C8,C14,,,,,33405,bmse010442,1
12,covalent,SING,C9,C11,,,,,33405,bmse010442,1
13,covalent,DOUB,C9,C15,,,,,33405,bmse010442,1
14,covalent,SING,C10,C16,,,,,33405,bmse010442,1
15,covalent,SING,C10,O19,,,,,33405,bmse010442,1
16,covalent,SING,C12,C17,,,,,33405,bmse010442,1
17,covalent,SING,C13,O20,,,,,33405,bmse010442,1
18,covalent,DOUB,C14,C18,,,,,33405,bmse010442,1
19,covalent,SING,C14,O22,,,,,33405,bmse010442,1
20,covalent,SING,C15,C18,,,,,33405,bmse010442,1
21,covalent,SING,C15,O23,,,,,33405,bmse010442,1
22,covalent,SING,C16,C17,,,,,33405,bmse010442,1
23,covalent,SING,C16,O24,,,,,33405,bmse010442,1
24,covalent,SING,C17,O21,,,,,33405,bmse010442,1
25,covalent,SING,C18,O24,,,,,33405,bmse010442,1
26,covalent,SING,C1,H27,,,,,33405,bmse010442,1
27,covalent,SING,C1,H26,,,,,33405,bmse010442,1
28,covalent,SING,C1,H25,,,,,33405,bmse010442,1
29,covalent,SING,C2,H28,,,,,33405,bmse010442,1
30,covalent,SING,C2,H29,,,,,33405,bmse010442,1
31,covalent,SING,C2,H30,,,,,33405,bmse010442,1
32,covalent,SING,C3,H33,,,,,33405,bmse010442,1
33,covalent,SING,C3,H31,,,,,33405,bmse010442,1
34,covalent,SING,C3,H32,,,,,33405,bmse010442,1
35,covalent,SING,C4,H34,,,,,33405,bmse010442,1
36,covalent,SING,C5,H35,,,,,33405,bmse010442,1
37,covalent,SING,C6,H36,,,,,33405,bmse010442,1
38,covalent,SING,C7,H37,,,,,33405,bmse010442,1
39,covalent,SING,C8,H38,,,,,33405,bmse010442,1
40,covalent,SING,C9,H39,,,,,33405,bmse010442,1
41,covalent,SING,C10,H40,,,,,33405,bmse010442,1
42,covalent,SING,C10,H41,,,,,33405,bmse010442,1
43,covalent,SING,C16,H42,,,,,33405,bmse010442,1
44,covalent,SING,C17,H43,,,,,33405,bmse010442,1
45,covalent,SING,O19,H44,,,,,33405,bmse010442,1
46,covalent,SING,O20,H45,,,,,33405,bmse010442,1
47,covalent,SING,O21,H46,,,,,33405,bmse010442,1
1,covalent,SING,C1,O19,,,,,33425,bmse010443,1
2,covalent,DOUB,C2,C3,,,,,33425,bmse010443,1
3,covalent,SING,C2,C4,,,,,33425,bmse010443,1
4,covalent,SING,C3,C6,,,,,33425,bmse010443,1
5,covalent,DOUB,C4,C7,,,,,33425,bmse010443,1
6,covalent,DOUB,C5,C8,,,,,33425,bmse010443,1
7,covalent,SING,C5,C11,,,,,33425,bmse010443,1
8,covalent,DOUB,C6,C15,,,,,33425,bmse010443,1
9,covalent,SING,C7,C15,,,,,33425,bmse010443,1
10,covalent,SING,C8,C14,,,,,33425,bmse010443,1
11,covalent,DOUB,C9,C10,,,,,33425,bmse010443,1
12,covalent,SING,C9,C14,,,,,33425,bmse010443,1
13,covalent,SING,C10,C16,,,,,33425,bmse010443,1
14,covalent,SING,C11,O18,,,,,33425,bmse010443,1
15,covalent,DOUB,C12,C14,,,,,33425,bmse010443,1
16,covalent,SING,C12,C17,,,,,33425,bmse010443,1
17,covalent,SING,C13,C15,,,,,33425,bmse010443,1
18,covalent,SING,C13,O20,,,,,33425,bmse010443,1
19,covalent,DOUB,C16,C17,,,,,33425,bmse010443,1
20,covalent,SING,C16,O20,,,,,33425,bmse010443,1
21,covalent,SING,C17,O19,,,,,33425,bmse010443,1
22,covalent,SING,C1,H23,,,,,33425,bmse010443,1
23,covalent,SING,C1,H22,,,,,33425,bmse010443,1
24,covalent,SING,C1,H21,,,,,33425,bmse010443,1
25,covalent,SING,C2,H24,,,,,33425,bmse010443,1
26,covalent,SING,C3,H25,,,,,33425,bmse010443,1
27,covalent,SING,C4,H26,,,,,33425,bmse010443,1
28,covalent,SING,C5,H27,,,,,33425,bmse010443,1
29,covalent,SING,C6,H28,,,,,33425,bmse010443,1
30,covalent,SING,C7,H29,,,,,33425,bmse010443,1
31,covalent,SING,C8,H30,,,,,33425,bmse010443,1
32,covalent,SING,C9,H31,,,,,33425,bmse010443,1
33,covalent,SING,C10,H32,,,,,33425,bmse010443,1
34,covalent,SING,C11,H33,,,,,33425,bmse010443,1
35,covalent,SING,C11,H34,,,,,33425,bmse010443,1
36,covalent,SING,C12,H35,,,,,33425,bmse010443,1
37,covalent,SING,C13,H36,,,,,33425,bmse010443,1
38,covalent,SING,C13,H37,,,,,33425,bmse010443,1
39,covalent,SING,O18,H38,,,,,33425,bmse010443,1
1,covalent,SING,C1,C19,,,,,33439,bmse010444,1
2,covalent,SING,C2,O29,,,,,33439,bmse010444,1
3,covalent,DOUB,C3,C4,,,,,33439,bmse010444,1
4,covalent,SING,C3,C5,,,,,33439,bmse010444,1
5,covalent,SING,C4,C7,,,,,33439,bmse010444,1
6,covalent,DOUB,C5,C8,,,,,33439,bmse010444,1
7,covalent,DOUB,C6,C9,,,,,33439,bmse010444,1
8,covalent,SING,C6,C16,,,,,33439,bmse010444,1
9,covalent,DOUB,C7,C21,,,,,33439,bmse010444,1
10,covalent,SING,C8,C21,,,,,33439,bmse010444,1
11,covalent,SING,C9,C20,,,,,33439,bmse010444,1
12,covalent,DOUB,C10,C15,,,,,33439,bmse010444,1
13,covalent,SING,C10,C20,,,,,33439,bmse010444,1
14,covalent,SING,C11,C13,,,,,33439,bmse010444,1
15,covalent,DOUB,C11,C22,,,,,33439,bmse010444,1
16,covalent,DOUB,C12,C14,,,,,33439,bmse010444,1
17,covalent,SING,C12,C22,,,,,33439,bmse010444,1
18,covalent,DOUB,C13,C23,,,,,33439,bmse010444,1
19,covalent,SING,C14,C23,,,,,33439,bmse010444,1
20,covalent,SING,C15,C24,,,,,33439,bmse010444,1
21,covalent,SING,C16,O30,,,,,33439,bmse010444,1
22,covalent,DOUB,C17,C20,,,,,33439,bmse010444,1
23,covalent,SING,C17,C25,,,,,33439,bmse010444,1
24,covalent,SING,C18,C21,,,,,33439,bmse010444,1
25,covalent,SING,C18,O31,,,,,33439,bmse010444,1
26,covalent,DOUB,C19,O27,,,,,33439,bmse010444,1
27,covalent,SING,C19,O32,,,,,33439,bmse010444,1
28,covalent,SING,C22,C26,,,,,33439,bmse010444,1
29,covalent,SING,C23,O32,,,,,33439,bmse010444,1
30,covalent,DOUB,C24,C25,,,,,33439,bmse010444,1
31,covalent,SING,C24,O31,,,,,33439,bmse010444,1
32,covalent,SING,C25,O29,,,,,33439,bmse010444,1
33,covalent,DOUB,C26,O28,,,,,33439,bmse010444,1
34,covalent,SING,C26,O30,,,,,33439,bmse010444,1
35,covalent,SING,C1,H34,,,,,33439,bmse010444,1
36,covalent,SING,C1,H33,,,,,33439,bmse010444,1
37,covalent,SING,C1,H35,,,,,33439,bmse010444,1
38,covalent,SING,C2,H36,,,,,33439,bmse010444,1
39,covalent,SING,C2,H37,,,,,33439,bmse010444,1
40,covalent,SING,C2,H38,,,,,33439,bmse010444,1
41,covalent,SING,C3,H39,,,,,33439,bmse010444,1
42,covalent,SING,C4,H40,,,,,33439,bmse010444,1
43,covalent,SING,C5,H41,,,,,33439,bmse010444,1
44,covalent,SING,C6,H42,,,,,33439,bmse010444,1
45,covalent,SING,C7,H43,,,,,33439,bmse010444,1
46,covalent,SING,C8,H44,,,,,33439,bmse010444,1
47,covalent,SING,C9,H45,,,,,33439,bmse010444,1
48,covalent,SING,C10,H46,,,,,33439,bmse010444,1
49,covalent,SING,C11,H47,,,,,33439,bmse010444,1
50,covalent,SING,C12,H48,,,,,33439,bmse010444,1
51,covalent,SING,C13,H49,,,,,33439,bmse010444,1
52,covalent,SING,C14,H50,,,,,33439,bmse010444,1
53,covalent,SING,C15,H51,,,,,33439,bmse010444,1
54,covalent,SING,C16,H52,,,,,33439,bmse010444,1
55,covalent,SING,C16,H53,,,,,33439,bmse010444,1
56,covalent,SING,C17,H54,,,,,33439,bmse010444,1
57,covalent,SING,C18,H55,,,,,33439,bmse010444,1
58,covalent,SING,C18,H56,,,,,33439,bmse010444,1
1,covalent,SING,C1,O25,,,,,33453,bmse010445,1
2,covalent,SING,C2,O26,,,,,33453,bmse010445,1
3,covalent,SING,C3,C5,,,,,33453,bmse010445,1
4,covalent,SING,C3,C7,,,,,33453,bmse010445,1
5,covalent,SING,C4,C6,,,,,33453,bmse010445,1
6,covalent,SING,C4,C8,,,,,33453,bmse010445,1
7,covalent,SING,C5,C13,,,,,33453,bmse010445,1
8,covalent,SING,C6,C14,,,,,33453,bmse010445,1
9,covalent,SING,C7,O21,,,,,33453,bmse010445,1
10,covalent,SING,C8,O22,,,,,33453,bmse010445,1
11,covalent,DOUB,C9,C13,,,,,33453,bmse010445,1
12,covalent,SING,C9,C15,,,,,33453,bmse010445,1
13,covalent,DOUB,C10,C14,,,,,33453,bmse010445,1
14,covalent,SING,C10,C16,,,,,33453,bmse010445,1
15,covalent,SING,C11,C13,,,,,33453,bmse010445,1
16,covalent,DOUB,C11,C17,,,,,33453,bmse010445,1
17,covalent,SING,C12,C14,,,,,33453,bmse010445,1
18,covalent,DOUB,C12,C18,,,,,33453,bmse010445,1
19,covalent,SING,C15,C16,,,,,33453,bmse010445,1
20,covalent,DOUB,C15,C19,,,,,33453,bmse010445,1
21,covalent,DOUB,C16,C20,,,,,33453,bmse010445,1
22,covalent,SING,C17,C19,,,,,33453,bmse010445,1
23,covalent,SING,C17,O25,,,,,33453,bmse010445,1
24,covalent,SING,C18,C20,,,,,33453,bmse010445,1
25,covalent,SING,C18,O26,,,,,33453,bmse010445,1
26,covalent,SING,C19,O23,,,,,33453,bmse010445,1
27,covalent,SING,C20,O24,,,,,33453,bmse010445,1
28,covalent,SING,C1,H27,,,,,33453,bmse010445,1
29,covalent,SING,C1,H28,,,,,33453,bmse010445,1
30,covalent,SING,C1,H29,,,,,33453,bmse010445,1
31,covalent,SING,C2,H32,,,,,33453,bmse010445,1
32,covalent,SING,C2,H31,,,,,33453,bmse010445,1
33,covalent,SING,C2,H30,,,,,33453,bmse010445,1
34,covalent,SING,C3,H33,,,,,33453,bmse010445,1
35,covalent,SING,C3,H34,,,,,33453,bmse010445,1
36,covalent,SING,C4,H35,,,,,33453,bmse010445,1
37,covalent,SING,C4,H36,,,,,33453,bmse010445,1
38,covalent,SING,C5,H37,,,,,33453,bmse010445,1
39,covalent,SING,C5,H38,,,,,33453,bmse010445,1
40,covalent,SING,C6,H39,,,,,33453,bmse010445,1
41,covalent,SING,C6,H40,,,,,33453,bmse010445,1
42,covalent,SING,C7,H41,,,,,33453,bmse010445,1
43,covalent,SING,C7,H42,,,,,33453,bmse010445,1
44,covalent,SING,C8,H43,,,,,33453,bmse010445,1
45,covalent,SING,C8,H44,,,,,33453,bmse010445,1
46,covalent,SING,C9,H45,,,,,33453,bmse010445,1
47,covalent,SING,C10,H46,,,,,33453,bmse010445,1
48,covalent,SING,C11,H47,,,,,33453,bmse010445,1
49,covalent,SING,C12,H48,,,,,33453,bmse010445,1
50,covalent,SING,O21,H49,,,,,33453,bmse010445,1
51,covalent,SING,O22,H50,,,,,33453,bmse010445,1
52,covalent,SING,O23,H51,,,,,33453,bmse010445,1
53,covalent,SING,O24,H52,,,,,33453,bmse010445,1
1,covalent,SING,C1,C16,,,,,33473,bmse010446,1
2,covalent,SING,C2,C17,,,,,33473,bmse010446,1
3,covalent,SING,C3,C18,,,,,33473,bmse010446,1
4,covalent,SING,C4,C19,,,,,33473,bmse010446,1
5,covalent,SING,C5,C20,,,,,33473,bmse010446,1
6,covalent,SING,C6,O37,,,,,33473,bmse010446,1
7,covalent,SING,C7,O38,,,,,33473,bmse010446,1
8,covalent,DOUB,C8,C9,,,,,33473,bmse010446,1
9,covalent,SING,C8,C22,,,,,33473,bmse010446,1
10,covalent,SING,C9,C25,,,,,33473,bmse010446,1
11,covalent,DOUB,C10,C21,,,,,33473,bmse010446,1
12,covalent,SING,C10,C23,,,,,33473,bmse010446,1
13,covalent,SING,C11,C21,,,,,33473,bmse010446,1
14,covalent,SING,C11,C27,,,,,33473,bmse010446,1
15,covalent,SING,C12,C21,,,,,33473,bmse010446,1
16,covalent,DOUB,C12,C28,,,,,33473,bmse010446,1
17,covalent,DOUB,C13,C22,,,,,33473,bmse010446,1
18,covalent,SING,C13,C26,,,,,33473,bmse010446,1
19,covalent,SING,C14,C24,,,,,33473,bmse010446,1
20,covalent,SING,C14,O39,,,,,33473,bmse010446,1
21,covalent,SING,C15,C29,,,,,33473,bmse010446,1
22,covalent,SING,C15,O40,,,,,33473,bmse010446,1
23,covalent,DOUB,C16,O32,,,,,33473,bmse010446,1
24,covalent,SING,C16,O39,,,,,33473,bmse010446,1
25,covalent,DOUB,C17,O33,,,,,33473,bmse010446,1
26,covalent,SING,C17,O40,,,,,33473,bmse010446,1
27,covalent,DOUB,C18,O34,,,,,33473,bmse010446,1
28,covalent,SING,C18,O41,,,,,33473,bmse010446,1
29,covalent,DOUB,C19,O35,,,,,33473,bmse010446,1
30,covalent,SING,C19,O42,,,,,33473,bmse010446,1
31,covalent,DOUB,C20,O36,,,,,33473,bmse010446,1
32,covalent,SING,C20,O43,,,,,33473,bmse010446,1
33,covalent,SING,C22,C30,,,,,33473,bmse010446,1
34,covalent,SING,C23,C24,,,,,33473,bmse010446,1
35,covalent,DOUB,C23,C31,,,,,33473,bmse010446,1
36,covalent,SING,C24,C30,,,,,33473,bmse010446,1
37,covalent,DOUB,C25,C26,,,,,33473,bmse010446,1
38,covalent,SING,C25,O41,,,,,33473,bmse010446,1
39,covalent,SING,C26,O37,,,,,33473,bmse010446,1
40,covalent,SING,C27,C29,,,,,33473,bmse010446,1
41,covalent,SING,C27,O42,,,,,33473,bmse010446,1
42,covalent,SING,C28,C31,,,,,33473,bmse010446,1
43,covalent,SING,C28,O38,,,,,33473,bmse010446,1
44,covalent,SING,C29,O43,,,,,33473,bmse010446,1
45,covalent,SING,C30,O44,,,,,33473,bmse010446,1
46,covalent,SING,C31,O44,,,,,33473,bmse010446,1
47,covalent,SING,C1,H45,,,,,33473,bmse010446,1
48,covalent,SING,C1,H46,,,,,33473,bmse010446,1
49,covalent,SING,C1,H47,,,,,33473,bmse010446,1
50,covalent,SING,C2,H48,,,,,33473,bmse010446,1
51,covalent,SING,C2,H49,,,,,33473,bmse010446,1
52,covalent,SING,C2,H50,,,,,33473,bmse010446,1
53,covalent,SING,C3,H51,,,,,33473,bmse010446,1
54,covalent,SING,C3,H52,,,,,33473,bmse010446,1
55,covalent,SING,C3,H53,,,,,33473,bmse010446,1
56,covalent,SING,C4,H54,,,,,33473,bmse010446,1
57,covalent,SING,C4,H55,,,,,33473,bmse010446,1
58,covalent,SING,C4,H56,,,,,33473,bmse010446,1
59,covalent,SING,C5,H57,,,,,33473,bmse010446,1
60,covalent,SING,C5,H58,,,,,33473,bmse010446,1
61,covalent,SING,C5,H59,,,,,33473,bmse010446,1
62,covalent,SING,C6,H60,,,,,33473,bmse010446,1
63,covalent,SING,C6,H61,,,,,33473,bmse010446,1
64,covalent,SING,C6,H62,,,,,33473,bmse010446,1
65,covalent,SING,C7,H63,,,,,33473,bmse010446,1
66,covalent,SING,C7,H64,,,,,33473,bmse010446,1
67,covalent,SING,C7,H65,,,,,33473,bmse010446,1
68,covalent,SING,C8,H66,,,,,33473,bmse010446,1
69,covalent,SING,C9,H67,,,,,33473,bmse010446,1
70,covalent,SING,C10,H68,,,,,33473,bmse010446,1
71,covalent,SING,C11,H69,,,,,33473,bmse010446,1
72,covalent,SING,C11,H70,,,,,33473,bmse010446,1
73,covalent,SING,C12,H71,,,,,33473,bmse010446,1
74,covalent,SING,C13,H72,,,,,33473,bmse010446,1
75,covalent,SING,C14,H73,,,,,33473,bmse010446,1
76,covalent,SING,C14,H74,,,,,33473,bmse010446,1
77,covalent,SING,C15,H75,,,,,33473,bmse010446,1
78,covalent,SING,C15,H76,,,,,33473,bmse010446,1
79,covalent,SING,C24,H77,,,,,33473,bmse010446,1
80,covalent,SING,C27,H78,,,,,33473,bmse010446,1
81,covalent,SING,C29,H79,,,,,33473,bmse010446,1
82,covalent,SING,C30,H80,,,,,33473,bmse010446,1
1,covalent,SING,C1,C20,,,,,33490,bmse010447,1
2,covalent,SING,C2,C21,,,,,33490,bmse010447,1
3,covalent,SING,C3,C22,,,,,33490,bmse010447,1
4,covalent,SING,C4,C23,,,,,33490,bmse010447,1
5,covalent,SING,C5,O43,,,,,33490,bmse010447,1
6,covalent,SING,C6,O44,,,,,33490,bmse010447,1
7,covalent,SING,C7,O45,,,,,33490,bmse010447,1
8,covalent,DOUB,C8,C11,,,,,33490,bmse010447,1
9,covalent,SING,C8,C24,,,,,33490,bmse010447,1
10,covalent,DOUB,C9,C13,,,,,33490,bmse010447,1
11,covalent,SING,C9,C25,,,,,33490,bmse010447,1
12,covalent,DOUB,C10,C12,,,,,33490,bmse010447,1
13,covalent,SING,C10,C26,,,,,33490,bmse010447,1
14,covalent,SING,C11,C29,,,,,33490,bmse010447,1
15,covalent,SING,C12,C30,,,,,33490,bmse010447,1
16,covalent,SING,C13,C31,,,,,33490,bmse010447,1
17,covalent,DOUB,C14,C24,,,,,33490,bmse010447,1
18,covalent,SING,C14,C32,,,,,33490,bmse010447,1
19,covalent,DOUB,C15,C25,,,,,33490,bmse010447,1
20,covalent,SING,C15,C34,,,,,33490,bmse010447,1
21,covalent,DOUB,C16,C26,,,,,33490,bmse010447,1
22,covalent,SING,C16,C33,,,,,33490,bmse010447,1
23,covalent,SING,C17,C27,,,,,33490,bmse010447,1
24,covalent,SING,C17,O48,,,,,33490,bmse010447,1
25,covalent,SING,C18,C28,,,,,33490,bmse010447,1
26,covalent,SING,C18,O47,,,,,33490,bmse010447,1
27,covalent,SING,C19,C35,,,,,33490,bmse010447,1
28,covalent,SING,C19,O46,,,,,33490,bmse010447,1
29,covalent,DOUB,C20,O39,,,,,33490,bmse010447,1
30,covalent,SING,C20,O46,,,,,33490,bmse010447,1
31,covalent,DOUB,C21,O40,,,,,33490,bmse010447,1
32,covalent,SING,C21,O49,,,,,33490,bmse010447,1
33,covalent,DOUB,C22,O41,,,,,33490,bmse010447,1
34,covalent,SING,C22,O50,,,,,33490,bmse010447,1
35,covalent,DOUB,C23,O42,,,,,33490,bmse010447,1
36,covalent,SING,C23,O51,,,,,33490,bmse010447,1
37,covalent,SING,C24,C36,,,,,33490,bmse010447,1
38,covalent,SING,C25,C37,,,,,33490,bmse010447,1
39,covalent,SING,C26,C38,,,,,33490,bmse010447,1
40,covalent,SING,C27,C28,,,,,33490,bmse010447,1
41,covalent,SING,C27,C36,,,,,33490,bmse010447,1
42,covalent,SING,C28,C37,,,,,33490,bmse010447,1
43,covalent,DOUB,C29,C32,,,,,33490,bmse010447,1
44,covalent,SING,C29,O49,,,,,33490,bmse010447,1
45,covalent,DOUB,C30,C33,,,,,33490,bmse010447,1
46,covalent,SING,C30,O50,,,,,33490,bmse010447,1
47,covalent,DOUB,C31,C34,,,,,33490,bmse010447,1
48,covalent,SING,C31,O52,,,,,33490,bmse010447,1
49,covalent,SING,C32,O43,,,,,33490,bmse010447,1
50,covalent,SING,C33,O44,,,,,33490,bmse010447,1
51,covalent,SING,C34,O45,,,,,33490,bmse010447,1
52,covalent,SING,C35,C38,,,,,33490,bmse010447,1
53,covalent,SING,C35,O52,,,,,33490,bmse010447,1
54,covalent,SING,C36,O47,,,,,33490,bmse010447,1
55,covalent,SING,C37,O48,,,,,33490,bmse010447,1
56,covalent,SING,C38,O51,,,,,33490,bmse010447,1
57,covalent,SING,C1,H53,,,,,33490,bmse010447,1
58,covalent,SING,C1,H54,,,,,33490,bmse010447,1
59,covalent,SING,C1,H55,,,,,33490,bmse010447,1
60,covalent,SING,C2,H58,,,,,33490,bmse010447,1
61,covalent,SING,C2,H56,,,,,33490,bmse010447,1
62,covalent,SING,C2,H57,,,,,33490,bmse010447,1
63,covalent,SING,C3,H61,,,,,33490,bmse010447,1
64,covalent,SING,C3,H60,,,,,33490,bmse010447,1
65,covalent,SING,C3,H59,,,,,33490,bmse010447,1
66,covalent,SING,C4,H64,,,,,33490,bmse010447,1
67,covalent,SING,C4,H62,,,,,33490,bmse010447,1
68,covalent,SING,C4,H63,,,,,33490,bmse010447,1
69,covalent,SING,C5,H65,,,,,33490,bmse010447,1
70,covalent,SING,C5,H66,,,,,33490,bmse010447,1
71,covalent,SING,C5,H67,,,,,33490,bmse010447,1
72,covalent,SING,C6,H69,,,,,33490,bmse010447,1
73,covalent,SING,C6,H68,,,,,33490,bmse010447,1
74,covalent,SING,C6,H70,,,,,33490,bmse010447,1
75,covalent,SING,C7,H72,,,,,33490,bmse010447,1
76,covalent,SING,C7,H73,,,,,33490,bmse010447,1
77,covalent,SING,C7,H71,,,,,33490,bmse010447,1
78,covalent,SING,C8,H74,,,,,33490,bmse010447,1
79,covalent,SING,C9,H75,,,,,33490,bmse010447,1
80,covalent,SING,C10,H76,,,,,33490,bmse010447,1
81,covalent,SING,C11,H77,,,,,33490,bmse010447,1
82,covalent,SING,C12,H78,,,,,33490,bmse010447,1
83,covalent,SING,C13,H79,,,,,33490,bmse010447,1
84,covalent,SING,C14,H80,,,,,33490,bmse010447,1
85,covalent,SING,C15,H81,,,,,33490,bmse010447,1
86,covalent,SING,C16,H82,,,,,33490,bmse010447,1
87,covalent,SING,C17,H83,,,,,33490,bmse010447,1
88,covalent,SING,C17,H84,,,,,33490,bmse010447,1
89,covalent,SING,C18,H85,,,,,33490,bmse010447,1
90,covalent,SING,C18,H86,,,,,33490,bmse010447,1
91,covalent,SING,C19,H87,,,,,33490,bmse010447,1
92,covalent,SING,C19,H88,,,,,33490,bmse010447,1
93,covalent,SING,C27,H89,,,,,33490,bmse010447,1
94,covalent,SING,C28,H90,,,,,33490,bmse010447,1
95,covalent,SING,C35,H91,,,,,33490,bmse010447,1
96,covalent,SING,C36,H92,,,,,33490,bmse010447,1
97,covalent,SING,C37,H93,,,,,33490,bmse010447,1
98,covalent,SING,C38,H94,,,,,33490,bmse010447,1
1,covalent,SING,C1,C10,,,,,33504,bmse010448,1
2,covalent,SING,C2,C11,,,,,33504,bmse010448,1
3,covalent,SING,C3,C12,,,,,33504,bmse010448,1
4,covalent,SING,C4,C13,,,,,33504,bmse010448,1
5,covalent,SING,C5,O24,,,,,33504,bmse010448,1
6,covalent,SING,C6,O25,,,,,33504,bmse010448,1
7,covalent,DOUB,C7,C14,,,,,33504,bmse010448,1
8,covalent,SING,C7,C15,,,,,33504,bmse010448,1
9,covalent,SING,C8,C14,,,,,33504,bmse010448,1
10,covalent,DOUB,C8,C16,,,,,33504,bmse010448,1
11,covalent,SING,C9,C17,,,,,33504,bmse010448,1
12,covalent,SING,C9,O26,,,,,33504,bmse010448,1
13,covalent,DOUB,C10,O20,,,,,33504,bmse010448,1
14,covalent,SING,C10,O26,,,,,33504,bmse010448,1
15,covalent,DOUB,C11,O21,,,,,33504,bmse010448,1
16,covalent,SING,C11,O27,,,,,33504,bmse010448,1
17,covalent,DOUB,C12,O22,,,,,33504,bmse010448,1
18,covalent,SING,C12,O28,,,,,33504,bmse010448,1
19,covalent,DOUB,C13,O23,,,,,33504,bmse010448,1
20,covalent,SING,C13,O29,,,,,33504,bmse010448,1
21,covalent,SING,C14,C18,,,,,33504,bmse010448,1
22,covalent,DOUB,C15,C19,,,,,33504,bmse010448,1
23,covalent,SING,C15,O24,,,,,33504,bmse010448,1
24,covalent,SING,C16,C19,,,,,33504,bmse010448,1
25,covalent,SING,C16,O25,,,,,33504,bmse010448,1
26,covalent,SING,C17,C18,,,,,33504,bmse010448,1
27,covalent,SING,C17,O27,,,,,33504,bmse010448,1
28,covalent,SING,C18,O28,,,,,33504,bmse010448,1
29,covalent,SING,C19,O29,,,,,33504,bmse010448,1
30,covalent,SING,C1,H31,,,,,33504,bmse010448,1
31,covalent,SING,C1,H30,,,,,33504,bmse010448,1
32,covalent,SING,C1,H32,,,,,33504,bmse010448,1
33,covalent,SING,C2,H33,,,,,33504,bmse010448,1
34,covalent,SING,C2,H35,,,,,33504,bmse010448,1
35,covalent,SING,C2,H34,,,,,33504,bmse010448,1
36,covalent,SING,C3,H37,,,,,33504,bmse010448,1
37,covalent,SING,C3,H38,,,,,33504,bmse010448,1
38,covalent,SING,C3,H36,,,,,33504,bmse010448,1
39,covalent,SING,C4,H40,,,,,33504,bmse010448,1
40,covalent,SING,C4,H39,,,,,33504,bmse010448,1
41,covalent,SING,C4,H41,,,,,33504,bmse010448,1
42,covalent,SING,C5,H44,,,,,33504,bmse010448,1
43,covalent,SING,C5,H42,,,,,33504,bmse010448,1
44,covalent,SING,C5,H43,,,,,33504,bmse010448,1
45,covalent,SING,C6,H45,,,,,33504,bmse010448,1
46,covalent,SING,C6,H47,,,,,33504,bmse010448,1
47,covalent,SING,C6,H46,,,,,33504,bmse010448,1
48,covalent,SING,C7,H48,,,,,33504,bmse010448,1
49,covalent,SING,C8,H49,,,,,33504,bmse010448,1
50,covalent,SING,C9,H50,,,,,33504,bmse010448,1
51,covalent,SING,C9,H51,,,,,33504,bmse010448,1
52,covalent,SING,C17,H52,,,,,33504,bmse010448,1
53,covalent,SING,C18,H53,,,,,33504,bmse010448,1
1,covalent,SING,C1,C21,,,,,33524,bmse010449,1
2,covalent,SING,C2,C22,,,,,33524,bmse010449,1
3,covalent,SING,C3,C23,,,,,33524,bmse010449,1
4,covalent,SING,C4,C24,,,,,33524,bmse010449,1
5,covalent,SING,C5,C25,,,,,33524,bmse010449,1
6,covalent,SING,C6,C26,,,,,33524,bmse010449,1
7,covalent,SING,C7,O46,,,,,33524,bmse010449,1
8,covalent,SING,C8,O47,,,,,33524,bmse010449,1
9,covalent,SING,C9,O48,,,,,33524,bmse010449,1
10,covalent,DOUB,C10,C13,,,,,33524,bmse010449,1
11,covalent,SING,C10,C27,,,,,33524,bmse010449,1
12,covalent,DOUB,C11,C15,,,,,33524,bmse010449,1
13,covalent,SING,C11,C28,,,,,33524,bmse010449,1
14,covalent,DOUB,C12,C14,,,,,33524,bmse010449,1
15,covalent,SING,C12,C29,,,,,33524,bmse010449,1
16,covalent,SING,C13,C31,,,,,33524,bmse010449,1
17,covalent,SING,C14,C32,,,,,33524,bmse010449,1
18,covalent,SING,C15,C33,,,,,33524,bmse010449,1
19,covalent,DOUB,C16,C27,,,,,33524,bmse010449,1
20,covalent,SING,C16,C34,,,,,33524,bmse010449,1
21,covalent,DOUB,C17,C28,,,,,33524,bmse010449,1
22,covalent,SING,C17,C36,,,,,33524,bmse010449,1
23,covalent,DOUB,C18,C29,,,,,33524,bmse010449,1
24,covalent,SING,C18,C35,,,,,33524,bmse010449,1
25,covalent,SING,C19,C30,,,,,33524,bmse010449,1
26,covalent,SING,C19,O49,,,,,33524,bmse010449,1
27,covalent,SING,C20,C37,,,,,33524,bmse010449,1
28,covalent,SING,C20,O50,,,,,33524,bmse010449,1
29,covalent,DOUB,C21,O40,,,,,33524,bmse010449,1
30,covalent,SING,C21,O49,,,,,33524,bmse010449,1
31,covalent,DOUB,C22,O41,,,,,33524,bmse010449,1
32,covalent,SING,C22,O50,,,,,33524,bmse010449,1
33,covalent,DOUB,C23,O42,,,,,33524,bmse010449,1
34,covalent,SING,C23,O51,,,,,33524,bmse010449,1
35,covalent,DOUB,C24,O43,,,,,33524,bmse010449,1
36,covalent,SING,C24,O52,,,,,33524,bmse010449,1
37,covalent,DOUB,C25,O44,,,,,33524,bmse010449,1
38,covalent,SING,C25,O53,,,,,33524,bmse010449,1
39,covalent,DOUB,C26,O45,,,,,33524,bmse010449,1
40,covalent,SING,C26,O54,,,,,33524,bmse010449,1
41,covalent,SING,C27,C30,,,,,33524,bmse010449,1
42,covalent,SING,C28,C38,,,,,33524,bmse010449,1
43,covalent,SING,C29,C39,,,,,33524,bmse010449,1
44,covalent,SING,C30,C38,,,,,33524,bmse010449,1
45,covalent,DOUB,C31,C34,,,,,33524,bmse010449,1
46,covalent,SING,C31,O51,,,,,33524,bmse010449,1
47,covalent,DOUB,C32,C35,,,,,33524,bmse010449,1
48,covalent,SING,C32,O52,,,,,33524,bmse010449,1
49,covalent,DOUB,C33,C36,,,,,33524,bmse010449,1
50,covalent,SING,C33,O55,,,,,33524,bmse010449,1
51,covalent,SING,C34,O46,,,,,33524,bmse010449,1
52,covalent,SING,C35,O47,,,,,33524,bmse010449,1
53,covalent,SING,C36,O48,,,,,33524,bmse010449,1
54,covalent,SING,C37,C39,,,,,33524,bmse010449,1
55,covalent,SING,C37,O55,,,,,33524,bmse010449,1
56,covalent,SING,C38,O53,,,,,33524,bmse010449,1
57,covalent,SING,C39,O54,,,,,33524,bmse010449,1
58,covalent,SING,C1,H56,,,,,33524,bmse010449,1
59,covalent,SING,C1,H57,,,,,33524,bmse010449,1
60,covalent,SING,C1,H58,,,,,33524,bmse010449,1
61,covalent,SING,C2,H59,,,,,33524,bmse010449,1
62,covalent,SING,C2,H60,,,,,33524,bmse010449,1
63,covalent,SING,C2,H61,,,,,33524,bmse010449,1
64,covalent,SING,C3,H62,,,,,33524,bmse010449,1
65,covalent,SING,C3,H63,,,,,33524,bmse010449,1
66,covalent,SING,C3,H64,,,,,33524,bmse010449,1
67,covalent,SING,C4,H65,,,,,33524,bmse010449,1
68,covalent,SING,C4,H66,,,,,33524,bmse010449,1
69,covalent,SING,C4,H67,,,,,33524,bmse010449,1
70,covalent,SING,C5,H68,,,,,33524,bmse010449,1
71,covalent,SING,C5,H69,,,,,33524,bmse010449,1
72,covalent,SING,C5,H70,,,,,33524,bmse010449,1
73,covalent,SING,C6,H71,,,,,33524,bmse010449,1
74,covalent,SING,C6,H72,,,,,33524,bmse010449,1
75,covalent,SING,C6,H73,,,,,33524,bmse010449,1
76,covalent,SING,C7,H74,,,,,33524,bmse010449,1
77,covalent,SING,C7,H75,,,,,33524,bmse010449,1
78,covalent,SING,C7,H76,,,,,33524,bmse010449,1
79,covalent,SING,C8,H77,,,,,33524,bmse010449,1
80,covalent,SING,C8,H78,,,,,33524,bmse010449,1
81,covalent,SING,C8,H79,,,,,33524,bmse010449,1
82,covalent,SING,C9,H80,,,,,33524,bmse010449,1
83,covalent,SING,C9,H81,,,,,33524,bmse010449,1
84,covalent,SING,C9,H82,,,,,33524,bmse010449,1
85,covalent,SING,C10,H83,,,,,33524,bmse010449,1
86,covalent,SING,C11,H84,,,,,33524,bmse010449,1
87,covalent,SING,C12,H85,,,,,33524,bmse010449,1
88,covalent,SING,C13,H86,,,,,33524,bmse010449,1
89,covalent,SING,C14,H87,,,,,33524,bmse010449,1
90,covalent,SING,C15,H88,,,,,33524,bmse010449,1
91,covalent,SING,C16,H89,,,,,33524,bmse010449,1
92,covalent,SING,C17,H90,,,,,33524,bmse010449,1
93,covalent,SING,C18,H91,,,,,33524,bmse010449,1
94,covalent,SING,C19,H92,,,,,33524,bmse010449,1
95,covalent,SING,C19,H93,,,,,33524,bmse010449,1
96,covalent,SING,C20,H94,,,,,33524,bmse010449,1
97,covalent,SING,C20,H95,,,,,33524,bmse010449,1
98,covalent,SING,C30,H96,,,,,33524,bmse010449,1
99,covalent,SING,C37,H97,,,,,33524,bmse010449,1
100,covalent,SING,C38,H98,,,,,33524,bmse010449,1
101,covalent,SING,C39,H99,,,,,33524,bmse010449,1
1,covalent,SING,C1,C10,,,,,33544,bmse010450,1
2,covalent,SING,C2,C11,,,,,33544,bmse010450,1
3,covalent,SING,C3,C20,,,,,33544,bmse010450,1
4,covalent,SING,C4,C21,,,,,33544,bmse010450,1
5,covalent,SING,C5,C22,,,,,33544,bmse010450,1
6,covalent,SING,C6,C23,,,,,33544,bmse010450,1
7,covalent,SING,C7,O43,,,,,33544,bmse010450,1
8,covalent,SING,C8,O44,,,,,33544,bmse010450,1
9,covalent,SING,C9,O45,,,,,33544,bmse010450,1
10,covalent,SING,C10,C29,,,,,33544,bmse010450,1
11,covalent,SING,C11,C30,,,,,33544,bmse010450,1
12,covalent,DOUB,C12,C13,,,,,33544,bmse010450,1
13,covalent,SING,C12,C24,,,,,33544,bmse010450,1
14,covalent,SING,C13,C31,,,,,33544,bmse010450,1
15,covalent,DOUB,C14,C25,,,,,33544,bmse010450,1
16,covalent,SING,C14,C27,,,,,33544,bmse010450,1
17,covalent,DOUB,C15,C26,,,,,33544,bmse010450,1
18,covalent,SING,C15,C28,,,,,33544,bmse010450,1
19,covalent,DOUB,C16,C24,,,,,33544,bmse010450,1
20,covalent,SING,C16,C32,,,,,33544,bmse010450,1
21,covalent,SING,C17,C25,,,,,33544,bmse010450,1
22,covalent,DOUB,C17,C33,,,,,33544,bmse010450,1
23,covalent,SING,C18,C26,,,,,33544,bmse010450,1
24,covalent,DOUB,C18,C34,,,,,33544,bmse010450,1
25,covalent,SING,C19,C35,,,,,33544,bmse010450,1
26,covalent,SING,C19,O46,,,,,33544,bmse010450,1
27,covalent,DOUB,C20,O39,,,,,33544,bmse010450,1
28,covalent,SING,C20,O46,,,,,33544,bmse010450,1
29,covalent,DOUB,C21,O40,,,,,33544,bmse010450,1
30,covalent,SING,C21,O47,,,,,33544,bmse010450,1
31,covalent,DOUB,C22,O41,,,,,33544,bmse010450,1
32,covalent,SING,C22,O48,,,,,33544,bmse010450,1
33,covalent,DOUB,C23,O42,,,,,33544,bmse010450,1
34,covalent,SING,C23,O49,,,,,33544,bmse010450,1
35,covalent,SING,C24,C36,,,,,33544,bmse010450,1
36,covalent,SING,C25,C29,,,,,33544,bmse010450,1
37,covalent,SING,C26,C30,,,,,33544,bmse010450,1
38,covalent,SING,C27,C28,,,,,33544,bmse010450,1
39,covalent,DOUB,C27,C37,,,,,33544,bmse010450,1
40,covalent,DOUB,C28,C38,,,,,33544,bmse010450,1
41,covalent,SING,C29,O47,,,,,33544,bmse010450,1
42,covalent,SING,C30,O48,,,,,33544,bmse010450,1
43,covalent,DOUB,C31,C32,,,,,33544,bmse010450,1
44,covalent,SING,C31,O49,,,,,33544,bmse010450,1
45,covalent,SING,C32,O43,,,,,33544,bmse010450,1
46,covalent,SING,C33,C37,,,,,33544,bmse010450,1
47,covalent,SING,C33,O44,,,,,33544,bmse010450,1
48,covalent,SING,C34,C38,,,,,33544,bmse010450,1
49,covalent,SING,C34,O45,,,,,33544,bmse010450,1
50,covalent,SING,C35,C36,,,,,33544,bmse010450,1
51,covalent,SING,C35,O50,,,,,33544,bmse010450,1
52,covalent,SING,C36,O51,,,,,33544,bmse010450,1
53,covalent,SING,C37,O50,,,,,33544,bmse010450,1
54,covalent,SING,C38,O51,,,,,33544,bmse010450,1
55,covalent,SING,C1,H53,,,,,33544,bmse010450,1
56,covalent,SING,C1,H54,,,,,33544,bmse010450,1
57,covalent,SING,C1,H52,,,,,33544,bmse010450,1
58,covalent,SING,C2,H56,,,,,33544,bmse010450,1
59,covalent,SING,C2,H57,,,,,33544,bmse010450,1
60,covalent,SING,C2,H55,,,,,33544,bmse010450,1
61,covalent,SING,C3,H60,,,,,33544,bmse010450,1
62,covalent,SING,C3,H59,,,,,33544,bmse010450,1
63,covalent,SING,C3,H58,,,,,33544,bmse010450,1
64,covalent,SING,C4,H61,,,,,33544,bmse010450,1
65,covalent,SING,C4,H62,,,,,33544,bmse010450,1
66,covalent,SING,C4,H63,,,,,33544,bmse010450,1
67,covalent,SING,C5,H65,,,,,33544,bmse010450,1
68,covalent,SING,C5,H66,,,,,33544,bmse010450,1
69,covalent,SING,C5,H64,,,,,33544,bmse010450,1
70,covalent,SING,C6,H69,,,,,33544,bmse010450,1
71,covalent,SING,C6,H67,,,,,33544,bmse010450,1
72,covalent,SING,C6,H68,,,,,33544,bmse010450,1
73,covalent,SING,C7,H72,,,,,33544,bmse010450,1
74,covalent,SING,C7,H70,,,,,33544,bmse010450,1
75,covalent,SING,C7,H71,,,,,33544,bmse010450,1
76,covalent,SING,C8,H73,,,,,33544,bmse010450,1
77,covalent,SING,C8,H74,,,,,33544,bmse010450,1
78,covalent,SING,C8,H75,,,,,33544,bmse010450,1
79,covalent,SING,C9,H78,,,,,33544,bmse010450,1
80,covalent,SING,C9,H77,,,,,33544,bmse010450,1
81,covalent,SING,C9,H76,,,,,33544,bmse010450,1
82,covalent,SING,C10,H79,,,,,33544,bmse010450,1
83,covalent,SING,C10,H80,,,,,33544,bmse010450,1
84,covalent,SING,C11,H81,,,,,33544,bmse010450,1
85,covalent,SING,C11,H82,,,,,33544,bmse010450,1
86,covalent,SING,C12,H83,,,,,33544,bmse010450,1
87,covalent,SING,C13,H84,,,,,33544,bmse010450,1
88,covalent,SING,C14,H85,,,,,33544,bmse010450,1
89,covalent,SING,C15,H86,,,,,33544,bmse010450,1
90,covalent,SING,C16,H87,,,,,33544,bmse010450,1
91,covalent,SING,C17,H88,,,,,33544,bmse010450,1
92,covalent,SING,C18,H89,,,,,33544,bmse010450,1
93,covalent,SING,C19,H90,,,,,33544,bmse010450,1
94,covalent,SING,C19,H91,,,,,33544,bmse010450,1
95,covalent,SING,C29,H92,,,,,33544,bmse010450,1
96,covalent,SING,C30,H93,,,,,33544,bmse010450,1
97,covalent,SING,C35,H94,,,,,33544,bmse010450,1
98,covalent,SING,C36,H95,,,,,33544,bmse010450,1
1,covalent,SING,C1,C6,,,,,33564,bmse010451,1
2,covalent,SING,C2,O14,,,,,33564,bmse010451,1
3,covalent,DOUB,C3,C4,,,,,33564,bmse010451,1
4,covalent,SING,C3,C7,,,,,33564,bmse010451,1
5,covalent,SING,C4,C8,,,,,33564,bmse010451,1
6,covalent,DOUB,C5,C7,,,,,33564,bmse010451,1
7,covalent,SING,C5,C9,,,,,33564,bmse010451,1
8,covalent,SING,C6,C10,,,,,33564,bmse010451,1
9,covalent,SING,C6,O11,,,,,33564,bmse010451,1
10,covalent,SING,C7,C10,,,,,33564,bmse010451,1
11,covalent,DOUB,C8,C9,,,,,33564,bmse010451,1
12,covalent,SING,C8,O12,,,,,33564,bmse010451,1
13,covalent,SING,C9,O14,,,,,33564,bmse010451,1
14,covalent,SING,C10,O13,,,,,33564,bmse010451,1
15,covalent,SING,C1,H15,,,,,33564,bmse010451,1
16,covalent,SING,C1,H16,,,,,33564,bmse010451,1
17,covalent,SING,C1,H17,,,,,33564,bmse010451,1
18,covalent,SING,C2,H18,,,,,33564,bmse010451,1
19,covalent,SING,C2,H19,,,,,33564,bmse010451,1
20,covalent,SING,C2,H20,,,,,33564,bmse010451,1
21,covalent,SING,C3,H21,,,,,33564,bmse010451,1
22,covalent,SING,C4,H22,,,,,33564,bmse010451,1
23,covalent,SING,C5,H23,,,,,33564,bmse010451,1
24,covalent,SING,C6,H24,,,,,33564,bmse010451,1
25,covalent,SING,C10,H25,,,,,33564,bmse010451,1
26,covalent,SING,O11,H26,,,,,33564,bmse010451,1
27,covalent,SING,O12,H27,,,,,33564,bmse010451,1
28,covalent,SING,O13,H28,,,,,33564,bmse010451,1
1,covalent,SING,C1,C6,,,,,33584,bmse010452,1
2,covalent,DOUB,C1,C2,,,,,33584,bmse010452,1
3,covalent,SING,C2,C3,,,,,33584,bmse010452,1
4,covalent,DOUB,C3,C4,,,,,33584,bmse010452,1
5,covalent,SING,C4,C5,,,,,33584,bmse010452,1
6,covalent,DOUB,C5,C6,,,,,33584,bmse010452,1
7,covalent,SING,C1,C9,,,,,33584,bmse010452,1
8,covalent,SING,C9,O11,,,,,33584,bmse010452,1
9,covalent,SING,C10,O11,,,,,33584,bmse010452,1
10,covalent,SING,C7,O12,,,,,33584,bmse010452,1
11,covalent,SING,C4,O12,,,,,33584,bmse010452,1
12,covalent,SING,C8,O13,,,,,33584,bmse010452,1
13,covalent,SING,C5,O13,,,,,33584,bmse010452,1
14,covalent,SING,C2,H14,,,,,33584,bmse010452,1
15,covalent,SING,C3,H15,,,,,33584,bmse010452,1
16,covalent,SING,C6,H16,,,,,33584,bmse010452,1
17,covalent,SING,C7,H17,,,,,33584,bmse010452,1
18,covalent,SING,C7,H18,,,,,33584,bmse010452,1
19,covalent,SING,C7,H19,,,,,33584,bmse010452,1
20,covalent,SING,C8,H20,,,,,33584,bmse010452,1
21,covalent,SING,C8,H21,,,,,33584,bmse010452,1
22,covalent,SING,C8,H22,,,,,33584,bmse010452,1
23,covalent,SING,C9,H23,,,,,33584,bmse010452,1
24,covalent,SING,C9,H24,,,,,33584,bmse010452,1
25,covalent,SING,C10,H25,,,,,33584,bmse010452,1
26,covalent,SING,C10,H26,,,,,33584,bmse010452,1
27,covalent,SING,C10,H27,,,,,33584,bmse010452,1
1,covalent,SING,C1,C6,,,,,33604,bmse010453,1
2,covalent,DOUB,C1,C2,,,,,33604,bmse010453,1
3,covalent,SING,C2,C3,,,,,33604,bmse010453,1
4,covalent,DOUB,C3,C4,,,,,33604,bmse010453,1
5,covalent,SING,C4,C5,,,,,33604,bmse010453,1
6,covalent,DOUB,C5,C6,,,,,33604,bmse010453,1
7,covalent,SING,C1,C8,,,,,33604,bmse010453,1
8,covalent,DOUB,C8,C9,,,,,33604,bmse010453,1
9,covalent,SING,C9,C10,,,,,33604,bmse010453,1
10,covalent,SING,C9,C11,,,,,33604,bmse010453,1
11,covalent,SING,C12,C16,,,,,33604,bmse010453,1
12,covalent,DOUB,C12,C13,,,,,33604,bmse010453,1
13,covalent,SING,C13,C14,,,,,33604,bmse010453,1
14,covalent,DOUB,C15,C16,,,,,33604,bmse010453,1
15,covalent,DOUB,C10,C14,,,,,33604,bmse010453,1
16,covalent,SING,C10,C15,,,,,33604,bmse010453,1
17,covalent,DOUB,C11,O17,,,,,33604,bmse010453,1
18,covalent,SING,C11,O18,,,,,33604,bmse010453,1
19,covalent,SING,C4,O19,,,,,33604,bmse010453,1
20,covalent,SING,C5,O20,,,,,33604,bmse010453,1
21,covalent,SING,C7,O20,,,,,33604,bmse010453,1
22,covalent,SING,C2,H21,,,,,33604,bmse010453,1
23,covalent,SING,C3,H22,,,,,33604,bmse010453,1
24,covalent,SING,C6,H23,,,,,33604,bmse010453,1
25,covalent,SING,C7,H24,,,,,33604,bmse010453,1
26,covalent,SING,C7,H25,,,,,33604,bmse010453,1
27,covalent,SING,C7,H26,,,,,33604,bmse010453,1
28,covalent,SING,C8,H27,,,,,33604,bmse010453,1
29,covalent,SING,C12,H28,,,,,33604,bmse010453,1
30,covalent,SING,C13,H29,,,,,33604,bmse010453,1
31,covalent,SING,C14,H30,,,,,33604,bmse010453,1
32,covalent,SING,C15,H31,,,,,33604,bmse010453,1
33,covalent,SING,C16,H32,,,,,33604,bmse010453,1
34,covalent,SING,O18,H33,,,,,33604,bmse010453,1
35,covalent,SING,O19,H34,,,,,33604,bmse010453,1
1,covalent,SING,C1,C10,,,,,33624,bmse010454,1
2,covalent,SING,C2,C11,,,,,33624,bmse010454,1
3,covalent,SING,C3,C22,,,,,33624,bmse010454,1
4,covalent,SING,C4,C23,,,,,33624,bmse010454,1
5,covalent,SING,C5,C24,,,,,33624,bmse010454,1
6,covalent,SING,C6,C25,,,,,33624,bmse010454,1
7,covalent,SING,C7,O43,,,,,33624,bmse010454,1
8,covalent,SING,C8,O44,,,,,33624,bmse010454,1
9,covalent,SING,C9,O45,,,,,33624,bmse010454,1
10,covalent,SING,C10,C12,,,,,33624,bmse010454,1
11,covalent,SING,C11,C29,,,,,33624,bmse010454,1
12,covalent,SING,C12,C26,,,,,33624,bmse010454,1
13,covalent,DOUB,C13,C15,,,,,33624,bmse010454,1
14,covalent,SING,C13,C26,,,,,33624,bmse010454,1
15,covalent,DOUB,C14,C16,,,,,33624,bmse010454,1
16,covalent,SING,C14,C27,,,,,33624,bmse010454,1
17,covalent,SING,C15,C31,,,,,33624,bmse010454,1
18,covalent,SING,C16,C30,,,,,33624,bmse010454,1
19,covalent,DOUB,C17,C26,,,,,33624,bmse010454,1
20,covalent,SING,C17,C32,,,,,33624,bmse010454,1
21,covalent,DOUB,C18,C27,,,,,33624,bmse010454,1
22,covalent,SING,C18,C33,,,,,33624,bmse010454,1
23,covalent,DOUB,C19,C28,,,,,33624,bmse010454,1
24,covalent,SING,C19,C34,,,,,33624,bmse010454,1
25,covalent,SING,C20,C28,,,,,33624,bmse010454,1
26,covalent,DOUB,C20,C35,,,,,33624,bmse010454,1
27,covalent,SING,C21,C36,,,,,33624,bmse010454,1
28,covalent,SING,C21,O46,,,,,33624,bmse010454,1
29,covalent,DOUB,C22,O39,,,,,33624,bmse010454,1
30,covalent,SING,C22,O46,,,,,33624,bmse010454,1
31,covalent,DOUB,C23,O40,,,,,33624,bmse010454,1
32,covalent,SING,C23,O47,,,,,33624,bmse010454,1
33,covalent,DOUB,C24,O41,,,,,33624,bmse010454,1
34,covalent,SING,C24,O48,,,,,33624,bmse010454,1
35,covalent,DOUB,C25,O42,,,,,33624,bmse010454,1
36,covalent,SING,C25,O49,,,,,33624,bmse010454,1
37,covalent,SING,C27,C37,,,,,33624,bmse010454,1
38,covalent,SING,C28,C29,,,,,33624,bmse010454,1
39,covalent,SING,C29,O47,,,,,33624,bmse010454,1
40,covalent,DOUB,C30,C33,,,,,33624,bmse010454,1
41,covalent,SING,C30,O48,,,,,33624,bmse010454,1
42,covalent,DOUB,C31,C32,,,,,33624,bmse010454,1
43,covalent,SING,C31,O50,,,,,33624,bmse010454,1
44,covalent,SING,C32,O43,,,,,33624,bmse010454,1
45,covalent,SING,C33,O44,,,,,33624,bmse010454,1
46,covalent,DOUB,C34,C38,,,,,33624,bmse010454,1
47,covalent,SING,C34,O45,,,,,33624,bmse010454,1
48,covalent,SING,C35,C38,,,,,33624,bmse010454,1
49,covalent,SING,C35,O50,,,,,33624,bmse010454,1
50,covalent,SING,C36,C37,,,,,33624,bmse010454,1
51,covalent,SING,C36,O51,,,,,33624,bmse010454,1
52,covalent,SING,C37,O49,,,,,33624,bmse010454,1
53,covalent,SING,C38,O51,,,,,33624,bmse010454,1
54,covalent,SING,C1,H52,,,,,33624,bmse010454,1
55,covalent,SING,C1,H53,,,,,33624,bmse010454,1
56,covalent,SING,C1,H54,,,,,33624,bmse010454,1
57,covalent,SING,C2,H55,,,,,33624,bmse010454,1
58,covalent,SING,C2,H56,,,,,33624,bmse010454,1
59,covalent,SING,C2,H57,,,,,33624,bmse010454,1
60,covalent,SING,C3,H58,,,,,33624,bmse010454,1
61,covalent,SING,C3,H59,,,,,33624,bmse010454,1
62,covalent,SING,C3,H60,,,,,33624,bmse010454,1
63,covalent,SING,C4,H61,,,,,33624,bmse010454,1
64,covalent,SING,C4,H62,,,,,33624,bmse010454,1
65,covalent,SING,C4,H63,,,,,33624,bmse010454,1
66,covalent,SING,C5,H64,,,,,33624,bmse010454,1
67,covalent,SING,C5,H65,,,,,33624,bmse010454,1
68,covalent,SING,C5,H66,,,,,33624,bmse010454,1
69,covalent,SING,C6,H67,,,,,33624,bmse010454,1
70,covalent,SING,C6,H68,,,,,33624,bmse010454,1
71,covalent,SING,C6,H69,,,,,33624,bmse010454,1
72,covalent,SING,C7,H70,,,,,33624,bmse010454,1
73,covalent,SING,C7,H71,,,,,33624,bmse010454,1
74,covalent,SING,C7,H72,,,,,33624,bmse010454,1
75,covalent,SING,C8,H73,,,,,33624,bmse010454,1
76,covalent,SING,C8,H74,,,,,33624,bmse010454,1
77,covalent,SING,C8,H75,,,,,33624,bmse010454,1
78,covalent,SING,C9,H76,,,,,33624,bmse010454,1
79,covalent,SING,C9,H77,,,,,33624,bmse010454,1
80,covalent,SING,C9,H78,,,,,33624,bmse010454,1
81,covalent,SING,C10,H79,,,,,33624,bmse010454,1
82,covalent,SING,C10,H80,,,,,33624,bmse010454,1
83,covalent,SING,C11,H81,,,,,33624,bmse010454,1
84,covalent,SING,C11,H82,,,,,33624,bmse010454,1
85,covalent,SING,C12,H83,,,,,33624,bmse010454,1
86,covalent,SING,C12,H84,,,,,33624,bmse010454,1
87,covalent,SING,C13,H85,,,,,33624,bmse010454,1
88,covalent,SING,C14,H86,,,,,33624,bmse010454,1
89,covalent,SING,C15,H87,,,,,33624,bmse010454,1
90,covalent,SING,C16,H88,,,,,33624,bmse010454,1
91,covalent,SING,C17,H89,,,,,33624,bmse010454,1
92,covalent,SING,C18,H90,,,,,33624,bmse010454,1
93,covalent,SING,C19,H91,,,,,33624,bmse010454,1
94,covalent,SING,C20,H92,,,,,33624,bmse010454,1
95,covalent,SING,C21,H93,,,,,33624,bmse010454,1
96,covalent,SING,C21,H94,,,,,33624,bmse010454,1
97,covalent,SING,C29,H95,,,,,33624,bmse010454,1
98,covalent,SING,C36,H96,,,,,33624,bmse010454,1
99,covalent,SING,C37,H97,,,,,33624,bmse010454,1
1,covalent,SING,C1,C6,,,,,33644,bmse010455,1
2,covalent,DOUB,C1,C2,,,,,33644,bmse010455,1
3,covalent,SING,C2,C3,,,,,33644,bmse010455,1
4,covalent,DOUB,C3,C4,,,,,33644,bmse010455,1
5,covalent,SING,C4,C5,,,,,33644,bmse010455,1
6,covalent,DOUB,C5,C6,,,,,33644,bmse010455,1
7,covalent,SING,C7,C8,,,,,33644,bmse010455,1
8,covalent,SING,C1,C7,,,,,33644,bmse010455,1
9,covalent,SING,C10,C15,,,,,33644,bmse010455,1
10,covalent,DOUB,C10,C11,,,,,33644,bmse010455,1
11,covalent,SING,C11,C12,,,,,33644,bmse010455,1
12,covalent,DOUB,C12,C13,,,,,33644,bmse010455,1
13,covalent,SING,C13,C14,,,,,33644,bmse010455,1
14,covalent,DOUB,C14,C15,,,,,33644,bmse010455,1
15,covalent,SING,C16,C17,,,,,33644,bmse010455,1
16,covalent,SING,C13,C16,,,,,33644,bmse010455,1
17,covalent,SING,C18,O19,,,,,33644,bmse010455,1
18,covalent,SING,C11,O19,,,,,33644,bmse010455,1
19,covalent,SING,C5,O20,,,,,33644,bmse010455,1
20,covalent,SING,C10,O20,,,,,33644,bmse010455,1
21,covalent,DOUB,C16,O21,,,,,33644,bmse010455,1
22,covalent,DOUB,C7,O22,,,,,33644,bmse010455,1
23,covalent,SING,C4,O23,,,,,33644,bmse010455,1
24,covalent,SING,C3,O24,,,,,33644,bmse010455,1
25,covalent,SING,C9,O24,,,,,33644,bmse010455,1
26,covalent,SING,C2,H25,,,,,33644,bmse010455,1
27,covalent,SING,C6,H26,,,,,33644,bmse010455,1
28,covalent,SING,C8,H27,,,,,33644,bmse010455,1
29,covalent,SING,C8,H28,,,,,33644,bmse010455,1
30,covalent,SING,C8,H29,,,,,33644,bmse010455,1
31,covalent,SING,C9,H30,,,,,33644,bmse010455,1
32,covalent,SING,C9,H31,,,,,33644,bmse010455,1
33,covalent,SING,C9,H32,,,,,33644,bmse010455,1
34,covalent,SING,C12,H33,,,,,33644,bmse010455,1
35,covalent,SING,C14,H34,,,,,33644,bmse010455,1
36,covalent,SING,C15,H35,,,,,33644,bmse010455,1
37,covalent,SING,C17,H36,,,,,33644,bmse010455,1
38,covalent,SING,C17,H37,,,,,33644,bmse010455,1
39,covalent,SING,C17,H38,,,,,33644,bmse010455,1
40,covalent,SING,C18,H39,,,,,33644,bmse010455,1
41,covalent,SING,C18,H40,,,,,33644,bmse010455,1
42,covalent,SING,C18,H41,,,,,33644,bmse010455,1
43,covalent,SING,O23,H42,,,,,33644,bmse010455,1
1,covalent,SING,C1,C6,,,,,33664,bmse010456,1
2,covalent,DOUB,C1,C2,,,,,33664,bmse010456,1
3,covalent,SING,C2,C3,,,,,33664,bmse010456,1
4,covalent,DOUB,C3,C4,,,,,33664,bmse010456,1
5,covalent,SING,C4,C5,,,,,33664,bmse010456,1
6,covalent,DOUB,C5,C6,,,,,33664,bmse010456,1
7,covalent,SING,C1,C8,,,,,33664,bmse010456,1
8,covalent,SING,C8,C9,,,,,33664,bmse010456,1
9,covalent,DOUB,C9,C10,,,,,33664,bmse010456,1
10,covalent,SING,C11,C16,,,,,33664,bmse010456,1
11,covalent,DOUB,C11,C12,,,,,33664,bmse010456,1
12,covalent,SING,C12,C13,,,,,33664,bmse010456,1
13,covalent,DOUB,C13,C14,,,,,33664,bmse010456,1
14,covalent,SING,C14,C15,,,,,33664,bmse010456,1
15,covalent,DOUB,C15,C16,,,,,33664,bmse010456,1
16,covalent,SING,C10,C11,,,,,33664,bmse010456,1
17,covalent,SING,C4,O18,,,,,33664,bmse010456,1
18,covalent,SING,C5,O19,,,,,33664,bmse010456,1
19,covalent,SING,C7,O19,,,,,33664,bmse010456,1
20,covalent,SING,C8,O20,,,,,33664,bmse010456,1
21,covalent,SING,C14,O21,,,,,33664,bmse010456,1
22,covalent,SING,C17,O22,,,,,33664,bmse010456,1
23,covalent,SING,C15,O22,,,,,33664,bmse010456,1
24,covalent,SING,C2,H23,,,,,33664,bmse010456,1
25,covalent,SING,C3,H24,,,,,33664,bmse010456,1
26,covalent,SING,C6,H25,,,,,33664,bmse010456,1
27,covalent,SING,C7,H26,,,,,33664,bmse010456,1
28,covalent,SING,C7,H27,,,,,33664,bmse010456,1
29,covalent,SING,C7,H28,,,,,33664,bmse010456,1
30,covalent,SING,C8,H29,,,,,33664,bmse010456,1
31,covalent,SING,C9,H30,,,,,33664,bmse010456,1
32,covalent,SING,C10,H31,,,,,33664,bmse010456,1
33,covalent,SING,C12,H32,,,,,33664,bmse010456,1
34,covalent,SING,C13,H33,,,,,33664,bmse010456,1
35,covalent,SING,C16,H34,,,,,33664,bmse010456,1
36,covalent,SING,C17,H35,,,,,33664,bmse010456,1
37,covalent,SING,C17,H36,,,,,33664,bmse010456,1
38,covalent,SING,C17,H37,,,,,33664,bmse010456,1
39,covalent,SING,O18,H38,,,,,33664,bmse010456,1
40,covalent,SING,O20,H39,,,,,33664,bmse010456,1
41,covalent,SING,O21,H40,,,,,33664,bmse010456,1
1,covalent,SING,C9,C7,,,,,33684,bmse010457,1
2,covalent,DOUB,C9,C8,,,,,33684,bmse010457,1
3,covalent,SING,C8,C11,,,,,33684,bmse010457,1
4,covalent,DOUB,C11,C12,,,,,33684,bmse010457,1
5,covalent,SING,C12,C10,,,,,33684,bmse010457,1
6,covalent,DOUB,C10,C7,,,,,33684,bmse010457,1
7,covalent,DOUB,C5,C4,,,,,33684,bmse010457,1
8,covalent,SING,C4,C6,,,,,33684,bmse010457,1
9,covalent,SING,C9,C5,,,,,33684,bmse010457,1
10,covalent,SING,C2,O15,,,,,33684,bmse010457,1
11,covalent,SING,C11,O15,,,,,33684,bmse010457,1
12,covalent,SING,C3,O16,,,,,33684,bmse010457,1
13,covalent,SING,C12,O16,,,,,33684,bmse010457,1
14,covalent,SING,C1,O14,,,,,33684,bmse010457,1
15,covalent,SING,C10,O14,,,,,33684,bmse010457,1
16,covalent,SING,C6,O13,,,,,33684,bmse010457,1
17,covalent,SING,C8,H31,,,,,33684,bmse010457,1
18,covalent,SING,C7,H30,,,,,33684,bmse010457,1
19,covalent,SING,C5,H27,,,,,33684,bmse010457,1
20,covalent,SING,C4,H26,,,,,33684,bmse010457,1
21,covalent,SING,C6,H28,,,,,33684,bmse010457,1
22,covalent,SING,C6,H29,,,,,33684,bmse010457,1
23,covalent,SING,C3,H23,,,,,33684,bmse010457,1
24,covalent,SING,C3,H24,,,,,33684,bmse010457,1
25,covalent,SING,C3,H25,,,,,33684,bmse010457,1
26,covalent,SING,C1,H17,,,,,33684,bmse010457,1
27,covalent,SING,C1,H19,,,,,33684,bmse010457,1
28,covalent,SING,C1,H18,,,,,33684,bmse010457,1
29,covalent,SING,C2,H20,,,,,33684,bmse010457,1
30,covalent,SING,C2,H22,,,,,33684,bmse010457,1
31,covalent,SING,C2,H21,,,,,33684,bmse010457,1
32,covalent,SING,O13,H32,,,,,33684,bmse010457,1
1,covalent,SING,C1,O24,,,,,33704,bmse010458,1
2,covalent,SING,C2,O25,,,,,33704,bmse010458,1
3,covalent,DOUB,C3,C4,,,,,33704,bmse010458,1
4,covalent,SING,C3,C7,,,,,33704,bmse010458,1
5,covalent,SING,C4,C12,,,,,33704,bmse010458,1
6,covalent,DOUB,C5,C6,,,,,33704,bmse010458,1
7,covalent,SING,C5,C13,,,,,33704,bmse010458,1
8,covalent,SING,C6,C16,,,,,33704,bmse010458,1
9,covalent,SING,C7,O21,,,,,33704,bmse010458,1
10,covalent,DOUB,C8,C12,,,,,33704,bmse010458,1
11,covalent,SING,C8,C14,,,,,33704,bmse010458,1
12,covalent,SING,C9,C12,,,,,33704,bmse010458,1
13,covalent,DOUB,C9,C18,,,,,33704,bmse010458,1
14,covalent,DOUB,C10,C13,,,,,33704,bmse010458,1
15,covalent,SING,C10,C17,,,,,33704,bmse010458,1
16,covalent,SING,C11,C15,,,,,33704,bmse010458,1
17,covalent,SING,C11,O22,,,,,33704,bmse010458,1
18,covalent,SING,C13,C19,,,,,33704,bmse010458,1
19,covalent,SING,C14,C15,,,,,33704,bmse010458,1
20,covalent,DOUB,C14,C20,,,,,33704,bmse010458,1
21,covalent,SING,C15,C19,,,,,33704,bmse010458,1
22,covalent,DOUB,C16,C17,,,,,33704,bmse010458,1
23,covalent,SING,C16,O23,,,,,33704,bmse010458,1
24,covalent,SING,C17,O24,,,,,33704,bmse010458,1
25,covalent,SING,C18,C20,,,,,33704,bmse010458,1
26,covalent,SING,C18,O25,,,,,33704,bmse010458,1
27,covalent,SING,C19,O26,,,,,33704,bmse010458,1
28,covalent,SING,C20,O26,,,,,33704,bmse010458,1
29,covalent,SING,C1,H27,,,,,33704,bmse010458,1
30,covalent,SING,C1,H28,,,,,33704,bmse010458,1
31,covalent,SING,C1,H29,,,,,33704,bmse010458,1
32,covalent,SING,C2,H30,,,,,33704,bmse010458,1
33,covalent,SING,C2,H31,,,,,33704,bmse010458,1
34,covalent,SING,C2,H32,,,,,33704,bmse010458,1
35,covalent,SING,C3,H33,,,,,33704,bmse010458,1
36,covalent,SING,C4,H34,,,,,33704,bmse010458,1
37,covalent,SING,C5,H35,,,,,33704,bmse010458,1
38,covalent,SING,C6,H36,,,,,33704,bmse010458,1
39,covalent,SING,C7,H37,,,,,33704,bmse010458,1
40,covalent,SING,C7,H38,,,,,33704,bmse010458,1
41,covalent,SING,C8,H39,,,,,33704,bmse010458,1
42,covalent,SING,C9,H40,,,,,33704,bmse010458,1
43,covalent,SING,C10,H41,,,,,33704,bmse010458,1
44,covalent,SING,C11,H42,,,,,33704,bmse010458,1
45,covalent,SING,C11,H43,,,,,33704,bmse010458,1
46,covalent,SING,C15,H44,,,,,33704,bmse010458,1
47,covalent,SING,C19,H45,,,,,33704,bmse010458,1
48,covalent,SING,O21,H46,,,,,33704,bmse010458,1
49,covalent,SING,O22,H47,,,,,33704,bmse010458,1
50,covalent,SING,O23,H48,,,,,33704,bmse010458,1
1,covalent,SING,C1,O21,,,,,33724,bmse010459,1
2,covalent,SING,C2,O22,,,,,33724,bmse010459,1
3,covalent,SING,C3,C4,,,,,33724,bmse010459,1
4,covalent,DOUB,C3,C5,,,,,33724,bmse010459,1
5,covalent,DOUB,C4,C6,,,,,33724,bmse010459,1
6,covalent,SING,C5,C13,,,,,33724,bmse010459,1
7,covalent,SING,C6,C14,,,,,33724,bmse010459,1
8,covalent,DOUB,C7,C9,,,,,33724,bmse010459,1
9,covalent,SING,C7,C13,,,,,33724,bmse010459,1
10,covalent,DOUB,C8,C10,,,,,33724,bmse010459,1
11,covalent,SING,C8,C14,,,,,33724,bmse010459,1
12,covalent,SING,C9,C15,,,,,33724,bmse010459,1
13,covalent,SING,C10,C16,,,,,33724,bmse010459,1
14,covalent,DOUB,C11,C13,,,,,33724,bmse010459,1
15,covalent,SING,C11,C17,,,,,33724,bmse010459,1
16,covalent,DOUB,C12,C14,,,,,33724,bmse010459,1
17,covalent,SING,C12,C18,,,,,33724,bmse010459,1
18,covalent,DOUB,C15,C17,,,,,33724,bmse010459,1
19,covalent,SING,C15,O19,,,,,33724,bmse010459,1
20,covalent,DOUB,C16,C18,,,,,33724,bmse010459,1
21,covalent,SING,C16,O20,,,,,33724,bmse010459,1
22,covalent,SING,C17,O21,,,,,33724,bmse010459,1
23,covalent,SING,C18,O22,,,,,33724,bmse010459,1
24,covalent,SING,C1,H24,,,,,33724,bmse010459,1
25,covalent,SING,C1,H25,,,,,33724,bmse010459,1
26,covalent,SING,C1,H23,,,,,33724,bmse010459,1
27,covalent,SING,C2,H27,,,,,33724,bmse010459,1
28,covalent,SING,C2,H28,,,,,33724,bmse010459,1
29,covalent,SING,C2,H26,,,,,33724,bmse010459,1
30,covalent,SING,C3,H29,,,,,33724,bmse010459,1
31,covalent,SING,C4,H30,,,,,33724,bmse010459,1
32,covalent,SING,C5,H31,,,,,33724,bmse010459,1
33,covalent,SING,C6,H32,,,,,33724,bmse010459,1
34,covalent,SING,C7,H33,,,,,33724,bmse010459,1
35,covalent,SING,C8,H34,,,,,33724,bmse010459,1
36,covalent,SING,C9,H35,,,,,33724,bmse010459,1
37,covalent,SING,C10,H36,,,,,33724,bmse010459,1
38,covalent,SING,C11,H37,,,,,33724,bmse010459,1
39,covalent,SING,C12,H38,,,,,33724,bmse010459,1
40,covalent,SING,O19,H39,,,,,33724,bmse010459,1
41,covalent,SING,O20,H40,,,,,33724,bmse010459,1
1,covalent,SING,C1,O20,,,,,33744,bmse010460,1
2,covalent,DOUB,C2,C3,,,,,33744,bmse010460,1
3,covalent,SING,C2,C4,,,,,33744,bmse010460,1
4,covalent,SING,C3,C7,,,,,33744,bmse010460,1
5,covalent,DOUB,C4,C8,,,,,33744,bmse010460,1
6,covalent,DOUB,C5,C6,,,,,33744,bmse010460,1
7,covalent,SING,C5,C11,,,,,33744,bmse010460,1
8,covalent,SING,C6,C13,,,,,33744,bmse010460,1
9,covalent,DOUB,C7,C14,,,,,33744,bmse010460,1
10,covalent,SING,C8,C14,,,,,33744,bmse010460,1
11,covalent,DOUB,C9,C10,,,,,33744,bmse010460,1
12,covalent,SING,C9,C13,,,,,33744,bmse010460,1
13,covalent,SING,C10,C15,,,,,33744,bmse010460,1
14,covalent,SING,C11,O21,,,,,33744,bmse010460,1
15,covalent,DOUB,C12,C13,,,,,33744,bmse010460,1
16,covalent,SING,C12,C16,,,,,33744,bmse010460,1
17,covalent,SING,C14,C17,,,,,33744,bmse010460,1
18,covalent,DOUB,C15,C16,,,,,33744,bmse010460,1
19,covalent,SING,C15,O18,,,,,33744,bmse010460,1
20,covalent,SING,C16,O20,,,,,33744,bmse010460,1
21,covalent,DOUB,C17,O19,,,,,33744,bmse010460,1
22,covalent,SING,C17,O21,,,,,33744,bmse010460,1
23,covalent,SING,C1,H23,,,,,33744,bmse010460,1
24,covalent,SING,C1,H22,,,,,33744,bmse010460,1
25,covalent,SING,C1,H24,,,,,33744,bmse010460,1
26,covalent,SING,C2,H25,,,,,33744,bmse010460,1
27,covalent,SING,C3,H26,,,,,33744,bmse010460,1
28,covalent,SING,C4,H27,,,,,33744,bmse010460,1
29,covalent,SING,C5,H28,,,,,33744,bmse010460,1
30,covalent,SING,C6,H29,,,,,33744,bmse010460,1
31,covalent,SING,C7,H30,,,,,33744,bmse010460,1
32,covalent,SING,C8,H31,,,,,33744,bmse010460,1
33,covalent,SING,C9,H32,,,,,33744,bmse010460,1
34,covalent,SING,C10,H33,,,,,33744,bmse010460,1
35,covalent,SING,C11,H34,,,,,33744,bmse010460,1
36,covalent,SING,C11,H35,,,,,33744,bmse010460,1
37,covalent,SING,C12,H36,,,,,33744,bmse010460,1
38,covalent,SING,O18,H37,,,,,33744,bmse010460,1
1,covalent,SING,C1,O25,,,,,33764,bmse010461,1
2,covalent,SING,C2,O26,,,,,33764,bmse010461,1
3,covalent,DOUB,C3,C4,,,,,33764,bmse010461,1
4,covalent,SING,C3,C9,,,,,33764,bmse010461,1
5,covalent,SING,C4,C13,,,,,33764,bmse010461,1
6,covalent,DOUB,C5,C8,,,,,33764,bmse010461,1
7,covalent,SING,C5,C13,,,,,33764,bmse010461,1
8,covalent,DOUB,C6,C7,,,,,33764,bmse010461,1
9,covalent,SING,C6,C14,,,,,33764,bmse010461,1
10,covalent,SING,C7,C15,,,,,33764,bmse010461,1
11,covalent,SING,C8,C16,,,,,33764,bmse010461,1
12,covalent,SING,C9,O21,,,,,33764,bmse010461,1
13,covalent,DOUB,C10,C13,,,,,33764,bmse010461,1
14,covalent,SING,C10,C18,,,,,33764,bmse010461,1
15,covalent,DOUB,C11,C14,,,,,33764,bmse010461,1
16,covalent,SING,C11,C17,,,,,33764,bmse010461,1
17,covalent,SING,C12,C19,,,,,33764,bmse010461,1
18,covalent,SING,C12,O22,,,,,33764,bmse010461,1
19,covalent,SING,C14,C20,,,,,33764,bmse010461,1
20,covalent,DOUB,C15,C17,,,,,33764,bmse010461,1
21,covalent,SING,C15,O23,,,,,33764,bmse010461,1
22,covalent,DOUB,C16,C18,,,,,33764,bmse010461,1
23,covalent,SING,C16,O27,,,,,33764,bmse010461,1
24,covalent,SING,C17,O25,,,,,33764,bmse010461,1
25,covalent,SING,C18,O26,,,,,33764,bmse010461,1
26,covalent,SING,C19,C20,,,,,33764,bmse010461,1
27,covalent,SING,C19,O27,,,,,33764,bmse010461,1
28,covalent,SING,C20,O24,,,,,33764,bmse010461,1
29,covalent,SING,C1,H28,,,,,33764,bmse010461,1
30,covalent,SING,C1,H29,,,,,33764,bmse010461,1
31,covalent,SING,C1,H30,,,,,33764,bmse010461,1
32,covalent,SING,C2,H32,,,,,33764,bmse010461,1
33,covalent,SING,C2,H31,,,,,33764,bmse010461,1
34,covalent,SING,C2,H33,,,,,33764,bmse010461,1
35,covalent,SING,C3,H34,,,,,33764,bmse010461,1
36,covalent,SING,C4,H35,,,,,33764,bmse010461,1
37,covalent,SING,C5,H36,,,,,33764,bmse010461,1
38,covalent,SING,C6,H37,,,,,33764,bmse010461,1
39,covalent,SING,C7,H38,,,,,33764,bmse010461,1
40,covalent,SING,C8,H39,,,,,33764,bmse010461,1
41,covalent,SING,C9,H40,,,,,33764,bmse010461,1
42,covalent,SING,C9,H41,,,,,33764,bmse010461,1
43,covalent,SING,C10,H42,,,,,33764,bmse010461,1
44,covalent,SING,C11,H43,,,,,33764,bmse010461,1
45,covalent,SING,C12,H44,,,,,33764,bmse010461,1
46,covalent,SING,C12,H45,,,,,33764,bmse010461,1
47,covalent,SING,C19,H46,,,,,33764,bmse010461,1
48,covalent,SING,C20,H47,,,,,33764,bmse010461,1
49,covalent,SING,O21,H48,,,,,33764,bmse010461,1
50,covalent,SING,O22,H49,,,,,33764,bmse010461,1
51,covalent,SING,O23,H50,,,,,33764,bmse010461,1
52,covalent,SING,O24,H51,,,,,33764,bmse010461,1
1,covalent,SING,C1,O25,,,,,33784,bmse010462,1
2,covalent,SING,C2,O26,,,,,33784,bmse010462,1
3,covalent,DOUB,C3,C4,,,,,33784,bmse010462,1
4,covalent,SING,C3,C9,,,,,33784,bmse010462,1
5,covalent,SING,C4,C13,,,,,33784,bmse010462,1
6,covalent,DOUB,C5,C8,,,,,33784,bmse010462,1
7,covalent,SING,C5,C13,,,,,33784,bmse010462,1
8,covalent,DOUB,C6,C7,,,,,33784,bmse010462,1
9,covalent,SING,C6,C14,,,,,33784,bmse010462,1
10,covalent,SING,C7,C15,,,,,33784,bmse010462,1
11,covalent,SING,C8,C16,,,,,33784,bmse010462,1
12,covalent,SING,C9,O21,,,,,33784,bmse010462,1
13,covalent,DOUB,C10,C13,,,,,33784,bmse010462,1
14,covalent,SING,C10,C18,,,,,33784,bmse010462,1
15,covalent,DOUB,C11,C14,,,,,33784,bmse010462,1
16,covalent,SING,C11,C17,,,,,33784,bmse010462,1
17,covalent,SING,C12,C19,,,,,33784,bmse010462,1
18,covalent,SING,C12,O22,,,,,33784,bmse010462,1
19,covalent,SING,C14,C20,,,,,33784,bmse010462,1
20,covalent,DOUB,C15,C17,,,,,33784,bmse010462,1
21,covalent,SING,C15,O23,,,,,33784,bmse010462,1
22,covalent,DOUB,C16,C18,,,,,33784,bmse010462,1
23,covalent,SING,C16,O27,,,,,33784,bmse010462,1
24,covalent,SING,C17,O25,,,,,33784,bmse010462,1
25,covalent,SING,C18,O26,,,,,33784,bmse010462,1
26,covalent,SING,C19,C20,,,,,33784,bmse010462,1
27,covalent,SING,C19,O27,,,,,33784,bmse010462,1
28,covalent,SING,C20,O24,,,,,33784,bmse010462,1
29,covalent,SING,C1,H28,,,,,33784,bmse010462,1
30,covalent,SING,C1,H29,,,,,33784,bmse010462,1
31,covalent,SING,C1,H30,,,,,33784,bmse010462,1
32,covalent,SING,C2,H32,,,,,33784,bmse010462,1
33,covalent,SING,C2,H31,,,,,33784,bmse010462,1
34,covalent,SING,C2,H33,,,,,33784,bmse010462,1
35,covalent,SING,C3,H34,,,,,33784,bmse010462,1
36,covalent,SING,C4,H35,,,,,33784,bmse010462,1
37,covalent,SING,C5,H36,,,,,33784,bmse010462,1
38,covalent,SING,C6,H37,,,,,33784,bmse010462,1
39,covalent,SING,C7,H38,,,,,33784,bmse010462,1
40,covalent,SING,C8,H39,,,,,33784,bmse010462,1
41,covalent,SING,C9,H40,,,,,33784,bmse010462,1
42,covalent,SING,C9,H41,,,,,33784,bmse010462,1
43,covalent,SING,C10,H42,,,,,33784,bmse010462,1
44,covalent,SING,C11,H43,,,,,33784,bmse010462,1
45,covalent,SING,C12,H44,,,,,33784,bmse010462,1
46,covalent,SING,C12,H45,,,,,33784,bmse010462,1
47,covalent,SING,C19,H46,,,,,33784,bmse010462,1
48,covalent,SING,C20,H47,,,,,33784,bmse010462,1
49,covalent,SING,O21,H48,,,,,33784,bmse010462,1
50,covalent,SING,O22,H49,,,,,33784,bmse010462,1
51,covalent,SING,O23,H50,,,,,33784,bmse010462,1
52,covalent,SING,O24,H51,,,,,33784,bmse010462,1
1,covalent,SING,C1,O45,,,,,33804,bmse010463,1
2,covalent,SING,C2,O46,,,,,33804,bmse010463,1
3,covalent,SING,C3,O47,,,,,33804,bmse010463,1
4,covalent,SING,C4,O48,,,,,33804,bmse010463,1
5,covalent,SING,C5,O49,,,,,33804,bmse010463,1
6,covalent,DOUB,C6,C7,,,,,33804,bmse010463,1
7,covalent,SING,C6,C15,,,,,33804,bmse010463,1
8,covalent,SING,C7,C24,,,,,33804,bmse010463,1
9,covalent,DOUB,C8,C11,,,,,33804,bmse010463,1
10,covalent,SING,C8,C24,,,,,33804,bmse010463,1
11,covalent,DOUB,C9,C12,,,,,33804,bmse010463,1
12,covalent,SING,C9,C27,,,,,33804,bmse010463,1
13,covalent,DOUB,C10,C13,,,,,33804,bmse010463,1
14,covalent,SING,C10,C26,,,,,33804,bmse010463,1
15,covalent,SING,C11,C31,,,,,33804,bmse010463,1
16,covalent,SING,C12,C30,,,,,33804,bmse010463,1
17,covalent,SING,C13,C32,,,,,33804,bmse010463,1
18,covalent,DOUB,C14,C16,,,,,33804,bmse010463,1
19,covalent,SING,C14,C25,,,,,33804,bmse010463,1
20,covalent,SING,C15,O41,,,,,33804,bmse010463,1
21,covalent,SING,C16,O42,,,,,33804,bmse010463,1
22,covalent,DOUB,C17,C25,,,,,33804,bmse010463,1
23,covalent,SING,C17,C28,,,,,33804,bmse010463,1
24,covalent,DOUB,C18,C24,,,,,33804,bmse010463,1
25,covalent,SING,C18,C33,,,,,33804,bmse010463,1
26,covalent,SING,C19,C25,,,,,33804,bmse010463,1
27,covalent,DOUB,C19,C36,,,,,33804,bmse010463,1
28,covalent,DOUB,C20,C26,,,,,33804,bmse010463,1
29,covalent,SING,C20,C35,,,,,33804,bmse010463,1
30,covalent,DOUB,C21,C27,,,,,33804,bmse010463,1
31,covalent,SING,C21,C34,,,,,33804,bmse010463,1
32,covalent,SING,C29,C22,,,,,33804,bmse010463,1
33,covalent,SING,C22,O43,,,,,33804,bmse010463,1
34,covalent,SING,C23,C37,,,,,33804,bmse010463,1
35,covalent,SING,C23,O44,,,,,33804,bmse010463,1
36,covalent,SING,C38,C26,,,,,33804,bmse010463,1
37,covalent,SING,C27,C39,,,,,33804,bmse010463,1
38,covalent,SING,C28,C29,,,,,33804,bmse010463,1
39,covalent,DOUB,C28,C40,,,,,33804,bmse010463,1
40,covalent,SING,C29,C38,,,,,33804,bmse010463,1
41,covalent,DOUB,C30,C34,,,,,33804,bmse010463,1
42,covalent,SING,C30,O45,,,,,33804,bmse010463,1
43,covalent,DOUB,C31,C33,,,,,33804,bmse010463,1
44,covalent,SING,C31,O50,,,,,33804,bmse010463,1
45,covalent,DOUB,C32,C35,,,,,33804,bmse010463,1
46,covalent,SING,C32,O51,,,,,33804,bmse010463,1
47,covalent,SING,C33,O46,,,,,33804,bmse010463,1
48,covalent,SING,C34,O47,,,,,33804,bmse010463,1
49,covalent,SING,C35,O48,,,,,33804,bmse010463,1
50,covalent,SING,C36,C40,,,,,33804,bmse010463,1
51,covalent,SING,C36,O49,,,,,33804,bmse010463,1
52,covalent,SING,C37,C39,,,,,33804,bmse010463,1
53,covalent,SING,C37,O50,,,,,33804,bmse010463,1
54,covalent,SING,C38,O52,,,,,33804,bmse010463,1
55,covalent,SING,C39,O51,,,,,33804,bmse010463,1
56,covalent,SING,C40,O52,,,,,33804,bmse010463,1
57,covalent,SING,C1,H53,,,,,33804,bmse010463,1
58,covalent,SING,C1,H54,,,,,33804,bmse010463,1
59,covalent,SING,C1,H55,,,,,33804,bmse010463,1
60,covalent,SING,C2,H56,,,,,33804,bmse010463,1
61,covalent,SING,C2,H57,,,,,33804,bmse010463,1
62,covalent,SING,C2,H58,,,,,33804,bmse010463,1
63,covalent,SING,C3,H59,,,,,33804,bmse010463,1
64,covalent,SING,C3,H60,,,,,33804,bmse010463,1
65,covalent,SING,C3,H61,,,,,33804,bmse010463,1
66,covalent,SING,C4,H62,,,,,33804,bmse010463,1
67,covalent,SING,C4,H63,,,,,33804,bmse010463,1
68,covalent,SING,C4,H64,,,,,33804,bmse010463,1
69,covalent,SING,C5,H65,,,,,33804,bmse010463,1
70,covalent,SING,C5,H66,,,,,33804,bmse010463,1
71,covalent,SING,C5,H67,,,,,33804,bmse010463,1
72,covalent,SING,C6,H68,,,,,33804,bmse010463,1
73,covalent,SING,C7,H69,,,,,33804,bmse010463,1
74,covalent,SING,C8,H70,,,,,33804,bmse010463,1
75,covalent,SING,C9,H71,,,,,33804,bmse010463,1
76,covalent,SING,C10,H72,,,,,33804,bmse010463,1
77,covalent,SING,C11,H73,,,,,33804,bmse010463,1
78,covalent,SING,C12,H74,,,,,33804,bmse010463,1
79,covalent,SING,C13,H75,,,,,33804,bmse010463,1
80,covalent,SING,C14,H76,,,,,33804,bmse010463,1
81,covalent,SING,C15,H77,,,,,33804,bmse010463,1
82,covalent,SING,C15,H78,,,,,33804,bmse010463,1
83,covalent,SING,C16,H79,,,,,33804,bmse010463,1
84,covalent,SING,C17,H80,,,,,33804,bmse010463,1
85,covalent,SING,C18,H81,,,,,33804,bmse010463,1
86,covalent,SING,C19,H82,,,,,33804,bmse010463,1
87,covalent,SING,C20,H83,,,,,33804,bmse010463,1
88,covalent,SING,C21,H84,,,,,33804,bmse010463,1
89,covalent,SING,C22,H85,,,,,33804,bmse010463,1
90,covalent,SING,C22,H86,,,,,33804,bmse010463,1
91,covalent,SING,C23,H87,,,,,33804,bmse010463,1
92,covalent,SING,C23,H88,,,,,33804,bmse010463,1
93,covalent,SING,C29,H89,,,,,33804,bmse010463,1
94,covalent,SING,C37,H90,,,,,33804,bmse010463,1
95,covalent,SING,C38,H91,,,,,33804,bmse010463,1
96,covalent,SING,C39,H92,,,,,33804,bmse010463,1
97,covalent,SING,O41,H93,,,,,33804,bmse010463,1
98,covalent,SING,O42,H94,,,,,33804,bmse010463,1
99,covalent,SING,O43,H95,,,,,33804,bmse010463,1
100,covalent,SING,O44,H96,,,,,33804,bmse010463,1
1,covalent,SING,C1,C5,,,,,33821,bmse010464,1
2,covalent,SING,C2,C6,,,,,33821,bmse010464,1
3,covalent,SING,C3,O29,,,,,33821,bmse010464,1
4,covalent,SING,C4,O30,,,,,33821,bmse010464,1
5,covalent,SING,C5,O31,,,,,33821,bmse010464,1
6,covalent,SING,C6,O32,,,,,33821,bmse010464,1
7,covalent,DOUB,C7,C10,,,,,33821,bmse010464,1
8,covalent,SING,C7,C15,,,,,33821,bmse010464,1
9,covalent,DOUB,C8,C11,,,,,33821,bmse010464,1
10,covalent,SING,C8,C16,,,,,33821,bmse010464,1
11,covalent,DOUB,C9,C12,,,,,33821,bmse010464,1
12,covalent,SING,C9,C16,,,,,33821,bmse010464,1
13,covalent,SING,C10,C18,,,,,33821,bmse010464,1
14,covalent,SING,C11,C19,,,,,33821,bmse010464,1
15,covalent,SING,C12,C21,,,,,33821,bmse010464,1
16,covalent,SING,C13,C15,,,,,33821,bmse010464,1
17,covalent,DOUB,C13,C17,,,,,33821,bmse010464,1
18,covalent,DOUB,C14,C15,,,,,33821,bmse010464,1
19,covalent,SING,C14,C20,,,,,33821,bmse010464,1
20,covalent,DOUB,C16,C22,,,,,33821,bmse010464,1
21,covalent,SING,C17,C22,,,,,33821,bmse010464,1
22,covalent,SING,C17,C24,,,,,33821,bmse010464,1
23,covalent,DOUB,C18,C20,,,,,33821,bmse010464,1
24,covalent,SING,C18,O25,,,,,33821,bmse010464,1
25,covalent,DOUB,C19,C23,,,,,33821,bmse010464,1
26,covalent,SING,C19,O29,,,,,33821,bmse010464,1
27,covalent,SING,C20,O30,,,,,33821,bmse010464,1
28,covalent,DOUB,C21,O26,,,,,33821,bmse010464,1
29,covalent,SING,C21,O31,,,,,33821,bmse010464,1
30,covalent,SING,C22,C23,,,,,33821,bmse010464,1
31,covalent,SING,C23,O27,,,,,33821,bmse010464,1
32,covalent,DOUB,C24,O28,,,,,33821,bmse010464,1
33,covalent,SING,C24,O32,,,,,33821,bmse010464,1
34,covalent,SING,C1,H35,,,,,33821,bmse010464,1
35,covalent,SING,C1,H34,,,,,33821,bmse010464,1
36,covalent,SING,C1,H33,,,,,33821,bmse010464,1
37,covalent,SING,C2,H36,,,,,33821,bmse010464,1
38,covalent,SING,C2,H38,,,,,33821,bmse010464,1
39,covalent,SING,C2,H37,,,,,33821,bmse010464,1
40,covalent,SING,C3,H41,,,,,33821,bmse010464,1
41,covalent,SING,C3,H40,,,,,33821,bmse010464,1
42,covalent,SING,C3,H39,,,,,33821,bmse010464,1
43,covalent,SING,C4,H42,,,,,33821,bmse010464,1
44,covalent,SING,C4,H43,,,,,33821,bmse010464,1
45,covalent,SING,C4,H44,,,,,33821,bmse010464,1
46,covalent,SING,C5,H45,,,,,33821,bmse010464,1
47,covalent,SING,C5,H46,,,,,33821,bmse010464,1
48,covalent,SING,C6,H47,,,,,33821,bmse010464,1
49,covalent,SING,C6,H48,,,,,33821,bmse010464,1
50,covalent,SING,C7,H49,,,,,33821,bmse010464,1
51,covalent,SING,C8,H50,,,,,33821,bmse010464,1
52,covalent,SING,C9,H51,,,,,33821,bmse010464,1
53,covalent,SING,C10,H52,,,,,33821,bmse010464,1
54,covalent,SING,C11,H53,,,,,33821,bmse010464,1
55,covalent,SING,C12,H54,,,,,33821,bmse010464,1
56,covalent,SING,C13,H55,,,,,33821,bmse010464,1
57,covalent,SING,C14,H56,,,,,33821,bmse010464,1
58,covalent,SING,O25,H57,,,,,33821,bmse010464,1
59,covalent,SING,O27,H58,,,,,33821,bmse010464,1
1,covalent,SING,C1,O24,,,,,33841,bmse010465,1
2,covalent,SING,C2,O25,,,,,33841,bmse010465,1
3,covalent,DOUB,C3,C4,,,,,33841,bmse010465,1
4,covalent,SING,C3,C7,,,,,33841,bmse010465,1
5,covalent,SING,C4,C12,,,,,33841,bmse010465,1
6,covalent,DOUB,C5,C6,,,,,33841,bmse010465,1
7,covalent,SING,C5,C13,,,,,33841,bmse010465,1
8,covalent,SING,C6,C16,,,,,33841,bmse010465,1
9,covalent,DOUB,C7,O21,,,,,33841,bmse010465,1
10,covalent,DOUB,C8,C12,,,,,33841,bmse010465,1
11,covalent,SING,C8,C14,,,,,33841,bmse010465,1
12,covalent,SING,C9,C12,,,,,33841,bmse010465,1
13,covalent,DOUB,C9,C18,,,,,33841,bmse010465,1
14,covalent,DOUB,C10,C13,,,,,33841,bmse010465,1
15,covalent,SING,C10,C17,,,,,33841,bmse010465,1
16,covalent,SING,C11,C15,,,,,33841,bmse010465,1
17,covalent,SING,C11,O22,,,,,33841,bmse010465,1
18,covalent,SING,C13,C19,,,,,33841,bmse010465,1
19,covalent,SING,C14,C15,,,,,33841,bmse010465,1
20,covalent,DOUB,C14,C20,,,,,33841,bmse010465,1
21,covalent,SING,C15,C19,,,,,33841,bmse010465,1
22,covalent,DOUB,C16,C17,,,,,33841,bmse010465,1
23,covalent,SING,C16,O23,,,,,33841,bmse010465,1
24,covalent,SING,C17,O24,,,,,33841,bmse010465,1
25,covalent,SING,C18,C20,,,,,33841,bmse010465,1
26,covalent,SING,C18,O25,,,,,33841,bmse010465,1
27,covalent,SING,C19,O26,,,,,33841,bmse010465,1
28,covalent,SING,C20,O26,,,,,33841,bmse010465,1
29,covalent,SING,C1,H27,,,,,33841,bmse010465,1
30,covalent,SING,C1,H28,,,,,33841,bmse010465,1
31,covalent,SING,C1,H29,,,,,33841,bmse010465,1
32,covalent,SING,C2,H30,,,,,33841,bmse010465,1
33,covalent,SING,C2,H31,,,,,33841,bmse010465,1
34,covalent,SING,C2,H32,,,,,33841,bmse010465,1
35,covalent,SING,C3,H33,,,,,33841,bmse010465,1
36,covalent,SING,C4,H34,,,,,33841,bmse010465,1
37,covalent,SING,C5,H35,,,,,33841,bmse010465,1
38,covalent,SING,C6,H36,,,,,33841,bmse010465,1
39,covalent,SING,C7,H37,,,,,33841,bmse010465,1
40,covalent,SING,C8,H38,,,,,33841,bmse010465,1
41,covalent,SING,C9,H39,,,,,33841,bmse010465,1
42,covalent,SING,C10,H40,,,,,33841,bmse010465,1
43,covalent,SING,C11,H41,,,,,33841,bmse010465,1
44,covalent,SING,C11,H42,,,,,33841,bmse010465,1
45,covalent,SING,C15,H43,,,,,33841,bmse010465,1
46,covalent,SING,C19,H44,,,,,33841,bmse010465,1
47,covalent,SING,O22,H45,,,,,33841,bmse010465,1
48,covalent,SING,O23,H46,,,,,33841,bmse010465,1
1,covalent,SING,C1,C28,,,,,33855,bmse010466,1
2,covalent,SING,C2,C29,,,,,33855,bmse010466,1
3,covalent,SING,C3,C30,,,,,33855,bmse010466,1
4,covalent,SING,C4,C31,,,,,33855,bmse010466,1
5,covalent,SING,C5,C32,,,,,33855,bmse010466,1
6,covalent,SING,C6,O55,,,,,33855,bmse010466,1
7,covalent,SING,C7,O56,,,,,33855,bmse010466,1
8,covalent,SING,C8,O57,,,,,33855,bmse010466,1
9,covalent,SING,C9,O58,,,,,33855,bmse010466,1
10,covalent,DOUB,C10,C11,,,,,33855,bmse010466,1
11,covalent,SING,C10,C19,,,,,33855,bmse010466,1
12,covalent,SING,C11,C33,,,,,33855,bmse010466,1
13,covalent,DOUB,C12,C15,,,,,33855,bmse010466,1
14,covalent,SING,C12,C33,,,,,33855,bmse010466,1
15,covalent,DOUB,C13,C17,,,,,33855,bmse010466,1
16,covalent,SING,C13,C35,,,,,33855,bmse010466,1
17,covalent,DOUB,C14,C16,,,,,33855,bmse010466,1
18,covalent,SING,C14,C36,,,,,33855,bmse010466,1
19,covalent,SING,C15,C40,,,,,33855,bmse010466,1
20,covalent,SING,C16,C39,,,,,33855,bmse010466,1
21,covalent,SING,C17,C41,,,,,33855,bmse010466,1
22,covalent,DOUB,C18,C20,,,,,33855,bmse010466,1
23,covalent,SING,C18,C34,,,,,33855,bmse010466,1
24,covalent,SING,C19,O59,,,,,33855,bmse010466,1
25,covalent,SING,C20,O60,,,,,33855,bmse010466,1
26,covalent,DOUB,C21,C34,,,,,33855,bmse010466,1
27,covalent,SING,C21,C37,,,,,33855,bmse010466,1
28,covalent,DOUB,C22,C33,,,,,33855,bmse010466,1
29,covalent,SING,C22,C42,,,,,33855,bmse010466,1
30,covalent,SING,C23,C34,,,,,33855,bmse010466,1
31,covalent,DOUB,C23,C45,,,,,33855,bmse010466,1
32,covalent,DOUB,C24,C35,,,,,33855,bmse010466,1
33,covalent,SING,C24,C44,,,,,33855,bmse010466,1
34,covalent,DOUB,C25,C36,,,,,33855,bmse010466,1
35,covalent,SING,C25,C43,,,,,33855,bmse010466,1
36,covalent,SING,C38,C26,,,,,33855,bmse010466,1
37,covalent,SING,C26,O61,,,,,33855,bmse010466,1
38,covalent,SING,C27,C46,,,,,33855,bmse010466,1
39,covalent,SING,C27,O62,,,,,33855,bmse010466,1
40,covalent,DOUB,C28,O50,,,,,33855,bmse010466,1
41,covalent,SING,C28,O59,,,,,33855,bmse010466,1
42,covalent,DOUB,C29,O51,,,,,33855,bmse010466,1
43,covalent,SING,C29,O60,,,,,33855,bmse010466,1
44,covalent,DOUB,C30,O52,,,,,33855,bmse010466,1
45,covalent,SING,C30,O61,,,,,33855,bmse010466,1
46,covalent,DOUB,C31,O53,,,,,33855,bmse010466,1
47,covalent,SING,C31,O62,,,,,33855,bmse010466,1
48,covalent,DOUB,C32,O54,,,,,33855,bmse010466,1
49,covalent,SING,C32,O63,,,,,33855,bmse010466,1
50,covalent,SING,C47,C35,,,,,33855,bmse010466,1
51,covalent,SING,C36,C48,,,,,33855,bmse010466,1
52,covalent,SING,C37,C38,,,,,33855,bmse010466,1
53,covalent,DOUB,C37,C49,,,,,33855,bmse010466,1
54,covalent,SING,C38,C47,,,,,33855,bmse010466,1
55,covalent,DOUB,C39,C43,,,,,33855,bmse010466,1
56,covalent,SING,C39,O63,,,,,33855,bmse010466,1
57,covalent,DOUB,C40,C42,,,,,33855,bmse010466,1
58,covalent,SING,C40,O64,,,,,33855,bmse010466,1
59,covalent,DOUB,C41,C44,,,,,33855,bmse010466,1
60,covalent,SING,C41,O65,,,,,33855,bmse010466,1
61,covalent,SING,C42,O55,,,,,33855,bmse010466,1
62,covalent,SING,C43,O56,,,,,33855,bmse010466,1
63,covalent,SING,C44,O57,,,,,33855,bmse010466,1
64,covalent,SING,C45,C49,,,,,33855,bmse010466,1
65,covalent,SING,C45,O58,,,,,33855,bmse010466,1
66,covalent,SING,C46,C48,,,,,33855,bmse010466,1
67,covalent,SING,C46,O64,,,,,33855,bmse010466,1
68,covalent,SING,C47,O66,,,,,33855,bmse010466,1
69,covalent,SING,C48,O65,,,,,33855,bmse010466,1
70,covalent,SING,C49,O66,,,,,33855,bmse010466,1
71,covalent,SING,C1,H67,,,,,33855,bmse010466,1
72,covalent,SING,C1,H68,,,,,33855,bmse010466,1
73,covalent,SING,C1,H69,,,,,33855,bmse010466,1
74,covalent,SING,C2,H70,,,,,33855,bmse010466,1
75,covalent,SING,C2,H71,,,,,33855,bmse010466,1
76,covalent,SING,C2,H72,,,,,33855,bmse010466,1
77,covalent,SING,C3,H73,,,,,33855,bmse010466,1
78,covalent,SING,C3,H74,,,,,33855,bmse010466,1
79,covalent,SING,C3,H75,,,,,33855,bmse010466,1
80,covalent,SING,C4,H76,,,,,33855,bmse010466,1
81,covalent,SING,C4,H77,,,,,33855,bmse010466,1
82,covalent,SING,C4,H78,,,,,33855,bmse010466,1
83,covalent,SING,C5,H79,,,,,33855,bmse010466,1
84,covalent,SING,C5,H80,,,,,33855,bmse010466,1
85,covalent,SING,C5,H81,,,,,33855,bmse010466,1
86,covalent,SING,C6,H82,,,,,33855,bmse010466,1
87,covalent,SING,C6,H83,,,,,33855,bmse010466,1
88,covalent,SING,C6,H84,,,,,33855,bmse010466,1
89,covalent,SING,C7,H85,,,,,33855,bmse010466,1
90,covalent,SING,C7,H86,,,,,33855,bmse010466,1
91,covalent,SING,C7,H87,,,,,33855,bmse010466,1
92,covalent,SING,C8,H88,,,,,33855,bmse010466,1
93,covalent,SING,C8,H89,,,,,33855,bmse010466,1
94,covalent,SING,C8,H90,,,,,33855,bmse010466,1
95,covalent,SING,C9,H91,,,,,33855,bmse010466,1
96,covalent,SING,C9,H92,,,,,33855,bmse010466,1
97,covalent,SING,C9,H93,,,,,33855,bmse010466,1
98,covalent,SING,C10,H94,,,,,33855,bmse010466,1
99,covalent,SING,C11,H95,,,,,33855,bmse010466,1
100,covalent,SING,C12,H96,,,,,33855,bmse010466,1
101,covalent,SING,C13,H97,,,,,33855,bmse010466,1
102,covalent,SING,C14,H98,,,,,33855,bmse010466,1
103,covalent,SING,C15,H99,,,,,33855,bmse010466,1
104,covalent,SING,C16,H100,,,,,33855,bmse010466,1
105,covalent,SING,C17,H101,,,,,33855,bmse010466,1
106,covalent,SING,C18,H102,,,,,33855,bmse010466,1
107,covalent,SING,C19,H103,,,,,33855,bmse010466,1
108,covalent,SING,C19,H104,,,,,33855,bmse010466,1
109,covalent,SING,C20,H105,,,,,33855,bmse010466,1
110,covalent,SING,C21,H106,,,,,33855,bmse010466,1
111,covalent,SING,C22,H107,,,,,33855,bmse010466,1
112,covalent,SING,C23,H108,,,,,33855,bmse010466,1
113,covalent,SING,C24,H109,,,,,33855,bmse010466,1
114,covalent,SING,C25,H110,,,,,33855,bmse010466,1
115,covalent,SING,C26,H111,,,,,33855,bmse010466,1
116,covalent,SING,C26,H112,,,,,33855,bmse010466,1
117,covalent,SING,C27,H113,,,,,33855,bmse010466,1
118,covalent,SING,C27,H114,,,,,33855,bmse010466,1
119,covalent,SING,C38,H115,,,,,33855,bmse010466,1
120,covalent,SING,C46,H116,,,,,33855,bmse010466,1
121,covalent,SING,C47,H117,,,,,33855,bmse010466,1
122,covalent,SING,C48,H118,,,,,33855,bmse010466,1
1,covalent,SING,C1,C28,,,,,33875,bmse010467,1
2,covalent,SING,C2,C29,,,,,33875,bmse010467,1
3,covalent,SING,C3,C30,,,,,33875,bmse010467,1
4,covalent,SING,C4,C31,,,,,33875,bmse010467,1
5,covalent,SING,C5,O53,,,,,33875,bmse010467,1
6,covalent,SING,C6,O54,,,,,33875,bmse010467,1
7,covalent,SING,C7,O55,,,,,33875,bmse010467,1
8,covalent,SING,C8,O56,,,,,33875,bmse010467,1
9,covalent,SING,C9,O57,,,,,33875,bmse010467,1
10,covalent,DOUB,C10,C11,,,,,33875,bmse010467,1
11,covalent,SING,C10,C19,,,,,33875,bmse010467,1
12,covalent,SING,C11,C32,,,,,33875,bmse010467,1
13,covalent,DOUB,C12,C15,,,,,33875,bmse010467,1
14,covalent,SING,C12,C32,,,,,33875,bmse010467,1
15,covalent,DOUB,C13,C16,,,,,33875,bmse010467,1
16,covalent,SING,C13,C35,,,,,33875,bmse010467,1
17,covalent,DOUB,C14,C17,,,,,33875,bmse010467,1
18,covalent,SING,C14,C34,,,,,33875,bmse010467,1
19,covalent,SING,C15,C39,,,,,33875,bmse010467,1
20,covalent,SING,C16,C38,,,,,33875,bmse010467,1
21,covalent,SING,C17,C40,,,,,33875,bmse010467,1
22,covalent,DOUB,C18,C20,,,,,33875,bmse010467,1
23,covalent,SING,C18,C33,,,,,33875,bmse010467,1
24,covalent,SING,C19,O58,,,,,33875,bmse010467,1
25,covalent,SING,C20,O59,,,,,33875,bmse010467,1
26,covalent,DOUB,C21,C33,,,,,33875,bmse010467,1
27,covalent,SING,C21,C36,,,,,33875,bmse010467,1
28,covalent,DOUB,C22,C32,,,,,33875,bmse010467,1
29,covalent,SING,C22,C41,,,,,33875,bmse010467,1
30,covalent,SING,C23,C33,,,,,33875,bmse010467,1
31,covalent,DOUB,C23,C44,,,,,33875,bmse010467,1
32,covalent,DOUB,C24,C34,,,,,33875,bmse010467,1
33,covalent,SING,C24,C43,,,,,33875,bmse010467,1
34,covalent,DOUB,C25,C35,,,,,33875,bmse010467,1
35,covalent,SING,C25,C42,,,,,33875,bmse010467,1
36,covalent,SING,C37,C26,,,,,33875,bmse010467,1
37,covalent,SING,C26,O60,,,,,33875,bmse010467,1
38,covalent,SING,C27,C45,,,,,33875,bmse010467,1
39,covalent,SING,C27,O61,,,,,33875,bmse010467,1
40,covalent,DOUB,C28,O49,,,,,33875,bmse010467,1
41,covalent,SING,C28,O58,,,,,33875,bmse010467,1
42,covalent,DOUB,C29,O50,,,,,33875,bmse010467,1
43,covalent,SING,C29,O59,,,,,33875,bmse010467,1
44,covalent,DOUB,C30,O51,,,,,33875,bmse010467,1
45,covalent,SING,C30,O60,,,,,33875,bmse010467,1
46,covalent,DOUB,C31,O52,,,,,33875,bmse010467,1
47,covalent,SING,C31,O61,,,,,33875,bmse010467,1
48,covalent,SING,C46,C34,,,,,33875,bmse010467,1
49,covalent,SING,C35,C47,,,,,33875,bmse010467,1
50,covalent,SING,C36,C37,,,,,33875,bmse010467,1
51,covalent,DOUB,C36,C48,,,,,33875,bmse010467,1
52,covalent,SING,C37,C46,,,,,33875,bmse010467,1
53,covalent,DOUB,C38,C42,,,,,33875,bmse010467,1
54,covalent,SING,C38,O53,,,,,33875,bmse010467,1
55,covalent,DOUB,C39,C41,,,,,33875,bmse010467,1
56,covalent,SING,C39,O62,,,,,33875,bmse010467,1
57,covalent,DOUB,C40,C43,,,,,33875,bmse010467,1
58,covalent,SING,C40,O63,,,,,33875,bmse010467,1
59,covalent,SING,C41,O54,,,,,33875,bmse010467,1
60,covalent,SING,C42,O55,,,,,33875,bmse010467,1
61,covalent,SING,C43,O56,,,,,33875,bmse010467,1
62,covalent,SING,C44,C48,,,,,33875,bmse010467,1
63,covalent,SING,C44,O57,,,,,33875,bmse010467,1
64,covalent,SING,C45,C47,,,,,33875,bmse010467,1
65,covalent,SING,C45,O62,,,,,33875,bmse010467,1
66,covalent,SING,C46,O64,,,,,33875,bmse010467,1
67,covalent,SING,C47,O63,,,,,33875,bmse010467,1
68,covalent,SING,C48,O64,,,,,33875,bmse010467,1
69,covalent,SING,C1,H65,,,,,33875,bmse010467,1
70,covalent,SING,C1,H66,,,,,33875,bmse010467,1
71,covalent,SING,C1,H67,,,,,33875,bmse010467,1
72,covalent,SING,C2,H68,,,,,33875,bmse010467,1
73,covalent,SING,C2,H69,,,,,33875,bmse010467,1
74,covalent,SING,C2,H70,,,,,33875,bmse010467,1
75,covalent,SING,C3,H71,,,,,33875,bmse010467,1
76,covalent,SING,C3,H72,,,,,33875,bmse010467,1
77,covalent,SING,C3,H73,,,,,33875,bmse010467,1
78,covalent,SING,C4,H74,,,,,33875,bmse010467,1
79,covalent,SING,C4,H75,,,,,33875,bmse010467,1
80,covalent,SING,C4,H76,,,,,33875,bmse010467,1
81,covalent,SING,C5,H77,,,,,33875,bmse010467,1
82,covalent,SING,C5,H78,,,,,33875,bmse010467,1
83,covalent,SING,C5,H79,,,,,33875,bmse010467,1
84,covalent,SING,C6,H80,,,,,33875,bmse010467,1
85,covalent,SING,C6,H81,,,,,33875,bmse010467,1
86,covalent,SING,C6,H82,,,,,33875,bmse010467,1
87,covalent,SING,C7,H83,,,,,33875,bmse010467,1
88,covalent,SING,C7,H84,,,,,33875,bmse010467,1
89,covalent,SING,C7,H85,,,,,33875,bmse010467,1
90,covalent,SING,C8,H86,,,,,33875,bmse010467,1
91,covalent,SING,C8,H87,,,,,33875,bmse010467,1
92,covalent,SING,C8,H88,,,,,33875,bmse010467,1
93,covalent,SING,C9,H89,,,,,33875,bmse010467,1
94,covalent,SING,C9,H90,,,,,33875,bmse010467,1
95,covalent,SING,C9,H91,,,,,33875,bmse010467,1
96,covalent,SING,C10,H92,,,,,33875,bmse010467,1
97,covalent,SING,C11,H93,,,,,33875,bmse010467,1
98,covalent,SING,C12,H94,,,,,33875,bmse010467,1
99,covalent,SING,C13,H95,,,,,33875,bmse010467,1
100,covalent,SING,C14,H96,,,,,33875,bmse010467,1
101,covalent,SING,C15,H97,,,,,33875,bmse010467,1
102,covalent,SING,C16,H98,,,,,33875,bmse010467,1
103,covalent,SING,C17,H99,,,,,33875,bmse010467,1
104,covalent,SING,C18,H100,,,,,33875,bmse010467,1
105,covalent,SING,C19,H101,,,,,33875,bmse010467,1
106,covalent,SING,C19,H102,,,,,33875,bmse010467,1
107,covalent,SING,C20,H103,,,,,33875,bmse010467,1
108,covalent,SING,C21,H104,,,,,33875,bmse010467,1
109,covalent,SING,C22,H105,,,,,33875,bmse010467,1
110,covalent,SING,C23,H106,,,,,33875,bmse010467,1
111,covalent,SING,C24,H107,,,,,33875,bmse010467,1
112,covalent,SING,C25,H108,,,,,33875,bmse010467,1
113,covalent,SING,C26,H109,,,,,33875,bmse010467,1
114,covalent,SING,C26,H110,,,,,33875,bmse010467,1
115,covalent,SING,C27,H111,,,,,33875,bmse010467,1
116,covalent,SING,C27,H112,,,,,33875,bmse010467,1
117,covalent,SING,C37,H113,,,,,33875,bmse010467,1
118,covalent,SING,C45,H114,,,,,33875,bmse010467,1
119,covalent,SING,C46,H115,,,,,33875,bmse010467,1
120,covalent,SING,C47,H116,,,,,33875,bmse010467,1
1,covalent,SING,C41,C1,,,,,33895,bmse010468,1
2,covalent,SING,C42,C2,,,,,33895,bmse010468,1
3,covalent,SING,C3,O47,,,,,33895,bmse010468,1
4,covalent,SING,C4,O48,,,,,33895,bmse010468,1
5,covalent,SING,C5,O49,,,,,33895,bmse010468,1
6,covalent,SING,C6,O50,,,,,33895,bmse010468,1
7,covalent,DOUB,C7,C8,,,,,33895,bmse010468,1
8,covalent,SING,C7,C17,,,,,33895,bmse010468,1
9,covalent,SING,C8,C25,,,,,33895,bmse010468,1
10,covalent,DOUB,C9,C15,,,,,33895,bmse010468,1
11,covalent,SING,C9,C25,,,,,33895,bmse010468,1
12,covalent,DOUB,C10,C13,,,,,33895,bmse010468,1
13,covalent,SING,C10,C26,,,,,33895,bmse010468,1
14,covalent,DOUB,C11,C14,,,,,33895,bmse010468,1
15,covalent,SING,C11,C27,,,,,33895,bmse010468,1
16,covalent,DOUB,C12,C16,,,,,33895,bmse010468,1
17,covalent,SING,C12,C28,,,,,33895,bmse010468,1
18,covalent,SING,C13,C29,,,,,33895,bmse010468,1
19,covalent,SING,C14,C30,,,,,33895,bmse010468,1
20,covalent,SING,C15,C31,,,,,33895,bmse010468,1
21,covalent,SING,C16,C32,,,,,33895,bmse010468,1
22,covalent,SING,C17,O43,,,,,33895,bmse010468,1
23,covalent,DOUB,C18,C25,,,,,33895,bmse010468,1
24,covalent,SING,C18,C35,,,,,33895,bmse010468,1
25,covalent,DOUB,C19,C26,,,,,33895,bmse010468,1
26,covalent,SING,C19,C33,,,,,33895,bmse010468,1
27,covalent,DOUB,C20,C27,,,,,33895,bmse010468,1
28,covalent,SING,C20,C34,,,,,33895,bmse010468,1
29,covalent,DOUB,C21,C28,,,,,33895,bmse010468,1
30,covalent,SING,C21,C36,,,,,33895,bmse010468,1
31,covalent,SING,C22,C37,,,,,33895,bmse010468,1
32,covalent,SING,C22,O44,,,,,33895,bmse010468,1
33,covalent,SING,C23,C41,,,,,33895,bmse010468,1
34,covalent,SING,C23,O52,,,,,33895,bmse010468,1
35,covalent,SING,C24,C42,,,,,33895,bmse010468,1
36,covalent,SING,C24,O51,,,,,33895,bmse010468,1
37,covalent,SING,C26,C38,,,,,33895,bmse010468,1
38,covalent,SING,C39,C27,,,,,33895,bmse010468,1
39,covalent,SING,C40,C28,,,,,33895,bmse010468,1
40,covalent,DOUB,C29,C33,,,,,33895,bmse010468,1
41,covalent,SING,C29,O45,,,,,33895,bmse010468,1
42,covalent,DOUB,C30,C34,,,,,33895,bmse010468,1
43,covalent,SING,C30,O46,,,,,33895,bmse010468,1
44,covalent,DOUB,C31,C35,,,,,33895,bmse010468,1
45,covalent,SING,C31,O53,,,,,33895,bmse010468,1
46,covalent,DOUB,C32,C36,,,,,33895,bmse010468,1
47,covalent,SING,C32,O54,,,,,33895,bmse010468,1
48,covalent,SING,C33,O47,,,,,33895,bmse010468,1
49,covalent,SING,C34,O48,,,,,33895,bmse010468,1
50,covalent,SING,C35,O49,,,,,33895,bmse010468,1
51,covalent,SING,C36,O50,,,,,33895,bmse010468,1
52,covalent,SING,C37,C38,,,,,33895,bmse010468,1
53,covalent,SING,C37,O53,,,,,33895,bmse010468,1
54,covalent,SING,C38,O54,,,,,33895,bmse010468,1
55,covalent,SING,C39,C41,,,,,33895,bmse010468,1
56,covalent,SING,C39,O51,,,,,33895,bmse010468,1
57,covalent,SING,C40,C42,,,,,33895,bmse010468,1
58,covalent,SING,C40,O52,,,,,33895,bmse010468,1
59,covalent,SING,C41,C42,,,,,33895,bmse010468,1
60,covalent,SING,C1,H55,,,,,33895,bmse010468,1
61,covalent,SING,C1,H56,,,,,33895,bmse010468,1
62,covalent,SING,C1,H57,,,,,33895,bmse010468,1
63,covalent,SING,C2,H58,,,,,33895,bmse010468,1
64,covalent,SING,C2,H59,,,,,33895,bmse010468,1
65,covalent,SING,C2,H60,,,,,33895,bmse010468,1
66,covalent,SING,C3,H61,,,,,33895,bmse010468,1
67,covalent,SING,C3,H62,,,,,33895,bmse010468,1
68,covalent,SING,C3,H63,,,,,33895,bmse010468,1
69,covalent,SING,C4,H64,,,,,33895,bmse010468,1
70,covalent,SING,C4,H65,,,,,33895,bmse010468,1
71,covalent,SING,C4,H66,,,,,33895,bmse010468,1
72,covalent,SING,C5,H67,,,,,33895,bmse010468,1
73,covalent,SING,C5,H68,,,,,33895,bmse010468,1
74,covalent,SING,C5,H69,,,,,33895,bmse010468,1
75,covalent,SING,C6,H70,,,,,33895,bmse010468,1
76,covalent,SING,C6,H71,,,,,33895,bmse010468,1
77,covalent,SING,C6,H72,,,,,33895,bmse010468,1
78,covalent,SING,C7,H73,,,,,33895,bmse010468,1
79,covalent,SING,C8,H74,,,,,33895,bmse010468,1
80,covalent,SING,C9,H75,,,,,33895,bmse010468,1
81,covalent,SING,C10,H76,,,,,33895,bmse010468,1
82,covalent,SING,C11,H77,,,,,33895,bmse010468,1
83,covalent,SING,C12,H78,,,,,33895,bmse010468,1
84,covalent,SING,C13,H79,,,,,33895,bmse010468,1
85,covalent,SING,C14,H80,,,,,33895,bmse010468,1
86,covalent,SING,C15,H81,,,,,33895,bmse010468,1
87,covalent,SING,C16,H82,,,,,33895,bmse010468,1
88,covalent,SING,C17,H83,,,,,33895,bmse010468,1
89,covalent,SING,C17,H84,,,,,33895,bmse010468,1
90,covalent,SING,C18,H85,,,,,33895,bmse010468,1
91,covalent,SING,C19,H86,,,,,33895,bmse010468,1
92,covalent,SING,C20,H87,,,,,33895,bmse010468,1
93,covalent,SING,C21,H88,,,,,33895,bmse010468,1
94,covalent,SING,C22,H89,,,,,33895,bmse010468,1
95,covalent,SING,C22,H90,,,,,33895,bmse010468,1
96,covalent,SING,C23,H91,,,,,33895,bmse010468,1
97,covalent,SING,C23,H92,,,,,33895,bmse010468,1
98,covalent,SING,C24,H93,,,,,33895,bmse010468,1
99,covalent,SING,C24,H94,,,,,33895,bmse010468,1
100,covalent,SING,C37,H95,,,,,33895,bmse010468,1
101,covalent,SING,C38,H96,,,,,33895,bmse010468,1
102,covalent,SING,C39,H97,,,,,33895,bmse010468,1
103,covalent,SING,C40,H98,,,,,33895,bmse010468,1
104,covalent,SING,O43,H99,,,,,33895,bmse010468,1
105,covalent,SING,O44,H100,,,,,33895,bmse010468,1
106,covalent,SING,O45,H101,,,,,33895,bmse010468,1
107,covalent,SING,O46,H102,,,,,33895,bmse010468,1
1,covalent,SING,C1,O24,,,,,33909,bmse010469,1
2,covalent,SING,C2,O25,,,,,33909,bmse010469,1
3,covalent,DOUB,C3,C5,,,,,33909,bmse010469,1
4,covalent,SING,C3,C10,,,,,33909,bmse010469,1
5,covalent,DOUB,C4,C6,,,,,33909,bmse010469,1
6,covalent,SING,C4,C11,,,,,33909,bmse010469,1
7,covalent,SING,C5,C13,,,,,33909,bmse010469,1
8,covalent,SING,C6,C14,,,,,33909,bmse010469,1
9,covalent,DOUB,C7,C10,,,,,33909,bmse010469,1
10,covalent,SING,C7,C15,,,,,33909,bmse010469,1
11,covalent,DOUB,C8,C11,,,,,33909,bmse010469,1
12,covalent,SING,C8,C16,,,,,33909,bmse010469,1
13,covalent,SING,C9,C12,,,,,33909,bmse010469,1
14,covalent,SING,C9,O26,,,,,33909,bmse010469,1
15,covalent,SING,C10,C18,,,,,33909,bmse010469,1
16,covalent,SING,C11,C19,,,,,33909,bmse010469,1
17,covalent,SING,C12,C17,,,,,33909,bmse010469,1
18,covalent,SING,C12,C18,,,,,33909,bmse010469,1
19,covalent,DOUB,C13,C15,,,,,33909,bmse010469,1
20,covalent,SING,C13,O21,,,,,33909,bmse010469,1
21,covalent,DOUB,C14,C16,,,,,33909,bmse010469,1
22,covalent,SING,C14,O22,,,,,33909,bmse010469,1
23,covalent,SING,C15,O24,,,,,33909,bmse010469,1
24,covalent,SING,C16,O25,,,,,33909,bmse010469,1
25,covalent,SING,C17,C19,,,,,33909,bmse010469,1
26,covalent,SING,C17,C20,,,,,33909,bmse010469,1
27,covalent,SING,C18,O27,,,,,33909,bmse010469,1
28,covalent,SING,C19,O26,,,,,33909,bmse010469,1
29,covalent,DOUB,C20,O23,,,,,33909,bmse010469,1
30,covalent,SING,C20,O27,,,,,33909,bmse010469,1
31,covalent,SING,C1,H29,,,,,33909,bmse010469,1
32,covalent,SING,C1,H30,,,,,33909,bmse010469,1
33,covalent,SING,C1,H28,,,,,33909,bmse010469,1
34,covalent,SING,C2,H32,,,,,33909,bmse010469,1
35,covalent,SING,C2,H31,,,,,33909,bmse010469,1
36,covalent,SING,C2,H33,,,,,33909,bmse010469,1
37,covalent,SING,C3,H34,,,,,33909,bmse010469,1
38,covalent,SING,C4,H35,,,,,33909,bmse010469,1
39,covalent,SING,C5,H36,,,,,33909,bmse010469,1
40,covalent,SING,C6,H37,,,,,33909,bmse010469,1
41,covalent,SING,C7,H38,,,,,33909,bmse010469,1
42,covalent,SING,C8,H39,,,,,33909,bmse010469,1
43,covalent,SING,C9,H40,,,,,33909,bmse010469,1
44,covalent,SING,C9,H41,,,,,33909,bmse010469,1
45,covalent,SING,C12,H42,,,,,33909,bmse010469,1
46,covalent,SING,C17,H43,,,,,33909,bmse010469,1
47,covalent,SING,C18,H44,,,,,33909,bmse010469,1
48,covalent,SING,C19,H45,,,,,33909,bmse010469,1
49,covalent,SING,O21,H46,,,,,33909,bmse010469,1
50,covalent,SING,O22,H47,,,,,33909,bmse010469,1
1,covalent,SING,C1,O24,,,,,33929,bmse010470,1
2,covalent,SING,C2,O25,,,,,33929,bmse010470,1
3,covalent,DOUB,C3,C5,,,,,33929,bmse010470,1
4,covalent,SING,C3,C10,,,,,33929,bmse010470,1
5,covalent,DOUB,C4,C6,,,,,33929,bmse010470,1
6,covalent,SING,C4,C11,,,,,33929,bmse010470,1
7,covalent,SING,C5,C13,,,,,33929,bmse010470,1
8,covalent,SING,C6,C14,,,,,33929,bmse010470,1
9,covalent,DOUB,C7,C10,,,,,33929,bmse010470,1
10,covalent,SING,C7,C15,,,,,33929,bmse010470,1
11,covalent,DOUB,C8,C11,,,,,33929,bmse010470,1
12,covalent,SING,C8,C16,,,,,33929,bmse010470,1
13,covalent,SING,C9,C12,,,,,33929,bmse010470,1
14,covalent,SING,C9,O26,,,,,33929,bmse010470,1
15,covalent,SING,C10,C18,,,,,33929,bmse010470,1
16,covalent,SING,C11,C19,,,,,33929,bmse010470,1
17,covalent,SING,C12,C17,,,,,33929,bmse010470,1
18,covalent,SING,C12,C18,,,,,33929,bmse010470,1
19,covalent,DOUB,C13,C15,,,,,33929,bmse010470,1
20,covalent,SING,C13,O21,,,,,33929,bmse010470,1
21,covalent,DOUB,C14,C16,,,,,33929,bmse010470,1
22,covalent,SING,C14,O22,,,,,33929,bmse010470,1
23,covalent,SING,C15,O24,,,,,33929,bmse010470,1
24,covalent,SING,C16,O25,,,,,33929,bmse010470,1
25,covalent,SING,C17,C19,,,,,33929,bmse010470,1
26,covalent,SING,C17,C20,,,,,33929,bmse010470,1
27,covalent,SING,C18,O27,,,,,33929,bmse010470,1
28,covalent,SING,C19,O26,,,,,33929,bmse010470,1
29,covalent,DOUB,C20,O23,,,,,33929,bmse010470,1
30,covalent,SING,C20,O27,,,,,33929,bmse010470,1
31,covalent,SING,C1,H28,,,,,33929,bmse010470,1
32,covalent,SING,C1,H29,,,,,33929,bmse010470,1
33,covalent,SING,C1,H30,,,,,33929,bmse010470,1
34,covalent,SING,C2,H31,,,,,33929,bmse010470,1
35,covalent,SING,C2,H32,,,,,33929,bmse010470,1
36,covalent,SING,C2,H33,,,,,33929,bmse010470,1
37,covalent,SING,C3,H34,,,,,33929,bmse010470,1
38,covalent,SING,C4,H35,,,,,33929,bmse010470,1
39,covalent,SING,C5,H36,,,,,33929,bmse010470,1
40,covalent,SING,C6,H37,,,,,33929,bmse010470,1
41,covalent,SING,C7,H38,,,,,33929,bmse010470,1
42,covalent,SING,C8,H39,,,,,33929,bmse010470,1
43,covalent,SING,C9,H40,,,,,33929,bmse010470,1
44,covalent,SING,C9,H41,,,,,33929,bmse010470,1
45,covalent,SING,C12,H42,,,,,33929,bmse010470,1
46,covalent,SING,C17,H43,,,,,33929,bmse010470,1
47,covalent,SING,C18,H44,,,,,33929,bmse010470,1
48,covalent,SING,C19,H45,,,,,33929,bmse010470,1
49,covalent,SING,O21,H46,,,,,33929,bmse010470,1
50,covalent,SING,O22,H47,,,,,33929,bmse010470,1
1,covalent,SING,C1,O24,,,,,33946,bmse010471,1
2,covalent,SING,C2,O25,,,,,33946,bmse010471,1
3,covalent,DOUB,C3,C5,,,,,33946,bmse010471,1
4,covalent,SING,C3,C10,,,,,33946,bmse010471,1
5,covalent,DOUB,C4,C6,,,,,33946,bmse010471,1
6,covalent,SING,C4,C11,,,,,33946,bmse010471,1
7,covalent,SING,C5,C13,,,,,33946,bmse010471,1
8,covalent,SING,C6,C14,,,,,33946,bmse010471,1
9,covalent,DOUB,C7,C10,,,,,33946,bmse010471,1
10,covalent,SING,C7,C15,,,,,33946,bmse010471,1
11,covalent,DOUB,C8,C11,,,,,33946,bmse010471,1
12,covalent,SING,C8,C16,,,,,33946,bmse010471,1
13,covalent,SING,C9,C12,,,,,33946,bmse010471,1
14,covalent,SING,C9,O26,,,,,33946,bmse010471,1
15,covalent,SING,C10,C18,,,,,33946,bmse010471,1
16,covalent,SING,C11,C19,,,,,33946,bmse010471,1
17,covalent,SING,C12,C17,,,,,33946,bmse010471,1
18,covalent,SING,C12,C18,,,,,33946,bmse010471,1
19,covalent,DOUB,C13,C15,,,,,33946,bmse010471,1
20,covalent,SING,C13,O21,,,,,33946,bmse010471,1
21,covalent,DOUB,C14,C16,,,,,33946,bmse010471,1
22,covalent,SING,C14,O22,,,,,33946,bmse010471,1
23,covalent,SING,C15,O24,,,,,33946,bmse010471,1
24,covalent,SING,C16,O25,,,,,33946,bmse010471,1
25,covalent,SING,C17,C19,,,,,33946,bmse010471,1
26,covalent,SING,C17,C20,,,,,33946,bmse010471,1
27,covalent,SING,C18,O27,,,,,33946,bmse010471,1
28,covalent,SING,C19,O26,,,,,33946,bmse010471,1
29,covalent,DOUB,C20,O23,,,,,33946,bmse010471,1
30,covalent,SING,C20,O27,,,,,33946,bmse010471,1
31,covalent,SING,C1,H29,,,,,33946,bmse010471,1
32,covalent,SING,C1,H30,,,,,33946,bmse010471,1
33,covalent,SING,C1,H28,,,,,33946,bmse010471,1
34,covalent,SING,C2,H32,,,,,33946,bmse010471,1
35,covalent,SING,C2,H31,,,,,33946,bmse010471,1
36,covalent,SING,C2,H33,,,,,33946,bmse010471,1
37,covalent,SING,C3,H34,,,,,33946,bmse010471,1
38,covalent,SING,C4,H35,,,,,33946,bmse010471,1
39,covalent,SING,C5,H36,,,,,33946,bmse010471,1
40,covalent,SING,C6,H37,,,,,33946,bmse010471,1
41,covalent,SING,C7,H38,,,,,33946,bmse010471,1
42,covalent,SING,C8,H39,,,,,33946,bmse010471,1
43,covalent,SING,C9,H40,,,,,33946,bmse010471,1
44,covalent,SING,C9,H41,,,,,33946,bmse010471,1
45,covalent,SING,C12,H42,,,,,33946,bmse010471,1
46,covalent,SING,C17,H43,,,,,33946,bmse010471,1
47,covalent,SING,C18,H44,,,,,33946,bmse010471,1
48,covalent,SING,C19,H45,,,,,33946,bmse010471,1
49,covalent,SING,O21,H46,,,,,33946,bmse010471,1
50,covalent,SING,O22,H47,,,,,33946,bmse010471,1
1,covalent,SING,C1,C12,,,,,33966,bmse010472,1
2,covalent,SING,C2,C13,,,,,33966,bmse010472,1
3,covalent,SING,C3,O28,,,,,33966,bmse010472,1
4,covalent,SING,C4,O29,,,,,33966,bmse010472,1
5,covalent,DOUB,C5,C7,,,,,33966,bmse010472,1
6,covalent,SING,C5,C14,,,,,33966,bmse010472,1
7,covalent,DOUB,C6,C8,,,,,33966,bmse010472,1
8,covalent,SING,C6,C15,,,,,33966,bmse010472,1
9,covalent,SING,C7,C17,,,,,33966,bmse010472,1
10,covalent,SING,C8,C18,,,,,33966,bmse010472,1
11,covalent,DOUB,C9,C14,,,,,33966,bmse010472,1
12,covalent,SING,C9,C19,,,,,33966,bmse010472,1
13,covalent,DOUB,C10,C15,,,,,33966,bmse010472,1
14,covalent,SING,C10,C20,,,,,33966,bmse010472,1
15,covalent,SING,C11,C16,,,,,33966,bmse010472,1
16,covalent,SING,C11,O30,,,,,33966,bmse010472,1
17,covalent,DOUB,C12,O25,,,,,33966,bmse010472,1
18,covalent,SING,C12,O31,,,,,33966,bmse010472,1
19,covalent,DOUB,C13,O26,,,,,33966,bmse010472,1
20,covalent,SING,C13,O32,,,,,33966,bmse010472,1
21,covalent,SING,C14,C22,,,,,33966,bmse010472,1
22,covalent,SING,C15,C23,,,,,33966,bmse010472,1
23,covalent,SING,C16,C21,,,,,33966,bmse010472,1
24,covalent,SING,C16,C22,,,,,33966,bmse010472,1
25,covalent,DOUB,C17,C19,,,,,33966,bmse010472,1
26,covalent,SING,C17,O31,,,,,33966,bmse010472,1
27,covalent,DOUB,C18,C20,,,,,33966,bmse010472,1
28,covalent,SING,C18,O32,,,,,33966,bmse010472,1
29,covalent,SING,C19,O28,,,,,33966,bmse010472,1
30,covalent,SING,C20,O29,,,,,33966,bmse010472,1
31,covalent,SING,C21,C23,,,,,33966,bmse010472,1
32,covalent,SING,C21,C24,,,,,33966,bmse010472,1
33,covalent,SING,C22,O33,,,,,33966,bmse010472,1
34,covalent,SING,C23,O30,,,,,33966,bmse010472,1
35,covalent,DOUB,C24,O27,,,,,33966,bmse010472,1
36,covalent,SING,C24,O33,,,,,33966,bmse010472,1
37,covalent,SING,C1,H34,,,,,33966,bmse010472,1
38,covalent,SING,C1,H35,,,,,33966,bmse010472,1
39,covalent,SING,C1,H36,,,,,33966,bmse010472,1
40,covalent,SING,C2,H39,,,,,33966,bmse010472,1
41,covalent,SING,C2,H38,,,,,33966,bmse010472,1
42,covalent,SING,C2,H37,,,,,33966,bmse010472,1
43,covalent,SING,C3,H41,,,,,33966,bmse010472,1
44,covalent,SING,C3,H42,,,,,33966,bmse010472,1
45,covalent,SING,C3,H40,,,,,33966,bmse010472,1
46,covalent,SING,C4,H44,,,,,33966,bmse010472,1
47,covalent,SING,C4,H43,,,,,33966,bmse010472,1
48,covalent,SING,C4,H45,,,,,33966,bmse010472,1
49,covalent,SING,C5,H46,,,,,33966,bmse010472,1
50,covalent,SING,C6,H47,,,,,33966,bmse010472,1
51,covalent,SING,C7,H48,,,,,33966,bmse010472,1
52,covalent,SING,C8,H49,,,,,33966,bmse010472,1
53,covalent,SING,C9,H50,,,,,33966,bmse010472,1
54,covalent,SING,C10,H51,,,,,33966,bmse010472,1
55,covalent,SING,C11,H52,,,,,33966,bmse010472,1
56,covalent,SING,C11,H53,,,,,33966,bmse010472,1
57,covalent,SING,C16,H54,,,,,33966,bmse010472,1
58,covalent,SING,C21,H55,,,,,33966,bmse010472,1
59,covalent,SING,C22,H56,,,,,33966,bmse010472,1
60,covalent,SING,C23,H57,,,,,33966,bmse010472,1
1,covalent,SING,C1,O26,,,,,33986,bmse010473,1
2,covalent,SING,C2,O27,,,,,33986,bmse010473,1
3,covalent,DOUB,C3,C5,,,,,33986,bmse010473,1
4,covalent,SING,C3,C10,,,,,33986,bmse010473,1
5,covalent,DOUB,C4,C6,,,,,33986,bmse010473,1
6,covalent,SING,C4,C11,,,,,33986,bmse010473,1
7,covalent,SING,C5,C13,,,,,33986,bmse010473,1
8,covalent,SING,C6,C14,,,,,33986,bmse010473,1
9,covalent,SING,C7,C10,,,,,33986,bmse010473,1
10,covalent,DOUB,C7,C12,,,,,33986,bmse010473,1
11,covalent,DOUB,C8,C10,,,,,33986,bmse010473,1
12,covalent,SING,C8,C15,,,,,33986,bmse010473,1
13,covalent,DOUB,C9,C11,,,,,33986,bmse010473,1
14,covalent,SING,C9,C16,,,,,33986,bmse010473,1
15,covalent,SING,C18,C11,,,,,33986,bmse010473,1
16,covalent,SING,C12,C17,,,,,33986,bmse010473,1
17,covalent,SING,C12,C20,,,,,33986,bmse010473,1
18,covalent,DOUB,C13,C15,,,,,33986,bmse010473,1
19,covalent,SING,C13,O21,,,,,33986,bmse010473,1
20,covalent,DOUB,C14,C16,,,,,33986,bmse010473,1
21,covalent,SING,C14,O22,,,,,33986,bmse010473,1
22,covalent,SING,C15,O26,,,,,33986,bmse010473,1
23,covalent,SING,C16,O27,,,,,33986,bmse010473,1
24,covalent,SING,C17,C18,,,,,33986,bmse010473,1
25,covalent,SING,C17,C19,,,,,33986,bmse010473,1
26,covalent,SING,C18,O28,,,,,33986,bmse010473,1
27,covalent,SING,C19,O23,,,,,33986,bmse010473,1
28,covalent,DOUB,C19,O24,,,,,33986,bmse010473,1
29,covalent,DOUB,C20,O25,,,,,33986,bmse010473,1
30,covalent,SING,C20,O28,,,,,33986,bmse010473,1
31,covalent,SING,C1,H29,,,,,33986,bmse010473,1
32,covalent,SING,C1,H30,,,,,33986,bmse010473,1
33,covalent,SING,C1,H31,,,,,33986,bmse010473,1
34,covalent,SING,C2,H33,,,,,33986,bmse010473,1
35,covalent,SING,C2,H32,,,,,33986,bmse010473,1
36,covalent,SING,C2,H34,,,,,33986,bmse010473,1
37,covalent,SING,C3,H35,,,,,33986,bmse010473,1
38,covalent,SING,C4,H36,,,,,33986,bmse010473,1
39,covalent,SING,C5,H37,,,,,33986,bmse010473,1
40,covalent,SING,C6,H38,,,,,33986,bmse010473,1
41,covalent,SING,C7,H39,,,,,33986,bmse010473,1
42,covalent,SING,C8,H40,,,,,33986,bmse010473,1
43,covalent,SING,C9,H41,,,,,33986,bmse010473,1
44,covalent,SING,C17,H42,,,,,33986,bmse010473,1
45,covalent,SING,C18,H43,,,,,33986,bmse010473,1
46,covalent,SING,O21,H44,,,,,33986,bmse010473,1
47,covalent,SING,O22,H45,,,,,33986,bmse010473,1
48,covalent,SING,O23,H46,,,,,33986,bmse010473,1
1,covalent,SING,C1,O26,,,,,34003,bmse010474,1
2,covalent,SING,C2,O27,,,,,34003,bmse010474,1
3,covalent,SING,C3,O28,,,,,34003,bmse010474,1
4,covalent,DOUB,C4,C6,,,,,34003,bmse010474,1
5,covalent,SING,C4,C11,,,,,34003,bmse010474,1
6,covalent,DOUB,C5,C7,,,,,34003,bmse010474,1
7,covalent,SING,C5,C12,,,,,34003,bmse010474,1
8,covalent,SING,C6,C14,,,,,34003,bmse010474,1
9,covalent,SING,C7,C15,,,,,34003,bmse010474,1
10,covalent,SING,C8,C11,,,,,34003,bmse010474,1
11,covalent,DOUB,C8,C13,,,,,34003,bmse010474,1
12,covalent,DOUB,C9,C11,,,,,34003,bmse010474,1
13,covalent,SING,C9,C16,,,,,34003,bmse010474,1
14,covalent,DOUB,C10,C12,,,,,34003,bmse010474,1
15,covalent,SING,C10,C17,,,,,34003,bmse010474,1
16,covalent,SING,C19,C12,,,,,34003,bmse010474,1
17,covalent,SING,C13,C18,,,,,34003,bmse010474,1
18,covalent,SING,C13,C20,,,,,34003,bmse010474,1
19,covalent,DOUB,C14,C16,,,,,34003,bmse010474,1
20,covalent,SING,C14,O22,,,,,34003,bmse010474,1
21,covalent,DOUB,C15,C17,,,,,34003,bmse010474,1
22,covalent,SING,C15,O23,,,,,34003,bmse010474,1
23,covalent,SING,C16,O26,,,,,34003,bmse010474,1
24,covalent,SING,C17,O27,,,,,34003,bmse010474,1
25,covalent,SING,C18,C19,,,,,34003,bmse010474,1
26,covalent,SING,C18,C21,,,,,34003,bmse010474,1
27,covalent,SING,C19,O29,,,,,34003,bmse010474,1
28,covalent,DOUB,C20,O24,,,,,34003,bmse010474,1
29,covalent,SING,C20,O29,,,,,34003,bmse010474,1
30,covalent,DOUB,C21,O25,,,,,34003,bmse010474,1
31,covalent,SING,C21,O28,,,,,34003,bmse010474,1
32,covalent,SING,C1,H30,,,,,34003,bmse010474,1
33,covalent,SING,C1,H31,,,,,34003,bmse010474,1
34,covalent,SING,C1,H32,,,,,34003,bmse010474,1
35,covalent,SING,C2,H34,,,,,34003,bmse010474,1
36,covalent,SING,C2,H33,,,,,34003,bmse010474,1
37,covalent,SING,C2,H35,,,,,34003,bmse010474,1
38,covalent,SING,C3,H38,,,,,34003,bmse010474,1
39,covalent,SING,C3,H37,,,,,34003,bmse010474,1
40,covalent,SING,C3,H36,,,,,34003,bmse010474,1
41,covalent,SING,C4,H39,,,,,34003,bmse010474,1
42,covalent,SING,C5,H40,,,,,34003,bmse010474,1
43,covalent,SING,C6,H41,,,,,34003,bmse010474,1
44,covalent,SING,C7,H42,,,,,34003,bmse010474,1
45,covalent,SING,C8,H43,,,,,34003,bmse010474,1
46,covalent,SING,C9,H44,,,,,34003,bmse010474,1
47,covalent,SING,C10,H45,,,,,34003,bmse010474,1
48,covalent,SING,C18,H46,,,,,34003,bmse010474,1
49,covalent,SING,C19,H47,,,,,34003,bmse010474,1
50,covalent,SING,O22,H48,,,,,34003,bmse010474,1
51,covalent,SING,O23,H49,,,,,34003,bmse010474,1
1,covalent,SING,C1,C5,,,,,34023,bmse010475,1
2,covalent,SING,C2,C13,,,,,34023,bmse010475,1
3,covalent,SING,C3,O23,,,,,34023,bmse010475,1
4,covalent,SING,C4,O24,,,,,34023,bmse010475,1
5,covalent,SING,C5,O25,,,,,34023,bmse010475,1
6,covalent,DOUB,C6,C7,,,,,34023,bmse010475,1
7,covalent,SING,C6,C14,,,,,34023,bmse010475,1
8,covalent,SING,C7,C16,,,,,34023,bmse010475,1
9,covalent,DOUB,C8,C14,,,,,34023,bmse010475,1
10,covalent,SING,C8,C17,,,,,34023,bmse010475,1
11,covalent,DOUB,C9,C15,,,,,34023,bmse010475,1
12,covalent,SING,C9,C18,,,,,34023,bmse010475,1
13,covalent,SING,C10,C15,,,,,34023,bmse010475,1
14,covalent,DOUB,C10,C19,,,,,34023,bmse010475,1
15,covalent,SING,C11,C14,,,,,34023,bmse010475,1
16,covalent,DOUB,C11,O21,,,,,34023,bmse010475,1
17,covalent,SING,C12,C15,,,,,34023,bmse010475,1
18,covalent,DOUB,C12,O22,,,,,34023,bmse010475,1
19,covalent,SING,C13,O25,,,,,34023,bmse010475,1
20,covalent,SING,C13,O26,,,,,34023,bmse010475,1
21,covalent,DOUB,C16,C17,,,,,34023,bmse010475,1
22,covalent,SING,C16,O27,,,,,34023,bmse010475,1
23,covalent,SING,C17,O23,,,,,34023,bmse010475,1
24,covalent,DOUB,C18,C20,,,,,34023,bmse010475,1
25,covalent,SING,C18,O24,,,,,34023,bmse010475,1
26,covalent,SING,C19,C20,,,,,34023,bmse010475,1
27,covalent,SING,C19,O27,,,,,34023,bmse010475,1
28,covalent,SING,C20,O26,,,,,34023,bmse010475,1
29,covalent,SING,C1,H29,,,,,34023,bmse010475,1
30,covalent,SING,C1,H28,,,,,34023,bmse010475,1
31,covalent,SING,C1,H30,,,,,34023,bmse010475,1
32,covalent,SING,C2,H33,,,,,34023,bmse010475,1
33,covalent,SING,C2,H31,,,,,34023,bmse010475,1
34,covalent,SING,C2,H32,,,,,34023,bmse010475,1
35,covalent,SING,C3,H36,,,,,34023,bmse010475,1
36,covalent,SING,C3,H35,,,,,34023,bmse010475,1
37,covalent,SING,C3,H34,,,,,34023,bmse010475,1
38,covalent,SING,C4,H38,,,,,34023,bmse010475,1
39,covalent,SING,C4,H37,,,,,34023,bmse010475,1
40,covalent,SING,C4,H39,,,,,34023,bmse010475,1
41,covalent,SING,C5,H40,,,,,34023,bmse010475,1
42,covalent,SING,C5,H41,,,,,34023,bmse010475,1
43,covalent,SING,C6,H42,,,,,34023,bmse010475,1
44,covalent,SING,C7,H43,,,,,34023,bmse010475,1
45,covalent,SING,C8,H44,,,,,34023,bmse010475,1
46,covalent,SING,C9,H45,,,,,34023,bmse010475,1
47,covalent,SING,C10,H46,,,,,34023,bmse010475,1
48,covalent,SING,C11,H47,,,,,34023,bmse010475,1
49,covalent,SING,C12,H48,,,,,34023,bmse010475,1
50,covalent,SING,C13,H49,,,,,34023,bmse010475,1
1,covalent,SING,C1,O20,,,,,34037,bmse010476,1
2,covalent,SING,C2,O21,,,,,34037,bmse010476,1
3,covalent,DOUB,C3,C4,,,,,34037,bmse010476,1
4,covalent,SING,C3,C10,,,,,34037,bmse010476,1
5,covalent,SING,C4,C12,,,,,34037,bmse010476,1
6,covalent,DOUB,C5,C10,,,,,34037,bmse010476,1
7,covalent,SING,C5,C13,,,,,34037,bmse010476,1
8,covalent,DOUB,C6,C11,,,,,34037,bmse010476,1
9,covalent,SING,C6,C14,,,,,34037,bmse010476,1
10,covalent,SING,C7,C11,,,,,34037,bmse010476,1
11,covalent,DOUB,C7,C15,,,,,34037,bmse010476,1
12,covalent,SING,C8,C10,,,,,34037,bmse010476,1
13,covalent,SING,C8,O17,,,,,34037,bmse010476,1
14,covalent,SING,C9,C11,,,,,34037,bmse010476,1
15,covalent,DOUB,C9,O18,,,,,34037,bmse010476,1
16,covalent,DOUB,C12,C13,,,,,34037,bmse010476,1
17,covalent,SING,C12,O22,,,,,34037,bmse010476,1
18,covalent,SING,C13,O20,,,,,34037,bmse010476,1
19,covalent,DOUB,C14,C16,,,,,34037,bmse010476,1
20,covalent,SING,C14,O21,,,,,34037,bmse010476,1
21,covalent,SING,C15,C16,,,,,34037,bmse010476,1
22,covalent,SING,C15,O22,,,,,34037,bmse010476,1
23,covalent,SING,C16,O19,,,,,34037,bmse010476,1
24,covalent,SING,C1,H24,,,,,34037,bmse010476,1
25,covalent,SING,C1,H23,,,,,34037,bmse010476,1
26,covalent,SING,C1,H25,,,,,34037,bmse010476,1
27,covalent,SING,C2,H28,,,,,34037,bmse010476,1
28,covalent,SING,C2,H26,,,,,34037,bmse010476,1
29,covalent,SING,C2,H27,,,,,34037,bmse010476,1
30,covalent,SING,C3,H29,,,,,34037,bmse010476,1
31,covalent,SING,C4,H30,,,,,34037,bmse010476,1
32,covalent,SING,C5,H31,,,,,34037,bmse010476,1
33,covalent,SING,C6,H32,,,,,34037,bmse010476,1
34,covalent,SING,C7,H33,,,,,34037,bmse010476,1
35,covalent,SING,C8,H34,,,,,34037,bmse010476,1
36,covalent,SING,C8,H35,,,,,34037,bmse010476,1
37,covalent,SING,C9,H36,,,,,34037,bmse010476,1
38,covalent,SING,O17,H37,,,,,34037,bmse010476,1
39,covalent,SING,O19,H38,,,,,34037,bmse010476,1
1,covalent,SING,C1,C4,,,,,34057,bmse010477,1
2,covalent,SING,C2,O27,,,,,34057,bmse010477,1
3,covalent,SING,C3,O28,,,,,34057,bmse010477,1
4,covalent,SING,C4,O29,,,,,34057,bmse010477,1
5,covalent,DOUB,C5,C6,,,,,34057,bmse010477,1
6,covalent,SING,C5,C11,,,,,34057,bmse010477,1
7,covalent,SING,C6,C14,,,,,34057,bmse010477,1
8,covalent,DOUB,C7,C10,,,,,34057,bmse010477,1
9,covalent,SING,C7,C14,,,,,34057,bmse010477,1
10,covalent,DOUB,C8,C9,,,,,34057,bmse010477,1
11,covalent,SING,C8,C15,,,,,34057,bmse010477,1
12,covalent,SING,C9,C16,,,,,34057,bmse010477,1
13,covalent,SING,C10,C17,,,,,34057,bmse010477,1
14,covalent,DOUB,C11,O23,,,,,34057,bmse010477,1
15,covalent,DOUB,C12,C14,,,,,34057,bmse010477,1
16,covalent,SING,C12,C19,,,,,34057,bmse010477,1
17,covalent,DOUB,C13,C15,,,,,34057,bmse010477,1
18,covalent,SING,C13,C18,,,,,34057,bmse010477,1
19,covalent,SING,C15,C20,,,,,34057,bmse010477,1
20,covalent,DOUB,C16,C18,,,,,34057,bmse010477,1
21,covalent,SING,C16,O24,,,,,34057,bmse010477,1
22,covalent,DOUB,C17,C19,,,,,34057,bmse010477,1
23,covalent,SING,C17,O30,,,,,34057,bmse010477,1
24,covalent,SING,C18,O27,,,,,34057,bmse010477,1
25,covalent,SING,C19,O28,,,,,34057,bmse010477,1
26,covalent,SING,C20,C21,,,,,34057,bmse010477,1
27,covalent,SING,C20,O25,,,,,34057,bmse010477,1
28,covalent,SING,C21,C22,,,,,34057,bmse010477,1
29,covalent,SING,C21,O30,,,,,34057,bmse010477,1
30,covalent,DOUB,C22,O26,,,,,34057,bmse010477,1
31,covalent,SING,C22,O29,,,,,34057,bmse010477,1
32,covalent,SING,C1,H33,,,,,34057,bmse010477,1
33,covalent,SING,C1,H31,,,,,34057,bmse010477,1
34,covalent,SING,C1,H32,,,,,34057,bmse010477,1
35,covalent,SING,C2,H34,,,,,34057,bmse010477,1
36,covalent,SING,C2,H36,,,,,34057,bmse010477,1
37,covalent,SING,C2,H35,,,,,34057,bmse010477,1
38,covalent,SING,C3,H38,,,,,34057,bmse010477,1
39,covalent,SING,C3,H37,,,,,34057,bmse010477,1
40,covalent,SING,C3,H39,,,,,34057,bmse010477,1
41,covalent,SING,C4,H40,,,,,34057,bmse010477,1
42,covalent,SING,C4,H41,,,,,34057,bmse010477,1
43,covalent,SING,C5,H42,,,,,34057,bmse010477,1
44,covalent,SING,C6,H43,,,,,34057,bmse010477,1
45,covalent,SING,C7,H44,,,,,34057,bmse010477,1
46,covalent,SING,C8,H45,,,,,34057,bmse010477,1
47,covalent,SING,C9,H46,,,,,34057,bmse010477,1
48,covalent,SING,C10,H47,,,,,34057,bmse010477,1
49,covalent,SING,C11,H48,,,,,34057,bmse010477,1
50,covalent,SING,C12,H49,,,,,34057,bmse010477,1
51,covalent,SING,C13,H50,,,,,34057,bmse010477,1
52,covalent,SING,C20,H51,,,,,34057,bmse010477,1
53,covalent,SING,C21,H52,,,,,34057,bmse010477,1
54,covalent,SING,O24,H53,,,,,34057,bmse010477,1
55,covalent,SING,O25,H54,,,,,34057,bmse010477,1
1,covalent,SING,C1,C6,,,,,34074,bmse010478,1
2,covalent,SING,C2,C7,,,,,34074,bmse010478,1
3,covalent,SING,C3,C18,,,,,34074,bmse010478,1
4,covalent,SING,C4,O31,,,,,34074,bmse010478,1
5,covalent,SING,C5,O32,,,,,34074,bmse010478,1
6,covalent,SING,C6,O33,,,,,34074,bmse010478,1
7,covalent,SING,C7,O34,,,,,34074,bmse010478,1
8,covalent,DOUB,C8,C11,,,,,34074,bmse010478,1
9,covalent,SING,C8,C19,,,,,34074,bmse010478,1
10,covalent,DOUB,C9,C13,,,,,34074,bmse010478,1
11,covalent,SING,C9,C19,,,,,34074,bmse010478,1
12,covalent,DOUB,C10,C12,,,,,34074,bmse010478,1
13,covalent,SING,C10,C20,,,,,34074,bmse010478,1
14,covalent,SING,C11,C22,,,,,34074,bmse010478,1
15,covalent,SING,C12,C21,,,,,34074,bmse010478,1
16,covalent,SING,C13,C25,,,,,34074,bmse010478,1
17,covalent,SING,C14,C15,,,,,34074,bmse010478,1
18,covalent,SING,C14,O35,,,,,34074,bmse010478,1
19,covalent,SING,C15,O36,,,,,34074,bmse010478,1
20,covalent,DOUB,C16,C19,,,,,34074,bmse010478,1
21,covalent,SING,C16,C23,,,,,34074,bmse010478,1
22,covalent,DOUB,C17,C20,,,,,34074,bmse010478,1
23,covalent,SING,C17,C24,,,,,34074,bmse010478,1
24,covalent,SING,C18,O33,,,,,34074,bmse010478,1
25,covalent,SING,C18,O37,,,,,34074,bmse010478,1
26,covalent,SING,C20,C26,,,,,34074,bmse010478,1
27,covalent,DOUB,C21,C24,,,,,34074,bmse010478,1
28,covalent,SING,C21,O37,,,,,34074,bmse010478,1
29,covalent,DOUB,C22,C23,,,,,34074,bmse010478,1
30,covalent,SING,C22,O38,,,,,34074,bmse010478,1
31,covalent,SING,C23,O31,,,,,34074,bmse010478,1
32,covalent,SING,C24,O32,,,,,34074,bmse010478,1
33,covalent,SING,C25,O35,,,,,34074,bmse010478,1
34,covalent,SING,C25,O36,,,,,34074,bmse010478,1
35,covalent,SING,C26,C27,,,,,34074,bmse010478,1
36,covalent,SING,C26,O29,,,,,34074,bmse010478,1
37,covalent,SING,C27,C28,,,,,34074,bmse010478,1
38,covalent,SING,C27,O38,,,,,34074,bmse010478,1
39,covalent,DOUB,C28,O30,,,,,34074,bmse010478,1
40,covalent,SING,C28,O34,,,,,34074,bmse010478,1
41,covalent,SING,C1,H39,,,,,34074,bmse010478,1
42,covalent,SING,C1,H40,,,,,34074,bmse010478,1
43,covalent,SING,C1,H41,,,,,34074,bmse010478,1
44,covalent,SING,C2,H42,,,,,34074,bmse010478,1
45,covalent,SING,C2,H43,,,,,34074,bmse010478,1
46,covalent,SING,C2,H44,,,,,34074,bmse010478,1
47,covalent,SING,C3,H45,,,,,34074,bmse010478,1
48,covalent,SING,C3,H46,,,,,34074,bmse010478,1
49,covalent,SING,C3,H47,,,,,34074,bmse010478,1
50,covalent,SING,C4,H48,,,,,34074,bmse010478,1
51,covalent,SING,C4,H49,,,,,34074,bmse010478,1
52,covalent,SING,C4,H50,,,,,34074,bmse010478,1
53,covalent,SING,C5,H51,,,,,34074,bmse010478,1
54,covalent,SING,C5,H52,,,,,34074,bmse010478,1
55,covalent,SING,C5,H53,,,,,34074,bmse010478,1
56,covalent,SING,C6,H54,,,,,34074,bmse010478,1
57,covalent,SING,C6,H55,,,,,34074,bmse010478,1
58,covalent,SING,C7,H56,,,,,34074,bmse010478,1
59,covalent,SING,C7,H57,,,,,34074,bmse010478,1
60,covalent,SING,C8,H58,,,,,34074,bmse010478,1
61,covalent,SING,C9,H59,,,,,34074,bmse010478,1
62,covalent,SING,C10,H60,,,,,34074,bmse010478,1
63,covalent,SING,C11,H61,,,,,34074,bmse010478,1
64,covalent,SING,C12,H62,,,,,34074,bmse010478,1
65,covalent,SING,C13,H63,,,,,34074,bmse010478,1
66,covalent,SING,C14,H64,,,,,34074,bmse010478,1
67,covalent,SING,C14,H65,,,,,34074,bmse010478,1
68,covalent,SING,C15,H66,,,,,34074,bmse010478,1
69,covalent,SING,C15,H67,,,,,34074,bmse010478,1
70,covalent,SING,C16,H68,,,,,34074,bmse010478,1
71,covalent,SING,C17,H69,,,,,34074,bmse010478,1
72,covalent,SING,C18,H70,,,,,34074,bmse010478,1
73,covalent,SING,C25,H71,,,,,34074,bmse010478,1
74,covalent,SING,C26,H72,,,,,34074,bmse010478,1
75,covalent,SING,C27,H73,,,,,34074,bmse010478,1
76,covalent,SING,O29,H74,,,,,34074,bmse010478,1
1,covalent,SING,C1,C6,,,,,34088,bmse010479,1
2,covalent,SING,C2,C7,,,,,34088,bmse010479,1
3,covalent,SING,C3,C18,,,,,34088,bmse010479,1
4,covalent,SING,C4,O31,,,,,34088,bmse010479,1
5,covalent,SING,C5,O32,,,,,34088,bmse010479,1
6,covalent,SING,C6,O33,,,,,34088,bmse010479,1
7,covalent,SING,C7,O34,,,,,34088,bmse010479,1
8,covalent,DOUB,C8,C11,,,,,34088,bmse010479,1
9,covalent,SING,C8,C19,,,,,34088,bmse010479,1
10,covalent,DOUB,C9,C13,,,,,34088,bmse010479,1
11,covalent,SING,C9,C19,,,,,34088,bmse010479,1
12,covalent,DOUB,C10,C12,,,,,34088,bmse010479,1
13,covalent,SING,C10,C20,,,,,34088,bmse010479,1
14,covalent,SING,C11,C22,,,,,34088,bmse010479,1
15,covalent,SING,C12,C21,,,,,34088,bmse010479,1
16,covalent,SING,C13,C25,,,,,34088,bmse010479,1
17,covalent,SING,C14,C15,,,,,34088,bmse010479,1
18,covalent,SING,C14,O35,,,,,34088,bmse010479,1
19,covalent,SING,C15,O36,,,,,34088,bmse010479,1
20,covalent,DOUB,C16,C19,,,,,34088,bmse010479,1
21,covalent,SING,C16,C23,,,,,34088,bmse010479,1
22,covalent,DOUB,C17,C20,,,,,34088,bmse010479,1
23,covalent,SING,C17,C24,,,,,34088,bmse010479,1
24,covalent,SING,C18,O33,,,,,34088,bmse010479,1
25,covalent,SING,C18,O37,,,,,34088,bmse010479,1
26,covalent,SING,C20,C26,,,,,34088,bmse010479,1
27,covalent,DOUB,C21,C24,,,,,34088,bmse010479,1
28,covalent,SING,C21,O37,,,,,34088,bmse010479,1
29,covalent,DOUB,C22,C23,,,,,34088,bmse010479,1
30,covalent,SING,C22,O38,,,,,34088,bmse010479,1
31,covalent,SING,C23,O31,,,,,34088,bmse010479,1
32,covalent,SING,C24,O32,,,,,34088,bmse010479,1
33,covalent,SING,C25,O35,,,,,34088,bmse010479,1
34,covalent,SING,C25,O36,,,,,34088,bmse010479,1
35,covalent,SING,C26,C27,,,,,34088,bmse010479,1
36,covalent,SING,C26,O29,,,,,34088,bmse010479,1
37,covalent,SING,C27,C28,,,,,34088,bmse010479,1
38,covalent,SING,C27,O38,,,,,34088,bmse010479,1
39,covalent,DOUB,C28,O30,,,,,34088,bmse010479,1
40,covalent,SING,C28,O34,,,,,34088,bmse010479,1
41,covalent,SING,C1,H39,,,,,34088,bmse010479,1
42,covalent,SING,C1,H40,,,,,34088,bmse010479,1
43,covalent,SING,C1,H41,,,,,34088,bmse010479,1
44,covalent,SING,C2,H42,,,,,34088,bmse010479,1
45,covalent,SING,C2,H43,,,,,34088,bmse010479,1
46,covalent,SING,C2,H44,,,,,34088,bmse010479,1
47,covalent,SING,C3,H45,,,,,34088,bmse010479,1
48,covalent,SING,C3,H46,,,,,34088,bmse010479,1
49,covalent,SING,C3,H47,,,,,34088,bmse010479,1
50,covalent,SING,C4,H48,,,,,34088,bmse010479,1
51,covalent,SING,C4,H49,,,,,34088,bmse010479,1
52,covalent,SING,C4,H50,,,,,34088,bmse010479,1
53,covalent,SING,C5,H51,,,,,34088,bmse010479,1
54,covalent,SING,C5,H52,,,,,34088,bmse010479,1
55,covalent,SING,C5,H53,,,,,34088,bmse010479,1
56,covalent,SING,C6,H54,,,,,34088,bmse010479,1
57,covalent,SING,C6,H55,,,,,34088,bmse010479,1
58,covalent,SING,C7,H56,,,,,34088,bmse010479,1
59,covalent,SING,C7,H57,,,,,34088,bmse010479,1
60,covalent,SING,C8,H58,,,,,34088,bmse010479,1
61,covalent,SING,C9,H59,,,,,34088,bmse010479,1
62,covalent,SING,C10,H60,,,,,34088,bmse010479,1
63,covalent,SING,C11,H61,,,,,34088,bmse010479,1
64,covalent,SING,C12,H62,,,,,34088,bmse010479,1
65,covalent,SING,C13,H63,,,,,34088,bmse010479,1
66,covalent,SING,C14,H64,,,,,34088,bmse010479,1
67,covalent,SING,C14,H65,,,,,34088,bmse010479,1
68,covalent,SING,C15,H66,,,,,34088,bmse010479,1
69,covalent,SING,C15,H67,,,,,34088,bmse010479,1
70,covalent,SING,C16,H68,,,,,34088,bmse010479,1
71,covalent,SING,C17,H69,,,,,34088,bmse010479,1
72,covalent,SING,C18,H70,,,,,34088,bmse010479,1
73,covalent,SING,C25,H71,,,,,34088,bmse010479,1
74,covalent,SING,C26,H72,,,,,34088,bmse010479,1
75,covalent,SING,C27,H73,,,,,34088,bmse010479,1
76,covalent,SING,O29,H74,,,,,34088,bmse010479,1
1,covalent,SING,C1,C3,,,,,34102,bmse010480,1
2,covalent,SING,C2,O18,,,,,34102,bmse010480,1
3,covalent,SING,C3,O19,,,,,34102,bmse010480,1
4,covalent,DOUB,C4,C6,,,,,34102,bmse010480,1
5,covalent,SING,C4,C12,,,,,34102,bmse010480,1
6,covalent,DOUB,C5,C7,,,,,34102,bmse010480,1
7,covalent,SING,C5,C12,,,,,34102,bmse010480,1
8,covalent,SING,C6,C13,,,,,34102,bmse010480,1
9,covalent,SING,C7,C16,,,,,34102,bmse010480,1
10,covalent,SING,C8,C9,,,,,34102,bmse010480,1
11,covalent,SING,C8,O20,,,,,34102,bmse010480,1
12,covalent,SING,C9,O21,,,,,34102,bmse010480,1
13,covalent,DOUB,C10,C12,,,,,34102,bmse010480,1
14,covalent,SING,C10,C14,,,,,34102,bmse010480,1
15,covalent,SING,C11,C15,,,,,34102,bmse010480,1
16,covalent,SING,C11,O22,,,,,34102,bmse010480,1
17,covalent,DOUB,C13,C14,,,,,34102,bmse010480,1
18,covalent,SING,C13,O22,,,,,34102,bmse010480,1
19,covalent,SING,C14,O18,,,,,34102,bmse010480,1
20,covalent,DOUB,C15,O17,,,,,34102,bmse010480,1
21,covalent,SING,C15,O19,,,,,34102,bmse010480,1
22,covalent,SING,C16,O20,,,,,34102,bmse010480,1
23,covalent,SING,C16,O21,,,,,34102,bmse010480,1
24,covalent,SING,C1,H23,,,,,34102,bmse010480,1
25,covalent,SING,C1,H24,,,,,34102,bmse010480,1
26,covalent,SING,C1,H25,,,,,34102,bmse010480,1
27,covalent,SING,C2,H26,,,,,34102,bmse010480,1
28,covalent,SING,C2,H27,,,,,34102,bmse010480,1
29,covalent,SING,C2,H28,,,,,34102,bmse010480,1
30,covalent,SING,C3,H29,,,,,34102,bmse010480,1
31,covalent,SING,C3,H30,,,,,34102,bmse010480,1
32,covalent,SING,C4,H31,,,,,34102,bmse010480,1
33,covalent,SING,C5,H32,,,,,34102,bmse010480,1
34,covalent,SING,C6,H33,,,,,34102,bmse010480,1
35,covalent,SING,C7,H34,,,,,34102,bmse010480,1
36,covalent,SING,C8,H35,,,,,34102,bmse010480,1
37,covalent,SING,C8,H36,,,,,34102,bmse010480,1
38,covalent,SING,C9,H37,,,,,34102,bmse010480,1
39,covalent,SING,C9,H38,,,,,34102,bmse010480,1
40,covalent,SING,C10,H39,,,,,34102,bmse010480,1
41,covalent,SING,C11,H40,,,,,34102,bmse010480,1
42,covalent,SING,C11,H41,,,,,34102,bmse010480,1
43,covalent,SING,C16,H42,,,,,34102,bmse010480,1
1,covalent,SING,C1,C4,,,,,34116,bmse010481,1
2,covalent,SING,C2,C9,,,,,34116,bmse010481,1
3,covalent,SING,C3,O14,,,,,34116,bmse010481,1
4,covalent,SING,C4,O15,,,,,34116,bmse010481,1
5,covalent,DOUB,C5,C6,,,,,34116,bmse010481,1
6,covalent,SING,C5,C10,,,,,34116,bmse010481,1
7,covalent,SING,C6,C11,,,,,34116,bmse010481,1
8,covalent,DOUB,C7,C10,,,,,34116,bmse010481,1
9,covalent,SING,C7,C12,,,,,34116,bmse010481,1
10,covalent,SING,C8,C10,,,,,34116,bmse010481,1
11,covalent,DOUB,C8,O13,,,,,34116,bmse010481,1
12,covalent,SING,C9,O15,,,,,34116,bmse010481,1
13,covalent,SING,C9,O16,,,,,34116,bmse010481,1
14,covalent,DOUB,C11,C12,,,,,34116,bmse010481,1
15,covalent,SING,C11,O16,,,,,34116,bmse010481,1
16,covalent,SING,C12,O14,,,,,34116,bmse010481,1
17,covalent,SING,C1,H17,,,,,34116,bmse010481,1
18,covalent,SING,C1,H18,,,,,34116,bmse010481,1
19,covalent,SING,C1,H19,,,,,34116,bmse010481,1
20,covalent,SING,C2,H20,,,,,34116,bmse010481,1
21,covalent,SING,C2,H21,,,,,34116,bmse010481,1
22,covalent,SING,C2,H22,,,,,34116,bmse010481,1
23,covalent,SING,C3,H23,,,,,34116,bmse010481,1
24,covalent,SING,C3,H24,,,,,34116,bmse010481,1
25,covalent,SING,C3,H25,,,,,34116,bmse010481,1
26,covalent,SING,C4,H26,,,,,34116,bmse010481,1
27,covalent,SING,C4,H27,,,,,34116,bmse010481,1
28,covalent,SING,C5,H28,,,,,34116,bmse010481,1
29,covalent,SING,C6,H29,,,,,34116,bmse010481,1
30,covalent,SING,C7,H30,,,,,34116,bmse010481,1
31,covalent,SING,C8,H31,,,,,34116,bmse010481,1
32,covalent,SING,C9,H32,,,,,34116,bmse010481,1
1,covalent,SING,C1,O24,,,,,34130,bmse010483,1
2,covalent,SING,C2,O25,,,,,34130,bmse010483,1
3,covalent,SING,C3,O26,,,,,34130,bmse010483,1
4,covalent,DOUB,C4,C5,,,,,34130,bmse010483,1
5,covalent,SING,C4,C8,,,,,34130,bmse010483,1
6,covalent,SING,C5,C13,,,,,34130,bmse010483,1
7,covalent,DOUB,C6,C7,,,,,34130,bmse010483,1
8,covalent,SING,C6,C14,,,,,34130,bmse010483,1
9,covalent,SING,C7,C17,,,,,34130,bmse010483,1
10,covalent,SING,C8,O22,,,,,34130,bmse010483,1
11,covalent,DOUB,C9,C13,,,,,34130,bmse010483,1
12,covalent,SING,C9,C15,,,,,34130,bmse010483,1
13,covalent,SING,C10,C13,,,,,34130,bmse010483,1
14,covalent,DOUB,C10,C19,,,,,34130,bmse010483,1
15,covalent,DOUB,C11,C14,,,,,34130,bmse010483,1
16,covalent,SING,C11,C18,,,,,34130,bmse010483,1
17,covalent,SING,C12,C16,,,,,34130,bmse010483,1
18,covalent,SING,C12,O23,,,,,34130,bmse010483,1
19,covalent,SING,C14,C20,,,,,34130,bmse010483,1
20,covalent,SING,C15,C16,,,,,34130,bmse010483,1
21,covalent,DOUB,C15,C21,,,,,34130,bmse010483,1
22,covalent,SING,C16,C20,,,,,34130,bmse010483,1
23,covalent,DOUB,C17,C18,,,,,34130,bmse010483,1
24,covalent,SING,C17,O24,,,,,34130,bmse010483,1
25,covalent,SING,C18,O25,,,,,34130,bmse010483,1
26,covalent,SING,C19,C21,,,,,34130,bmse010483,1
27,covalent,SING,C19,O26,,,,,34130,bmse010483,1
28,covalent,SING,C20,O27,,,,,34130,bmse010483,1
29,covalent,SING,C21,O27,,,,,34130,bmse010483,1
30,covalent,SING,C1,H30,,,,,34130,bmse010483,1
31,covalent,SING,C1,H29,,,,,34130,bmse010483,1
32,covalent,SING,C1,H28,,,,,34130,bmse010483,1
33,covalent,SING,C2,H33,,,,,34130,bmse010483,1
34,covalent,SING,C2,H32,,,,,34130,bmse010483,1
35,covalent,SING,C2,H31,,,,,34130,bmse010483,1
36,covalent,SING,C3,H34,,,,,34130,bmse010483,1
37,covalent,SING,C3,H35,,,,,34130,bmse010483,1
38,covalent,SING,C3,H36,,,,,34130,bmse010483,1
39,covalent,SING,C4,H37,,,,,34130,bmse010483,1
40,covalent,SING,C5,H38,,,,,34130,bmse010483,1
41,covalent,SING,C6,H39,,,,,34130,bmse010483,1
42,covalent,SING,C7,H40,,,,,34130,bmse010483,1
43,covalent,SING,C8,H41,,,,,34130,bmse010483,1
44,covalent,SING,C8,H42,,,,,34130,bmse010483,1
45,covalent,SING,C9,H43,,,,,34130,bmse010483,1
46,covalent,SING,C10,H44,,,,,34130,bmse010483,1
47,covalent,SING,C11,H45,,,,,34130,bmse010483,1
48,covalent,SING,C12,H46,,,,,34130,bmse010483,1
49,covalent,SING,C12,H47,,,,,34130,bmse010483,1
50,covalent,SING,C16,H48,,,,,34130,bmse010483,1
51,covalent,SING,C20,H49,,,,,34130,bmse010483,1
52,covalent,SING,O22,H50,,,,,34130,bmse010483,1
53,covalent,SING,O23,H51,,,,,34130,bmse010483,1
1,covalent,SING,C1,O27,,,,,34144,bmse010484,1
2,covalent,SING,C2,O28,,,,,34144,bmse010484,1
3,covalent,DOUB,C3,C6,,,,,34144,bmse010484,1
4,covalent,SING,C3,C11,,,,,34144,bmse010484,1
5,covalent,DOUB,C4,C7,,,,,34144,bmse010484,1
6,covalent,SING,C4,C12,,,,,34144,bmse010484,1
7,covalent,DOUB,C5,C8,,,,,34144,bmse010484,1
8,covalent,SING,C5,C12,,,,,34144,bmse010484,1
9,covalent,SING,C6,C14,,,,,34144,bmse010484,1
10,covalent,SING,C7,C15,,,,,34144,bmse010484,1
11,covalent,SING,C8,C17,,,,,34144,bmse010484,1
12,covalent,SING,C9,C11,,,,,34144,bmse010484,1
13,covalent,DOUB,C9,C13,,,,,34144,bmse010484,1
14,covalent,DOUB,C10,C11,,,,,34144,bmse010484,1
15,covalent,SING,C10,C16,,,,,34144,bmse010484,1
16,covalent,DOUB,C12,C18,,,,,34144,bmse010484,1
17,covalent,SING,C13,C18,,,,,34144,bmse010484,1
18,covalent,SING,C13,C20,,,,,34144,bmse010484,1
19,covalent,DOUB,C14,C16,,,,,34144,bmse010484,1
20,covalent,SING,C14,O21,,,,,34144,bmse010484,1
21,covalent,DOUB,C15,C19,,,,,34144,bmse010484,1
22,covalent,SING,C15,O27,,,,,34144,bmse010484,1
23,covalent,SING,C16,O28,,,,,34144,bmse010484,1
24,covalent,SING,C17,O22,,,,,34144,bmse010484,1
25,covalent,DOUB,C17,O23,,,,,34144,bmse010484,1
26,covalent,SING,C18,C19,,,,,34144,bmse010484,1
27,covalent,SING,C19,O24,,,,,34144,bmse010484,1
28,covalent,SING,C20,O25,,,,,34144,bmse010484,1
29,covalent,DOUB,C20,O26,,,,,34144,bmse010484,1
30,covalent,SING,C1,H31,,,,,34144,bmse010484,1
31,covalent,SING,C1,H30,,,,,34144,bmse010484,1
32,covalent,SING,C1,H29,,,,,34144,bmse010484,1
33,covalent,SING,C2,H32,,,,,34144,bmse010484,1
34,covalent,SING,C2,H33,,,,,34144,bmse010484,1
35,covalent,SING,C2,H34,,,,,34144,bmse010484,1
36,covalent,SING,C3,H35,,,,,34144,bmse010484,1
37,covalent,SING,C4,H36,,,,,34144,bmse010484,1
38,covalent,SING,C5,H37,,,,,34144,bmse010484,1
39,covalent,SING,C6,H38,,,,,34144,bmse010484,1
40,covalent,SING,C7,H39,,,,,34144,bmse010484,1
41,covalent,SING,C8,H40,,,,,34144,bmse010484,1
42,covalent,SING,C9,H41,,,,,34144,bmse010484,1
43,covalent,SING,C10,H42,,,,,34144,bmse010484,1
44,covalent,SING,O21,H43,,,,,34144,bmse010484,1
45,covalent,SING,O22,H44,,,,,34144,bmse010484,1
46,covalent,SING,O24,H45,,,,,34144,bmse010484,1
47,covalent,SING,O25,H46,,,,,34144,bmse010484,1
1,covalent,SING,C1,C3,,,,,34161,bmse010485,1
2,covalent,SING,C2,O17,,,,,34161,bmse010485,1
3,covalent,SING,C3,O18,,,,,34161,bmse010485,1
4,covalent,DOUB,C4,C5,,,,,34161,bmse010485,1
5,covalent,SING,C4,C8,,,,,34161,bmse010485,1
6,covalent,SING,C5,C11,,,,,34161,bmse010485,1
7,covalent,DOUB,C6,C7,,,,,34161,bmse010485,1
8,covalent,SING,C6,C11,,,,,34161,bmse010485,1
9,covalent,SING,C7,C12,,,,,34161,bmse010485,1
10,covalent,DOUB,C8,O15,,,,,34161,bmse010485,1
11,covalent,DOUB,C9,C11,,,,,34161,bmse010485,1
12,covalent,SING,C9,C13,,,,,34161,bmse010485,1
13,covalent,SING,C10,C14,,,,,34161,bmse010485,1
14,covalent,SING,C10,O19,,,,,34161,bmse010485,1
15,covalent,DOUB,C12,C13,,,,,34161,bmse010485,1
16,covalent,SING,C12,O19,,,,,34161,bmse010485,1
17,covalent,SING,C13,O17,,,,,34161,bmse010485,1
18,covalent,DOUB,C14,O16,,,,,34161,bmse010485,1
19,covalent,SING,C14,O18,,,,,34161,bmse010485,1
20,covalent,SING,C1,H22,,,,,34161,bmse010485,1
21,covalent,SING,C1,H20,,,,,34161,bmse010485,1
22,covalent,SING,C1,H21,,,,,34161,bmse010485,1
23,covalent,SING,C2,H24,,,,,34161,bmse010485,1
24,covalent,SING,C2,H23,,,,,34161,bmse010485,1
25,covalent,SING,C2,H25,,,,,34161,bmse010485,1
26,covalent,SING,C3,H26,,,,,34161,bmse010485,1
27,covalent,SING,C3,H27,,,,,34161,bmse010485,1
28,covalent,SING,C4,H28,,,,,34161,bmse010485,1
29,covalent,SING,C5,H29,,,,,34161,bmse010485,1
30,covalent,SING,C6,H30,,,,,34161,bmse010485,1
31,covalent,SING,C7,H31,,,,,34161,bmse010485,1
32,covalent,SING,C8,H32,,,,,34161,bmse010485,1
33,covalent,SING,C9,H33,,,,,34161,bmse010485,1
34,covalent,SING,C10,H34,,,,,34161,bmse010485,1
35,covalent,SING,C10,H35,,,,,34161,bmse010485,1
1,covalent,SING,C1,O27,,,,,34175,bmse010486,1
2,covalent,SING,C2,O28,,,,,34175,bmse010486,1
3,covalent,DOUB,C3,C5,,,,,34175,bmse010486,1
4,covalent,SING,C3,C11,,,,,34175,bmse010486,1
5,covalent,DOUB,C4,C6,,,,,34175,bmse010486,1
6,covalent,SING,C4,C12,,,,,34175,bmse010486,1
7,covalent,SING,C5,C17,,,,,34175,bmse010486,1
8,covalent,SING,C6,C18,,,,,34175,bmse010486,1
9,covalent,DOUB,C7,C11,,,,,34175,bmse010486,1
10,covalent,SING,C7,C13,,,,,34175,bmse010486,1
11,covalent,DOUB,C8,C12,,,,,34175,bmse010486,1
12,covalent,SING,C8,C14,,,,,34175,bmse010486,1
13,covalent,SING,C9,C11,,,,,34175,bmse010486,1
14,covalent,DOUB,C9,C15,,,,,34175,bmse010486,1
15,covalent,SING,C10,C12,,,,,34175,bmse010486,1
16,covalent,DOUB,C10,C16,,,,,34175,bmse010486,1
17,covalent,SING,C13,C14,,,,,34175,bmse010486,1
18,covalent,DOUB,C13,C19,,,,,34175,bmse010486,1
19,covalent,DOUB,C14,C20,,,,,34175,bmse010486,1
20,covalent,SING,C15,C19,,,,,34175,bmse010486,1
21,covalent,SING,C15,O27,,,,,34175,bmse010486,1
22,covalent,SING,C16,C20,,,,,34175,bmse010486,1
23,covalent,SING,C16,O28,,,,,34175,bmse010486,1
24,covalent,SING,C17,O21,,,,,34175,bmse010486,1
25,covalent,DOUB,C17,O22,,,,,34175,bmse010486,1
26,covalent,SING,C18,O23,,,,,34175,bmse010486,1
27,covalent,DOUB,C18,O24,,,,,34175,bmse010486,1
28,covalent,SING,C19,O25,,,,,34175,bmse010486,1
29,covalent,SING,C20,O26,,,,,34175,bmse010486,1
30,covalent,SING,C1,H29,,,,,34175,bmse010486,1
31,covalent,SING,C1,H30,,,,,34175,bmse010486,1
32,covalent,SING,C1,H31,,,,,34175,bmse010486,1
33,covalent,SING,C2,H34,,,,,34175,bmse010486,1
34,covalent,SING,C2,H33,,,,,34175,bmse010486,1
35,covalent,SING,C2,H32,,,,,34175,bmse010486,1
36,covalent,SING,C3,H35,,,,,34175,bmse010486,1
37,covalent,SING,C4,H36,,,,,34175,bmse010486,1
38,covalent,SING,C5,H37,,,,,34175,bmse010486,1
39,covalent,SING,C6,H38,,,,,34175,bmse010486,1
40,covalent,SING,C7,H39,,,,,34175,bmse010486,1
41,covalent,SING,C8,H40,,,,,34175,bmse010486,1
42,covalent,SING,C9,H41,,,,,34175,bmse010486,1
43,covalent,SING,C10,H42,,,,,34175,bmse010486,1
44,covalent,SING,O21,H43,,,,,34175,bmse010486,1
45,covalent,SING,O23,H44,,,,,34175,bmse010486,1
46,covalent,SING,O25,H45,,,,,34175,bmse010486,1
47,covalent,SING,O26,H46,,,,,34175,bmse010486,1
1,covalent,SING,C1,C29,,,,,34192,bmse010487,1
2,covalent,SING,C2,C30,,,,,34192,bmse010487,1
3,covalent,SING,C3,C31,,,,,34192,bmse010487,1
4,covalent,SING,C4,C32,,,,,34192,bmse010487,1
5,covalent,SING,C49,C5,,,,,34192,bmse010487,1
6,covalent,SING,C50,C6,,,,,34192,bmse010487,1
7,covalent,SING,C7,O55,,,,,34192,bmse010487,1
8,covalent,SING,C8,O56,,,,,34192,bmse010487,1
9,covalent,SING,C9,O57,,,,,34192,bmse010487,1
10,covalent,SING,C10,O58,,,,,34192,bmse010487,1
11,covalent,DOUB,C11,C12,,,,,34192,bmse010487,1
12,covalent,SING,C11,C21,,,,,34192,bmse010487,1
13,covalent,SING,C12,C33,,,,,34192,bmse010487,1
14,covalent,DOUB,C13,C17,,,,,34192,bmse010487,1
15,covalent,SING,C13,C33,,,,,34192,bmse010487,1
16,covalent,DOUB,C14,C18,,,,,34192,bmse010487,1
17,covalent,SING,C14,C34,,,,,34192,bmse010487,1
18,covalent,DOUB,C15,C19,,,,,34192,bmse010487,1
19,covalent,SING,C15,C35,,,,,34192,bmse010487,1
20,covalent,DOUB,C16,C20,,,,,34192,bmse010487,1
21,covalent,SING,C16,C36,,,,,34192,bmse010487,1
22,covalent,SING,C17,C39,,,,,34192,bmse010487,1
23,covalent,SING,C18,C37,,,,,34192,bmse010487,1
24,covalent,SING,C19,C38,,,,,34192,bmse010487,1
25,covalent,SING,C20,C40,,,,,34192,bmse010487,1
26,covalent,SING,C21,O59,,,,,34192,bmse010487,1
27,covalent,DOUB,C22,C33,,,,,34192,bmse010487,1
28,covalent,SING,C22,C41,,,,,34192,bmse010487,1
29,covalent,DOUB,C23,C34,,,,,34192,bmse010487,1
30,covalent,SING,C23,C42,,,,,34192,bmse010487,1
31,covalent,DOUB,C24,C35,,,,,34192,bmse010487,1
32,covalent,SING,C24,C43,,,,,34192,bmse010487,1
33,covalent,DOUB,C25,C36,,,,,34192,bmse010487,1
34,covalent,SING,C25,C44,,,,,34192,bmse010487,1
35,covalent,SING,C26,C45,,,,,34192,bmse010487,1
36,covalent,SING,C26,O60,,,,,34192,bmse010487,1
37,covalent,SING,C27,C49,,,,,34192,bmse010487,1
38,covalent,SING,C27,O62,,,,,34192,bmse010487,1
39,covalent,SING,C28,C50,,,,,34192,bmse010487,1
40,covalent,SING,C28,O61,,,,,34192,bmse010487,1
41,covalent,DOUB,C29,O51,,,,,34192,bmse010487,1
42,covalent,SING,C29,O59,,,,,34192,bmse010487,1
43,covalent,DOUB,C30,O52,,,,,34192,bmse010487,1
44,covalent,SING,C30,O60,,,,,34192,bmse010487,1
45,covalent,DOUB,C31,O53,,,,,34192,bmse010487,1
46,covalent,SING,C31,O63,,,,,34192,bmse010487,1
47,covalent,DOUB,C32,O54,,,,,34192,bmse010487,1
48,covalent,SING,C32,O64,,,,,34192,bmse010487,1
49,covalent,SING,C34,C46,,,,,34192,bmse010487,1
50,covalent,SING,C47,C35,,,,,34192,bmse010487,1
51,covalent,SING,C48,C36,,,,,34192,bmse010487,1
52,covalent,DOUB,C37,C42,,,,,34192,bmse010487,1
53,covalent,SING,C37,O63,,,,,34192,bmse010487,1
54,covalent,DOUB,C38,C43,,,,,34192,bmse010487,1
55,covalent,SING,C38,O64,,,,,34192,bmse010487,1
56,covalent,DOUB,C39,C41,,,,,34192,bmse010487,1
57,covalent,SING,C39,O65,,,,,34192,bmse010487,1
58,covalent,DOUB,C40,C44,,,,,34192,bmse010487,1
59,covalent,SING,C40,O66,,,,,34192,bmse010487,1
60,covalent,SING,C41,O55,,,,,34192,bmse010487,1
61,covalent,SING,C42,O56,,,,,34192,bmse010487,1
62,covalent,SING,C43,O57,,,,,34192,bmse010487,1
63,covalent,SING,C44,O58,,,,,34192,bmse010487,1
64,covalent,SING,C45,C46,,,,,34192,bmse010487,1
65,covalent,SING,C45,O65,,,,,34192,bmse010487,1
66,covalent,SING,C46,O66,,,,,34192,bmse010487,1
67,covalent,SING,C47,C49,,,,,34192,bmse010487,1
68,covalent,SING,C47,O61,,,,,34192,bmse010487,1
69,covalent,SING,C48,C50,,,,,34192,bmse010487,1
70,covalent,SING,C48,O62,,,,,34192,bmse010487,1
71,covalent,SING,C49,C50,,,,,34192,bmse010487,1
72,covalent,SING,C1,H67,,,,,34192,bmse010487,1
73,covalent,SING,C1,H68,,,,,34192,bmse010487,1
74,covalent,SING,C1,H69,,,,,34192,bmse010487,1
75,covalent,SING,C2,H72,,,,,34192,bmse010487,1
76,covalent,SING,C2,H70,,,,,34192,bmse010487,1
77,covalent,SING,C2,H71,,,,,34192,bmse010487,1
78,covalent,SING,C3,H75,,,,,34192,bmse010487,1
79,covalent,SING,C3,H74,,,,,34192,bmse010487,1
80,covalent,SING,C3,H73,,,,,34192,bmse010487,1
81,covalent,SING,C4,H76,,,,,34192,bmse010487,1
82,covalent,SING,C4,H77,,,,,34192,bmse010487,1
83,covalent,SING,C4,H78,,,,,34192,bmse010487,1
84,covalent,SING,C5,H80,,,,,34192,bmse010487,1
85,covalent,SING,C5,H79,,,,,34192,bmse010487,1
86,covalent,SING,C5,H81,,,,,34192,bmse010487,1
87,covalent,SING,C6,H83,,,,,34192,bmse010487,1
88,covalent,SING,C6,H84,,,,,34192,bmse010487,1
89,covalent,SING,C6,H82,,,,,34192,bmse010487,1
90,covalent,SING,C7,H87,,,,,34192,bmse010487,1
91,covalent,SING,C7,H86,,,,,34192,bmse010487,1
92,covalent,SING,C7,H85,,,,,34192,bmse010487,1
93,covalent,SING,C8,H89,,,,,34192,bmse010487,1
94,covalent,SING,C8,H90,,,,,34192,bmse010487,1
95,covalent,SING,C8,H88,,,,,34192,bmse010487,1
96,covalent,SING,C9,H91,,,,,34192,bmse010487,1
97,covalent,SING,C9,H93,,,,,34192,bmse010487,1
98,covalent,SING,C9,H92,,,,,34192,bmse010487,1
99,covalent,SING,C10,H95,,,,,34192,bmse010487,1
100,covalent,SING,C10,H96,,,,,34192,bmse010487,1
101,covalent,SING,C10,H94,,,,,34192,bmse010487,1
102,covalent,SING,C11,H97,,,,,34192,bmse010487,1
103,covalent,SING,C12,H98,,,,,34192,bmse010487,1
104,covalent,SING,C13,H99,,,,,34192,bmse010487,1
105,covalent,SING,C14,H100,,,,,34192,bmse010487,1
106,covalent,SING,C15,H101,,,,,34192,bmse010487,1
107,covalent,SING,C16,H102,,,,,34192,bmse010487,1
108,covalent,SING,C17,H103,,,,,34192,bmse010487,1
109,covalent,SING,C18,H104,,,,,34192,bmse010487,1
110,covalent,SING,C19,H105,,,,,34192,bmse010487,1
111,covalent,SING,C20,H106,,,,,34192,bmse010487,1
112,covalent,SING,C21,H107,,,,,34192,bmse010487,1
113,covalent,SING,C21,H108,,,,,34192,bmse010487,1
114,covalent,SING,C22,H109,,,,,34192,bmse010487,1
115,covalent,SING,C23,H110,,,,,34192,bmse010487,1
116,covalent,SING,C24,H111,,,,,34192,bmse010487,1
117,covalent,SING,C25,H112,,,,,34192,bmse010487,1
118,covalent,SING,C26,H113,,,,,34192,bmse010487,1
119,covalent,SING,C26,H114,,,,,34192,bmse010487,1
120,covalent,SING,C27,H115,,,,,34192,bmse010487,1
121,covalent,SING,C27,H116,,,,,34192,bmse010487,1
122,covalent,SING,C28,H117,,,,,34192,bmse010487,1
123,covalent,SING,C28,H118,,,,,34192,bmse010487,1
124,covalent,SING,C45,H119,,,,,34192,bmse010487,1
125,covalent,SING,C46,H120,,,,,34192,bmse010487,1
126,covalent,SING,C47,H121,,,,,34192,bmse010487,1
127,covalent,SING,C48,H122,,,,,34192,bmse010487,1
1,covalent,SING,C1,O44,,,,,34212,bmse010488,1
2,covalent,SING,C2,O45,,,,,34212,bmse010488,1
3,covalent,SING,C3,O46,,,,,34212,bmse010488,1
4,covalent,DOUB,C4,C5,,,,,34212,bmse010488,1
5,covalent,SING,C4,C22,,,,,34212,bmse010488,1
6,covalent,SING,C5,C27,,,,,34212,bmse010488,1
7,covalent,SING,C6,C14,,,,,34212,bmse010488,1
8,covalent,DOUB,C6,C25,,,,,34212,bmse010488,1
9,covalent,DOUB,C7,C15,,,,,34212,bmse010488,1
10,covalent,SING,C7,C25,,,,,34212,bmse010488,1
11,covalent,SING,C8,C16,,,,,34212,bmse010488,1
12,covalent,DOUB,C8,C26,,,,,34212,bmse010488,1
13,covalent,DOUB,C9,C17,,,,,34212,bmse010488,1
14,covalent,SING,C9,C26,,,,,34212,bmse010488,1
15,covalent,DOUB,C10,C20,,,,,34212,bmse010488,1
16,covalent,SING,C10,C25,,,,,34212,bmse010488,1
17,covalent,DOUB,C11,C21,,,,,34212,bmse010488,1
18,covalent,SING,C11,C26,,,,,34212,bmse010488,1
19,covalent,DOUB,C12,C18,,,,,34212,bmse010488,1
20,covalent,SING,C12,C27,,,,,34212,bmse010488,1
21,covalent,DOUB,C13,C19,,,,,34212,bmse010488,1
22,covalent,SING,C13,C28,,,,,34212,bmse010488,1
23,covalent,DOUB,C14,C29,,,,,34212,bmse010488,1
24,covalent,SING,C15,C29,,,,,34212,bmse010488,1
25,covalent,DOUB,C16,C30,,,,,34212,bmse010488,1
26,covalent,SING,C17,C30,,,,,34212,bmse010488,1
27,covalent,SING,C18,C31,,,,,34212,bmse010488,1
28,covalent,SING,C19,C33,,,,,34212,bmse010488,1
29,covalent,SING,C20,C35,,,,,34212,bmse010488,1
30,covalent,SING,C21,C36,,,,,34212,bmse010488,1
31,covalent,SING,C22,O47,,,,,34212,bmse010488,1
32,covalent,DOUB,C23,C28,,,,,34212,bmse010488,1
33,covalent,SING,C23,C34,,,,,34212,bmse010488,1
34,covalent,SING,C32,C24,,,,,34212,bmse010488,1
35,covalent,SING,C24,O48,,,,,34212,bmse010488,1
36,covalent,DOUB,C27,C38,,,,,34212,bmse010488,1
37,covalent,SING,C28,C37,,,,,34212,bmse010488,1
38,covalent,SING,C29,O40,,,,,34212,bmse010488,1
39,covalent,SING,C30,O41,,,,,34212,bmse010488,1
40,covalent,SING,C31,C32,,,,,34212,bmse010488,1
41,covalent,DOUB,C31,C39,,,,,34212,bmse010488,1
42,covalent,SING,C32,C37,,,,,34212,bmse010488,1
43,covalent,DOUB,C33,C34,,,,,34212,bmse010488,1
44,covalent,SING,C33,O44,,,,,34212,bmse010488,1
45,covalent,SING,C34,O45,,,,,34212,bmse010488,1
46,covalent,DOUB,C35,O42,,,,,34212,bmse010488,1
47,covalent,SING,C35,O47,,,,,34212,bmse010488,1
48,covalent,DOUB,C36,O43,,,,,34212,bmse010488,1
49,covalent,SING,C36,O48,,,,,34212,bmse010488,1
50,covalent,SING,C37,O49,,,,,34212,bmse010488,1
51,covalent,SING,C38,C39,,,,,34212,bmse010488,1
52,covalent,SING,C38,O46,,,,,34212,bmse010488,1
53,covalent,SING,C39,O49,,,,,34212,bmse010488,1
54,covalent,SING,C1,H52,,,,,34212,bmse010488,1
55,covalent,SING,C1,H51,,,,,34212,bmse010488,1
56,covalent,SING,C1,H50,,,,,34212,bmse010488,1
57,covalent,SING,C2,H55,,,,,34212,bmse010488,1
58,covalent,SING,C2,H54,,,,,34212,bmse010488,1
59,covalent,SING,C2,H53,,,,,34212,bmse010488,1
60,covalent,SING,C3,H57,,,,,34212,bmse010488,1
61,covalent,SING,C3,H56,,,,,34212,bmse010488,1
62,covalent,SING,C3,H58,,,,,34212,bmse010488,1
63,covalent,SING,C4,H59,,,,,34212,bmse010488,1
64,covalent,SING,C5,H60,,,,,34212,bmse010488,1
65,covalent,SING,C6,H61,,,,,34212,bmse010488,1
66,covalent,SING,C7,H62,,,,,34212,bmse010488,1
67,covalent,SING,C8,H63,,,,,34212,bmse010488,1
68,covalent,SING,C9,H64,,,,,34212,bmse010488,1
69,covalent,SING,C10,H65,,,,,34212,bmse010488,1
70,covalent,SING,C11,H66,,,,,34212,bmse010488,1
71,covalent,SING,C12,H67,,,,,34212,bmse010488,1
72,covalent,SING,C13,H68,,,,,34212,bmse010488,1
73,covalent,SING,C14,H69,,,,,34212,bmse010488,1
74,covalent,SING,C15,H70,,,,,34212,bmse010488,1
75,covalent,SING,C16,H71,,,,,34212,bmse010488,1
76,covalent,SING,C17,H72,,,,,34212,bmse010488,1
77,covalent,SING,C18,H73,,,,,34212,bmse010488,1
78,covalent,SING,C19,H74,,,,,34212,bmse010488,1
79,covalent,SING,C20,H75,,,,,34212,bmse010488,1
80,covalent,SING,C21,H76,,,,,34212,bmse010488,1
81,covalent,SING,C22,H77,,,,,34212,bmse010488,1
82,covalent,SING,C22,H78,,,,,34212,bmse010488,1
83,covalent,SING,C23,H79,,,,,34212,bmse010488,1
84,covalent,SING,C24,H80,,,,,34212,bmse010488,1
85,covalent,SING,C24,H81,,,,,34212,bmse010488,1
86,covalent,SING,C32,H82,,,,,34212,bmse010488,1
87,covalent,SING,C37,H83,,,,,34212,bmse010488,1
88,covalent,SING,O40,H84,,,,,34212,bmse010488,1
89,covalent,SING,O41,H85,,,,,34212,bmse010488,1
1,covalent,SING,C1,C27,,,,,34232,bmse010489,1
2,covalent,SING,C2,C28,,,,,34232,bmse010489,1
3,covalent,SING,C3,O48,,,,,34232,bmse010489,1
4,covalent,SING,C4,O49,,,,,34232,bmse010489,1
5,covalent,SING,C5,O50,,,,,34232,bmse010489,1
6,covalent,DOUB,C6,C7,,,,,34232,bmse010489,1
7,covalent,SING,C6,C24,,,,,34232,bmse010489,1
8,covalent,SING,C7,C31,,,,,34232,bmse010489,1
9,covalent,SING,C8,C16,,,,,34232,bmse010489,1
10,covalent,DOUB,C8,C29,,,,,34232,bmse010489,1
11,covalent,DOUB,C9,C17,,,,,34232,bmse010489,1
12,covalent,SING,C9,C29,,,,,34232,bmse010489,1
13,covalent,SING,C10,C18,,,,,34232,bmse010489,1
14,covalent,DOUB,C10,C30,,,,,34232,bmse010489,1
15,covalent,DOUB,C11,C19,,,,,34232,bmse010489,1
16,covalent,SING,C11,C30,,,,,34232,bmse010489,1
17,covalent,DOUB,C12,C22,,,,,34232,bmse010489,1
18,covalent,SING,C12,C29,,,,,34232,bmse010489,1
19,covalent,DOUB,C13,C23,,,,,34232,bmse010489,1
20,covalent,SING,C13,C30,,,,,34232,bmse010489,1
21,covalent,DOUB,C14,C20,,,,,34232,bmse010489,1
22,covalent,SING,C14,C31,,,,,34232,bmse010489,1
23,covalent,DOUB,C15,C21,,,,,34232,bmse010489,1
24,covalent,SING,C15,C32,,,,,34232,bmse010489,1
25,covalent,DOUB,C16,C33,,,,,34232,bmse010489,1
26,covalent,SING,C17,C33,,,,,34232,bmse010489,1
27,covalent,DOUB,C18,C34,,,,,34232,bmse010489,1
28,covalent,SING,C19,C34,,,,,34232,bmse010489,1
29,covalent,SING,C20,C35,,,,,34232,bmse010489,1
30,covalent,SING,C21,C37,,,,,34232,bmse010489,1
31,covalent,SING,C22,C39,,,,,34232,bmse010489,1
32,covalent,SING,C23,C40,,,,,34232,bmse010489,1
33,covalent,SING,C24,O51,,,,,34232,bmse010489,1
34,covalent,DOUB,C25,C32,,,,,34232,bmse010489,1
35,covalent,SING,C25,C38,,,,,34232,bmse010489,1
36,covalent,SING,C36,C26,,,,,34232,bmse010489,1
37,covalent,SING,C26,O52,,,,,34232,bmse010489,1
38,covalent,DOUB,C27,O44,,,,,34232,bmse010489,1
39,covalent,SING,C27,O53,,,,,34232,bmse010489,1
40,covalent,DOUB,C28,O45,,,,,34232,bmse010489,1
41,covalent,SING,C28,O54,,,,,34232,bmse010489,1
42,covalent,DOUB,C31,C42,,,,,34232,bmse010489,1
43,covalent,SING,C32,C41,,,,,34232,bmse010489,1
44,covalent,SING,C33,O53,,,,,34232,bmse010489,1
45,covalent,SING,C34,O54,,,,,34232,bmse010489,1
46,covalent,SING,C35,C36,,,,,34232,bmse010489,1
47,covalent,DOUB,C35,C43,,,,,34232,bmse010489,1
48,covalent,SING,C36,C41,,,,,34232,bmse010489,1
49,covalent,DOUB,C37,C38,,,,,34232,bmse010489,1
50,covalent,SING,C37,O48,,,,,34232,bmse010489,1
51,covalent,SING,C38,O49,,,,,34232,bmse010489,1
52,covalent,DOUB,C39,O46,,,,,34232,bmse010489,1
53,covalent,SING,C39,O51,,,,,34232,bmse010489,1
54,covalent,DOUB,C40,O47,,,,,34232,bmse010489,1
55,covalent,SING,C40,O52,,,,,34232,bmse010489,1
56,covalent,SING,C41,O55,,,,,34232,bmse010489,1
57,covalent,SING,C42,C43,,,,,34232,bmse010489,1
58,covalent,SING,C42,O50,,,,,34232,bmse010489,1
59,covalent,SING,C43,O55,,,,,34232,bmse010489,1
60,covalent,SING,C1,H57,,,,,34232,bmse010489,1
61,covalent,SING,C1,H56,,,,,34232,bmse010489,1
62,covalent,SING,C1,H58,,,,,34232,bmse010489,1
63,covalent,SING,C2,H60,,,,,34232,bmse010489,1
64,covalent,SING,C2,H61,,,,,34232,bmse010489,1
65,covalent,SING,C2,H59,,,,,34232,bmse010489,1
66,covalent,SING,C3,H64,,,,,34232,bmse010489,1
67,covalent,SING,C3,H63,,,,,34232,bmse010489,1
68,covalent,SING,C3,H62,,,,,34232,bmse010489,1
69,covalent,SING,C4,H67,,,,,34232,bmse010489,1
70,covalent,SING,C4,H66,,,,,34232,bmse010489,1
71,covalent,SING,C4,H65,,,,,34232,bmse010489,1
72,covalent,SING,C5,H69,,,,,34232,bmse010489,1
73,covalent,SING,C5,H68,,,,,34232,bmse010489,1
74,covalent,SING,C5,H70,,,,,34232,bmse010489,1
75,covalent,SING,C6,H71,,,,,34232,bmse010489,1
76,covalent,SING,C7,H72,,,,,34232,bmse010489,1
77,covalent,SING,C8,H73,,,,,34232,bmse010489,1
78,covalent,SING,C9,H74,,,,,34232,bmse010489,1
79,covalent,SING,C10,H75,,,,,34232,bmse010489,1
80,covalent,SING,C11,H76,,,,,34232,bmse010489,1
81,covalent,SING,C12,H77,,,,,34232,bmse010489,1
82,covalent,SING,C13,H78,,,,,34232,bmse010489,1
83,covalent,SING,C14,H79,,,,,34232,bmse010489,1
84,covalent,SING,C15,H80,,,,,34232,bmse010489,1
85,covalent,SING,C16,H81,,,,,34232,bmse010489,1
86,covalent,SING,C17,H82,,,,,34232,bmse010489,1
87,covalent,SING,C18,H83,,,,,34232,bmse010489,1
88,covalent,SING,C19,H84,,,,,34232,bmse010489,1
89,covalent,SING,C20,H85,,,,,34232,bmse010489,1
90,covalent,SING,C21,H86,,,,,34232,bmse010489,1
91,covalent,SING,C22,H87,,,,,34232,bmse010489,1
92,covalent,SING,C23,H88,,,,,34232,bmse010489,1
93,covalent,SING,C24,H89,,,,,34232,bmse010489,1
94,covalent,SING,C24,H90,,,,,34232,bmse010489,1
95,covalent,SING,C25,H91,,,,,34232,bmse010489,1
96,covalent,SING,C26,H92,,,,,34232,bmse010489,1
97,covalent,SING,C26,H93,,,,,34232,bmse010489,1
98,covalent,SING,C36,H94,,,,,34232,bmse010489,1
99,covalent,SING,C41,H95,,,,,34232,bmse010489,1
1,covalent,SING,C1,C15,,,,,34252,bmse010490,1
2,covalent,SING,C2,C16,,,,,34252,bmse010490,1
3,covalent,SING,C3,C17,,,,,34252,bmse010490,1
4,covalent,SING,C4,C18,,,,,34252,bmse010490,1
5,covalent,SING,C5,C19,,,,,34252,bmse010490,1
6,covalent,SING,C6,O35,,,,,34252,bmse010490,1
7,covalent,DOUB,C7,C8,,,,,34252,bmse010490,1
8,covalent,SING,C7,C20,,,,,34252,bmse010490,1
9,covalent,SING,C8,C25,,,,,34252,bmse010490,1
10,covalent,SING,C9,C21,,,,,34252,bmse010490,1
11,covalent,SING,C9,C22,,,,,34252,bmse010490,1
12,covalent,DOUB,C10,C20,,,,,34252,bmse010490,1
13,covalent,SING,C10,C27,,,,,34252,bmse010490,1
14,covalent,DOUB,C11,C21,,,,,34252,bmse010490,1
15,covalent,SING,C11,C26,,,,,34252,bmse010490,1
16,covalent,DOUB,C12,C23,,,,,34252,bmse010490,1
17,covalent,SING,C12,C28,,,,,34252,bmse010490,1
18,covalent,SING,C22,C13,,,,,34252,bmse010490,1
19,covalent,SING,C13,O36,,,,,34252,bmse010490,1
20,covalent,SING,C24,C14,,,,,34252,bmse010490,1
21,covalent,SING,C14,O37,,,,,34252,bmse010490,1
22,covalent,DOUB,C15,O30,,,,,34252,bmse010490,1
23,covalent,SING,C15,O36,,,,,34252,bmse010490,1
24,covalent,DOUB,C16,O31,,,,,34252,bmse010490,1
25,covalent,SING,C16,O37,,,,,34252,bmse010490,1
26,covalent,DOUB,C17,O32,,,,,34252,bmse010490,1
27,covalent,SING,C17,O38,,,,,34252,bmse010490,1
28,covalent,DOUB,C18,O33,,,,,34252,bmse010490,1
29,covalent,SING,C18,O39,,,,,34252,bmse010490,1
30,covalent,DOUB,C19,O34,,,,,34252,bmse010490,1
31,covalent,SING,C19,O40,,,,,34252,bmse010490,1
32,covalent,SING,C29,C20,,,,,34252,bmse010490,1
33,covalent,SING,C21,C23,,,,,34252,bmse010490,1
34,covalent,SING,C22,C24,,,,,34252,bmse010490,1
35,covalent,SING,C23,C29,,,,,34252,bmse010490,1
36,covalent,SING,C24,C29,,,,,34252,bmse010490,1
37,covalent,DOUB,C25,C27,,,,,34252,bmse010490,1
38,covalent,SING,C25,O38,,,,,34252,bmse010490,1
39,covalent,DOUB,C26,C28,,,,,34252,bmse010490,1
40,covalent,SING,C26,O35,,,,,34252,bmse010490,1
41,covalent,SING,C27,O39,,,,,34252,bmse010490,1
42,covalent,SING,C28,O40,,,,,34252,bmse010490,1
43,covalent,SING,C1,H41,,,,,34252,bmse010490,1
44,covalent,SING,C1,H43,,,,,34252,bmse010490,1
45,covalent,SING,C1,H42,,,,,34252,bmse010490,1
46,covalent,SING,C2,H44,,,,,34252,bmse010490,1
47,covalent,SING,C2,H46,,,,,34252,bmse010490,1
48,covalent,SING,C2,H45,,,,,34252,bmse010490,1
49,covalent,SING,C3,H49,,,,,34252,bmse010490,1
50,covalent,SING,C3,H48,,,,,34252,bmse010490,1
51,covalent,SING,C3,H47,,,,,34252,bmse010490,1
52,covalent,SING,C4,H50,,,,,34252,bmse010490,1
53,covalent,SING,C4,H51,,,,,34252,bmse010490,1
54,covalent,SING,C4,H52,,,,,34252,bmse010490,1
55,covalent,SING,C5,H53,,,,,34252,bmse010490,1
56,covalent,SING,C5,H54,,,,,34252,bmse010490,1
57,covalent,SING,C5,H55,,,,,34252,bmse010490,1
58,covalent,SING,C6,H57,,,,,34252,bmse010490,1
59,covalent,SING,C6,H56,,,,,34252,bmse010490,1
60,covalent,SING,C6,H58,,,,,34252,bmse010490,1
61,covalent,SING,C7,H59,,,,,34252,bmse010490,1
62,covalent,SING,C8,H60,,,,,34252,bmse010490,1
63,covalent,SING,C9,H61,,,,,34252,bmse010490,1
64,covalent,SING,C9,H62,,,,,34252,bmse010490,1
65,covalent,SING,C10,H63,,,,,34252,bmse010490,1
66,covalent,SING,C11,H64,,,,,34252,bmse010490,1
67,covalent,SING,C12,H65,,,,,34252,bmse010490,1
68,covalent,SING,C13,H66,,,,,34252,bmse010490,1
69,covalent,SING,C13,H67,,,,,34252,bmse010490,1
70,covalent,SING,C14,H68,,,,,34252,bmse010490,1
71,covalent,SING,C14,H69,,,,,34252,bmse010490,1
72,covalent,SING,C22,H70,,,,,34252,bmse010490,1
73,covalent,SING,C24,H71,,,,,34252,bmse010490,1
74,covalent,SING,C29,H72,,,,,34252,bmse010490,1
1,covalent,SING,C1,C20,,,,,34266,bmse010492,1
2,covalent,SING,C2,C21,,,,,34266,bmse010492,1
3,covalent,SING,C3,C22,,,,,34266,bmse010492,1
4,covalent,SING,C4,O38,,,,,34266,bmse010492,1
5,covalent,SING,C5,O39,,,,,34266,bmse010492,1
6,covalent,SING,C6,O40,,,,,34266,bmse010492,1
7,covalent,DOUB,C7,C8,,,,,34266,bmse010492,1
8,covalent,SING,C7,C9,,,,,34266,bmse010492,1
9,covalent,SING,C8,C10,,,,,34266,bmse010492,1
10,covalent,DOUB,C9,C26,,,,,34266,bmse010492,1
11,covalent,DOUB,C10,C27,,,,,34266,bmse010492,1
12,covalent,SING,C11,C14,,,,,34266,bmse010492,1
13,covalent,DOUB,C11,C23,,,,,34266,bmse010492,1
14,covalent,DOUB,C12,C15,,,,,34266,bmse010492,1
15,covalent,SING,C12,C23,,,,,34266,bmse010492,1
16,covalent,DOUB,C13,C16,,,,,34266,bmse010492,1
17,covalent,SING,C13,C23,,,,,34266,bmse010492,1
18,covalent,DOUB,C14,C25,,,,,34266,bmse010492,1
19,covalent,SING,C15,C25,,,,,34266,bmse010492,1
20,covalent,SING,C16,C31,,,,,34266,bmse010492,1
21,covalent,DOUB,C17,C24,,,,,34266,bmse010492,1
22,covalent,SING,C17,C28,,,,,34266,bmse010492,1
23,covalent,SING,C18,C24,,,,,34266,bmse010492,1
24,covalent,DOUB,C18,C29,,,,,34266,bmse010492,1
25,covalent,SING,C19,C30,,,,,34266,bmse010492,1
26,covalent,SING,C19,O41,,,,,34266,bmse010492,1
27,covalent,DOUB,C20,O34,,,,,34266,bmse010492,1
28,covalent,SING,C20,O42,,,,,34266,bmse010492,1
29,covalent,DOUB,C21,O35,,,,,34266,bmse010492,1
30,covalent,SING,C21,O43,,,,,34266,bmse010492,1
31,covalent,DOUB,C22,O36,,,,,34266,bmse010492,1
32,covalent,SING,C22,O44,,,,,34266,bmse010492,1
33,covalent,SING,C24,C32,,,,,34266,bmse010492,1
34,covalent,SING,C25,O42,,,,,34266,bmse010492,1
35,covalent,SING,C26,C27,,,,,34266,bmse010492,1
36,covalent,SING,C26,O38,,,,,34266,bmse010492,1
37,covalent,SING,C27,O45,,,,,34266,bmse010492,1
38,covalent,DOUB,C28,C33,,,,,34266,bmse010492,1
39,covalent,SING,C28,O39,,,,,34266,bmse010492,1
40,covalent,SING,C29,C33,,,,,34266,bmse010492,1
41,covalent,SING,C29,O40,,,,,34266,bmse010492,1
42,covalent,SING,C30,C32,,,,,34266,bmse010492,1
43,covalent,SING,C30,O45,,,,,34266,bmse010492,1
44,covalent,DOUB,C31,O37,,,,,34266,bmse010492,1
45,covalent,SING,C31,O41,,,,,34266,bmse010492,1
46,covalent,SING,C32,O43,,,,,34266,bmse010492,1
47,covalent,SING,C33,O44,,,,,34266,bmse010492,1
48,covalent,SING,C1,H47,,,,,34266,bmse010492,1
49,covalent,SING,C1,H48,,,,,34266,bmse010492,1
50,covalent,SING,C1,H46,,,,,34266,bmse010492,1
51,covalent,SING,C2,H49,,,,,34266,bmse010492,1
52,covalent,SING,C2,H51,,,,,34266,bmse010492,1
53,covalent,SING,C2,H50,,,,,34266,bmse010492,1
54,covalent,SING,C3,H52,,,,,34266,bmse010492,1
55,covalent,SING,C3,H54,,,,,34266,bmse010492,1
56,covalent,SING,C3,H53,,,,,34266,bmse010492,1
57,covalent,SING,C4,H56,,,,,34266,bmse010492,1
58,covalent,SING,C4,H55,,,,,34266,bmse010492,1
59,covalent,SING,C4,H57,,,,,34266,bmse010492,1
60,covalent,SING,C5,H60,,,,,34266,bmse010492,1
61,covalent,SING,C5,H59,,,,,34266,bmse010492,1
62,covalent,SING,C5,H58,,,,,34266,bmse010492,1
63,covalent,SING,C6,H63,,,,,34266,bmse010492,1
64,covalent,SING,C6,H62,,,,,34266,bmse010492,1
65,covalent,SING,C6,H61,,,,,34266,bmse010492,1
66,covalent,SING,C7,H64,,,,,34266,bmse010492,1
67,covalent,SING,C8,H65,,,,,34266,bmse010492,1
68,covalent,SING,C9,H66,,,,,34266,bmse010492,1
69,covalent,SING,C10,H67,,,,,34266,bmse010492,1
70,covalent,SING,C11,H68,,,,,34266,bmse010492,1
71,covalent,SING,C12,H69,,,,,34266,bmse010492,1
72,covalent,SING,C13,H70,,,,,34266,bmse010492,1
73,covalent,SING,C14,H71,,,,,34266,bmse010492,1
74,covalent,SING,C15,H72,,,,,34266,bmse010492,1
75,covalent,SING,C16,H73,,,,,34266,bmse010492,1
76,covalent,SING,C17,H74,,,,,34266,bmse010492,1
77,covalent,SING,C18,H75,,,,,34266,bmse010492,1
78,covalent,SING,C19,H76,,,,,34266,bmse010492,1
79,covalent,SING,C19,H77,,,,,34266,bmse010492,1
80,covalent,SING,C30,H78,,,,,34266,bmse010492,1
81,covalent,SING,C32,H79,,,,,34266,bmse010492,1
1,covalent,SING,C1,O32,,,,,34283,bmse010493,1
2,covalent,SING,C2,O33,,,,,34283,bmse010493,1
3,covalent,SING,C3,O34,,,,,34283,bmse010493,1
4,covalent,DOUB,C4,C5,,,,,34283,bmse010493,1
5,covalent,SING,C4,C6,,,,,34283,bmse010493,1
6,covalent,SING,C5,C7,,,,,34283,bmse010493,1
7,covalent,DOUB,C6,C20,,,,,34283,bmse010493,1
8,covalent,DOUB,C7,C21,,,,,34283,bmse010493,1
9,covalent,SING,C8,C11,,,,,34283,bmse010493,1
10,covalent,DOUB,C8,C17,,,,,34283,bmse010493,1
11,covalent,DOUB,C9,C12,,,,,34283,bmse010493,1
12,covalent,SING,C9,C17,,,,,34283,bmse010493,1
13,covalent,DOUB,C10,C13,,,,,34283,bmse010493,1
14,covalent,SING,C10,C17,,,,,34283,bmse010493,1
15,covalent,DOUB,C11,C19,,,,,34283,bmse010493,1
16,covalent,SING,C12,C19,,,,,34283,bmse010493,1
17,covalent,SING,C13,C25,,,,,34283,bmse010493,1
18,covalent,DOUB,C14,C18,,,,,34283,bmse010493,1
19,covalent,SING,C14,C22,,,,,34283,bmse010493,1
20,covalent,SING,C15,C18,,,,,34283,bmse010493,1
21,covalent,DOUB,C15,C23,,,,,34283,bmse010493,1
22,covalent,SING,C16,C24,,,,,34283,bmse010493,1
23,covalent,SING,C16,O35,,,,,34283,bmse010493,1
24,covalent,SING,C18,C26,,,,,34283,bmse010493,1
25,covalent,SING,C19,O28,,,,,34283,bmse010493,1
26,covalent,SING,C20,C21,,,,,34283,bmse010493,1
27,covalent,SING,C20,O32,,,,,34283,bmse010493,1
28,covalent,SING,C21,O36,,,,,34283,bmse010493,1
29,covalent,DOUB,C22,C27,,,,,34283,bmse010493,1
30,covalent,SING,C22,O33,,,,,34283,bmse010493,1
31,covalent,SING,C23,C27,,,,,34283,bmse010493,1
32,covalent,SING,C23,O34,,,,,34283,bmse010493,1
33,covalent,SING,C24,C26,,,,,34283,bmse010493,1
34,covalent,SING,C24,O36,,,,,34283,bmse010493,1
35,covalent,DOUB,C25,O29,,,,,34283,bmse010493,1
36,covalent,SING,C25,O35,,,,,34283,bmse010493,1
37,covalent,SING,C26,O30,,,,,34283,bmse010493,1
38,covalent,SING,C27,O31,,,,,34283,bmse010493,1
39,covalent,SING,C1,H38,,,,,34283,bmse010493,1
40,covalent,SING,C1,H37,,,,,34283,bmse010493,1
41,covalent,SING,C1,H39,,,,,34283,bmse010493,1
42,covalent,SING,C2,H42,,,,,34283,bmse010493,1
43,covalent,SING,C2,H41,,,,,34283,bmse010493,1
44,covalent,SING,C2,H40,,,,,34283,bmse010493,1
45,covalent,SING,C3,H45,,,,,34283,bmse010493,1
46,covalent,SING,C3,H44,,,,,34283,bmse010493,1
47,covalent,SING,C3,H43,,,,,34283,bmse010493,1
48,covalent,SING,C4,H46,,,,,34283,bmse010493,1
49,covalent,SING,C5,H47,,,,,34283,bmse010493,1
50,covalent,SING,C6,H48,,,,,34283,bmse010493,1
51,covalent,SING,C7,H49,,,,,34283,bmse010493,1
52,covalent,SING,C8,H50,,,,,34283,bmse010493,1
53,covalent,SING,C9,H51,,,,,34283,bmse010493,1
54,covalent,SING,C10,H52,,,,,34283,bmse010493,1
55,covalent,SING,C11,H53,,,,,34283,bmse010493,1
56,covalent,SING,C12,H54,,,,,34283,bmse010493,1
57,covalent,SING,C13,H55,,,,,34283,bmse010493,1
58,covalent,SING,C14,H56,,,,,34283,bmse010493,1
59,covalent,SING,C15,H57,,,,,34283,bmse010493,1
60,covalent,SING,C16,H58,,,,,34283,bmse010493,1
61,covalent,SING,C16,H59,,,,,34283,bmse010493,1
62,covalent,SING,C24,H60,,,,,34283,bmse010493,1
63,covalent,SING,C26,H61,,,,,34283,bmse010493,1
64,covalent,SING,O28,H62,,,,,34283,bmse010493,1
65,covalent,SING,O30,H63,,,,,34283,bmse010493,1
66,covalent,SING,O31,H64,,,,,34283,bmse010493,1
1,covalent,SING,C1,C20,,,,,34303,bmse010494,1
2,covalent,SING,C2,C21,,,,,34303,bmse010494,1
3,covalent,SING,C3,C22,,,,,34303,bmse010494,1
4,covalent,SING,C4,O38,,,,,34303,bmse010494,1
5,covalent,SING,C5,O39,,,,,34303,bmse010494,1
6,covalent,SING,C6,O40,,,,,34303,bmse010494,1
7,covalent,DOUB,C7,C8,,,,,34303,bmse010494,1
8,covalent,SING,C7,C9,,,,,34303,bmse010494,1
9,covalent,SING,C8,C10,,,,,34303,bmse010494,1
10,covalent,DOUB,C9,C26,,,,,34303,bmse010494,1
11,covalent,DOUB,C10,C27,,,,,34303,bmse010494,1
12,covalent,SING,C11,C14,,,,,34303,bmse010494,1
13,covalent,DOUB,C11,C23,,,,,34303,bmse010494,1
14,covalent,DOUB,C12,C15,,,,,34303,bmse010494,1
15,covalent,SING,C12,C23,,,,,34303,bmse010494,1
16,covalent,DOUB,C13,C16,,,,,34303,bmse010494,1
17,covalent,SING,C13,C23,,,,,34303,bmse010494,1
18,covalent,DOUB,C14,C25,,,,,34303,bmse010494,1
19,covalent,SING,C15,C25,,,,,34303,bmse010494,1
20,covalent,SING,C16,C31,,,,,34303,bmse010494,1
21,covalent,DOUB,C17,C24,,,,,34303,bmse010494,1
22,covalent,SING,C17,C28,,,,,34303,bmse010494,1
23,covalent,SING,C18,C24,,,,,34303,bmse010494,1
24,covalent,DOUB,C18,C29,,,,,34303,bmse010494,1
25,covalent,SING,C19,C30,,,,,34303,bmse010494,1
26,covalent,SING,C19,O41,,,,,34303,bmse010494,1
27,covalent,DOUB,C20,O34,,,,,34303,bmse010494,1
28,covalent,SING,C20,O42,,,,,34303,bmse010494,1
29,covalent,DOUB,C21,O35,,,,,34303,bmse010494,1
30,covalent,SING,C21,O43,,,,,34303,bmse010494,1
31,covalent,DOUB,C22,O36,,,,,34303,bmse010494,1
32,covalent,SING,C22,O44,,,,,34303,bmse010494,1
33,covalent,SING,C24,C32,,,,,34303,bmse010494,1
34,covalent,SING,C25,O42,,,,,34303,bmse010494,1
35,covalent,SING,C26,C27,,,,,34303,bmse010494,1
36,covalent,SING,C26,O38,,,,,34303,bmse010494,1
37,covalent,SING,C27,O45,,,,,34303,bmse010494,1
38,covalent,DOUB,C28,C33,,,,,34303,bmse010494,1
39,covalent,SING,C28,O39,,,,,34303,bmse010494,1
40,covalent,SING,C29,C33,,,,,34303,bmse010494,1
41,covalent,SING,C29,O40,,,,,34303,bmse010494,1
42,covalent,SING,C30,C32,,,,,34303,bmse010494,1
43,covalent,SING,C30,O45,,,,,34303,bmse010494,1
44,covalent,DOUB,C31,O37,,,,,34303,bmse010494,1
45,covalent,SING,C31,O41,,,,,34303,bmse010494,1
46,covalent,SING,C32,O43,,,,,34303,bmse010494,1
47,covalent,SING,C33,O44,,,,,34303,bmse010494,1
48,covalent,SING,C1,H47,,,,,34303,bmse010494,1
49,covalent,SING,C1,H48,,,,,34303,bmse010494,1
50,covalent,SING,C1,H46,,,,,34303,bmse010494,1
51,covalent,SING,C2,H49,,,,,34303,bmse010494,1
52,covalent,SING,C2,H50,,,,,34303,bmse010494,1
53,covalent,SING,C2,H51,,,,,34303,bmse010494,1
54,covalent,SING,C3,H53,,,,,34303,bmse010494,1
55,covalent,SING,C3,H54,,,,,34303,bmse010494,1
56,covalent,SING,C3,H52,,,,,34303,bmse010494,1
57,covalent,SING,C4,H56,,,,,34303,bmse010494,1
58,covalent,SING,C4,H55,,,,,34303,bmse010494,1
59,covalent,SING,C4,H57,,,,,34303,bmse010494,1
60,covalent,SING,C5,H59,,,,,34303,bmse010494,1
61,covalent,SING,C5,H60,,,,,34303,bmse010494,1
62,covalent,SING,C5,H58,,,,,34303,bmse010494,1
63,covalent,SING,C6,H61,,,,,34303,bmse010494,1
64,covalent,SING,C6,H62,,,,,34303,bmse010494,1
65,covalent,SING,C6,H63,,,,,34303,bmse010494,1
66,covalent,SING,C7,H64,,,,,34303,bmse010494,1
67,covalent,SING,C8,H65,,,,,34303,bmse010494,1
68,covalent,SING,C9,H66,,,,,34303,bmse010494,1
69,covalent,SING,C10,H67,,,,,34303,bmse010494,1
70,covalent,SING,C11,H68,,,,,34303,bmse010494,1
71,covalent,SING,C12,H69,,,,,34303,bmse010494,1
72,covalent,SING,C13,H70,,,,,34303,bmse010494,1
73,covalent,SING,C14,H71,,,,,34303,bmse010494,1
74,covalent,SING,C15,H72,,,,,34303,bmse010494,1
75,covalent,SING,C16,H73,,,,,34303,bmse010494,1
76,covalent,SING,C17,H74,,,,,34303,bmse010494,1
77,covalent,SING,C18,H75,,,,,34303,bmse010494,1
78,covalent,SING,C19,H76,,,,,34303,bmse010494,1
79,covalent,SING,C19,H77,,,,,34303,bmse010494,1
80,covalent,SING,C30,H78,,,,,34303,bmse010494,1
81,covalent,SING,C32,H79,,,,,34303,bmse010494,1
1,covalent,SING,C1,O32,,,,,34323,bmse010495,1
2,covalent,SING,C2,O33,,,,,34323,bmse010495,1
3,covalent,SING,C3,O34,,,,,34323,bmse010495,1
4,covalent,DOUB,C4,C5,,,,,34323,bmse010495,1
5,covalent,SING,C4,C6,,,,,34323,bmse010495,1
6,covalent,SING,C5,C7,,,,,34323,bmse010495,1
7,covalent,DOUB,C6,C20,,,,,34323,bmse010495,1
8,covalent,DOUB,C7,C21,,,,,34323,bmse010495,1
9,covalent,SING,C8,C11,,,,,34323,bmse010495,1
10,covalent,DOUB,C8,C17,,,,,34323,bmse010495,1
11,covalent,DOUB,C9,C12,,,,,34323,bmse010495,1
12,covalent,SING,C9,C17,,,,,34323,bmse010495,1
13,covalent,DOUB,C10,C13,,,,,34323,bmse010495,1
14,covalent,SING,C10,C17,,,,,34323,bmse010495,1
15,covalent,DOUB,C11,C19,,,,,34323,bmse010495,1
16,covalent,SING,C12,C19,,,,,34323,bmse010495,1
17,covalent,SING,C13,C25,,,,,34323,bmse010495,1
18,covalent,DOUB,C14,C18,,,,,34323,bmse010495,1
19,covalent,SING,C14,C22,,,,,34323,bmse010495,1
20,covalent,SING,C15,C18,,,,,34323,bmse010495,1
21,covalent,DOUB,C15,C23,,,,,34323,bmse010495,1
22,covalent,SING,C16,C24,,,,,34323,bmse010495,1
23,covalent,SING,C16,O35,,,,,34323,bmse010495,1
24,covalent,SING,C18,C26,,,,,34323,bmse010495,1
25,covalent,SING,C19,O28,,,,,34323,bmse010495,1
26,covalent,SING,C20,C21,,,,,34323,bmse010495,1
27,covalent,SING,C20,O32,,,,,34323,bmse010495,1
28,covalent,SING,C21,O36,,,,,34323,bmse010495,1
29,covalent,DOUB,C22,C27,,,,,34323,bmse010495,1
30,covalent,SING,C22,O33,,,,,34323,bmse010495,1
31,covalent,SING,C23,C27,,,,,34323,bmse010495,1
32,covalent,SING,C23,O34,,,,,34323,bmse010495,1
33,covalent,SING,C24,C26,,,,,34323,bmse010495,1
34,covalent,SING,C24,O36,,,,,34323,bmse010495,1
35,covalent,DOUB,C25,O29,,,,,34323,bmse010495,1
36,covalent,SING,C25,O35,,,,,34323,bmse010495,1
37,covalent,SING,C26,O30,,,,,34323,bmse010495,1
38,covalent,SING,C27,O31,,,,,34323,bmse010495,1
39,covalent,SING,C1,H38,,,,,34323,bmse010495,1
40,covalent,SING,C1,H37,,,,,34323,bmse010495,1
41,covalent,SING,C1,H39,,,,,34323,bmse010495,1
42,covalent,SING,C2,H41,,,,,34323,bmse010495,1
43,covalent,SING,C2,H42,,,,,34323,bmse010495,1
44,covalent,SING,C2,H40,,,,,34323,bmse010495,1
45,covalent,SING,C3,H45,,,,,34323,bmse010495,1
46,covalent,SING,C3,H44,,,,,34323,bmse010495,1
47,covalent,SING,C3,H43,,,,,34323,bmse010495,1
48,covalent,SING,C4,H46,,,,,34323,bmse010495,1
49,covalent,SING,C5,H47,,,,,34323,bmse010495,1
50,covalent,SING,C6,H48,,,,,34323,bmse010495,1
51,covalent,SING,C7,H49,,,,,34323,bmse010495,1
52,covalent,SING,C8,H50,,,,,34323,bmse010495,1
53,covalent,SING,C9,H51,,,,,34323,bmse010495,1
54,covalent,SING,C10,H52,,,,,34323,bmse010495,1
55,covalent,SING,C11,H53,,,,,34323,bmse010495,1
56,covalent,SING,C12,H54,,,,,34323,bmse010495,1
57,covalent,SING,C13,H55,,,,,34323,bmse010495,1
58,covalent,SING,C14,H56,,,,,34323,bmse010495,1
59,covalent,SING,C15,H57,,,,,34323,bmse010495,1
60,covalent,SING,C16,H58,,,,,34323,bmse010495,1
61,covalent,SING,C16,H59,,,,,34323,bmse010495,1
62,covalent,SING,C24,H60,,,,,34323,bmse010495,1
63,covalent,SING,C26,H61,,,,,34323,bmse010495,1
64,covalent,SING,O28,H62,,,,,34323,bmse010495,1
65,covalent,SING,O30,H63,,,,,34323,bmse010495,1
66,covalent,SING,O31,H64,,,,,34323,bmse010495,1
1,covalent,SING,C1,C12,,,,,34343,bmse010496,1
2,covalent,SING,C2,O25,,,,,34343,bmse010496,1
3,covalent,SING,C3,O26,,,,,34343,bmse010496,1
4,covalent,SING,C4,O27,,,,,34343,bmse010496,1
5,covalent,SING,C5,O28,,,,,34343,bmse010496,1
6,covalent,DOUB,C6,C7,,,,,34343,bmse010496,1
7,covalent,SING,C6,C8,,,,,34343,bmse010496,1
8,covalent,SING,C7,C14,,,,,34343,bmse010496,1
9,covalent,DOUB,C8,C15,,,,,34343,bmse010496,1
10,covalent,DOUB,C9,C13,,,,,34343,bmse010496,1
11,covalent,SING,C9,C16,,,,,34343,bmse010496,1
12,covalent,SING,C10,C13,,,,,34343,bmse010496,1
13,covalent,DOUB,C10,C17,,,,,34343,bmse010496,1
14,covalent,SING,C11,C18,,,,,34343,bmse010496,1
15,covalent,SING,C11,O22,,,,,34343,bmse010496,1
16,covalent,DOUB,C12,O23,,,,,34343,bmse010496,1
17,covalent,SING,C12,O29,,,,,34343,bmse010496,1
18,covalent,SING,C13,C19,,,,,34343,bmse010496,1
19,covalent,DOUB,C14,C20,,,,,34343,bmse010496,1
20,covalent,SING,C14,O25,,,,,34343,bmse010496,1
21,covalent,SING,C15,C20,,,,,34343,bmse010496,1
22,covalent,SING,C15,O26,,,,,34343,bmse010496,1
23,covalent,DOUB,C16,C21,,,,,34343,bmse010496,1
24,covalent,SING,C16,O27,,,,,34343,bmse010496,1
25,covalent,SING,C17,C21,,,,,34343,bmse010496,1
26,covalent,SING,C17,O28,,,,,34343,bmse010496,1
27,covalent,SING,C18,C19,,,,,34343,bmse010496,1
28,covalent,SING,C18,O30,,,,,34343,bmse010496,1
29,covalent,DOUB,C19,O24,,,,,34343,bmse010496,1
30,covalent,SING,C20,O30,,,,,34343,bmse010496,1
31,covalent,SING,C21,O29,,,,,34343,bmse010496,1
32,covalent,SING,C1,H33,,,,,34343,bmse010496,1
33,covalent,SING,C1,H32,,,,,34343,bmse010496,1
34,covalent,SING,C1,H31,,,,,34343,bmse010496,1
35,covalent,SING,C2,H34,,,,,34343,bmse010496,1
36,covalent,SING,C2,H36,,,,,34343,bmse010496,1
37,covalent,SING,C2,H35,,,,,34343,bmse010496,1
38,covalent,SING,C3,H38,,,,,34343,bmse010496,1
39,covalent,SING,C3,H37,,,,,34343,bmse010496,1
40,covalent,SING,C3,H39,,,,,34343,bmse010496,1
41,covalent,SING,C4,H40,,,,,34343,bmse010496,1
42,covalent,SING,C4,H41,,,,,34343,bmse010496,1
43,covalent,SING,C4,H42,,,,,34343,bmse010496,1
44,covalent,SING,C5,H44,,,,,34343,bmse010496,1
45,covalent,SING,C5,H45,,,,,34343,bmse010496,1
46,covalent,SING,C5,H43,,,,,34343,bmse010496,1
47,covalent,SING,C6,H46,,,,,34343,bmse010496,1
48,covalent,SING,C7,H47,,,,,34343,bmse010496,1
49,covalent,SING,C8,H48,,,,,34343,bmse010496,1
50,covalent,SING,C9,H49,,,,,34343,bmse010496,1
51,covalent,SING,C10,H50,,,,,34343,bmse010496,1
52,covalent,SING,C11,H51,,,,,34343,bmse010496,1
53,covalent,SING,C11,H52,,,,,34343,bmse010496,1
54,covalent,SING,C18,H53,,,,,34343,bmse010496,1
55,covalent,SING,O22,H54,,,,,34343,bmse010496,1
1,covalent,DOUB,C1,C15,,,,,34357,bmse010497,1
2,covalent,SING,C2,C16,,,,,34357,bmse010497,1
3,covalent,SING,C3,C17,,,,,34357,bmse010497,1
4,covalent,SING,C4,C18,,,,,34357,bmse010497,1
5,covalent,SING,C5,O31,,,,,34357,bmse010497,1
6,covalent,SING,C6,O32,,,,,34357,bmse010497,1
7,covalent,DOUB,C7,C9,,,,,34357,bmse010497,1
8,covalent,SING,C7,C19,,,,,34357,bmse010497,1
9,covalent,DOUB,C8,C10,,,,,34357,bmse010497,1
10,covalent,SING,C8,C20,,,,,34357,bmse010497,1
11,covalent,SING,C9,C23,,,,,34357,bmse010497,1
12,covalent,SING,C10,C22,,,,,34357,bmse010497,1
13,covalent,DOUB,C11,C19,,,,,34357,bmse010497,1
14,covalent,SING,C11,C24,,,,,34357,bmse010497,1
15,covalent,DOUB,C12,C20,,,,,34357,bmse010497,1
16,covalent,SING,C12,C25,,,,,34357,bmse010497,1
17,covalent,SING,C13,C15,,,,,34357,bmse010497,1
18,covalent,DOUB,C13,O27,,,,,34357,bmse010497,1
19,covalent,SING,C14,C21,,,,,34357,bmse010497,1
20,covalent,SING,C14,O33,,,,,34357,bmse010497,1
21,covalent,SING,C15,O34,,,,,34357,bmse010497,1
22,covalent,DOUB,C16,O28,,,,,34357,bmse010497,1
23,covalent,SING,C16,O33,,,,,34357,bmse010497,1
24,covalent,DOUB,C17,O29,,,,,34357,bmse010497,1
25,covalent,SING,C17,O35,,,,,34357,bmse010497,1
26,covalent,DOUB,C18,O30,,,,,34357,bmse010497,1
27,covalent,SING,C18,O36,,,,,34357,bmse010497,1
28,covalent,SING,C19,C21,,,,,34357,bmse010497,1
29,covalent,SING,C20,C26,,,,,34357,bmse010497,1
30,covalent,SING,C21,C26,,,,,34357,bmse010497,1
31,covalent,DOUB,C22,C25,,,,,34357,bmse010497,1
32,covalent,SING,C22,O34,,,,,34357,bmse010497,1
33,covalent,DOUB,C23,C24,,,,,34357,bmse010497,1
34,covalent,SING,C23,O35,,,,,34357,bmse010497,1
35,covalent,SING,C24,O31,,,,,34357,bmse010497,1
36,covalent,SING,C25,O32,,,,,34357,bmse010497,1
37,covalent,SING,C26,O36,,,,,34357,bmse010497,1
38,covalent,SING,C1,H37,,,,,34357,bmse010497,1
39,covalent,SING,C1,H38,,,,,34357,bmse010497,1
40,covalent,SING,C2,H39,,,,,34357,bmse010497,1
41,covalent,SING,C2,H40,,,,,34357,bmse010497,1
42,covalent,SING,C2,H41,,,,,34357,bmse010497,1
43,covalent,SING,C3,H42,,,,,34357,bmse010497,1
44,covalent,SING,C3,H43,,,,,34357,bmse010497,1
45,covalent,SING,C3,H44,,,,,34357,bmse010497,1
46,covalent,SING,C4,H45,,,,,34357,bmse010497,1
47,covalent,SING,C4,H46,,,,,34357,bmse010497,1
48,covalent,SING,C4,H47,,,,,34357,bmse010497,1
49,covalent,SING,C5,H48,,,,,34357,bmse010497,1
50,covalent,SING,C5,H49,,,,,34357,bmse010497,1
51,covalent,SING,C5,H50,,,,,34357,bmse010497,1
52,covalent,SING,C6,H51,,,,,34357,bmse010497,1
53,covalent,SING,C6,H52,,,,,34357,bmse010497,1
54,covalent,SING,C6,H53,,,,,34357,bmse010497,1
55,covalent,SING,C7,H54,,,,,34357,bmse010497,1
56,covalent,SING,C8,H55,,,,,34357,bmse010497,1
57,covalent,SING,C9,H56,,,,,34357,bmse010497,1
58,covalent,SING,C10,H57,,,,,34357,bmse010497,1
59,covalent,SING,C11,H58,,,,,34357,bmse010497,1
60,covalent,SING,C12,H59,,,,,34357,bmse010497,1
61,covalent,SING,C13,H60,,,,,34357,bmse010497,1
62,covalent,SING,C14,H61,,,,,34357,bmse010497,1
63,covalent,SING,C14,H62,,,,,34357,bmse010497,1
64,covalent,SING,C21,H63,,,,,34357,bmse010497,1
65,covalent,SING,C26,H64,,,,,34357,bmse010497,1
1,covalent,SING,C1,C25,,,,,34374,bmse010498,1
2,covalent,SING,C2,C26,,,,,34374,bmse010498,1
3,covalent,SING,C3,C27,,,,,34374,bmse010498,1
4,covalent,SING,C4,C28,,,,,34374,bmse010498,1
5,covalent,SING,C5,C29,,,,,34374,bmse010498,1
6,covalent,SING,C6,C30,,,,,34374,bmse010498,1
7,covalent,SING,C7,O53,,,,,34374,bmse010498,1
8,covalent,SING,C8,O54,,,,,34374,bmse010498,1
9,covalent,SING,C9,O55,,,,,34374,bmse010498,1
10,covalent,SING,C10,O56,,,,,34374,bmse010498,1
11,covalent,DOUB,C11,C13,,,,,34374,bmse010498,1
12,covalent,SING,C11,C15,,,,,34374,bmse010498,1
13,covalent,DOUB,C12,C14,,,,,34374,bmse010498,1
14,covalent,SING,C12,C16,,,,,34374,bmse010498,1
15,covalent,SING,C13,C17,,,,,34374,bmse010498,1
16,covalent,SING,C14,C18,,,,,34374,bmse010498,1
17,covalent,DOUB,C15,C35,,,,,34374,bmse010498,1
18,covalent,DOUB,C16,C36,,,,,34374,bmse010498,1
19,covalent,DOUB,C17,C37,,,,,34374,bmse010498,1
20,covalent,DOUB,C18,C38,,,,,34374,bmse010498,1
21,covalent,DOUB,C19,C31,,,,,34374,bmse010498,1
22,covalent,SING,C19,C33,,,,,34374,bmse010498,1
23,covalent,DOUB,C20,C32,,,,,34374,bmse010498,1
24,covalent,SING,C20,C34,,,,,34374,bmse010498,1
25,covalent,SING,C21,C31,,,,,34374,bmse010498,1
26,covalent,DOUB,C21,C39,,,,,34374,bmse010498,1
27,covalent,SING,C22,C32,,,,,34374,bmse010498,1
28,covalent,DOUB,C22,C40,,,,,34374,bmse010498,1
29,covalent,SING,C23,C41,,,,,34374,bmse010498,1
30,covalent,SING,C23,O57,,,,,34374,bmse010498,1
31,covalent,SING,C24,C42,,,,,34374,bmse010498,1
32,covalent,SING,C24,O58,,,,,34374,bmse010498,1
33,covalent,DOUB,C25,O47,,,,,34374,bmse010498,1
34,covalent,SING,C25,O57,,,,,34374,bmse010498,1
35,covalent,DOUB,C26,O48,,,,,34374,bmse010498,1
36,covalent,SING,C26,O58,,,,,34374,bmse010498,1
37,covalent,DOUB,C27,O49,,,,,34374,bmse010498,1
38,covalent,SING,C27,O59,,,,,34374,bmse010498,1
39,covalent,DOUB,C28,O50,,,,,34374,bmse010498,1
40,covalent,SING,C28,O60,,,,,34374,bmse010498,1
41,covalent,DOUB,C29,O51,,,,,34374,bmse010498,1
42,covalent,SING,C29,O61,,,,,34374,bmse010498,1
43,covalent,DOUB,C30,O52,,,,,34374,bmse010498,1
44,covalent,SING,C30,O62,,,,,34374,bmse010498,1
45,covalent,SING,C31,C43,,,,,34374,bmse010498,1
46,covalent,SING,C32,C44,,,,,34374,bmse010498,1
47,covalent,SING,C33,C34,,,,,34374,bmse010498,1
48,covalent,DOUB,C33,C45,,,,,34374,bmse010498,1
49,covalent,DOUB,C34,C46,,,,,34374,bmse010498,1
50,covalent,SING,C35,C37,,,,,34374,bmse010498,1
51,covalent,SING,C35,O53,,,,,34374,bmse010498,1
52,covalent,SING,C36,C38,,,,,34374,bmse010498,1
53,covalent,SING,C36,O54,,,,,34374,bmse010498,1
54,covalent,SING,C37,O63,,,,,34374,bmse010498,1
55,covalent,SING,C38,O64,,,,,34374,bmse010498,1
56,covalent,SING,C39,C45,,,,,34374,bmse010498,1
57,covalent,SING,C39,O55,,,,,34374,bmse010498,1
58,covalent,SING,C40,C46,,,,,34374,bmse010498,1
59,covalent,SING,C40,O56,,,,,34374,bmse010498,1
60,covalent,SING,C41,C43,,,,,34374,bmse010498,1
61,covalent,SING,C41,O63,,,,,34374,bmse010498,1
62,covalent,SING,C42,C44,,,,,34374,bmse010498,1
63,covalent,SING,C42,O64,,,,,34374,bmse010498,1
64,covalent,SING,C43,O59,,,,,34374,bmse010498,1
65,covalent,SING,C44,O60,,,,,34374,bmse010498,1
66,covalent,SING,C45,O61,,,,,34374,bmse010498,1
67,covalent,SING,C46,O62,,,,,34374,bmse010498,1
68,covalent,SING,C1,H65,,,,,34374,bmse010498,1
69,covalent,SING,C1,H67,,,,,34374,bmse010498,1
70,covalent,SING,C1,H66,,,,,34374,bmse010498,1
71,covalent,SING,C2,H70,,,,,34374,bmse010498,1
72,covalent,SING,C2,H68,,,,,34374,bmse010498,1
73,covalent,SING,C2,H69,,,,,34374,bmse010498,1
74,covalent,SING,C3,H73,,,,,34374,bmse010498,1
75,covalent,SING,C3,H72,,,,,34374,bmse010498,1
76,covalent,SING,C3,H71,,,,,34374,bmse010498,1
77,covalent,SING,C4,H74,,,,,34374,bmse010498,1
78,covalent,SING,C4,H75,,,,,34374,bmse010498,1
79,covalent,SING,C4,H76,,,,,34374,bmse010498,1
80,covalent,SING,C5,H78,,,,,34374,bmse010498,1
81,covalent,SING,C5,H77,,,,,34374,bmse010498,1
82,covalent,SING,C5,H79,,,,,34374,bmse010498,1
83,covalent,SING,C6,H81,,,,,34374,bmse010498,1
84,covalent,SING,C6,H82,,,,,34374,bmse010498,1
85,covalent,SING,C6,H80,,,,,34374,bmse010498,1
86,covalent,SING,C7,H85,,,,,34374,bmse010498,1
87,covalent,SING,C7,H83,,,,,34374,bmse010498,1
88,covalent,SING,C7,H84,,,,,34374,bmse010498,1
89,covalent,SING,C8,H86,,,,,34374,bmse010498,1
90,covalent,SING,C8,H88,,,,,34374,bmse010498,1
91,covalent,SING,C8,H87,,,,,34374,bmse010498,1
92,covalent,SING,C9,H90,,,,,34374,bmse010498,1
93,covalent,SING,C9,H89,,,,,34374,bmse010498,1
94,covalent,SING,C9,H91,,,,,34374,bmse010498,1
95,covalent,SING,C10,H93,,,,,34374,bmse010498,1
96,covalent,SING,C10,H94,,,,,34374,bmse010498,1
97,covalent,SING,C10,H92,,,,,34374,bmse010498,1
98,covalent,SING,C11,H95,,,,,34374,bmse010498,1
99,covalent,SING,C12,H96,,,,,34374,bmse010498,1
100,covalent,SING,C13,H97,,,,,34374,bmse010498,1
101,covalent,SING,C14,H98,,,,,34374,bmse010498,1
102,covalent,SING,C15,H99,,,,,34374,bmse010498,1
103,covalent,SING,C16,H100,,,,,34374,bmse010498,1
104,covalent,SING,C17,H101,,,,,34374,bmse010498,1
105,covalent,SING,C18,H102,,,,,34374,bmse010498,1
106,covalent,SING,C19,H103,,,,,34374,bmse010498,1
107,covalent,SING,C20,H104,,,,,34374,bmse010498,1
108,covalent,SING,C21,H105,,,,,34374,bmse010498,1
109,covalent,SING,C22,H106,,,,,34374,bmse010498,1
110,covalent,SING,C23,H107,,,,,34374,bmse010498,1
111,covalent,SING,C23,H108,,,,,34374,bmse010498,1
112,covalent,SING,C24,H109,,,,,34374,bmse010498,1
113,covalent,SING,C24,H110,,,,,34374,bmse010498,1
114,covalent,SING,C41,H111,,,,,34374,bmse010498,1
115,covalent,SING,C42,H112,,,,,34374,bmse010498,1
116,covalent,SING,C43,H113,,,,,34374,bmse010498,1
117,covalent,SING,C44,H114,,,,,34374,bmse010498,1
1,covalent,SING,C1,C21,,,,,34388,bmse010499,1
2,covalent,SING,C2,C22,,,,,34388,bmse010499,1
3,covalent,SING,C3,C23,,,,,34388,bmse010499,1
4,covalent,SING,C4,C24,,,,,34388,bmse010499,1
5,covalent,SING,C5,C25,,,,,34388,bmse010499,1
6,covalent,SING,C6,C26,,,,,34388,bmse010499,1
7,covalent,SING,C7,O46,,,,,34388,bmse010499,1
8,covalent,SING,C8,O47,,,,,34388,bmse010499,1
9,covalent,SING,C9,O48,,,,,34388,bmse010499,1
10,covalent,DOUB,C10,C13,,,,,34388,bmse010499,1
11,covalent,SING,C10,C27,,,,,34388,bmse010499,1
12,covalent,DOUB,C11,C15,,,,,34388,bmse010499,1
13,covalent,SING,C11,C28,,,,,34388,bmse010499,1
14,covalent,DOUB,C12,C14,,,,,34388,bmse010499,1
15,covalent,SING,C12,C29,,,,,34388,bmse010499,1
16,covalent,SING,C13,C31,,,,,34388,bmse010499,1
17,covalent,SING,C14,C32,,,,,34388,bmse010499,1
18,covalent,SING,C15,C33,,,,,34388,bmse010499,1
19,covalent,DOUB,C16,C27,,,,,34388,bmse010499,1
20,covalent,SING,C16,C34,,,,,34388,bmse010499,1
21,covalent,DOUB,C17,C28,,,,,34388,bmse010499,1
22,covalent,SING,C17,C36,,,,,34388,bmse010499,1
23,covalent,DOUB,C18,C29,,,,,34388,bmse010499,1
24,covalent,SING,C18,C35,,,,,34388,bmse010499,1
25,covalent,SING,C19,C30,,,,,34388,bmse010499,1
26,covalent,SING,C19,O49,,,,,34388,bmse010499,1
27,covalent,SING,C20,C37,,,,,34388,bmse010499,1
28,covalent,SING,C20,O50,,,,,34388,bmse010499,1
29,covalent,DOUB,C21,O40,,,,,34388,bmse010499,1
30,covalent,SING,C21,O49,,,,,34388,bmse010499,1
31,covalent,DOUB,C22,O41,,,,,34388,bmse010499,1
32,covalent,SING,C22,O50,,,,,34388,bmse010499,1
33,covalent,DOUB,C23,O42,,,,,34388,bmse010499,1
34,covalent,SING,C23,O51,,,,,34388,bmse010499,1
35,covalent,DOUB,C24,O43,,,,,34388,bmse010499,1
36,covalent,SING,C24,O52,,,,,34388,bmse010499,1
37,covalent,DOUB,C25,O44,,,,,34388,bmse010499,1
38,covalent,SING,C25,O53,,,,,34388,bmse010499,1
39,covalent,DOUB,C26,O45,,,,,34388,bmse010499,1
40,covalent,SING,C26,O54,,,,,34388,bmse010499,1
41,covalent,SING,C27,C30,,,,,34388,bmse010499,1
42,covalent,SING,C28,C38,,,,,34388,bmse010499,1
43,covalent,SING,C29,C39,,,,,34388,bmse010499,1
44,covalent,SING,C30,C38,,,,,34388,bmse010499,1
45,covalent,DOUB,C31,C34,,,,,34388,bmse010499,1
46,covalent,SING,C31,O51,,,,,34388,bmse010499,1
47,covalent,DOUB,C32,C35,,,,,34388,bmse010499,1
48,covalent,SING,C32,O52,,,,,34388,bmse010499,1
49,covalent,DOUB,C33,C36,,,,,34388,bmse010499,1
50,covalent,SING,C33,O55,,,,,34388,bmse010499,1
51,covalent,SING,C34,O46,,,,,34388,bmse010499,1
52,covalent,SING,C35,O47,,,,,34388,bmse010499,1
53,covalent,SING,C36,O48,,,,,34388,bmse010499,1
54,covalent,SING,C37,C39,,,,,34388,bmse010499,1
55,covalent,SING,C37,O55,,,,,34388,bmse010499,1
56,covalent,SING,C38,O53,,,,,34388,bmse010499,1
57,covalent,SING,C39,O54,,,,,34388,bmse010499,1
58,covalent,SING,C1,H58,,,,,34388,bmse010499,1
59,covalent,SING,C1,H57,,,,,34388,bmse010499,1
60,covalent,SING,C1,H56,,,,,34388,bmse010499,1
61,covalent,SING,C2,H60,,,,,34388,bmse010499,1
62,covalent,SING,C2,H59,,,,,34388,bmse010499,1
63,covalent,SING,C2,H61,,,,,34388,bmse010499,1
64,covalent,SING,C3,H63,,,,,34388,bmse010499,1
65,covalent,SING,C3,H62,,,,,34388,bmse010499,1
66,covalent,SING,C3,H64,,,,,34388,bmse010499,1
67,covalent,SING,C4,H67,,,,,34388,bmse010499,1
68,covalent,SING,C4,H66,,,,,34388,bmse010499,1
69,covalent,SING,C4,H65,,,,,34388,bmse010499,1
70,covalent,SING,C5,H69,,,,,34388,bmse010499,1
71,covalent,SING,C5,H68,,,,,34388,bmse010499,1
72,covalent,SING,C5,H70,,,,,34388,bmse010499,1
73,covalent,SING,C6,H72,,,,,34388,bmse010499,1
74,covalent,SING,C6,H71,,,,,34388,bmse010499,1
75,covalent,SING,C6,H73,,,,,34388,bmse010499,1
76,covalent,SING,C7,H75,,,,,34388,bmse010499,1
77,covalent,SING,C7,H76,,,,,34388,bmse010499,1
78,covalent,SING,C7,H74,,,,,34388,bmse010499,1
79,covalent,SING,C8,H78,,,,,34388,bmse010499,1
80,covalent,SING,C8,H79,,,,,34388,bmse010499,1
81,covalent,SING,C8,H77,,,,,34388,bmse010499,1
82,covalent,SING,C9,H82,,,,,34388,bmse010499,1
83,covalent,SING,C9,H80,,,,,34388,bmse010499,1
84,covalent,SING,C9,H81,,,,,34388,bmse010499,1
85,covalent,SING,C10,H83,,,,,34388,bmse010499,1
86,covalent,SING,C11,H84,,,,,34388,bmse010499,1
87,covalent,SING,C12,H85,,,,,34388,bmse010499,1
88,covalent,SING,C13,H86,,,,,34388,bmse010499,1
89,covalent,SING,C14,H87,,,,,34388,bmse010499,1
90,covalent,SING,C15,H88,,,,,34388,bmse010499,1
91,covalent,SING,C16,H89,,,,,34388,bmse010499,1
92,covalent,SING,C17,H90,,,,,34388,bmse010499,1
93,covalent,SING,C18,H91,,,,,34388,bmse010499,1
94,covalent,SING,C19,H92,,,,,34388,bmse010499,1
95,covalent,SING,C19,H93,,,,,34388,bmse010499,1
96,covalent,SING,C20,H94,,,,,34388,bmse010499,1
97,covalent,SING,C20,H95,,,,,34388,bmse010499,1
98,covalent,SING,C30,H96,,,,,34388,bmse010499,1
99,covalent,SING,C37,H97,,,,,34388,bmse010499,1
100,covalent,SING,C38,H98,,,,,34388,bmse010499,1
101,covalent,SING,C39,H99,,,,,34388,bmse010499,1
1,covalent,SING,C1,C22,,,,,34402,bmse010502,1
2,covalent,SING,C2,O38,,,,,34402,bmse010502,1
3,covalent,SING,C3,O39,,,,,34402,bmse010502,1
4,covalent,SING,C4,O40,,,,,34402,bmse010502,1
5,covalent,SING,C5,O41,,,,,34402,bmse010502,1
6,covalent,SING,C6,O42,,,,,34402,bmse010502,1
7,covalent,SING,C7,C13,,,,,34402,bmse010502,1
8,covalent,DOUB,C7,C23,,,,,34402,bmse010502,1
9,covalent,DOUB,C8,C14,,,,,34402,bmse010502,1
10,covalent,SING,C8,C23,,,,,34402,bmse010502,1
11,covalent,DOUB,C9,C15,,,,,34402,bmse010502,1
12,covalent,SING,C9,C24,,,,,34402,bmse010502,1
13,covalent,DOUB,C10,C17,,,,,34402,bmse010502,1
14,covalent,SING,C10,C23,,,,,34402,bmse010502,1
15,covalent,DOUB,C11,C18,,,,,34402,bmse010502,1
16,covalent,SING,C11,C24,,,,,34402,bmse010502,1
17,covalent,DOUB,C12,C16,,,,,34402,bmse010502,1
18,covalent,SING,C12,C25,,,,,34402,bmse010502,1
19,covalent,DOUB,C13,C26,,,,,34402,bmse010502,1
20,covalent,SING,C14,C26,,,,,34402,bmse010502,1
21,covalent,SING,C15,C28,,,,,34402,bmse010502,1
22,covalent,SING,C16,C27,,,,,34402,bmse010502,1
23,covalent,SING,C17,C32,,,,,34402,bmse010502,1
24,covalent,SING,C18,C33,,,,,34402,bmse010502,1
25,covalent,DOUB,C19,C24,,,,,34402,bmse010502,1
26,covalent,SING,C19,C29,,,,,34402,bmse010502,1
27,covalent,DOUB,C20,C25,,,,,34402,bmse010502,1
28,covalent,SING,C20,C30,,,,,34402,bmse010502,1
29,covalent,SING,C21,C31,,,,,34402,bmse010502,1
30,covalent,SING,C21,O43,,,,,34402,bmse010502,1
31,covalent,DOUB,C22,O35,,,,,34402,bmse010502,1
32,covalent,SING,C22,O43,,,,,34402,bmse010502,1
33,covalent,SING,C25,C34,,,,,34402,bmse010502,1
34,covalent,SING,C26,O44,,,,,34402,bmse010502,1
35,covalent,DOUB,C27,C30,,,,,34402,bmse010502,1
36,covalent,SING,C27,O38,,,,,34402,bmse010502,1
37,covalent,DOUB,C28,C29,,,,,34402,bmse010502,1
38,covalent,SING,C28,O45,,,,,34402,bmse010502,1
39,covalent,SING,C29,O39,,,,,34402,bmse010502,1
40,covalent,SING,C30,O40,,,,,34402,bmse010502,1
41,covalent,SING,C31,C34,,,,,34402,bmse010502,1
42,covalent,SING,C31,O45,,,,,34402,bmse010502,1
43,covalent,DOUB,C32,O36,,,,,34402,bmse010502,1
44,covalent,SING,C32,O41,,,,,34402,bmse010502,1
45,covalent,DOUB,C33,O37,,,,,34402,bmse010502,1
46,covalent,SING,C33,O42,,,,,34402,bmse010502,1
47,covalent,SING,C34,O44,,,,,34402,bmse010502,1
48,covalent,SING,C1,H48,,,,,34402,bmse010502,1
49,covalent,SING,C1,H46,,,,,34402,bmse010502,1
50,covalent,SING,C1,H47,,,,,34402,bmse010502,1
51,covalent,SING,C2,H51,,,,,34402,bmse010502,1
52,covalent,SING,C2,H49,,,,,34402,bmse010502,1
53,covalent,SING,C2,H50,,,,,34402,bmse010502,1
54,covalent,SING,C3,H53,,,,,34402,bmse010502,1
55,covalent,SING,C3,H52,,,,,34402,bmse010502,1
56,covalent,SING,C3,H54,,,,,34402,bmse010502,1
57,covalent,SING,C4,H55,,,,,34402,bmse010502,1
58,covalent,SING,C4,H57,,,,,34402,bmse010502,1
59,covalent,SING,C4,H56,,,,,34402,bmse010502,1
60,covalent,SING,C5,H59,,,,,34402,bmse010502,1
61,covalent,SING,C5,H58,,,,,34402,bmse010502,1
62,covalent,SING,C5,H60,,,,,34402,bmse010502,1
63,covalent,SING,C6,H61,,,,,34402,bmse010502,1
64,covalent,SING,C6,H62,,,,,34402,bmse010502,1
65,covalent,SING,C6,H63,,,,,34402,bmse010502,1
66,covalent,SING,C7,H64,,,,,34402,bmse010502,1
67,covalent,SING,C8,H65,,,,,34402,bmse010502,1
68,covalent,SING,C9,H66,,,,,34402,bmse010502,1
69,covalent,SING,C10,H67,,,,,34402,bmse010502,1
70,covalent,SING,C11,H68,,,,,34402,bmse010502,1
71,covalent,SING,C12,H69,,,,,34402,bmse010502,1
72,covalent,SING,C13,H70,,,,,34402,bmse010502,1
73,covalent,SING,C14,H71,,,,,34402,bmse010502,1
74,covalent,SING,C15,H72,,,,,34402,bmse010502,1
75,covalent,SING,C16,H73,,,,,34402,bmse010502,1
76,covalent,SING,C17,H74,,,,,34402,bmse010502,1
77,covalent,SING,C18,H75,,,,,34402,bmse010502,1
78,covalent,SING,C19,H76,,,,,34402,bmse010502,1
79,covalent,SING,C20,H77,,,,,34402,bmse010502,1
80,covalent,SING,C21,H78,,,,,34402,bmse010502,1
81,covalent,SING,C21,H79,,,,,34402,bmse010502,1
82,covalent,SING,C31,H80,,,,,34402,bmse010502,1
83,covalent,SING,C34,H81,,,,,34402,bmse010502,1
1,covalent,SING,C1,C15,,,,,34416,bmse010504,1
2,covalent,SING,C2,C16,,,,,34416,bmse010504,1
3,covalent,SING,C3,O24,,,,,34416,bmse010504,1
4,covalent,DOUB,C4,C5,,,,,34416,bmse010504,1
5,covalent,SING,C4,C6,,,,,34416,bmse010504,1
6,covalent,SING,C5,C7,,,,,34416,bmse010504,1
7,covalent,DOUB,C6,C8,,,,,34416,bmse010504,1
8,covalent,DOUB,C7,C17,,,,,34416,bmse010504,1
9,covalent,SING,C8,C17,,,,,34416,bmse010504,1
10,covalent,DOUB,C9,C10,,,,,34416,bmse010504,1
11,covalent,SING,C9,C18,,,,,34416,bmse010504,1
12,covalent,SING,C10,C20,,,,,34416,bmse010504,1
13,covalent,SING,C11,C12,,,,,34416,bmse010504,1
14,covalent,SING,C11,C19,,,,,34416,bmse010504,1
15,covalent,SING,C12,O25,,,,,34416,bmse010504,1
16,covalent,DOUB,C13,C18,,,,,34416,bmse010504,1
17,covalent,SING,C13,C21,,,,,34416,bmse010504,1
18,covalent,SING,C14,C17,,,,,34416,bmse010504,1
19,covalent,SING,C14,O26,,,,,34416,bmse010504,1
20,covalent,DOUB,C15,O22,,,,,34416,bmse010504,1
21,covalent,SING,C15,O25,,,,,34416,bmse010504,1
22,covalent,DOUB,C16,O23,,,,,34416,bmse010504,1
23,covalent,SING,C16,O27,,,,,34416,bmse010504,1
24,covalent,SING,C18,C19,,,,,34416,bmse010504,1
25,covalent,SING,C19,O27,,,,,34416,bmse010504,1
26,covalent,DOUB,C20,C21,,,,,34416,bmse010504,1
27,covalent,SING,C20,O26,,,,,34416,bmse010504,1
28,covalent,SING,C21,O24,,,,,34416,bmse010504,1
29,covalent,SING,C1,H30,,,,,34416,bmse010504,1
30,covalent,SING,C1,H29,,,,,34416,bmse010504,1
31,covalent,SING,C1,H28,,,,,34416,bmse010504,1
32,covalent,SING,C2,H32,,,,,34416,bmse010504,1
33,covalent,SING,C2,H31,,,,,34416,bmse010504,1
34,covalent,SING,C2,H33,,,,,34416,bmse010504,1
35,covalent,SING,C3,H36,,,,,34416,bmse010504,1
36,covalent,SING,C3,H35,,,,,34416,bmse010504,1
37,covalent,SING,C3,H34,,,,,34416,bmse010504,1
38,covalent,SING,C4,H37,,,,,34416,bmse010504,1
39,covalent,SING,C5,H38,,,,,34416,bmse010504,1
40,covalent,SING,C6,H39,,,,,34416,bmse010504,1
41,covalent,SING,C7,H40,,,,,34416,bmse010504,1
42,covalent,SING,C8,H41,,,,,34416,bmse010504,1
43,covalent,SING,C9,H42,,,,,34416,bmse010504,1
44,covalent,SING,C10,H43,,,,,34416,bmse010504,1
45,covalent,SING,C11,H44,,,,,34416,bmse010504,1
46,covalent,SING,C11,H45,,,,,34416,bmse010504,1
47,covalent,SING,C12,H46,,,,,34416,bmse010504,1
48,covalent,SING,C12,H47,,,,,34416,bmse010504,1
49,covalent,SING,C13,H48,,,,,34416,bmse010504,1
50,covalent,SING,C14,H49,,,,,34416,bmse010504,1
51,covalent,SING,C14,H50,,,,,34416,bmse010504,1
52,covalent,SING,C19,H51,,,,,34416,bmse010504,1
1,covalent,SING,C1,O25,,,,,34430,bmse010505,1
2,covalent,SING,C2,O26,,,,,34430,bmse010505,1
3,covalent,DOUB,C3,C4,,,,,34430,bmse010505,1
4,covalent,SING,C3,C9,,,,,34430,bmse010505,1
5,covalent,SING,C4,C14,,,,,34430,bmse010505,1
6,covalent,DOUB,C5,C7,,,,,34430,bmse010505,1
7,covalent,SING,C5,C13,,,,,34430,bmse010505,1
8,covalent,DOUB,C6,C8,,,,,34430,bmse010505,1
9,covalent,SING,C6,C14,,,,,34430,bmse010505,1
10,covalent,SING,C7,C16,,,,,34430,bmse010505,1
11,covalent,SING,C8,C17,,,,,34430,bmse010505,1
12,covalent,DOUB,C9,O21,,,,,34430,bmse010505,1
13,covalent,SING,C10,C13,,,,,34430,bmse010505,1
14,covalent,DOUB,C10,C15,,,,,34430,bmse010505,1
15,covalent,DOUB,C11,C13,,,,,34430,bmse010505,1
16,covalent,SING,C11,C18,,,,,34430,bmse010505,1
17,covalent,SING,C12,C15,,,,,34430,bmse010505,1
18,covalent,DOUB,C12,O22,,,,,34430,bmse010505,1
19,covalent,DOUB,C14,C19,,,,,34430,bmse010505,1
20,covalent,SING,C15,C19,,,,,34430,bmse010505,1
21,covalent,DOUB,C16,C18,,,,,34430,bmse010505,1
22,covalent,SING,C16,O23,,,,,34430,bmse010505,1
23,covalent,DOUB,C17,C20,,,,,34430,bmse010505,1
24,covalent,SING,C17,O25,,,,,34430,bmse010505,1
25,covalent,SING,C18,O26,,,,,34430,bmse010505,1
26,covalent,SING,C19,C20,,,,,34430,bmse010505,1
27,covalent,SING,C20,O24,,,,,34430,bmse010505,1
28,covalent,SING,C1,H27,,,,,34430,bmse010505,1
29,covalent,SING,C1,H28,,,,,34430,bmse010505,1
30,covalent,SING,C1,H29,,,,,34430,bmse010505,1
31,covalent,SING,C2,H30,,,,,34430,bmse010505,1
32,covalent,SING,C2,H31,,,,,34430,bmse010505,1
33,covalent,SING,C2,H32,,,,,34430,bmse010505,1
34,covalent,SING,C3,H33,,,,,34430,bmse010505,1
35,covalent,SING,C4,H34,,,,,34430,bmse010505,1
36,covalent,SING,C5,H35,,,,,34430,bmse010505,1
37,covalent,SING,C6,H36,,,,,34430,bmse010505,1
38,covalent,SING,C7,H37,,,,,34430,bmse010505,1
39,covalent,SING,C8,H38,,,,,34430,bmse010505,1
40,covalent,SING,C9,H39,,,,,34430,bmse010505,1
41,covalent,SING,C10,H40,,,,,34430,bmse010505,1
42,covalent,SING,C11,H41,,,,,34430,bmse010505,1
43,covalent,SING,C12,H42,,,,,34430,bmse010505,1
44,covalent,SING,O23,H43,,,,,34430,bmse010505,1
45,covalent,SING,O24,H44,,,,,34430,bmse010505,1
1,covalent,SING,C1,O25,,,,,34444,bmse010506,1
2,covalent,SING,C2,O26,,,,,34444,bmse010506,1
3,covalent,DOUB,C3,C5,,,,,34444,bmse010506,1
4,covalent,SING,C3,C13,,,,,34444,bmse010506,1
5,covalent,DOUB,C4,C6,,,,,34444,bmse010506,1
6,covalent,SING,C4,C14,,,,,34444,bmse010506,1
7,covalent,SING,C5,C17,,,,,34444,bmse010506,1
8,covalent,SING,C6,C18,,,,,34444,bmse010506,1
9,covalent,SING,C7,C13,,,,,34444,bmse010506,1
10,covalent,DOUB,C7,C15,,,,,34444,bmse010506,1
11,covalent,SING,C8,C14,,,,,34444,bmse010506,1
12,covalent,DOUB,C8,C16,,,,,34444,bmse010506,1
13,covalent,DOUB,C9,C13,,,,,34444,bmse010506,1
14,covalent,SING,C9,C19,,,,,34444,bmse010506,1
15,covalent,DOUB,C10,C14,,,,,34444,bmse010506,1
16,covalent,SING,C10,C20,,,,,34444,bmse010506,1
17,covalent,SING,C11,C15,,,,,34444,bmse010506,1
18,covalent,DOUB,C11,O21,,,,,34444,bmse010506,1
19,covalent,SING,C12,C16,,,,,34444,bmse010506,1
20,covalent,DOUB,C12,O22,,,,,34444,bmse010506,1
21,covalent,SING,C15,C16,,,,,34444,bmse010506,1
22,covalent,DOUB,C17,C19,,,,,34444,bmse010506,1
23,covalent,SING,C17,O23,,,,,34444,bmse010506,1
24,covalent,DOUB,C18,C20,,,,,34444,bmse010506,1
25,covalent,SING,C18,O24,,,,,34444,bmse010506,1
26,covalent,SING,C19,O25,,,,,34444,bmse010506,1
27,covalent,SING,C20,O26,,,,,34444,bmse010506,1
28,covalent,SING,C1,H28,,,,,34444,bmse010506,1
29,covalent,SING,C1,H29,,,,,34444,bmse010506,1
30,covalent,SING,C1,H27,,,,,34444,bmse010506,1
31,covalent,SING,C2,H31,,,,,34444,bmse010506,1
32,covalent,SING,C2,H32,,,,,34444,bmse010506,1
33,covalent,SING,C2,H30,,,,,34444,bmse010506,1
34,covalent,SING,C3,H33,,,,,34444,bmse010506,1
35,covalent,SING,C4,H34,,,,,34444,bmse010506,1
36,covalent,SING,C5,H35,,,,,34444,bmse010506,1
37,covalent,SING,C6,H36,,,,,34444,bmse010506,1
38,covalent,SING,C7,H37,,,,,34444,bmse010506,1
39,covalent,SING,C8,H38,,,,,34444,bmse010506,1
40,covalent,SING,C9,H39,,,,,34444,bmse010506,1
41,covalent,SING,C10,H40,,,,,34444,bmse010506,1
42,covalent,SING,C11,H41,,,,,34444,bmse010506,1
43,covalent,SING,C12,H42,,,,,34444,bmse010506,1
44,covalent,SING,O23,H43,,,,,34444,bmse010506,1
45,covalent,SING,O24,H44,,,,,34444,bmse010506,1
1,covalent,SING,C1,O21,,,,,34458,bmse010507,1
2,covalent,SING,C2,O22,,,,,34458,bmse010507,1
3,covalent,SING,C3,O23,,,,,34458,bmse010507,1
4,covalent,DOUB,C4,C5,,,,,34458,bmse010507,1
5,covalent,SING,C4,C6,,,,,34458,bmse010507,1
6,covalent,SING,C5,C15,,,,,34458,bmse010507,1
7,covalent,DOUB,C6,C16,,,,,34458,bmse010507,1
8,covalent,DOUB,C7,C8,,,,,34458,bmse010507,1
9,covalent,SING,C7,C12,,,,,34458,bmse010507,1
10,covalent,SING,C8,C14,,,,,34458,bmse010507,1
11,covalent,SING,C9,C12,,,,,34458,bmse010507,1
12,covalent,DOUB,C9,C13,,,,,34458,bmse010507,1
13,covalent,DOUB,C10,C12,,,,,34458,bmse010507,1
14,covalent,SING,C10,C17,,,,,34458,bmse010507,1
15,covalent,SING,C11,C13,,,,,34458,bmse010507,1
16,covalent,DOUB,C11,O19,,,,,34458,bmse010507,1
17,covalent,SING,C13,O24,,,,,34458,bmse010507,1
18,covalent,DOUB,C14,C17,,,,,34458,bmse010507,1
19,covalent,SING,C14,O20,,,,,34458,bmse010507,1
20,covalent,DOUB,C15,C18,,,,,34458,bmse010507,1
21,covalent,SING,C15,O21,,,,,34458,bmse010507,1
22,covalent,SING,C16,C18,,,,,34458,bmse010507,1
23,covalent,SING,C16,O22,,,,,34458,bmse010507,1
24,covalent,SING,C17,O23,,,,,34458,bmse010507,1
25,covalent,SING,C18,O24,,,,,34458,bmse010507,1
26,covalent,SING,C1,H25,,,,,34458,bmse010507,1
27,covalent,SING,C1,H26,,,,,34458,bmse010507,1
28,covalent,SING,C1,H27,,,,,34458,bmse010507,1
29,covalent,SING,C2,H29,,,,,34458,bmse010507,1
30,covalent,SING,C2,H30,,,,,34458,bmse010507,1
31,covalent,SING,C2,H28,,,,,34458,bmse010507,1
32,covalent,SING,C3,H33,,,,,34458,bmse010507,1
33,covalent,SING,C3,H32,,,,,34458,bmse010507,1
34,covalent,SING,C3,H31,,,,,34458,bmse010507,1
35,covalent,SING,C4,H34,,,,,34458,bmse010507,1
36,covalent,SING,C5,H35,,,,,34458,bmse010507,1
37,covalent,SING,C6,H36,,,,,34458,bmse010507,1
38,covalent,SING,C7,H37,,,,,34458,bmse010507,1
39,covalent,SING,C8,H38,,,,,34458,bmse010507,1
40,covalent,SING,C9,H39,,,,,34458,bmse010507,1
41,covalent,SING,C10,H40,,,,,34458,bmse010507,1
42,covalent,SING,C11,H41,,,,,34458,bmse010507,1
43,covalent,SING,O20,H42,,,,,34458,bmse010507,1
1,covalent,SING,C1,C4,,,,,34472,bmse010508,1
2,covalent,SING,C2,C5,,,,,34472,bmse010508,1
3,covalent,SING,C3,O16,,,,,34472,bmse010508,1
4,covalent,SING,C4,S17,,,,,34472,bmse010508,1
5,covalent,SING,C5,S18,,,,,34472,bmse010508,1
6,covalent,DOUB,C6,C9,,,,,34472,bmse010508,1
7,covalent,SING,C6,C12,,,,,34472,bmse010508,1
8,covalent,SING,C7,C9,,,,,34472,bmse010508,1
9,covalent,SING,C7,C13,,,,,34472,bmse010508,1
10,covalent,DOUB,C8,C10,,,,,34472,bmse010508,1
11,covalent,SING,C8,C11,,,,,34472,bmse010508,1
12,covalent,SING,C9,C10,,,,,34472,bmse010508,1
13,covalent,SING,C10,C14,,,,,34472,bmse010508,1
14,covalent,DOUB,C11,C12,,,,,34472,bmse010508,1
15,covalent,SING,C11,O15,,,,,34472,bmse010508,1
16,covalent,SING,C12,O16,,,,,34472,bmse010508,1
17,covalent,DOUB,C13,C14,,,,,34472,bmse010508,1
18,covalent,SING,C13,S17,,,,,34472,bmse010508,1
19,covalent,SING,C14,S18,,,,,34472,bmse010508,1
20,covalent,SING,C1,H20,,,,,34472,bmse010508,1
21,covalent,SING,C1,H21,,,,,34472,bmse010508,1
22,covalent,SING,C1,H19,,,,,34472,bmse010508,1
23,covalent,SING,C2,H22,,,,,34472,bmse010508,1
24,covalent,SING,C2,H23,,,,,34472,bmse010508,1
25,covalent,SING,C2,H24,,,,,34472,bmse010508,1
26,covalent,SING,C3,H26,,,,,34472,bmse010508,1
27,covalent,SING,C3,H27,,,,,34472,bmse010508,1
28,covalent,SING,C3,H25,,,,,34472,bmse010508,1
29,covalent,SING,C4,H28,,,,,34472,bmse010508,1
30,covalent,SING,C4,H29,,,,,34472,bmse010508,1
31,covalent,SING,C5,H30,,,,,34472,bmse010508,1
32,covalent,SING,C5,H31,,,,,34472,bmse010508,1
33,covalent,SING,C6,H32,,,,,34472,bmse010508,1
34,covalent,SING,C7,H33,,,,,34472,bmse010508,1
35,covalent,SING,C7,H34,,,,,34472,bmse010508,1
36,covalent,SING,C8,H35,,,,,34472,bmse010508,1
37,covalent,SING,O15,H36,,,,,34472,bmse010508,1
1,covalent,SING,C1,C5,,,,,34486,bmse010509,1
2,covalent,SING,C2,O30,,,,,34486,bmse010509,1
3,covalent,SING,C3,O31,,,,,34486,bmse010509,1
4,covalent,SING,C4,O32,,,,,34486,bmse010509,1
5,covalent,SING,C5,O33,,,,,34486,bmse010509,1
6,covalent,DOUB,C6,C7,,,,,34486,bmse010509,1
7,covalent,SING,C6,C8,,,,,34486,bmse010509,1
8,covalent,SING,C7,C10,,,,,34486,bmse010509,1
9,covalent,DOUB,C8,C11,,,,,34486,bmse010509,1
10,covalent,DOUB,C9,C12,,,,,34486,bmse010509,1
11,covalent,SING,C9,C13,,,,,34486,bmse010509,1
12,covalent,DOUB,C10,C18,,,,,34486,bmse010509,1
13,covalent,SING,C11,C18,,,,,34486,bmse010509,1
14,covalent,SING,C12,C21,,,,,34486,bmse010509,1
15,covalent,DOUB,C13,C22,,,,,34486,bmse010509,1
16,covalent,DOUB,C14,C15,,,,,34486,bmse010509,1
17,covalent,SING,C14,C19,,,,,34486,bmse010509,1
18,covalent,SING,C15,C20,,,,,34486,bmse010509,1
19,covalent,DOUB,C16,C19,,,,,34486,bmse010509,1
20,covalent,SING,C16,C23,,,,,34486,bmse010509,1
21,covalent,SING,C17,C18,,,,,34486,bmse010509,1
22,covalent,SING,C17,O34,,,,,34486,bmse010509,1
23,covalent,SING,C19,C24,,,,,34486,bmse010509,1
24,covalent,DOUB,C20,C23,,,,,34486,bmse010509,1
25,covalent,SING,C20,O34,,,,,34486,bmse010509,1
26,covalent,DOUB,C21,C25,,,,,34486,bmse010509,1
27,covalent,SING,C21,O30,,,,,34486,bmse010509,1
28,covalent,SING,C22,C25,,,,,34486,bmse010509,1
29,covalent,SING,C22,O31,,,,,34486,bmse010509,1
30,covalent,SING,C23,O32,,,,,34486,bmse010509,1
31,covalent,SING,C24,C26,,,,,34486,bmse010509,1
32,covalent,SING,C24,O28,,,,,34486,bmse010509,1
33,covalent,SING,C25,O35,,,,,34486,bmse010509,1
34,covalent,SING,C26,C27,,,,,34486,bmse010509,1
35,covalent,SING,C26,O35,,,,,34486,bmse010509,1
36,covalent,DOUB,C27,O29,,,,,34486,bmse010509,1
37,covalent,SING,C27,O33,,,,,34486,bmse010509,1
38,covalent,SING,C1,H36,,,,,34486,bmse010509,1
39,covalent,SING,C1,H37,,,,,34486,bmse010509,1
40,covalent,SING,C1,H38,,,,,34486,bmse010509,1
41,covalent,SING,C2,H39,,,,,34486,bmse010509,1
42,covalent,SING,C2,H40,,,,,34486,bmse010509,1
43,covalent,SING,C2,H41,,,,,34486,bmse010509,1
44,covalent,SING,C3,H42,,,,,34486,bmse010509,1
45,covalent,SING,C3,H43,,,,,34486,bmse010509,1
46,covalent,SING,C3,H44,,,,,34486,bmse010509,1
47,covalent,SING,C4,H45,,,,,34486,bmse010509,1
48,covalent,SING,C4,H46,,,,,34486,bmse010509,1
49,covalent,SING,C4,H47,,,,,34486,bmse010509,1
50,covalent,SING,C5,H48,,,,,34486,bmse010509,1
51,covalent,SING,C5,H49,,,,,34486,bmse010509,1
52,covalent,SING,C6,H50,,,,,34486,bmse010509,1
53,covalent,SING,C7,H51,,,,,34486,bmse010509,1
54,covalent,SING,C8,H52,,,,,34486,bmse010509,1
55,covalent,SING,C9,H53,,,,,34486,bmse010509,1
56,covalent,SING,C10,H54,,,,,34486,bmse010509,1
57,covalent,SING,C11,H55,,,,,34486,bmse010509,1
58,covalent,SING,C12,H56,,,,,34486,bmse010509,1
59,covalent,SING,C13,H57,,,,,34486,bmse010509,1
60,covalent,SING,C14,H58,,,,,34486,bmse010509,1
61,covalent,SING,C15,H59,,,,,34486,bmse010509,1
62,covalent,SING,C16,H60,,,,,34486,bmse010509,1
63,covalent,SING,C17,H61,,,,,34486,bmse010509,1
64,covalent,SING,C17,H62,,,,,34486,bmse010509,1
65,covalent,SING,C24,H63,,,,,34486,bmse010509,1
66,covalent,SING,C26,H64,,,,,34486,bmse010509,1
67,covalent,SING,O28,H65,,,,,34486,bmse010509,1
1,covalent,SING,C1,C5,,,,,34500,bmse010510,1
2,covalent,SING,C2,O30,,,,,34500,bmse010510,1
3,covalent,SING,C3,O31,,,,,34500,bmse010510,1
4,covalent,SING,C4,O32,,,,,34500,bmse010510,1
5,covalent,SING,C5,O33,,,,,34500,bmse010510,1
6,covalent,DOUB,C6,C7,,,,,34500,bmse010510,1
7,covalent,SING,C6,C8,,,,,34500,bmse010510,1
8,covalent,SING,C7,C10,,,,,34500,bmse010510,1
9,covalent,DOUB,C8,C11,,,,,34500,bmse010510,1
10,covalent,DOUB,C9,C12,,,,,34500,bmse010510,1
11,covalent,SING,C9,C13,,,,,34500,bmse010510,1
12,covalent,DOUB,C10,C18,,,,,34500,bmse010510,1
13,covalent,SING,C11,C18,,,,,34500,bmse010510,1
14,covalent,SING,C12,C21,,,,,34500,bmse010510,1
15,covalent,DOUB,C13,C22,,,,,34500,bmse010510,1
16,covalent,DOUB,C14,C15,,,,,34500,bmse010510,1
17,covalent,SING,C14,C19,,,,,34500,bmse010510,1
18,covalent,SING,C15,C20,,,,,34500,bmse010510,1
19,covalent,DOUB,C16,C19,,,,,34500,bmse010510,1
20,covalent,SING,C16,C23,,,,,34500,bmse010510,1
21,covalent,SING,C17,C18,,,,,34500,bmse010510,1
22,covalent,SING,C17,O34,,,,,34500,bmse010510,1
23,covalent,SING,C19,C24,,,,,34500,bmse010510,1
24,covalent,DOUB,C20,C23,,,,,34500,bmse010510,1
25,covalent,SING,C20,O34,,,,,34500,bmse010510,1
26,covalent,DOUB,C21,C25,,,,,34500,bmse010510,1
27,covalent,SING,C21,O30,,,,,34500,bmse010510,1
28,covalent,SING,C22,C25,,,,,34500,bmse010510,1
29,covalent,SING,C22,O31,,,,,34500,bmse010510,1
30,covalent,SING,C23,O32,,,,,34500,bmse010510,1
31,covalent,SING,C24,C26,,,,,34500,bmse010510,1
32,covalent,SING,C24,O28,,,,,34500,bmse010510,1
33,covalent,SING,C25,O35,,,,,34500,bmse010510,1
34,covalent,SING,C26,C27,,,,,34500,bmse010510,1
35,covalent,SING,C26,O35,,,,,34500,bmse010510,1
36,covalent,DOUB,C27,O29,,,,,34500,bmse010510,1
37,covalent,SING,C27,O33,,,,,34500,bmse010510,1
38,covalent,SING,C1,H38,,,,,34500,bmse010510,1
39,covalent,SING,C1,H37,,,,,34500,bmse010510,1
40,covalent,SING,C1,H36,,,,,34500,bmse010510,1
41,covalent,SING,C2,H40,,,,,34500,bmse010510,1
42,covalent,SING,C2,H41,,,,,34500,bmse010510,1
43,covalent,SING,C2,H39,,,,,34500,bmse010510,1
44,covalent,SING,C3,H43,,,,,34500,bmse010510,1
45,covalent,SING,C3,H42,,,,,34500,bmse010510,1
46,covalent,SING,C3,H44,,,,,34500,bmse010510,1
47,covalent,SING,C4,H45,,,,,34500,bmse010510,1
48,covalent,SING,C4,H46,,,,,34500,bmse010510,1
49,covalent,SING,C4,H47,,,,,34500,bmse010510,1
50,covalent,SING,C5,H48,,,,,34500,bmse010510,1
51,covalent,SING,C5,H49,,,,,34500,bmse010510,1
52,covalent,SING,C6,H50,,,,,34500,bmse010510,1
53,covalent,SING,C7,H51,,,,,34500,bmse010510,1
54,covalent,SING,C8,H52,,,,,34500,bmse010510,1
55,covalent,SING,C9,H53,,,,,34500,bmse010510,1
56,covalent,SING,C10,H54,,,,,34500,bmse010510,1
57,covalent,SING,C11,H55,,,,,34500,bmse010510,1
58,covalent,SING,C12,H56,,,,,34500,bmse010510,1
59,covalent,SING,C13,H57,,,,,34500,bmse010510,1
60,covalent,SING,C14,H58,,,,,34500,bmse010510,1
61,covalent,SING,C15,H59,,,,,34500,bmse010510,1
62,covalent,SING,C16,H60,,,,,34500,bmse010510,1
63,covalent,SING,C17,H61,,,,,34500,bmse010510,1
64,covalent,SING,C17,H62,,,,,34500,bmse010510,1
65,covalent,SING,C24,H63,,,,,34500,bmse010510,1
66,covalent,SING,C26,H64,,,,,34500,bmse010510,1
67,covalent,SING,O28,H65,,,,,34500,bmse010510,1
1,covalent,SING,C1,C5,,,,,34514,bmse010511,1
2,covalent,SING,C2,O30,,,,,34514,bmse010511,1
3,covalent,SING,C3,O31,,,,,34514,bmse010511,1
4,covalent,SING,C4,O32,,,,,34514,bmse010511,1
5,covalent,SING,C5,O33,,,,,34514,bmse010511,1
6,covalent,DOUB,C6,C7,,,,,34514,bmse010511,1
7,covalent,SING,C6,C8,,,,,34514,bmse010511,1
8,covalent,SING,C7,C11,,,,,34514,bmse010511,1
9,covalent,DOUB,C8,C12,,,,,34514,bmse010511,1
10,covalent,DOUB,C9,C10,,,,,34514,bmse010511,1
11,covalent,SING,C9,C13,,,,,34514,bmse010511,1
12,covalent,SING,C10,C14,,,,,34514,bmse010511,1
13,covalent,DOUB,C11,C18,,,,,34514,bmse010511,1
14,covalent,SING,C12,C18,,,,,34514,bmse010511,1
15,covalent,DOUB,C13,C20,,,,,34514,bmse010511,1
16,covalent,DOUB,C14,C21,,,,,34514,bmse010511,1
17,covalent,DOUB,C15,C19,,,,,34514,bmse010511,1
18,covalent,SING,C15,C22,,,,,34514,bmse010511,1
19,covalent,SING,C16,C19,,,,,34514,bmse010511,1
20,covalent,DOUB,C16,C23,,,,,34514,bmse010511,1
21,covalent,SING,C17,C18,,,,,34514,bmse010511,1
22,covalent,SING,C17,O34,,,,,34514,bmse010511,1
23,covalent,SING,C19,C24,,,,,34514,bmse010511,1
24,covalent,SING,C20,C21,,,,,34514,bmse010511,1
25,covalent,SING,C20,O30,,,,,34514,bmse010511,1
26,covalent,SING,C21,O35,,,,,34514,bmse010511,1
27,covalent,DOUB,C22,C25,,,,,34514,bmse010511,1
28,covalent,SING,C22,O31,,,,,34514,bmse010511,1
29,covalent,SING,C23,C25,,,,,34514,bmse010511,1
30,covalent,SING,C23,O32,,,,,34514,bmse010511,1
31,covalent,SING,C24,C26,,,,,34514,bmse010511,1
32,covalent,SING,C24,O28,,,,,34514,bmse010511,1
33,covalent,SING,C25,O34,,,,,34514,bmse010511,1
34,covalent,SING,C26,C27,,,,,34514,bmse010511,1
35,covalent,SING,C26,O35,,,,,34514,bmse010511,1
36,covalent,DOUB,C27,O29,,,,,34514,bmse010511,1
37,covalent,SING,C27,O33,,,,,34514,bmse010511,1
38,covalent,SING,C1,H38,,,,,34514,bmse010511,1
39,covalent,SING,C1,H37,,,,,34514,bmse010511,1
40,covalent,SING,C1,H36,,,,,34514,bmse010511,1
41,covalent,SING,C2,H40,,,,,34514,bmse010511,1
42,covalent,SING,C2,H39,,,,,34514,bmse010511,1
43,covalent,SING,C2,H41,,,,,34514,bmse010511,1
44,covalent,SING,C3,H44,,,,,34514,bmse010511,1
45,covalent,SING,C3,H42,,,,,34514,bmse010511,1
46,covalent,SING,C3,H43,,,,,34514,bmse010511,1
47,covalent,SING,C4,H45,,,,,34514,bmse010511,1
48,covalent,SING,C4,H46,,,,,34514,bmse010511,1
49,covalent,SING,C4,H47,,,,,34514,bmse010511,1
50,covalent,SING,C5,H48,,,,,34514,bmse010511,1
51,covalent,SING,C5,H49,,,,,34514,bmse010511,1
52,covalent,SING,C6,H50,,,,,34514,bmse010511,1
53,covalent,SING,C7,H51,,,,,34514,bmse010511,1
54,covalent,SING,C8,H52,,,,,34514,bmse010511,1
55,covalent,SING,C9,H53,,,,,34514,bmse010511,1
56,covalent,SING,C10,H54,,,,,34514,bmse010511,1
57,covalent,SING,C11,H55,,,,,34514,bmse010511,1
58,covalent,SING,C12,H56,,,,,34514,bmse010511,1
59,covalent,SING,C13,H57,,,,,34514,bmse010511,1
60,covalent,SING,C14,H58,,,,,34514,bmse010511,1
61,covalent,SING,C15,H59,,,,,34514,bmse010511,1
62,covalent,SING,C16,H60,,,,,34514,bmse010511,1
63,covalent,SING,C17,H61,,,,,34514,bmse010511,1
64,covalent,SING,C17,H62,,,,,34514,bmse010511,1
65,covalent,SING,C24,H63,,,,,34514,bmse010511,1
66,covalent,SING,C26,H64,,,,,34514,bmse010511,1
67,covalent,SING,O28,H65,,,,,34514,bmse010511,1
1,covalent,SING,C1,C5,,,,,34528,bmse010512,1
2,covalent,SING,C2,O30,,,,,34528,bmse010512,1
3,covalent,SING,C3,O31,,,,,34528,bmse010512,1
4,covalent,SING,C4,O32,,,,,34528,bmse010512,1
5,covalent,SING,C5,O33,,,,,34528,bmse010512,1
6,covalent,DOUB,C6,C7,,,,,34528,bmse010512,1
7,covalent,SING,C6,C8,,,,,34528,bmse010512,1
8,covalent,SING,C7,C11,,,,,34528,bmse010512,1
9,covalent,DOUB,C8,C12,,,,,34528,bmse010512,1
10,covalent,DOUB,C9,C10,,,,,34528,bmse010512,1
11,covalent,SING,C9,C13,,,,,34528,bmse010512,1
12,covalent,SING,C10,C14,,,,,34528,bmse010512,1
13,covalent,DOUB,C11,C18,,,,,34528,bmse010512,1
14,covalent,SING,C12,C18,,,,,34528,bmse010512,1
15,covalent,DOUB,C13,C20,,,,,34528,bmse010512,1
16,covalent,DOUB,C14,C21,,,,,34528,bmse010512,1
17,covalent,DOUB,C15,C19,,,,,34528,bmse010512,1
18,covalent,SING,C15,C22,,,,,34528,bmse010512,1
19,covalent,SING,C16,C19,,,,,34528,bmse010512,1
20,covalent,DOUB,C16,C23,,,,,34528,bmse010512,1
21,covalent,SING,C17,C18,,,,,34528,bmse010512,1
22,covalent,SING,C17,O34,,,,,34528,bmse010512,1
23,covalent,SING,C19,C24,,,,,34528,bmse010512,1
24,covalent,SING,C20,C21,,,,,34528,bmse010512,1
25,covalent,SING,C20,O30,,,,,34528,bmse010512,1
26,covalent,SING,C21,O35,,,,,34528,bmse010512,1
27,covalent,DOUB,C22,C25,,,,,34528,bmse010512,1
28,covalent,SING,C22,O31,,,,,34528,bmse010512,1
29,covalent,SING,C23,C25,,,,,34528,bmse010512,1
30,covalent,SING,C23,O32,,,,,34528,bmse010512,1
31,covalent,SING,C24,C26,,,,,34528,bmse010512,1
32,covalent,SING,C24,O28,,,,,34528,bmse010512,1
33,covalent,SING,C25,O34,,,,,34528,bmse010512,1
34,covalent,SING,C26,C27,,,,,34528,bmse010512,1
35,covalent,SING,C26,O35,,,,,34528,bmse010512,1
36,covalent,DOUB,C27,O29,,,,,34528,bmse010512,1
37,covalent,SING,C27,O33,,,,,34528,bmse010512,1
38,covalent,SING,C1,H36,,,,,34528,bmse010512,1
39,covalent,SING,C1,H37,,,,,34528,bmse010512,1
40,covalent,SING,C1,H38,,,,,34528,bmse010512,1
41,covalent,SING,C2,H39,,,,,34528,bmse010512,1
42,covalent,SING,C2,H40,,,,,34528,bmse010512,1
43,covalent,SING,C2,H41,,,,,34528,bmse010512,1
44,covalent,SING,C3,H42,,,,,34528,bmse010512,1
45,covalent,SING,C3,H43,,,,,34528,bmse010512,1
46,covalent,SING,C3,H44,,,,,34528,bmse010512,1
47,covalent,SING,C4,H45,,,,,34528,bmse010512,1
48,covalent,SING,C4,H46,,,,,34528,bmse010512,1
49,covalent,SING,C4,H47,,,,,34528,bmse010512,1
50,covalent,SING,C5,H48,,,,,34528,bmse010512,1
51,covalent,SING,C5,H49,,,,,34528,bmse010512,1
52,covalent,SING,C6,H50,,,,,34528,bmse010512,1
53,covalent,SING,C7,H51,,,,,34528,bmse010512,1
54,covalent,SING,C8,H52,,,,,34528,bmse010512,1
55,covalent,SING,C9,H53,,,,,34528,bmse010512,1
56,covalent,SING,C10,H54,,,,,34528,bmse010512,1
57,covalent,SING,C11,H55,,,,,34528,bmse010512,1
58,covalent,SING,C12,H56,,,,,34528,bmse010512,1
59,covalent,SING,C13,H57,,,,,34528,bmse010512,1
60,covalent,SING,C14,H58,,,,,34528,bmse010512,1
61,covalent,SING,C15,H59,,,,,34528,bmse010512,1
62,covalent,SING,C16,H60,,,,,34528,bmse010512,1
63,covalent,SING,C17,H61,,,,,34528,bmse010512,1
64,covalent,SING,C17,H62,,,,,34528,bmse010512,1
65,covalent,SING,C24,H63,,,,,34528,bmse010512,1
66,covalent,SING,C26,H64,,,,,34528,bmse010512,1
67,covalent,SING,O28,H65,,,,,34528,bmse010512,1
1,covalent,SING,C1,O21,,,,,34542,bmse010514,1
2,covalent,SING,C2,O22,,,,,34542,bmse010514,1
3,covalent,SING,C3,O23,,,,,34542,bmse010514,1
4,covalent,DOUB,C4,C5,,,,,34542,bmse010514,1
5,covalent,SING,C4,C6,,,,,34542,bmse010514,1
6,covalent,SING,C5,C7,,,,,34542,bmse010514,1
7,covalent,DOUB,C6,C14,,,,,34542,bmse010514,1
8,covalent,DOUB,C7,C15,,,,,34542,bmse010514,1
9,covalent,SING,C8,C12,,,,,34542,bmse010514,1
10,covalent,DOUB,C8,C13,,,,,34542,bmse010514,1
11,covalent,DOUB,C9,C12,,,,,34542,bmse010514,1
12,covalent,SING,C9,C16,,,,,34542,bmse010514,1
13,covalent,SING,C10,C12,,,,,34542,bmse010514,1
14,covalent,DOUB,C10,C17,,,,,34542,bmse010514,1
15,covalent,SING,C11,C13,,,,,34542,bmse010514,1
16,covalent,SING,C11,O19,,,,,34542,bmse010514,1
17,covalent,SING,C13,O24,,,,,34542,bmse010514,1
18,covalent,SING,C14,C15,,,,,34542,bmse010514,1
19,covalent,SING,C14,O21,,,,,34542,bmse010514,1
20,covalent,SING,C15,O24,,,,,34542,bmse010514,1
21,covalent,DOUB,C16,C18,,,,,34542,bmse010514,1
22,covalent,SING,C16,O22,,,,,34542,bmse010514,1
23,covalent,SING,C17,C18,,,,,34542,bmse010514,1
24,covalent,SING,C17,O23,,,,,34542,bmse010514,1
25,covalent,SING,C18,O20,,,,,34542,bmse010514,1
26,covalent,SING,C1,H26,,,,,34542,bmse010514,1
27,covalent,SING,C1,H25,,,,,34542,bmse010514,1
28,covalent,SING,C1,H27,,,,,34542,bmse010514,1
29,covalent,SING,C2,H28,,,,,34542,bmse010514,1
30,covalent,SING,C2,H30,,,,,34542,bmse010514,1
31,covalent,SING,C2,H29,,,,,34542,bmse010514,1
32,covalent,SING,C3,H33,,,,,34542,bmse010514,1
33,covalent,SING,C3,H32,,,,,34542,bmse010514,1
34,covalent,SING,C3,H31,,,,,34542,bmse010514,1
35,covalent,SING,C4,H34,,,,,34542,bmse010514,1
36,covalent,SING,C5,H35,,,,,34542,bmse010514,1
37,covalent,SING,C6,H36,,,,,34542,bmse010514,1
38,covalent,SING,C7,H37,,,,,34542,bmse010514,1
39,covalent,SING,C8,H38,,,,,34542,bmse010514,1
40,covalent,SING,C9,H39,,,,,34542,bmse010514,1
41,covalent,SING,C10,H40,,,,,34542,bmse010514,1
42,covalent,SING,C11,H41,,,,,34542,bmse010514,1
43,covalent,SING,C11,H42,,,,,34542,bmse010514,1
44,covalent,SING,O19,H43,,,,,34542,bmse010514,1
45,covalent,SING,O20,H44,,,,,34542,bmse010514,1
1,covalent,SING,C1,O27,,,,,34556,bmse010515,1
2,covalent,SING,C2,O28,,,,,34556,bmse010515,1
3,covalent,SING,C3,O29,,,,,34556,bmse010515,1
4,covalent,SING,C4,O30,,,,,34556,bmse010515,1
5,covalent,SING,C5,C13,,,,,34556,bmse010515,1
6,covalent,DOUB,C5,C15,,,,,34556,bmse010515,1
7,covalent,SING,C6,C14,,,,,34556,bmse010515,1
8,covalent,DOUB,C6,C16,,,,,34556,bmse010515,1
9,covalent,DOUB,C7,C13,,,,,34556,bmse010515,1
10,covalent,SING,C7,C17,,,,,34556,bmse010515,1
11,covalent,SING,C8,C13,,,,,34556,bmse010515,1
12,covalent,DOUB,C8,C18,,,,,34556,bmse010515,1
13,covalent,DOUB,C9,C14,,,,,34556,bmse010515,1
14,covalent,SING,C9,C19,,,,,34556,bmse010515,1
15,covalent,SING,C10,C14,,,,,34556,bmse010515,1
16,covalent,DOUB,C10,C20,,,,,34556,bmse010515,1
17,covalent,SING,C11,C15,,,,,34556,bmse010515,1
18,covalent,DOUB,C11,O23,,,,,34556,bmse010515,1
19,covalent,SING,C12,C16,,,,,34556,bmse010515,1
20,covalent,DOUB,C12,O24,,,,,34556,bmse010515,1
21,covalent,SING,C15,C16,,,,,34556,bmse010515,1
22,covalent,DOUB,C17,C21,,,,,34556,bmse010515,1
23,covalent,SING,C17,O27,,,,,34556,bmse010515,1
24,covalent,SING,C18,C21,,,,,34556,bmse010515,1
25,covalent,SING,C18,O28,,,,,34556,bmse010515,1
26,covalent,DOUB,C19,C22,,,,,34556,bmse010515,1
27,covalent,SING,C19,O29,,,,,34556,bmse010515,1
28,covalent,SING,C20,C22,,,,,34556,bmse010515,1
29,covalent,SING,C20,O30,,,,,34556,bmse010515,1
30,covalent,SING,C21,O25,,,,,34556,bmse010515,1
31,covalent,SING,C22,O26,,,,,34556,bmse010515,1
32,covalent,SING,C1,H31,,,,,34556,bmse010515,1
33,covalent,SING,C1,H33,,,,,34556,bmse010515,1
34,covalent,SING,C1,H32,,,,,34556,bmse010515,1
35,covalent,SING,C2,H35,,,,,34556,bmse010515,1
36,covalent,SING,C2,H34,,,,,34556,bmse010515,1
37,covalent,SING,C2,H36,,,,,34556,bmse010515,1
38,covalent,SING,C3,H38,,,,,34556,bmse010515,1
39,covalent,SING,C3,H39,,,,,34556,bmse010515,1
40,covalent,SING,C3,H37,,,,,34556,bmse010515,1
41,covalent,SING,C4,H42,,,,,34556,bmse010515,1
42,covalent,SING,C4,H40,,,,,34556,bmse010515,1
43,covalent,SING,C4,H41,,,,,34556,bmse010515,1
44,covalent,SING,C5,H43,,,,,34556,bmse010515,1
45,covalent,SING,C6,H44,,,,,34556,bmse010515,1
46,covalent,SING,C7,H45,,,,,34556,bmse010515,1
47,covalent,SING,C8,H46,,,,,34556,bmse010515,1
48,covalent,SING,C9,H47,,,,,34556,bmse010515,1
49,covalent,SING,C10,H48,,,,,34556,bmse010515,1
50,covalent,SING,C11,H49,,,,,34556,bmse010515,1
51,covalent,SING,C12,H50,,,,,34556,bmse010515,1
52,covalent,SING,O25,H51,,,,,34556,bmse010515,1
53,covalent,SING,O26,H52,,,,,34556,bmse010515,1
1,covalent,SING,C1,O37,,,,,34570,bmse010516,1
2,covalent,SING,C2,O38,,,,,34570,bmse010516,1
3,covalent,SING,C3,O39,,,,,34570,bmse010516,1
4,covalent,SING,C4,O40,,,,,34570,bmse010516,1
5,covalent,DOUB,C5,C6,,,,,34570,bmse010516,1
6,covalent,SING,C5,C9,,,,,34570,bmse010516,1
7,covalent,SING,C6,C17,,,,,34570,bmse010516,1
8,covalent,DOUB,C7,C8,,,,,34570,bmse010516,1
9,covalent,SING,C7,C18,,,,,34570,bmse010516,1
10,covalent,SING,C8,C22,,,,,34570,bmse010516,1
11,covalent,SING,C9,O32,,,,,34570,bmse010516,1
12,covalent,DOUB,C10,C17,,,,,34570,bmse010516,1
13,covalent,SING,C10,C20,,,,,34570,bmse010516,1
14,covalent,SING,C11,C17,,,,,34570,bmse010516,1
15,covalent,DOUB,C11,C26,,,,,34570,bmse010516,1
16,covalent,DOUB,C12,C18,,,,,34570,bmse010516,1
17,covalent,SING,C12,C23,,,,,34570,bmse010516,1
18,covalent,DOUB,C13,C19,,,,,34570,bmse010516,1
19,covalent,SING,C13,C24,,,,,34570,bmse010516,1
20,covalent,SING,C14,C19,,,,,34570,bmse010516,1
21,covalent,DOUB,C14,C25,,,,,34570,bmse010516,1
22,covalent,SING,C15,C21,,,,,34570,bmse010516,1
23,covalent,SING,C15,O33,,,,,34570,bmse010516,1
24,covalent,SING,C16,C27,,,,,34570,bmse010516,1
25,covalent,SING,C16,O34,,,,,34570,bmse010516,1
26,covalent,SING,C18,C30,,,,,34570,bmse010516,1
27,covalent,SING,C19,C28,,,,,34570,bmse010516,1
28,covalent,SING,C20,C21,,,,,34570,bmse010516,1
29,covalent,DOUB,C20,C31,,,,,34570,bmse010516,1
30,covalent,SING,C21,C30,,,,,34570,bmse010516,1
31,covalent,DOUB,C22,C23,,,,,34570,bmse010516,1
32,covalent,SING,C22,O41,,,,,34570,bmse010516,1
33,covalent,SING,C23,O37,,,,,34570,bmse010516,1
34,covalent,DOUB,C24,C29,,,,,34570,bmse010516,1
35,covalent,SING,C24,O38,,,,,34570,bmse010516,1
36,covalent,SING,C25,C29,,,,,34570,bmse010516,1
37,covalent,SING,C25,O39,,,,,34570,bmse010516,1
38,covalent,SING,C26,C31,,,,,34570,bmse010516,1
39,covalent,SING,C26,O40,,,,,34570,bmse010516,1
40,covalent,SING,C27,C28,,,,,34570,bmse010516,1
41,covalent,SING,C27,O41,,,,,34570,bmse010516,1
42,covalent,SING,C28,O35,,,,,34570,bmse010516,1
43,covalent,SING,C29,O36,,,,,34570,bmse010516,1
44,covalent,SING,C30,O42,,,,,34570,bmse010516,1
45,covalent,SING,C31,O42,,,,,34570,bmse010516,1
46,covalent,SING,C1,H43,,,,,34570,bmse010516,1
47,covalent,SING,C1,H44,,,,,34570,bmse010516,1
48,covalent,SING,C1,H45,,,,,34570,bmse010516,1
49,covalent,SING,C2,H48,,,,,34570,bmse010516,1
50,covalent,SING,C2,H46,,,,,34570,bmse010516,1
51,covalent,SING,C2,H47,,,,,34570,bmse010516,1
52,covalent,SING,C3,H51,,,,,34570,bmse010516,1
53,covalent,SING,C3,H49,,,,,34570,bmse010516,1
54,covalent,SING,C3,H50,,,,,34570,bmse010516,1
55,covalent,SING,C4,H52,,,,,34570,bmse010516,1
56,covalent,SING,C4,H53,,,,,34570,bmse010516,1
57,covalent,SING,C4,H54,,,,,34570,bmse010516,1
58,covalent,SING,C5,H55,,,,,34570,bmse010516,1
59,covalent,SING,C6,H56,,,,,34570,bmse010516,1
60,covalent,SING,C7,H57,,,,,34570,bmse010516,1
61,covalent,SING,C8,H58,,,,,34570,bmse010516,1
62,covalent,SING,C9,H59,,,,,34570,bmse010516,1
63,covalent,SING,C9,H60,,,,,34570,bmse010516,1
64,covalent,SING,C10,H61,,,,,34570,bmse010516,1
65,covalent,SING,C11,H62,,,,,34570,bmse010516,1
66,covalent,SING,C12,H63,,,,,34570,bmse010516,1
67,covalent,SING,C13,H64,,,,,34570,bmse010516,1
68,covalent,SING,C14,H65,,,,,34570,bmse010516,1
69,covalent,SING,C15,H66,,,,,34570,bmse010516,1
70,covalent,SING,C15,H67,,,,,34570,bmse010516,1
71,covalent,SING,C16,H68,,,,,34570,bmse010516,1
72,covalent,SING,C16,H69,,,,,34570,bmse010516,1
73,covalent,SING,C21,H70,,,,,34570,bmse010516,1
74,covalent,SING,C27,H71,,,,,34570,bmse010516,1
75,covalent,SING,C28,H72,,,,,34570,bmse010516,1
76,covalent,SING,C30,H73,,,,,34570,bmse010516,1
77,covalent,SING,O32,H74,,,,,34570,bmse010516,1
78,covalent,SING,O33,H75,,,,,34570,bmse010516,1
79,covalent,SING,O34,H76,,,,,34570,bmse010516,1
80,covalent,SING,O35,H77,,,,,34570,bmse010516,1
81,covalent,SING,O36,H78,,,,,34570,bmse010516,1
1,covalent,SING,C1,C19,,,,,34584,bmse010517,1
2,covalent,SING,C2,C20,,,,,34584,bmse010517,1
3,covalent,SING,C3,C21,,,,,34584,bmse010517,1
4,covalent,SING,C4,C22,,,,,34584,bmse010517,1
5,covalent,SING,C5,C23,,,,,34584,bmse010517,1
6,covalent,SING,C6,O43,,,,,34584,bmse010517,1
7,covalent,SING,C7,O44,,,,,34584,bmse010517,1
8,covalent,SING,C8,O45,,,,,34584,bmse010517,1
9,covalent,DOUB,C9,C11,,,,,34584,bmse010517,1
10,covalent,SING,C9,C24,,,,,34584,bmse010517,1
11,covalent,DOUB,C10,C12,,,,,34584,bmse010517,1
12,covalent,SING,C10,C25,,,,,34584,bmse010517,1
13,covalent,SING,C11,C30,,,,,34584,bmse010517,1
14,covalent,SING,C12,C31,,,,,34584,bmse010517,1
15,covalent,DOUB,C13,C26,,,,,34584,bmse010517,1
16,covalent,SING,C13,C27,,,,,34584,bmse010517,1
17,covalent,DOUB,C14,C24,,,,,34584,bmse010517,1
18,covalent,SING,C14,C32,,,,,34584,bmse010517,1
19,covalent,DOUB,C15,C25,,,,,34584,bmse010517,1
20,covalent,SING,C15,C33,,,,,34584,bmse010517,1
21,covalent,SING,C16,C26,,,,,34584,bmse010517,1
22,covalent,DOUB,C16,C34,,,,,34584,bmse010517,1
23,covalent,SING,C17,C28,,,,,34584,bmse010517,1
24,covalent,SING,C17,O46,,,,,34584,bmse010517,1
25,covalent,SING,C18,C29,,,,,34584,bmse010517,1
26,covalent,SING,C18,O47,,,,,34584,bmse010517,1
27,covalent,DOUB,C19,O38,,,,,34584,bmse010517,1
28,covalent,SING,C19,O46,,,,,34584,bmse010517,1
29,covalent,DOUB,C20,O39,,,,,34584,bmse010517,1
30,covalent,SING,C20,O47,,,,,34584,bmse010517,1
31,covalent,DOUB,C21,O40,,,,,34584,bmse010517,1
32,covalent,SING,C21,O48,,,,,34584,bmse010517,1
33,covalent,DOUB,C22,O41,,,,,34584,bmse010517,1
34,covalent,SING,C22,O49,,,,,34584,bmse010517,1
35,covalent,DOUB,C23,O42,,,,,34584,bmse010517,1
36,covalent,SING,C23,O50,,,,,34584,bmse010517,1
37,covalent,SING,C24,C28,,,,,34584,bmse010517,1
38,covalent,SING,C25,C35,,,,,34584,bmse010517,1
39,covalent,SING,C26,C36,,,,,34584,bmse010517,1
40,covalent,SING,C27,C29,,,,,34584,bmse010517,1
41,covalent,DOUB,C27,C37,,,,,34584,bmse010517,1
42,covalent,SING,C28,C36,,,,,34584,bmse010517,1
43,covalent,SING,C29,C35,,,,,34584,bmse010517,1
44,covalent,DOUB,C30,C32,,,,,34584,bmse010517,1
45,covalent,SING,C30,O48,,,,,34584,bmse010517,1
46,covalent,DOUB,C31,C33,,,,,34584,bmse010517,1
47,covalent,SING,C31,O49,,,,,34584,bmse010517,1
48,covalent,SING,C32,O43,,,,,34584,bmse010517,1
49,covalent,SING,C33,O44,,,,,34584,bmse010517,1
50,covalent,SING,C34,C37,,,,,34584,bmse010517,1
51,covalent,SING,C34,O45,,,,,34584,bmse010517,1
52,covalent,SING,C35,O51,,,,,34584,bmse010517,1
53,covalent,SING,C36,O50,,,,,34584,bmse010517,1
54,covalent,SING,C37,O51,,,,,34584,bmse010517,1
55,covalent,SING,C1,H53,,,,,34584,bmse010517,1
56,covalent,SING,C1,H52,,,,,34584,bmse010517,1
57,covalent,SING,C1,H54,,,,,34584,bmse010517,1
58,covalent,SING,C2,H56,,,,,34584,bmse010517,1
59,covalent,SING,C2,H57,,,,,34584,bmse010517,1
60,covalent,SING,C2,H55,,,,,34584,bmse010517,1
61,covalent,SING,C3,H59,,,,,34584,bmse010517,1
62,covalent,SING,C3,H60,,,,,34584,bmse010517,1
63,covalent,SING,C3,H58,,,,,34584,bmse010517,1
64,covalent,SING,C4,H63,,,,,34584,bmse010517,1
65,covalent,SING,C4,H62,,,,,34584,bmse010517,1
66,covalent,SING,C4,H61,,,,,34584,bmse010517,1
67,covalent,SING,C5,H66,,,,,34584,bmse010517,1
68,covalent,SING,C5,H65,,,,,34584,bmse010517,1
69,covalent,SING,C5,H64,,,,,34584,bmse010517,1
70,covalent,SING,C6,H69,,,,,34584,bmse010517,1
71,covalent,SING,C6,H68,,,,,34584,bmse010517,1
72,covalent,SING,C6,H67,,,,,34584,bmse010517,1
73,covalent,SING,C7,H70,,,,,34584,bmse010517,1
74,covalent,SING,C7,H71,,,,,34584,bmse010517,1
75,covalent,SING,C7,H72,,,,,34584,bmse010517,1
76,covalent,SING,C8,H73,,,,,34584,bmse010517,1
77,covalent,SING,C8,H74,,,,,34584,bmse010517,1
78,covalent,SING,C8,H75,,,,,34584,bmse010517,1
79,covalent,SING,C9,H76,,,,,34584,bmse010517,1
80,covalent,SING,C10,H77,,,,,34584,bmse010517,1
81,covalent,SING,C11,H78,,,,,34584,bmse010517,1
82,covalent,SING,C12,H79,,,,,34584,bmse010517,1
83,covalent,SING,C13,H80,,,,,34584,bmse010517,1
84,covalent,SING,C14,H81,,,,,34584,bmse010517,1
85,covalent,SING,C15,H82,,,,,34584,bmse010517,1
86,covalent,SING,C16,H83,,,,,34584,bmse010517,1
87,covalent,SING,C17,H84,,,,,34584,bmse010517,1
88,covalent,SING,C17,H85,,,,,34584,bmse010517,1
89,covalent,SING,C18,H86,,,,,34584,bmse010517,1
90,covalent,SING,C18,H87,,,,,34584,bmse010517,1
91,covalent,SING,C28,H88,,,,,34584,bmse010517,1
92,covalent,SING,C29,H89,,,,,34584,bmse010517,1
93,covalent,SING,C35,H90,,,,,34584,bmse010517,1
94,covalent,SING,C36,H91,,,,,34584,bmse010517,1
1,covalent,SING,C1,O21,,,,,34598,bmse010518,1
2,covalent,SING,C2,O22,,,,,34598,bmse010518,1
3,covalent,DOUB,C3,C8,,,,,34598,bmse010518,1
4,covalent,SING,C3,C11,,,,,34598,bmse010518,1
5,covalent,SING,C4,C6,,,,,34598,bmse010518,1
6,covalent,DOUB,C4,C12,,,,,34598,bmse010518,1
7,covalent,DOUB,C5,C7,,,,,34598,bmse010518,1
8,covalent,SING,C5,C12,,,,,34598,bmse010518,1
9,covalent,DOUB,C6,C13,,,,,34598,bmse010518,1
10,covalent,SING,C7,C13,,,,,34598,bmse010518,1
11,covalent,SING,C8,C14,,,,,34598,bmse010518,1
12,covalent,DOUB,C9,C11,,,,,34598,bmse010518,1
13,covalent,SING,C9,C15,,,,,34598,bmse010518,1
14,covalent,SING,C10,C16,,,,,34598,bmse010518,1
15,covalent,SING,C10,O18,,,,,34598,bmse010518,1
16,covalent,SING,C11,C17,,,,,34598,bmse010518,1
17,covalent,SING,C12,O19,,,,,34598,bmse010518,1
18,covalent,SING,C13,O23,,,,,34598,bmse010518,1
19,covalent,DOUB,C14,C15,,,,,34598,bmse010518,1
20,covalent,SING,C14,O21,,,,,34598,bmse010518,1
21,covalent,SING,C15,O22,,,,,34598,bmse010518,1
22,covalent,SING,C16,C17,,,,,34598,bmse010518,1
23,covalent,SING,C16,O23,,,,,34598,bmse010518,1
24,covalent,SING,C17,O20,,,,,34598,bmse010518,1
25,covalent,SING,C1,H24,,,,,34598,bmse010518,1
26,covalent,SING,C1,H25,,,,,34598,bmse010518,1
27,covalent,SING,C1,H26,,,,,34598,bmse010518,1
28,covalent,SING,C2,H27,,,,,34598,bmse010518,1
29,covalent,SING,C2,H28,,,,,34598,bmse010518,1
30,covalent,SING,C2,H29,,,,,34598,bmse010518,1
31,covalent,SING,C3,H30,,,,,34598,bmse010518,1
32,covalent,SING,C4,H31,,,,,34598,bmse010518,1
33,covalent,SING,C5,H32,,,,,34598,bmse010518,1
34,covalent,SING,C6,H33,,,,,34598,bmse010518,1
35,covalent,SING,C7,H34,,,,,34598,bmse010518,1
36,covalent,SING,C8,H35,,,,,34598,bmse010518,1
37,covalent,SING,C9,H36,,,,,34598,bmse010518,1
38,covalent,SING,C10,H37,,,,,34598,bmse010518,1
39,covalent,SING,C10,H38,,,,,34598,bmse010518,1
40,covalent,SING,C16,H39,,,,,34598,bmse010518,1
41,covalent,SING,C17,H40,,,,,34598,bmse010518,1
42,covalent,SING,O18,H41,,,,,34598,bmse010518,1
43,covalent,SING,O19,H42,,,,,34598,bmse010518,1
44,covalent,SING,O20,H43,,,,,34598,bmse010518,1
1,covalent,SING,C1,O22,,,,,34612,bmse010519,1
2,covalent,SING,C2,O23,,,,,34612,bmse010519,1
3,covalent,SING,C3,C6,,,,,34612,bmse010519,1
4,covalent,DOUB,C3,C12,,,,,34612,bmse010519,1
5,covalent,DOUB,C4,C7,,,,,34612,bmse010519,1
6,covalent,SING,C4,C12,,,,,34612,bmse010519,1
7,covalent,DOUB,C5,C8,,,,,34612,bmse010519,1
8,covalent,SING,C5,C13,,,,,34612,bmse010519,1
9,covalent,DOUB,C6,C14,,,,,34612,bmse010519,1
10,covalent,SING,C7,C14,,,,,34612,bmse010519,1
11,covalent,SING,C8,C15,,,,,34612,bmse010519,1
12,covalent,DOUB,C9,C13,,,,,34612,bmse010519,1
13,covalent,SING,C9,C16,,,,,34612,bmse010519,1
14,covalent,SING,C10,C12,,,,,34612,bmse010519,1
15,covalent,DOUB,C10,O19,,,,,34612,bmse010519,1
16,covalent,SING,C11,C17,,,,,34612,bmse010519,1
17,covalent,SING,C11,O20,,,,,34612,bmse010519,1
18,covalent,SING,C13,C18,,,,,34612,bmse010519,1
19,covalent,SING,C14,O24,,,,,34612,bmse010519,1
20,covalent,DOUB,C15,C16,,,,,34612,bmse010519,1
21,covalent,SING,C15,O22,,,,,34612,bmse010519,1
22,covalent,SING,C16,O23,,,,,34612,bmse010519,1
23,covalent,SING,C17,C18,,,,,34612,bmse010519,1
24,covalent,SING,C17,O24,,,,,34612,bmse010519,1
25,covalent,SING,C18,O21,,,,,34612,bmse010519,1
26,covalent,SING,C1,H27,,,,,34612,bmse010519,1
27,covalent,SING,C1,H26,,,,,34612,bmse010519,1
28,covalent,SING,C1,H25,,,,,34612,bmse010519,1
29,covalent,SING,C2,H30,,,,,34612,bmse010519,1
30,covalent,SING,C2,H29,,,,,34612,bmse010519,1
31,covalent,SING,C2,H28,,,,,34612,bmse010519,1
32,covalent,SING,C3,H31,,,,,34612,bmse010519,1
33,covalent,SING,C4,H32,,,,,34612,bmse010519,1
34,covalent,SING,C5,H33,,,,,34612,bmse010519,1
35,covalent,SING,C6,H34,,,,,34612,bmse010519,1
36,covalent,SING,C7,H35,,,,,34612,bmse010519,1
37,covalent,SING,C8,H36,,,,,34612,bmse010519,1
38,covalent,SING,C9,H37,,,,,34612,bmse010519,1
39,covalent,SING,C10,H38,,,,,34612,bmse010519,1
40,covalent,SING,C11,H39,,,,,34612,bmse010519,1
41,covalent,SING,C11,H40,,,,,34612,bmse010519,1
42,covalent,SING,C17,H41,,,,,34612,bmse010519,1
43,covalent,SING,C18,H42,,,,,34612,bmse010519,1
44,covalent,SING,O20,H43,,,,,34612,bmse010519,1
45,covalent,SING,O21,H44,,,,,34612,bmse010519,1
1,covalent,SING,C1,O22,,,,,34629,bmse010520,1
2,covalent,SING,C2,O23,,,,,34629,bmse010520,1
3,covalent,SING,C3,O24,,,,,34629,bmse010520,1
4,covalent,DOUB,C4,C5,,,,,34629,bmse010520,1
5,covalent,SING,C4,C6,,,,,34629,bmse010520,1
6,covalent,SING,C5,C13,,,,,34629,bmse010520,1
7,covalent,DOUB,C6,C14,,,,,34629,bmse010520,1
8,covalent,DOUB,C7,C8,,,,,34629,bmse010520,1
9,covalent,SING,C7,C11,,,,,34629,bmse010520,1
10,covalent,SING,C8,C12,,,,,34629,bmse010520,1
11,covalent,DOUB,C9,C11,,,,,34629,bmse010520,1
12,covalent,SING,C9,C15,,,,,34629,bmse010520,1
13,covalent,SING,C10,C16,,,,,34629,bmse010520,1
14,covalent,SING,C10,O19,,,,,34629,bmse010520,1
15,covalent,SING,C11,C17,,,,,34629,bmse010520,1
16,covalent,DOUB,C12,C15,,,,,34629,bmse010520,1
17,covalent,SING,C12,O20,,,,,34629,bmse010520,1
18,covalent,DOUB,C13,C18,,,,,34629,bmse010520,1
19,covalent,SING,C13,O22,,,,,34629,bmse010520,1
20,covalent,SING,C14,C18,,,,,34629,bmse010520,1
21,covalent,SING,C14,O23,,,,,34629,bmse010520,1
22,covalent,SING,C15,O24,,,,,34629,bmse010520,1
23,covalent,SING,C16,C17,,,,,34629,bmse010520,1
24,covalent,SING,C16,O25,,,,,34629,bmse010520,1
25,covalent,SING,C17,O21,,,,,34629,bmse010520,1
26,covalent,SING,C18,O25,,,,,34629,bmse010520,1
27,covalent,SING,C1,H26,,,,,34629,bmse010520,1
28,covalent,SING,C1,H28,,,,,34629,bmse010520,1
29,covalent,SING,C1,H27,,,,,34629,bmse010520,1
30,covalent,SING,C2,H30,,,,,34629,bmse010520,1
31,covalent,SING,C2,H29,,,,,34629,bmse010520,1
32,covalent,SING,C2,H31,,,,,34629,bmse010520,1
33,covalent,SING,C3,H32,,,,,34629,bmse010520,1
34,covalent,SING,C3,H33,,,,,34629,bmse010520,1
35,covalent,SING,C3,H34,,,,,34629,bmse010520,1
36,covalent,SING,C4,H35,,,,,34629,bmse010520,1
37,covalent,SING,C5,H36,,,,,34629,bmse010520,1
38,covalent,SING,C6,H37,,,,,34629,bmse010520,1
39,covalent,SING,C7,H38,,,,,34629,bmse010520,1
40,covalent,SING,C8,H39,,,,,34629,bmse010520,1
41,covalent,SING,C9,H40,,,,,34629,bmse010520,1
42,covalent,SING,C10,H41,,,,,34629,bmse010520,1
43,covalent,SING,C10,H42,,,,,34629,bmse010520,1
44,covalent,SING,C16,H43,,,,,34629,bmse010520,1
45,covalent,SING,C17,H44,,,,,34629,bmse010520,1
46,covalent,SING,O19,H45,,,,,34629,bmse010520,1
47,covalent,SING,O20,H46,,,,,34629,bmse010520,1
48,covalent,SING,O21,H47,,,,,34629,bmse010520,1
1,covalent,SING,C1,C11,,,,,34647,bmse010521,1
2,covalent,SING,C2,O23,,,,,34647,bmse010521,1
3,covalent,SING,C3,O24,,,,,34647,bmse010521,1
4,covalent,SING,C4,O25,,,,,34647,bmse010521,1
5,covalent,DOUB,C5,C6,,,,,34647,bmse010521,1
6,covalent,SING,C5,C11,,,,,34647,bmse010521,1
7,covalent,SING,C6,C13,,,,,34647,bmse010521,1
8,covalent,DOUB,C7,C11,,,,,34647,bmse010521,1
9,covalent,SING,C7,C14,,,,,34647,bmse010521,1
10,covalent,DOUB,C8,C12,,,,,34647,bmse010521,1
11,covalent,SING,C8,C15,,,,,34647,bmse010521,1
12,covalent,SING,C9,C12,,,,,34647,bmse010521,1
13,covalent,DOUB,C9,C16,,,,,34647,bmse010521,1
14,covalent,SING,C10,C17,,,,,34647,bmse010521,1
15,covalent,SING,C10,O20,,,,,34647,bmse010521,1
16,covalent,SING,C12,C18,,,,,34647,bmse010521,1
17,covalent,DOUB,C13,C14,,,,,34647,bmse010521,1
18,covalent,SING,C13,O26,,,,,34647,bmse010521,1
19,covalent,SING,C14,O23,,,,,34647,bmse010521,1
20,covalent,DOUB,C15,C19,,,,,34647,bmse010521,1
21,covalent,SING,C15,O24,,,,,34647,bmse010521,1
22,covalent,SING,C16,C19,,,,,34647,bmse010521,1
23,covalent,SING,C16,O25,,,,,34647,bmse010521,1
24,covalent,SING,C17,C18,,,,,34647,bmse010521,1
25,covalent,SING,C17,O26,,,,,34647,bmse010521,1
26,covalent,SING,C18,O21,,,,,34647,bmse010521,1
27,covalent,SING,C19,O22,,,,,34647,bmse010521,1
28,covalent,SING,C1,H28,,,,,34647,bmse010521,1
29,covalent,SING,C1,H27,,,,,34647,bmse010521,1
30,covalent,SING,C1,H29,,,,,34647,bmse010521,1
31,covalent,SING,C2,H31,,,,,34647,bmse010521,1
32,covalent,SING,C2,H30,,,,,34647,bmse010521,1
33,covalent,SING,C2,H32,,,,,34647,bmse010521,1
34,covalent,SING,C3,H35,,,,,34647,bmse010521,1
35,covalent,SING,C3,H34,,,,,34647,bmse010521,1
36,covalent,SING,C3,H33,,,,,34647,bmse010521,1
37,covalent,SING,C4,H36,,,,,34647,bmse010521,1
38,covalent,SING,C4,H37,,,,,34647,bmse010521,1
39,covalent,SING,C4,H38,,,,,34647,bmse010521,1
40,covalent,SING,C5,H39,,,,,34647,bmse010521,1
41,covalent,SING,C6,H40,,,,,34647,bmse010521,1
42,covalent,SING,C7,H41,,,,,34647,bmse010521,1
43,covalent,SING,C8,H42,,,,,34647,bmse010521,1
44,covalent,SING,C9,H43,,,,,34647,bmse010521,1
45,covalent,SING,C10,H44,,,,,34647,bmse010521,1
46,covalent,SING,C10,H45,,,,,34647,bmse010521,1
47,covalent,SING,C17,H46,,,,,34647,bmse010521,1
48,covalent,SING,C18,H47,,,,,34647,bmse010521,1
49,covalent,SING,O20,H48,,,,,34647,bmse010521,1
50,covalent,SING,O21,H49,,,,,34647,bmse010521,1
51,covalent,SING,O22,H50,,,,,34647,bmse010521,1
1,covalent,SING,C1,C2,,,,,34664,bmse500001,1
2,covalent,SING,C1,C6,,,,,34664,bmse500001,1
3,covalent,SING,C1,H22,,,,,34664,bmse500001,1
4,covalent,SING,C1,H23,,,,,34664,bmse500001,1
5,covalent,SING,C2,C3,,,,,34664,bmse500001,1
6,covalent,DOUB,C2,O21,,,,,34664,bmse500001,1
7,covalent,DOUB,C3,C4,,,,,34664,bmse500001,1
8,covalent,SING,C3,H24,,,,,34664,bmse500001,1
9,covalent,SING,C4,C5,,,,,34664,bmse500001,1
10,covalent,SING,C4,C7,,,,,34664,bmse500001,1
11,covalent,SING,C5,C6,,,,,34664,bmse500001,1
12,covalent,SING,C5,C10,,,,,34664,bmse500001,1
13,covalent,SING,C5,C20,,,,,34664,bmse500001,1
14,covalent,SING,C6,H25,,,,,34664,bmse500001,1
15,covalent,SING,C6,H26,,,,,34664,bmse500001,1
16,covalent,SING,C7,C8,,,,,34664,bmse500001,1
17,covalent,SING,C7,H27,,,,,34664,bmse500001,1
18,covalent,SING,C7,H28,,,,,34664,bmse500001,1
19,covalent,SING,C8,C9,,,,,34664,bmse500001,1
20,covalent,SING,C8,H29,,,,,34664,bmse500001,1
21,covalent,SING,C8,H30,,,,,34664,bmse500001,1
22,covalent,SING,C9,C10,,,,,34664,bmse500001,1
23,covalent,SING,C9,C11,,,,,34664,bmse500001,1
24,covalent,SING,C9,H31,,,,,34664,bmse500001,1
25,covalent,SING,C10,C14,,,,,34664,bmse500001,1
26,covalent,SING,C10,H32,,,,,34664,bmse500001,1
27,covalent,SING,C11,C12,,,,,34664,bmse500001,1
28,covalent,SING,C11,C15,,,,,34664,bmse500001,1
29,covalent,SING,C11,H33,,,,,34664,bmse500001,1
30,covalent,SING,C12,C13,,,,,34664,bmse500001,1
31,covalent,SING,C12,C17,,,,,34664,bmse500001,1
32,covalent,SING,C12,C19,,,,,34664,bmse500001,1
33,covalent,SING,C13,C14,,,,,34664,bmse500001,1
34,covalent,SING,C13,H34,,,,,34664,bmse500001,1
35,covalent,SING,C13,H35,,,,,34664,bmse500001,1
36,covalent,SING,C14,H36,,,,,34664,bmse500001,1
37,covalent,SING,C14,H37,,,,,34664,bmse500001,1
38,covalent,SING,C15,C16,,,,,34664,bmse500001,1
39,covalent,SING,C15,H38,,,,,34664,bmse500001,1
40,covalent,SING,C15,H39,,,,,34664,bmse500001,1
41,covalent,SING,C16,C17,,,,,34664,bmse500001,1
42,covalent,SING,C16,H40,,,,,34664,bmse500001,1
43,covalent,SING,C16,H41,,,,,34664,bmse500001,1
44,covalent,DOUB,C17,O18,,,,,34664,bmse500001,1
45,covalent,SING,C19,H42,,,,,34664,bmse500001,1
46,covalent,SING,C19,H43,,,,,34664,bmse500001,1
47,covalent,SING,C19,H44,,,,,34664,bmse500001,1
48,covalent,SING,C20,H45,,,,,34664,bmse500001,1
49,covalent,SING,C20,H46,,,,,34664,bmse500001,1
50,covalent,SING,C20,H47,,,,,34664,bmse500001,1
1,covalent,SING,C1,C2,,,,,34676,bmst000001,1
2,covalent,SING,C1,N6,,,,,34676,bmst000001,1
3,covalent,SING,C1,H10,,,,,34676,bmst000001,1
4,covalent,SING,C1,H11,,,,,34676,bmst000001,1
5,covalent,SING,C2,C3,,,,,34676,bmst000001,1
6,covalent,SING,C2,H12,,,,,34676,bmst000001,1
7,covalent,SING,C2,H13,,,,,34676,bmst000001,1
8,covalent,SING,C3,N4,,,,,34676,bmst000001,1
9,covalent,SING,C3,H14,,,,,34676,bmst000001,1
10,covalent,SING,C3,H15,,,,,34676,bmst000001,1
11,covalent,SING,N4,H5,,,,,34676,bmst000001,1
12,covalent,SING,N4,H9,,,,,34676,bmst000001,1
13,covalent,SING,N6,H7,,,,,34676,bmst000001,1
14,covalent,SING,N6,H8,,,,,34676,bmst000001,1
1,covalent,SING,O1,C10,,,,,34686,bmst000002,1
2,covalent,SING,O1,H20,,,,,34686,bmst000002,1
3,covalent,SING,C13,O2,,,,,34686,bmst000002,1
4,covalent,SING,O2,H21,,,,,34686,bmst000002,1
5,covalent,SING,O3,C11,,,,,34686,bmst000002,1
6,covalent,SING,O3,C12,,,,,34686,bmst000002,1
7,covalent,DOUB,O4,C17,,,,,34686,bmst000002,1
8,covalent,SING,N5,C15,,,,,34686,bmst000002,1
9,covalent,SING,N5,H22,,,,,34686,bmst000002,1
10,covalent,SING,N5,H23,,,,,34686,bmst000002,1
11,covalent,SING,C11,N6,,,,,34686,bmst000002,1
12,covalent,SING,N6,C16,,,,,34686,bmst000002,1
13,covalent,SING,N6,C19,,,,,34686,bmst000002,1
14,covalent,SING,N7,C15,,,,,34686,bmst000002,1
15,covalent,SING,N7,C16,,,,,34686,bmst000002,1
16,covalent,SING,N7,H24,,,,,34686,bmst000002,1
17,covalent,DOUB,N8,C15,,,,,34686,bmst000002,1
18,covalent,SING,N8,C17,,,,,34686,bmst000002,1
19,covalent,SING,N9,C18,,,,,34686,bmst000002,1
20,covalent,DOUB,N9,C19,,,,,34686,bmst000002,1
21,covalent,SING,C12,C10,,,,,34686,bmst000002,1
22,covalent,SING,C10,H25,,,,,34686,bmst000002,1
23,covalent,SING,C10,H26,,,,,34686,bmst000002,1
24,covalent,SING,C11,C14,,,,,34686,bmst000002,1
25,covalent,SING,C11,H27,,,,,34686,bmst000002,1
26,covalent,SING,C12,C13,,,,,34686,bmst000002,1
27,covalent,SING,C12,H28,,,,,34686,bmst000002,1
28,covalent,SING,C13,C14,,,,,34686,bmst000002,1
29,covalent,SING,C13,H29,,,,,34686,bmst000002,1
30,covalent,SING,C14,H30,,,,,34686,bmst000002,1
31,covalent,SING,C14,H31,,,,,34686,bmst000002,1
32,covalent,DOUB,C16,C18,,,,,34686,bmst000002,1
33,covalent,SING,C17,C18,,,,,34686,bmst000002,1
34,covalent,SING,C19,H32,,,,,34686,bmst000002,1
1,covalent,SING,C1,N7,,,,,34696,bmst000007,1
2,covalent,DOUB,C1,N8,,,,,34696,bmst000007,1
3,covalent,SING,C1,H11,,,,,34696,bmst000007,1
4,covalent,DOUB,C2,N9,,,,,34696,bmst000007,1
5,covalent,SING,C2,N10,,,,,34696,bmst000007,1
6,covalent,SING,C2,H12,,,,,34696,bmst000007,1
7,covalent,DOUB,C3,C4,,,,,34696,bmst000007,1
8,covalent,SING,C3,C5,,,,,34696,bmst000007,1
9,covalent,SING,C3,N7,,,,,34696,bmst000007,1
10,covalent,SING,C4,N6,,,,,34696,bmst000007,1
11,covalent,SING,C4,N9,,,,,34696,bmst000007,1
12,covalent,SING,C5,N8,,,,,34696,bmst000007,1
13,covalent,DOUB,C5,N10,,,,,34696,bmst000007,1
14,covalent,SING,N6,H13,,,,,34696,bmst000007,1
15,covalent,SING,N6,H14,,,,,34696,bmst000007,1
16,covalent,SING,N7,H15,,,,,34696,bmst000007,1
1,covalent,DOUB,C1,N12,,,,,34706,bmst000008,1
2,covalent,SING,C1,N13,,,,,34706,bmst000008,1
3,covalent,SING,C1,H20,,,,,34706,bmst000008,1
4,covalent,DOUB,C2,N14,,,,,34706,bmst000008,1
5,covalent,SING,C2,N15,,,,,34706,bmst000008,1
6,covalent,SING,C2,H21,,,,,34706,bmst000008,1
7,covalent,SING,C7,C3,,,,,34706,bmst000008,1
8,covalent,SING,C3,O16,,,,,34706,bmst000008,1
9,covalent,SING,C3,H22,,,,,34706,bmst000008,1
10,covalent,SING,C3,H23,,,,,34706,bmst000008,1
11,covalent,DOUB,C4,C5,,,,,34706,bmst000008,1
12,covalent,SING,C4,C6,,,,,34706,bmst000008,1
13,covalent,SING,C4,N14,,,,,34706,bmst000008,1
14,covalent,SING,C5,N11,,,,,34706,bmst000008,1
15,covalent,SING,C5,N12,,,,,34706,bmst000008,1
16,covalent,DOUB,C6,N13,,,,,34706,bmst000008,1
17,covalent,SING,C6,N15,,,,,34706,bmst000008,1
18,covalent,SING,C7,C8,,,,,34706,bmst000008,1
19,covalent,SING,C7,O19,,,,,34706,bmst000008,1
20,covalent,SING,C7,H24,,,,,34706,bmst000008,1
21,covalent,SING,C8,C9,,,,,34706,bmst000008,1
22,covalent,SING,C8,O17,,,,,34706,bmst000008,1
23,covalent,SING,C8,H25,,,,,34706,bmst000008,1
24,covalent,SING,C9,C10,,,,,34706,bmst000008,1
25,covalent,SING,C9,O18,,,,,34706,bmst000008,1
26,covalent,SING,C9,H26,,,,,34706,bmst000008,1
27,covalent,SING,C10,N15,,,,,34706,bmst000008,1
28,covalent,SING,C10,O19,,,,,34706,bmst000008,1
29,covalent,SING,C10,H27,,,,,34706,bmst000008,1
30,covalent,SING,N11,H28,,,,,34706,bmst000008,1
31,covalent,SING,N11,H29,,,,,34706,bmst000008,1
32,covalent,SING,O16,H30,,,,,34706,bmst000008,1
33,covalent,SING,O17,H31,,,,,34706,bmst000008,1
34,covalent,SING,O18,H32,,,,,34706,bmst000008,1
1,covalent,SING,O1,C6,,,,,34716,bmst000009,1
2,covalent,SING,O1,H11,,,,,34716,bmst000009,1
3,covalent,SING,C7,O2,,,,,34716,bmst000009,1
4,covalent,SING,O2,H13,,,,,34716,bmst000009,1
5,covalent,SING,C8,O3,,,,,34716,bmst000009,1
6,covalent,SING,O3,H12,,,,,34716,bmst000009,1
7,covalent,SING,O4,C9,,,,,34716,bmst000009,1
8,covalent,SING,O4,H15,,,,,34716,bmst000009,1
9,covalent,SING,O5,C10,,,,,34716,bmst000009,1
10,covalent,SING,O5,H14,,,,,34716,bmst000009,1
11,covalent,SING,C6,C7,,,,,34716,bmst000009,1
12,covalent,SING,C6,C8,,,,,34716,bmst000009,1
13,covalent,SING,C6,H16,,,,,34716,bmst000009,1
14,covalent,SING,C7,C9,,,,,34716,bmst000009,1
15,covalent,SING,C7,H17,,,,,34716,bmst000009,1
16,covalent,SING,C8,C10,,,,,34716,bmst000009,1
17,covalent,SING,C8,H18,,,,,34716,bmst000009,1
18,covalent,SING,C9,H21,,,,,34716,bmst000009,1
19,covalent,SING,C9,H22,,,,,34716,bmst000009,1
20,covalent,SING,C10,H19,,,,,34716,bmst000009,1
21,covalent,SING,C10,H20,,,,,34716,bmst000009,1
1,covalent,DOUB,C1,N12,,,,,34726,bmst000010,1
2,covalent,SING,C1,N13,,,,,34726,bmst000010,1
3,covalent,SING,C1,H28,,,,,34726,bmst000010,1
4,covalent,DOUB,C2,N14,,,,,34726,bmst000010,1
5,covalent,SING,C2,N15,,,,,34726,bmst000010,1
6,covalent,SING,C2,H29,,,,,34726,bmst000010,1
7,covalent,SING,C7,C3,,,,,34726,bmst000010,1
8,covalent,SING,C3,O24,,,,,34726,bmst000010,1
9,covalent,SING,C3,H30,,,,,34726,bmst000010,1
10,covalent,SING,C3,H31,,,,,34726,bmst000010,1
11,covalent,DOUB,C4,C5,,,,,34726,bmst000010,1
12,covalent,SING,C4,C6,,,,,34726,bmst000010,1
13,covalent,SING,C4,N14,,,,,34726,bmst000010,1
14,covalent,SING,C5,N11,,,,,34726,bmst000010,1
15,covalent,SING,C5,N12,,,,,34726,bmst000010,1
16,covalent,DOUB,C6,N13,,,,,34726,bmst000010,1
17,covalent,SING,C6,N15,,,,,34726,bmst000010,1
18,covalent,SING,C7,C8,,,,,34726,bmst000010,1
19,covalent,SING,C7,O23,,,,,34726,bmst000010,1
20,covalent,SING,C7,H32,,,,,34726,bmst000010,1
21,covalent,SING,C8,C9,,,,,34726,bmst000010,1
22,covalent,SING,C8,O16,,,,,34726,bmst000010,1
23,covalent,SING,C8,H33,,,,,34726,bmst000010,1
24,covalent,SING,C9,C10,,,,,34726,bmst000010,1
25,covalent,SING,C9,O17,,,,,34726,bmst000010,1
26,covalent,SING,C9,H34,,,,,34726,bmst000010,1
27,covalent,SING,C10,N15,,,,,34726,bmst000010,1
28,covalent,SING,C10,O23,,,,,34726,bmst000010,1
29,covalent,SING,C10,H35,,,,,34726,bmst000010,1
30,covalent,SING,N11,H36,,,,,34726,bmst000010,1
31,covalent,SING,N11,H37,,,,,34726,bmst000010,1
32,covalent,SING,O16,H38,,,,,34726,bmst000010,1
33,covalent,SING,O17,H39,,,,,34726,bmst000010,1
34,covalent,SING,O18,P26,,,,,34726,bmst000010,1
35,covalent,SING,O18,H40,,,,,34726,bmst000010,1
36,covalent,SING,O19,P26,,,,,34726,bmst000010,1
37,covalent,SING,O19,H41,,,,,34726,bmst000010,1
38,covalent,SING,O20,P27,,,,,34726,bmst000010,1
39,covalent,SING,O20,H42,,,,,34726,bmst000010,1
40,covalent,DOUB,O21,P26,,,,,34726,bmst000010,1
41,covalent,DOUB,O22,P27,,,,,34726,bmst000010,1
42,covalent,SING,O24,P27,,,,,34726,bmst000010,1
43,covalent,SING,O25,P26,,,,,34726,bmst000010,1
44,covalent,SING,O25,P27,,,,,34726,bmst000010,1
1,covalent,SING,C1,C2,,,,,34736,bmst000019,1
2,covalent,SING,C1,O7,,,,,34736,bmst000019,1
3,covalent,SING,C1,O11,,,,,34736,bmst000019,1
4,covalent,SING,C1,H24,,,,,34736,bmst000019,1
5,covalent,SING,C2,C3,,,,,34736,bmst000019,1
6,covalent,SING,C2,O8,,,,,34736,bmst000019,1
7,covalent,SING,C2,H25,,,,,34736,bmst000019,1
8,covalent,SING,C3,C4,,,,,34736,bmst000019,1
9,covalent,SING,C3,O9,,,,,34736,bmst000019,1
10,covalent,SING,C3,H26,,,,,34736,bmst000019,1
11,covalent,SING,C4,C5,,,,,34736,bmst000019,1
12,covalent,SING,C4,O10,,,,,34736,bmst000019,1
13,covalent,SING,C4,H27,,,,,34736,bmst000019,1
14,covalent,SING,C5,C6,,,,,34736,bmst000019,1
15,covalent,SING,C5,O11,,,,,34736,bmst000019,1
16,covalent,SING,C5,H28,,,,,34736,bmst000019,1
17,covalent,SING,C6,O12,,,,,34736,bmst000019,1
18,covalent,SING,C6,H29,,,,,34736,bmst000019,1
19,covalent,SING,C6,H30,,,,,34736,bmst000019,1
20,covalent,SING,O7,C16,,,,,34736,bmst000019,1
21,covalent,SING,O8,H31,,,,,34736,bmst000019,1
22,covalent,SING,O9,H32,,,,,34736,bmst000019,1
23,covalent,SING,O10,H33,,,,,34736,bmst000019,1
24,covalent,SING,O12,H34,,,,,34736,bmst000019,1
25,covalent,SING,C13,C14,,,,,34736,bmst000019,1
26,covalent,SING,C13,O19,,,,,34736,bmst000019,1
27,covalent,SING,C13,O22,,,,,34736,bmst000019,1
28,covalent,SING,C13,H35,,,,,34736,bmst000019,1
29,covalent,SING,C14,C15,,,,,34736,bmst000019,1
30,covalent,SING,C14,O20,,,,,34736,bmst000019,1
31,covalent,SING,C14,H36,,,,,34736,bmst000019,1
32,covalent,SING,C15,C16,,,,,34736,bmst000019,1
33,covalent,SING,C15,O21,,,,,34736,bmst000019,1
34,covalent,SING,C15,H37,,,,,34736,bmst000019,1
35,covalent,SING,C16,C17,,,,,34736,bmst000019,1
36,covalent,SING,C16,H38,,,,,34736,bmst000019,1
37,covalent,SING,C17,C18,,,,,34736,bmst000019,1
38,covalent,SING,C17,O22,,,,,34736,bmst000019,1
39,covalent,SING,C17,H39,,,,,34736,bmst000019,1
40,covalent,SING,C18,O23,,,,,34736,bmst000019,1
41,covalent,SING,C18,H40,,,,,34736,bmst000019,1
42,covalent,SING,C18,H41,,,,,34736,bmst000019,1
43,covalent,SING,O19,H42,,,,,34736,bmst000019,1
44,covalent,SING,O20,H43,,,,,34736,bmst000019,1
45,covalent,SING,O21,H44,,,,,34736,bmst000019,1
46,covalent,SING,O23,H45,,,,,34736,bmst000019,1
1,covalent,DOUB,C1,N12,,,,,34746,bmst000022,1
2,covalent,SING,C1,N13,,,,,34746,bmst000022,1
3,covalent,SING,C1,H24,,,,,34746,bmst000022,1
4,covalent,DOUB,C2,N14,,,,,34746,bmst000022,1
5,covalent,SING,C2,N15,,,,,34746,bmst000022,1
6,covalent,SING,C2,H25,,,,,34746,bmst000022,1
7,covalent,SING,C7,C3,,,,,34746,bmst000022,1
8,covalent,SING,C3,O22,,,,,34746,bmst000022,1
9,covalent,SING,C3,H26,,,,,34746,bmst000022,1
10,covalent,SING,C3,H27,,,,,34746,bmst000022,1
11,covalent,DOUB,C4,C5,,,,,34746,bmst000022,1
12,covalent,SING,C4,C6,,,,,34746,bmst000022,1
13,covalent,SING,C4,N14,,,,,34746,bmst000022,1
14,covalent,SING,C5,N11,,,,,34746,bmst000022,1
15,covalent,SING,C5,N12,,,,,34746,bmst000022,1
16,covalent,DOUB,C6,N13,,,,,34746,bmst000022,1
17,covalent,SING,C6,N15,,,,,34746,bmst000022,1
18,covalent,SING,C7,C8,,,,,34746,bmst000022,1
19,covalent,SING,C7,O21,,,,,34746,bmst000022,1
20,covalent,SING,C7,H28,,,,,34746,bmst000022,1
21,covalent,SING,C8,C9,,,,,34746,bmst000022,1
22,covalent,SING,C8,O16,,,,,34746,bmst000022,1
23,covalent,SING,C8,H29,,,,,34746,bmst000022,1
24,covalent,SING,C9,C10,,,,,34746,bmst000022,1
25,covalent,SING,C9,O17,,,,,34746,bmst000022,1
26,covalent,SING,C9,H30,,,,,34746,bmst000022,1
27,covalent,SING,C10,N15,,,,,34746,bmst000022,1
28,covalent,SING,C10,O21,,,,,34746,bmst000022,1
29,covalent,SING,C10,H31,,,,,34746,bmst000022,1
30,covalent,SING,N11,H32,,,,,34746,bmst000022,1
31,covalent,SING,N11,H33,,,,,34746,bmst000022,1
32,covalent,SING,O16,H34,,,,,34746,bmst000022,1
33,covalent,SING,O17,H35,,,,,34746,bmst000022,1
34,covalent,SING,O18,P23,,,,,34746,bmst000022,1
35,covalent,SING,O18,H36,,,,,34746,bmst000022,1
36,covalent,SING,O19,P23,,,,,34746,bmst000022,1
37,covalent,SING,O19,H37,,,,,34746,bmst000022,1
38,covalent,DOUB,O20,P23,,,,,34746,bmst000022,1
39,covalent,SING,O22,P23,,,,,34746,bmst000022,1
1,covalent,DOUB,C1,C2,,,,,34756,bmst000023,1
2,covalent,SING,C1,C3,,,,,34756,bmst000023,1
3,covalent,SING,C1,H11,,,,,34756,bmst000023,1
4,covalent,SING,C2,C4,,,,,34756,bmst000023,1
5,covalent,SING,C2,H12,,,,,34756,bmst000023,1
6,covalent,DOUB,C3,C5,,,,,34756,bmst000023,1
7,covalent,SING,C3,H13,,,,,34756,bmst000023,1
8,covalent,DOUB,C4,C6,,,,,34756,bmst000023,1
9,covalent,SING,C4,H14,,,,,34756,bmst000023,1
10,covalent,SING,C5,C6,,,,,34756,bmst000023,1
11,covalent,SING,C5,C7,,,,,34756,bmst000023,1
12,covalent,SING,C6,N8,,,,,34756,bmst000023,1
13,covalent,SING,C7,O9,,,,,34756,bmst000023,1
14,covalent,DOUB,C7,O10,,,,,34756,bmst000023,1
15,covalent,SING,N8,H15,,,,,34756,bmst000023,1
16,covalent,SING,N8,H16,,,,,34756,bmst000023,1
17,covalent,SING,O9,H17,,,,,34756,bmst000023,1
1,covalent,DOUB,C1,N12,,,,,34766,bmst000033,1
2,covalent,SING,C1,N13,,,,,34766,bmst000033,1
3,covalent,SING,C1,H32,,,,,34766,bmst000033,1
4,covalent,DOUB,C2,N14,,,,,34766,bmst000033,1
5,covalent,SING,C2,N15,,,,,34766,bmst000033,1
6,covalent,SING,C2,H33,,,,,34766,bmst000033,1
7,covalent,SING,C7,C3,,,,,34766,bmst000033,1
8,covalent,SING,C3,O26,,,,,34766,bmst000033,1
9,covalent,SING,C3,H34,,,,,34766,bmst000033,1
10,covalent,SING,C3,H35,,,,,34766,bmst000033,1
11,covalent,DOUB,C4,C5,,,,,34766,bmst000033,1
12,covalent,SING,C4,C6,,,,,34766,bmst000033,1
13,covalent,SING,C4,N14,,,,,34766,bmst000033,1
14,covalent,SING,C5,N11,,,,,34766,bmst000033,1
15,covalent,SING,C5,N12,,,,,34766,bmst000033,1
16,covalent,DOUB,C6,N13,,,,,34766,bmst000033,1
17,covalent,SING,C6,N15,,,,,34766,bmst000033,1
18,covalent,SING,C7,C8,,,,,34766,bmst000033,1
19,covalent,SING,C7,O25,,,,,34766,bmst000033,1
20,covalent,SING,C7,H36,,,,,34766,bmst000033,1
21,covalent,SING,C8,C9,,,,,34766,bmst000033,1
22,covalent,SING,C8,O16,,,,,34766,bmst000033,1
23,covalent,SING,C8,H37,,,,,34766,bmst000033,1
24,covalent,SING,C9,C10,,,,,34766,bmst000033,1
25,covalent,SING,C9,O17,,,,,34766,bmst000033,1
26,covalent,SING,C9,H38,,,,,34766,bmst000033,1
27,covalent,SING,C10,N15,,,,,34766,bmst000033,1
28,covalent,SING,C10,O25,,,,,34766,bmst000033,1
29,covalent,SING,C10,H39,,,,,34766,bmst000033,1
30,covalent,SING,N11,H40,,,,,34766,bmst000033,1
31,covalent,SING,N11,H41,,,,,34766,bmst000033,1
32,covalent,SING,O16,H42,,,,,34766,bmst000033,1
33,covalent,SING,O17,H43,,,,,34766,bmst000033,1
34,covalent,SING,O18,P29,,,,,34766,bmst000033,1
35,covalent,SING,O18,H44,,,,,34766,bmst000033,1
36,covalent,SING,O19,P29,,,,,34766,bmst000033,1
37,covalent,SING,O19,H45,,,,,34766,bmst000033,1
38,covalent,SING,O20,P30,,,,,34766,bmst000033,1
39,covalent,SING,O20,H46,,,,,34766,bmst000033,1
40,covalent,SING,O21,P31,,,,,34766,bmst000033,1
41,covalent,SING,O21,H47,,,,,34766,bmst000033,1
42,covalent,DOUB,O22,P29,,,,,34766,bmst000033,1
43,covalent,DOUB,O23,P30,,,,,34766,bmst000033,1
44,covalent,DOUB,O24,P31,,,,,34766,bmst000033,1
45,covalent,SING,O26,P30,,,,,34766,bmst000033,1
46,covalent,SING,O27,P29,,,,,34766,bmst000033,1
47,covalent,SING,O27,P31,,,,,34766,bmst000033,1
48,covalent,SING,O28,P30,,,,,34766,bmst000033,1
49,covalent,SING,O28,P31,,,,,34766,bmst000033,1
1,covalent,SING,C1,N2,,,,,34776,bmst000039,1
2,covalent,SING,C1,H9,,,,,34776,bmst000039,1
3,covalent,SING,C1,H10,,,,,34776,bmst000039,1
4,covalent,SING,C1,H11,,,,,34776,bmst000039,1
5,covalent,SING,N2,C3,,,,,34776,bmst000039,1
6,covalent,SING,N2,C7,,,,,34776,bmst000039,1
7,covalent,SING,N2,C8,,,,,34776,bmst000039,1
8,covalent,SING,C3,C4,,,,,34776,bmst000039,1
9,covalent,SING,C3,H12,,,,,34776,bmst000039,1
10,covalent,SING,C3,H13,,,,,34776,bmst000039,1
11,covalent,DOUB,C4,O5,,,,,34776,bmst000039,1
12,covalent,SING,C4,O6,,,,,34776,bmst000039,1
13,covalent,SING,C7,H14,,,,,34776,bmst000039,1
14,covalent,SING,C7,H15,,,,,34776,bmst000039,1
15,covalent,SING,C7,H16,,,,,34776,bmst000039,1
16,covalent,SING,C8,H17,,,,,34776,bmst000039,1
17,covalent,SING,C8,H18,,,,,34776,bmst000039,1
18,covalent,SING,C8,H19,,,,,34776,bmst000039,1
1,covalent,SING,N1,C4,,,,,34786,bmst000051,1
2,covalent,SING,N1,H8,,,,,34786,bmst000051,1
3,covalent,SING,N1,H9,,,,,34786,bmst000051,1
4,covalent,SING,N2,C3,,,,,34786,bmst000051,1
5,covalent,SING,N2,H10,,,,,34786,bmst000051,1
6,covalent,SING,N2,H11,,,,,34786,bmst000051,1
7,covalent,SING,C3,C6,,,,,34786,bmst000051,1
8,covalent,SING,C3,H12,,,,,34786,bmst000051,1
9,covalent,SING,C3,H13,,,,,34786,bmst000051,1
10,covalent,SING,C4,C5,,,,,34786,bmst000051,1
11,covalent,SING,C4,H14,,,,,34786,bmst000051,1
12,covalent,SING,C4,H15,,,,,34786,bmst000051,1
13,covalent,SING,C5,C7,,,,,34786,bmst000051,1
14,covalent,SING,C5,H16,,,,,34786,bmst000051,1
15,covalent,SING,C5,H17,,,,,34786,bmst000051,1
16,covalent,SING,C6,C7,,,,,34786,bmst000051,1
17,covalent,SING,C6,H18,,,,,34786,bmst000051,1
18,covalent,SING,C6,H19,,,,,34786,bmst000051,1
19,covalent,SING,C7,H20,,,,,34786,bmst000051,1
20,covalent,SING,C7,H21,,,,,34786,bmst000051,1
1,covalent,DOUB,C1,N12,,,,,34796,bmst000052,1
2,covalent,SING,C1,N13,,,,,34796,bmst000052,1
3,covalent,SING,C1,H23,,,,,34796,bmst000052,1
4,covalent,DOUB,C2,N14,,,,,34796,bmst000052,1
5,covalent,SING,C2,N15,,,,,34796,bmst000052,1
6,covalent,SING,C2,H24,,,,,34796,bmst000052,1
7,covalent,SING,C3,C7,,,,,34796,bmst000052,1
8,covalent,SING,C3,O19,,,,,34796,bmst000052,1
9,covalent,SING,C3,H25,,,,,34796,bmst000052,1
10,covalent,SING,C3,H26,,,,,34796,bmst000052,1
11,covalent,DOUB,C4,C5,,,,,34796,bmst000052,1
12,covalent,SING,C4,C6,,,,,34796,bmst000052,1
13,covalent,SING,C4,N14,,,,,34796,bmst000052,1
14,covalent,SING,C5,N11,,,,,34796,bmst000052,1
15,covalent,SING,C5,N12,,,,,34796,bmst000052,1
16,covalent,DOUB,C6,N13,,,,,34796,bmst000052,1
17,covalent,SING,C6,N15,,,,,34796,bmst000052,1
18,covalent,SING,C7,C9,,,,,34796,bmst000052,1
19,covalent,SING,C7,O20,,,,,34796,bmst000052,1
20,covalent,SING,C7,H27,,,,,34796,bmst000052,1
21,covalent,SING,C8,C9,,,,,34796,bmst000052,1
22,covalent,SING,C8,C10,,,,,34796,bmst000052,1
23,covalent,SING,C8,O16,,,,,34796,bmst000052,1
24,covalent,SING,C8,H28,,,,,34796,bmst000052,1
25,covalent,SING,C9,O21,,,,,34796,bmst000052,1
26,covalent,SING,C9,H29,,,,,34796,bmst000052,1
27,covalent,SING,C10,N15,,,,,34796,bmst000052,1
28,covalent,SING,C10,O20,,,,,34796,bmst000052,1
29,covalent,SING,C10,H30,,,,,34796,bmst000052,1
30,covalent,SING,N11,H31,,,,,34796,bmst000052,1
31,covalent,SING,N11,H32,,,,,34796,bmst000052,1
32,covalent,SING,O16,H33,,,,,34796,bmst000052,1
33,covalent,SING,O17,P22,,,,,34796,bmst000052,1
34,covalent,SING,O17,H34,,,,,34796,bmst000052,1
35,covalent,DOUB,O18,P22,,,,,34796,bmst000052,1
36,covalent,SING,O19,P22,,,,,34796,bmst000052,1
37,covalent,SING,O21,P22,,,,,34796,bmst000052,1
1,covalent,SING,C1,C2,,,,,34806,bmst000056,1
2,covalent,SING,C1,C3,,,,,34806,bmst000056,1
3,covalent,SING,C1,O4,,,,,34806,bmst000056,1
4,covalent,SING,C1,H17,,,,,34806,bmst000056,1
5,covalent,DOUB,C2,C5,,,,,34806,bmst000056,1
6,covalent,SING,C2,H18,,,,,34806,bmst000056,1
7,covalent,SING,C3,C6,,,,,34806,bmst000056,1
8,covalent,SING,C3,O7,,,,,34806,bmst000056,1
9,covalent,SING,C3,H19,,,,,34806,bmst000056,1
10,covalent,SING,O4,C8,,,,,34806,bmst000056,1
11,covalent,SING,C5,C9,,,,,34806,bmst000056,1
12,covalent,SING,C5,C10,,,,,34806,bmst000056,1
13,covalent,DOUB,C6,C9,,,,,34806,bmst000056,1
14,covalent,SING,C6,H20,,,,,34806,bmst000056,1
15,covalent,SING,O7,H21,,,,,34806,bmst000056,1
16,covalent,SING,C8,C11,,,,,34806,bmst000056,1
17,covalent,DOUB,C8,C12,,,,,34806,bmst000056,1
18,covalent,SING,C9,H22,,,,,34806,bmst000056,1
19,covalent,SING,C10,O13,,,,,34806,bmst000056,1
20,covalent,DOUB,C10,O14,,,,,34806,bmst000056,1
21,covalent,SING,C11,O15,,,,,34806,bmst000056,1
22,covalent,DOUB,C11,O16,,,,,34806,bmst000056,1
23,covalent,SING,C12,H23,,,,,34806,bmst000056,1
24,covalent,SING,C12,H24,,,,,34806,bmst000056,1
25,covalent,SING,O13,H25,,,,,34806,bmst000056,1
26,covalent,SING,O15,H26,,,,,34806,bmst000056,1
1,covalent,SING,C1,C3,,,,,34816,bmst000057,1
2,covalent,SING,C1,C6,,,,,34816,bmst000057,1
3,covalent,SING,C1,H14,,,,,34816,bmst000057,1
4,covalent,SING,C1,H15,,,,,34816,bmst000057,1
5,covalent,SING,C2,C4,,,,,34816,bmst000057,1
6,covalent,SING,C2,C6,,,,,34816,bmst000057,1
7,covalent,SING,C2,H16,,,,,34816,bmst000057,1
8,covalent,SING,C2,H17,,,,,34816,bmst000057,1
9,covalent,SING,C3,O7,,,,,34816,bmst000057,1
10,covalent,DOUB,C3,O11,,,,,34816,bmst000057,1
11,covalent,SING,C4,O8,,,,,34816,bmst000057,1
12,covalent,DOUB,C4,O12,,,,,34816,bmst000057,1
13,covalent,SING,C5,C6,,,,,34816,bmst000057,1
14,covalent,SING,C5,O9,,,,,34816,bmst000057,1
15,covalent,DOUB,C5,O13,,,,,34816,bmst000057,1
16,covalent,SING,C6,O10,,,,,34816,bmst000057,1
17,covalent,SING,O7,H18,,,,,34816,bmst000057,1
18,covalent,SING,O8,H19,,,,,34816,bmst000057,1
19,covalent,SING,O9,H20,,,,,34816,bmst000057,1
20,covalent,SING,O10,H21,,,,,34816,bmst000057,1
1,covalent,DOUB,C1,C2,,,,,34826,bmst000058,1
2,covalent,SING,C1,C3,,,,,34826,bmst000058,1
3,covalent,SING,C1,H12,,,,,34826,bmst000058,1
4,covalent,SING,C2,C4,,,,,34826,bmst000058,1
5,covalent,SING,C2,H13,,,,,34826,bmst000058,1
6,covalent,DOUB,C3,C7,,,,,34826,bmst000058,1
7,covalent,SING,C3,H14,,,,,34826,bmst000058,1
8,covalent,DOUB,C4,C8,,,,,34826,bmst000058,1
9,covalent,SING,C4,H15,,,,,34826,bmst000058,1
10,covalent,DOUB,C5,C6,,,,,34826,bmst000058,1
11,covalent,SING,C5,C7,,,,,34826,bmst000058,1
12,covalent,SING,C5,H16,,,,,34826,bmst000058,1
13,covalent,SING,C6,C9,,,,,34826,bmst000058,1
14,covalent,SING,C6,H17,,,,,34826,bmst000058,1
15,covalent,SING,C7,C8,,,,,34826,bmst000058,1
16,covalent,SING,C8,O11,,,,,34826,bmst000058,1
17,covalent,DOUB,C9,O10,,,,,34826,bmst000058,1
18,covalent,SING,C9,O11,,,,,34826,bmst000058,1
1,covalent,SING,C1,N2,,,,,34836,bmst000059,1
2,covalent,DOUB,C1,N3,,,,,34836,bmst000059,1
3,covalent,SING,C1,N7,,,,,34836,bmst000059,1
4,covalent,SING,N2,C5,,,,,34836,bmst000059,1
5,covalent,SING,N2,C9,,,,,34836,bmst000059,1
6,covalent,SING,N3,H10,,,,,34836,bmst000059,1
7,covalent,SING,C4,C5,,,,,34836,bmst000059,1
8,covalent,DOUB,C4,O6,,,,,34836,bmst000059,1
9,covalent,SING,C4,O8,,,,,34836,bmst000059,1
10,covalent,SING,C5,H11,,,,,34836,bmst000059,1
11,covalent,SING,C5,H12,,,,,34836,bmst000059,1
12,covalent,SING,N7,H13,,,,,34836,bmst000059,1
13,covalent,SING,N7,H14,,,,,34836,bmst000059,1
14,covalent,SING,O8,H15,,,,,34836,bmst000059,1
15,covalent,SING,C9,H16,,,,,34836,bmst000059,1
16,covalent,SING,C9,H17,,,,,34836,bmst000059,1
17,covalent,SING,C9,H18,,,,,34836,bmst000059,1
1,covalent,SING,C1,C2,,,,,34846,bmst000063,1
2,covalent,SING,C1,N5,,,,,34846,bmst000063,1
3,covalent,SING,C1,H9,,,,,34846,bmst000063,1
4,covalent,SING,C1,H10,,,,,34846,bmst000063,1
5,covalent,DOUB,C2,C3,,,,,34846,bmst000063,1
6,covalent,SING,C2,H11,,,,,34846,bmst000063,1
7,covalent,SING,C3,C4,,,,,34846,bmst000063,1
8,covalent,SING,C3,H12,,,,,34846,bmst000063,1
9,covalent,SING,C4,N5,,,,,34846,bmst000063,1
10,covalent,SING,C4,C6,,,,,34846,bmst000063,1
11,covalent,SING,C4,H13,,,,,34846,bmst000063,1
12,covalent,SING,N5,H14,,,,,34846,bmst000063,1
13,covalent,DOUB,C6,O7,,,,,34846,bmst000063,1
14,covalent,SING,C6,O8,,,,,34846,bmst000063,1
15,covalent,SING,O8,H15,,,,,34846,bmst000063,1
1,covalent,SING,C1,C4,,,,,34856,bmst000074,1
2,covalent,DOUB,C1,O5,,,,,34856,bmst000074,1
3,covalent,SING,C1,O7,,,,,34856,bmst000074,1
4,covalent,SING,C2,C3,,,,,34856,bmst000074,1
5,covalent,DOUB,C2,O6,,,,,34856,bmst000074,1
6,covalent,SING,C2,O8,,,,,34856,bmst000074,1
7,covalent,DOUB,C3,C4,,,,,34856,bmst000074,1
8,covalent,SING,C3,H9,,,,,34856,bmst000074,1
9,covalent,SING,C4,H10,,,,,34856,bmst000074,1
10,covalent,SING,O7,H11,,,,,34856,bmst000074,1
11,covalent,SING,O8,H12,,,,,34856,bmst000074,1
1,covalent,SING,C1,C2,,,,,34866,bmst000076,1
2,covalent,DOUB,C1,O7,,,,,34866,bmst000076,1
3,covalent,SING,C1,O8,,,,,34866,bmst000076,1
4,covalent,SING,C2,C3,,,,,34866,bmst000076,1
5,covalent,SING,C2,O9,,,,,34866,bmst000076,1
6,covalent,SING,C2,H14,,,,,34866,bmst000076,1
7,covalent,SING,C3,C4,,,,,34866,bmst000076,1
8,covalent,SING,C3,O10,,,,,34866,bmst000076,1
9,covalent,SING,C3,H15,,,,,34866,bmst000076,1
10,covalent,SING,C4,C5,,,,,34866,bmst000076,1
11,covalent,SING,C4,O11,,,,,34866,bmst000076,1
12,covalent,SING,C4,H16,,,,,34866,bmst000076,1
13,covalent,SING,C5,C6,,,,,34866,bmst000076,1
14,covalent,SING,C5,O12,,,,,34866,bmst000076,1
15,covalent,SING,C5,H17,,,,,34866,bmst000076,1
16,covalent,SING,C6,O13,,,,,34866,bmst000076,1
17,covalent,SING,C6,H18,,,,,34866,bmst000076,1
18,covalent,SING,C6,H19,,,,,34866,bmst000076,1
19,covalent,SING,O8,H20,,,,,34866,bmst000076,1
20,covalent,SING,O9,H21,,,,,34866,bmst000076,1
21,covalent,SING,O10,H22,,,,,34866,bmst000076,1
22,covalent,SING,O11,H23,,,,,34866,bmst000076,1
23,covalent,SING,O12,H24,,,,,34866,bmst000076,1
24,covalent,SING,O13,H25,,,,,34866,bmst000076,1
1,covalent,DOUB,C1,O2,,,,,34876,bmst000084,1
2,covalent,SING,C1,O3,,,,,34876,bmst000084,1
3,covalent,SING,C1,C5,,,,,34876,bmst000084,1
4,covalent,SING,O3,H6,,,,,34876,bmst000084,1
5,covalent,SING,N4,C5,,,,,34876,bmst000084,1
6,covalent,SING,N4,H7,,,,,34876,bmst000084,1
7,covalent,SING,N4,H8,,,,,34876,bmst000084,1
8,covalent,SING,C5,H9,,,,,34876,bmst000084,1
9,covalent,SING,C5,H10,,,,,34876,bmst000084,1
1,covalent,SING,C1,N7,,,,,34886,bmst000086,1
2,covalent,DOUB,C1,N9,,,,,34886,bmst000086,1
3,covalent,SING,C1,H12,,,,,34886,bmst000086,1
4,covalent,DOUB,C2,C3,,,,,34886,bmst000086,1
5,covalent,SING,C2,C4,,,,,34886,bmst000086,1
6,covalent,SING,C2,N7,,,,,34886,bmst000086,1
7,covalent,SING,C3,N8,,,,,34886,bmst000086,1
8,covalent,SING,C3,N9,,,,,34886,bmst000086,1
9,covalent,SING,C4,N10,,,,,34886,bmst000086,1
10,covalent,DOUB,C4,O11,,,,,34886,bmst000086,1
11,covalent,SING,C5,N6,,,,,34886,bmst000086,1
12,covalent,SING,C5,N8,,,,,34886,bmst000086,1
13,covalent,DOUB,C5,N10,,,,,34886,bmst000086,1
14,covalent,SING,N6,H13,,,,,34886,bmst000086,1
15,covalent,SING,N6,H14,,,,,34886,bmst000086,1
16,covalent,SING,N7,H15,,,,,34886,bmst000086,1
17,covalent,SING,N8,H16,,,,,34886,bmst000086,1
1,covalent,DOUB,C1,N12,,,,,34895,bmst000087,1
2,covalent,SING,C1,N15,,,,,34895,bmst000087,1
3,covalent,SING,C1,H21,,,,,34895,bmst000087,1
4,covalent,SING,C7,C2,,,,,34895,bmst000087,1
5,covalent,SING,C2,O16,,,,,34895,bmst000087,1
6,covalent,SING,C2,H22,,,,,34895,bmst000087,1
7,covalent,SING,C2,H23,,,,,34895,bmst000087,1
8,covalent,DOUB,C3,C4,,,,,34895,bmst000087,1
9,covalent,SING,C3,C5,,,,,34895,bmst000087,1
10,covalent,SING,C3,N12,,,,,34895,bmst000087,1
11,covalent,SING,C4,N13,,,,,34895,bmst000087,1
12,covalent,SING,C4,N15,,,,,34895,bmst000087,1
13,covalent,DOUB,C5,N14,,,,,34895,bmst000087,1
14,covalent,SING,C5,O17,,,,,34895,bmst000087,1
15,covalent,SING,C6,N11,,,,,34895,bmst000087,1
16,covalent,DOUB,C6,N13,,,,,34895,bmst000087,1
17,covalent,SING,C6,N14,,,,,34895,bmst000087,1
18,covalent,SING,C7,C8,,,,,34895,bmst000087,1
19,covalent,SING,C7,O20,,,,,34895,bmst000087,1
20,covalent,SING,C7,H24,,,,,34895,bmst000087,1
21,covalent,SING,C8,C9,,,,,34895,bmst000087,1
22,covalent,SING,C8,O18,,,,,34895,bmst000087,1
23,covalent,SING,C8,H25,,,,,34895,bmst000087,1
24,covalent,SING,C9,C10,,,,,34895,bmst000087,1
25,covalent,SING,C9,O19,,,,,34895,bmst000087,1
26,covalent,SING,C9,H26,,,,,34895,bmst000087,1
27,covalent,SING,C10,N15,,,,,34895,bmst000087,1
28,covalent,SING,C10,O20,,,,,34895,bmst000087,1
29,covalent,SING,C10,H27,,,,,34895,bmst000087,1
30,covalent,SING,N11,H28,,,,,34895,bmst000087,1
31,covalent,SING,N11,H29,,,,,34895,bmst000087,1
32,covalent,SING,O16,H30,,,,,34895,bmst000087,1
33,covalent,SING,O17,H31,,,,,34895,bmst000087,1
34,covalent,SING,O18,H32,,,,,34895,bmst000087,1
35,covalent,SING,O19,H33,,,,,34895,bmst000087,1
1,covalent,DOUB,C1,C3,,,,,34905,bmst000089,1
2,covalent,SING,C1,C5,,,,,34905,bmst000089,1
3,covalent,SING,C1,H11,,,,,34905,bmst000089,1
4,covalent,SING,C2,C4,,,,,34905,bmst000089,1
5,covalent,DOUB,C2,C5,,,,,34905,bmst000089,1
6,covalent,SING,C2,H12,,,,,34905,bmst000089,1
7,covalent,SING,C3,C6,,,,,34905,bmst000089,1
8,covalent,SING,C3,H13,,,,,34905,bmst000089,1
9,covalent,DOUB,C4,C6,,,,,34905,bmst000089,1
10,covalent,SING,C4,H14,,,,,34905,bmst000089,1
11,covalent,SING,C5,C7,,,,,34905,bmst000089,1
12,covalent,SING,C6,O8,,,,,34905,bmst000089,1
13,covalent,SING,C7,O9,,,,,34905,bmst000089,1
14,covalent,DOUB,C7,O10,,,,,34905,bmst000089,1
15,covalent,SING,O8,H15,,,,,34905,bmst000089,1
16,covalent,SING,O9,H16,,,,,34905,bmst000089,1
1,covalent,DOUB,C1,C3,,,,,34915,bmst000090,1
2,covalent,SING,C1,C7,,,,,34915,bmst000090,1
3,covalent,SING,C1,H13,,,,,34915,bmst000090,1
4,covalent,SING,C2,C4,,,,,34915,bmst000090,1
5,covalent,DOUB,C2,C7,,,,,34915,bmst000090,1
6,covalent,SING,C2,H14,,,,,34915,bmst000090,1
7,covalent,SING,C3,C8,,,,,34915,bmst000090,1
8,covalent,SING,C3,H15,,,,,34915,bmst000090,1
9,covalent,DOUB,C4,C8,,,,,34915,bmst000090,1
10,covalent,SING,C4,H16,,,,,34915,bmst000090,1
11,covalent,DOUB,C5,C6,,,,,34915,bmst000090,1
12,covalent,SING,C5,C7,,,,,34915,bmst000090,1
13,covalent,SING,C5,H17,,,,,34915,bmst000090,1
14,covalent,SING,C6,C9,,,,,34915,bmst000090,1
15,covalent,SING,C6,H18,,,,,34915,bmst000090,1
16,covalent,SING,C8,O10,,,,,34915,bmst000090,1
17,covalent,SING,C9,O11,,,,,34915,bmst000090,1
18,covalent,DOUB,C9,O12,,,,,34915,bmst000090,1
19,covalent,SING,O10,H19,,,,,34915,bmst000090,1
20,covalent,SING,O11,H20,,,,,34915,bmst000090,1
1,covalent,SING,C1,N6,,,,,34925,bmst000091,1
2,covalent,DOUB,C1,N8,,,,,34925,bmst000091,1
3,covalent,SING,C1,H11,,,,,34925,bmst000091,1
4,covalent,SING,C2,N7,,,,,34925,bmst000091,1
5,covalent,DOUB,C2,N9,,,,,34925,bmst000091,1
6,covalent,SING,C2,H12,,,,,34925,bmst000091,1
7,covalent,DOUB,C3,C4,,,,,34925,bmst000091,1
8,covalent,SING,C3,C5,,,,,34925,bmst000091,1
9,covalent,SING,C3,N6,,,,,34925,bmst000091,1
10,covalent,SING,C4,N7,,,,,34925,bmst000091,1
11,covalent,SING,C4,N8,,,,,34925,bmst000091,1
12,covalent,SING,C5,N9,,,,,34925,bmst000091,1
13,covalent,DOUB,C5,O10,,,,,34925,bmst000091,1
14,covalent,SING,N6,H13,,,,,34925,bmst000091,1
15,covalent,SING,N7,H14,,,,,34925,bmst000091,1
1,covalent,SING,O1,C2,,,,,34935,bmst000092,1
2,covalent,SING,O1,H9,,,,,34935,bmst000092,1
3,covalent,SING,C2,C3,,,,,34935,bmst000092,1
4,covalent,SING,C2,H10,,,,,34935,bmst000092,1
5,covalent,SING,C2,H11,,,,,34935,bmst000092,1
6,covalent,SING,C3,C4,,,,,34935,bmst000092,1
7,covalent,SING,C3,O7,,,,,34935,bmst000092,1
8,covalent,SING,C3,H12,,,,,34935,bmst000092,1
9,covalent,SING,C4,C5,,,,,34935,bmst000092,1
10,covalent,SING,C4,O8,,,,,34935,bmst000092,1
11,covalent,SING,C4,H13,,,,,34935,bmst000092,1
12,covalent,SING,C5,O6,,,,,34935,bmst000092,1
13,covalent,SING,C5,H14,,,,,34935,bmst000092,1
14,covalent,SING,C5,H15,,,,,34935,bmst000092,1
15,covalent,SING,O6,H16,,,,,34935,bmst000092,1
16,covalent,SING,O7,H17,,,,,34935,bmst000092,1
17,covalent,SING,O8,H18,,,,,34935,bmst000092,1
1,covalent,SING,H1,C5,,,,,34945,bmst000093,1
2,covalent,SING,H2,C6,,,,,34945,bmst000093,1
3,covalent,SING,H3,C7,,,,,34945,bmst000093,1
4,covalent,SING,H4,N9,,,,,34945,bmst000093,1
5,covalent,DOUB,C5,C6,,,,,34945,bmst000093,1
6,covalent,SING,C5,N8,,,,,34945,bmst000093,1
7,covalent,SING,C6,N9,,,,,34945,bmst000093,1
8,covalent,DOUB,C7,N8,,,,,34945,bmst000093,1
9,covalent,SING,C7,N9,,,,,34945,bmst000093,1
1,covalent,DOUB,C1,C2,,,,,34955,bmst000094,1
2,covalent,SING,C1,C3,,,,,34955,bmst000094,1
3,covalent,SING,C1,H10,,,,,34955,bmst000094,1
4,covalent,SING,C2,C4,,,,,34955,bmst000094,1
5,covalent,SING,C2,H11,,,,,34955,bmst000094,1
6,covalent,DOUB,C3,C7,,,,,34955,bmst000094,1
7,covalent,SING,C3,H12,,,,,34955,bmst000094,1
8,covalent,DOUB,C4,C8,,,,,34955,bmst000094,1
9,covalent,SING,C4,H13,,,,,34955,bmst000094,1
10,covalent,DOUB,C5,C6,,,,,34955,bmst000094,1
11,covalent,SING,C5,C7,,,,,34955,bmst000094,1
12,covalent,SING,C5,H14,,,,,34955,bmst000094,1
13,covalent,SING,C6,N9,,,,,34955,bmst000094,1
14,covalent,SING,C6,H15,,,,,34955,bmst000094,1
15,covalent,SING,C7,C8,,,,,34955,bmst000094,1
16,covalent,SING,C8,N9,,,,,34955,bmst000094,1
17,covalent,SING,N9,H16,,,,,34955,bmst000094,1
1,covalent,SING,O1,C10,,,,,34965,bmst000095,1
2,covalent,SING,O1,H20,,,,,34965,bmst000095,1
3,covalent,SING,C13,O2,,,,,34965,bmst000095,1
4,covalent,SING,O2,H21,,,,,34965,bmst000095,1
5,covalent,SING,C14,O3,,,,,34965,bmst000095,1
6,covalent,SING,O3,H22,,,,,34965,bmst000095,1
7,covalent,SING,O4,C11,,,,,34965,bmst000095,1
8,covalent,SING,O4,C12,,,,,34965,bmst000095,1
9,covalent,DOUB,O5,C16,,,,,34965,bmst000095,1
10,covalent,SING,C11,N6,,,,,34965,bmst000095,1
11,covalent,SING,N6,C15,,,,,34965,bmst000095,1
12,covalent,SING,N6,C19,,,,,34965,bmst000095,1
13,covalent,SING,N7,C15,,,,,34965,bmst000095,1
14,covalent,SING,N7,C18,,,,,34965,bmst000095,1
15,covalent,SING,N7,H23,,,,,34965,bmst000095,1
16,covalent,SING,N8,C16,,,,,34965,bmst000095,1
17,covalent,DOUB,N8,C18,,,,,34965,bmst000095,1
18,covalent,SING,N9,C17,,,,,34965,bmst000095,1
19,covalent,DOUB,N9,C19,,,,,34965,bmst000095,1
20,covalent,SING,C12,C10,,,,,34965,bmst000095,1
21,covalent,SING,C10,H24,,,,,34965,bmst000095,1
22,covalent,SING,C10,H25,,,,,34965,bmst000095,1
23,covalent,SING,C11,C13,,,,,34965,bmst000095,1
24,covalent,SING,C11,H26,,,,,34965,bmst000095,1
25,covalent,SING,C12,C14,,,,,34965,bmst000095,1
26,covalent,SING,C12,H27,,,,,34965,bmst000095,1
27,covalent,SING,C13,C14,,,,,34965,bmst000095,1
28,covalent,SING,C13,H28,,,,,34965,bmst000095,1
29,covalent,SING,C14,H29,,,,,34965,bmst000095,1
30,covalent,DOUB,C15,C17,,,,,34965,bmst000095,1
31,covalent,SING,C16,C17,,,,,34965,bmst000095,1
32,covalent,SING,C18,H30,,,,,34965,bmst000095,1
33,covalent,SING,C19,H31,,,,,34965,bmst000095,1
1,covalent,DOUB,C1,O2,,,,,34975,bmst000097,1
2,covalent,SING,C1,O3,,,,,34975,bmst000097,1
3,covalent,SING,C1,C4,,,,,34975,bmst000097,1
4,covalent,SING,O3,H13,,,,,34975,bmst000097,1
5,covalent,SING,C4,N5,,,,,34975,bmst000097,1
6,covalent,SING,C4,C6,,,,,34975,bmst000097,1
7,covalent,SING,C4,H14,,,,,34975,bmst000097,1
8,covalent,SING,N5,H15,,,,,34975,bmst000097,1
9,covalent,SING,N5,H16,,,,,34975,bmst000097,1
10,covalent,SING,C6,C7,,,,,34975,bmst000097,1
11,covalent,SING,C6,H17,,,,,34975,bmst000097,1
12,covalent,SING,C6,H18,,,,,34975,bmst000097,1
13,covalent,SING,C7,C8,,,,,34975,bmst000097,1
14,covalent,SING,C7,H19,,,,,34975,bmst000097,1
15,covalent,SING,C7,H20,,,,,34975,bmst000097,1
16,covalent,SING,C8,N9,,,,,34975,bmst000097,1
17,covalent,SING,C8,H21,,,,,34975,bmst000097,1
18,covalent,SING,C8,H22,,,,,34975,bmst000097,1
19,covalent,SING,N9,C10,,,,,34975,bmst000097,1
20,covalent,SING,N9,H23,,,,,34975,bmst000097,1
21,covalent,DOUB,C10,O11,,,,,34975,bmst000097,1
22,covalent,SING,C10,N12,,,,,34975,bmst000097,1
23,covalent,SING,N12,H24,,,,,34975,bmst000097,1
24,covalent,SING,N12,H25,,,,,34975,bmst000097,1
1,covalent,SING,C1,C2,,,,,34985,bmst000098,1
2,covalent,SING,C1,C3,,,,,34985,bmst000098,1
3,covalent,SING,C1,N4,,,,,34985,bmst000098,1
4,covalent,SING,C1,H15,,,,,34985,bmst000098,1
5,covalent,SING,C2,C5,,,,,34985,bmst000098,1
6,covalent,SING,C2,H16,,,,,34985,bmst000098,1
7,covalent,SING,C2,H17,,,,,34985,bmst000098,1
8,covalent,SING,C3,O6,,,,,34985,bmst000098,1
9,covalent,DOUB,C3,O7,,,,,34985,bmst000098,1
10,covalent,SING,N4,H18,,,,,34985,bmst000098,1
11,covalent,SING,N4,H19,,,,,34985,bmst000098,1
12,covalent,SING,C5,S8,,,,,34985,bmst000098,1
13,covalent,SING,C5,H20,,,,,34985,bmst000098,1
14,covalent,SING,C5,H21,,,,,34985,bmst000098,1
15,covalent,SING,O6,H22,,,,,34985,bmst000098,1
16,covalent,SING,S8,C9,,,,,34985,bmst000098,1
17,covalent,SING,C9,C10,,,,,34985,bmst000098,1
18,covalent,SING,C9,H23,,,,,34985,bmst000098,1
19,covalent,SING,C9,H24,,,,,34985,bmst000098,1
20,covalent,SING,C10,C11,,,,,34985,bmst000098,1
21,covalent,SING,C10,N12,,,,,34985,bmst000098,1
22,covalent,SING,C10,H25,,,,,34985,bmst000098,1
23,covalent,SING,C11,O13,,,,,34985,bmst000098,1
24,covalent,DOUB,C11,O14,,,,,34985,bmst000098,1
25,covalent,SING,N12,H26,,,,,34985,bmst000098,1
26,covalent,SING,N12,H27,,,,,34985,bmst000098,1
27,covalent,SING,O13,H28,,,,,34985,bmst000098,1
1,covalent,SING,C2,N1,,,,,34995,bmst000101,1
2,covalent,SING,N1,H9,,,,,34995,bmst000101,1
3,covalent,SING,N1,H10,,,,,34995,bmst000101,1
4,covalent,SING,C2,C3,,,,,34995,bmst000101,1
5,covalent,SING,C2,C4,,,,,34995,bmst000101,1
6,covalent,SING,C2,H11,,,,,34995,bmst000101,1
7,covalent,DOUB,C3,O5,,,,,34995,bmst000101,1
8,covalent,SING,C3,O6,,,,,34995,bmst000101,1
9,covalent,SING,C4,C7,,,,,34995,bmst000101,1
10,covalent,SING,C4,H12,,,,,34995,bmst000101,1
11,covalent,SING,C4,H13,,,,,34995,bmst000101,1
12,covalent,SING,O6,H14,,,,,34995,bmst000101,1
13,covalent,SING,C7,O8,,,,,34995,bmst000101,1
14,covalent,SING,C7,H15,,,,,34995,bmst000101,1
15,covalent,SING,C7,H16,,,,,34995,bmst000101,1
16,covalent,SING,O8,H17,,,,,34995,bmst000101,1
1,covalent,SING,O1,C2,,,,,35005,bmst000105,1
2,covalent,SING,O1,H9,,,,,35005,bmst000105,1
3,covalent,SING,C2,C3,,,,,35005,bmst000105,1
4,covalent,SING,C2,H10,,,,,35005,bmst000105,1
5,covalent,SING,C2,H11,,,,,35005,bmst000105,1
6,covalent,SING,C3,C4,,,,,35005,bmst000105,1
7,covalent,SING,C3,O7,,,,,35005,bmst000105,1
8,covalent,SING,C3,H12,,,,,35005,bmst000105,1
9,covalent,SING,C4,C5,,,,,35005,bmst000105,1
10,covalent,SING,C4,O8,,,,,35005,bmst000105,1
11,covalent,SING,C4,H13,,,,,35005,bmst000105,1
12,covalent,SING,C5,O6,,,,,35005,bmst000105,1
13,covalent,SING,C5,H14,,,,,35005,bmst000105,1
14,covalent,SING,C5,H15,,,,,35005,bmst000105,1
15,covalent,SING,O6,H16,,,,,35005,bmst000105,1
16,covalent,SING,O7,H17,,,,,35005,bmst000105,1
17,covalent,SING,O8,H18,,,,,35005,bmst000105,1
1,covalent,SING,C1,C2,,,,,35015,bmst000108,1
2,covalent,SING,C1,C3,,,,,35015,bmst000108,1
3,covalent,SING,C1,O9,,,,,35015,bmst000108,1
4,covalent,SING,C1,H13,,,,,35015,bmst000108,1
5,covalent,SING,C2,C5,,,,,35015,bmst000108,1
6,covalent,SING,C2,O7,,,,,35015,bmst000108,1
7,covalent,SING,C2,H14,,,,,35015,bmst000108,1
8,covalent,SING,C3,C4,,,,,35015,bmst000108,1
9,covalent,SING,C3,O11,,,,,35015,bmst000108,1
10,covalent,SING,C3,H15,,,,,35015,bmst000108,1
11,covalent,SING,C4,C6,,,,,35015,bmst000108,1
12,covalent,SING,C4,O12,,,,,35015,bmst000108,1
13,covalent,SING,C4,H16,,,,,35015,bmst000108,1
14,covalent,SING,C5,C6,,,,,35015,bmst000108,1
15,covalent,SING,C5,O8,,,,,35015,bmst000108,1
16,covalent,SING,C5,H17,,,,,35015,bmst000108,1
17,covalent,SING,C6,O10,,,,,35015,bmst000108,1
18,covalent,SING,C6,H18,,,,,35015,bmst000108,1
19,covalent,SING,O7,H19,,,,,35015,bmst000108,1
20,covalent,SING,O8,H20,,,,,35015,bmst000108,1
21,covalent,SING,O9,H21,,,,,35015,bmst000108,1
22,covalent,SING,O10,H22,,,,,35015,bmst000108,1
23,covalent,SING,O11,H23,,,,,35015,bmst000108,1
24,covalent,SING,O12,H24,,,,,35015,bmst000108,1
1,covalent,SING,C1,C2,,,,,35025,bmst000109,1
2,covalent,SING,C1,C3,,,,,35025,bmst000109,1
3,covalent,SING,C1,O9,,,,,35025,bmst000109,1
4,covalent,SING,C1,H13,,,,,35025,bmst000109,1
5,covalent,SING,C2,C5,,,,,35025,bmst000109,1
6,covalent,SING,C2,O7,,,,,35025,bmst000109,1
7,covalent,SING,C2,H14,,,,,35025,bmst000109,1
8,covalent,SING,C3,C4,,,,,35025,bmst000109,1
9,covalent,SING,C3,O11,,,,,35025,bmst000109,1
10,covalent,SING,C3,H15,,,,,35025,bmst000109,1
11,covalent,SING,C4,C6,,,,,35025,bmst000109,1
12,covalent,SING,C4,O12,,,,,35025,bmst000109,1
13,covalent,SING,C4,H16,,,,,35025,bmst000109,1
14,covalent,SING,C5,C6,,,,,35025,bmst000109,1
15,covalent,SING,C5,O8,,,,,35025,bmst000109,1
16,covalent,SING,C5,H17,,,,,35025,bmst000109,1
17,covalent,SING,C6,O10,,,,,35025,bmst000109,1
18,covalent,SING,C6,H18,,,,,35025,bmst000109,1
19,covalent,SING,O7,H19,,,,,35025,bmst000109,1
20,covalent,SING,O8,H20,,,,,35025,bmst000109,1
21,covalent,SING,O9,H21,,,,,35025,bmst000109,1
22,covalent,SING,O10,H22,,,,,35025,bmst000109,1
23,covalent,SING,O11,H23,,,,,35025,bmst000109,1
24,covalent,SING,O12,H24,,,,,35025,bmst000109,1
1,covalent,SING,C1,C2,,,,,35035,bmst000110,1
2,covalent,SING,C1,C3,,,,,35035,bmst000110,1
3,covalent,SING,C1,N4,,,,,35035,bmst000110,1
4,covalent,SING,C1,H16,,,,,35035,bmst000110,1
5,covalent,SING,C2,C5,,,,,35035,bmst000110,1
6,covalent,SING,C2,O6,,,,,35035,bmst000110,1
7,covalent,SING,C2,H17,,,,,35035,bmst000110,1
8,covalent,SING,C3,O7,,,,,35035,bmst000110,1
9,covalent,SING,C3,O8,,,,,35035,bmst000110,1
10,covalent,SING,C3,H18,,,,,35035,bmst000110,1
11,covalent,SING,N4,C9,,,,,35035,bmst000110,1
12,covalent,SING,N4,H19,,,,,35035,bmst000110,1
13,covalent,SING,C5,C10,,,,,35035,bmst000110,1
14,covalent,SING,C5,O11,,,,,35035,bmst000110,1
15,covalent,SING,C5,H20,,,,,35035,bmst000110,1
16,covalent,SING,O6,H21,,,,,35035,bmst000110,1
17,covalent,SING,O7,C10,,,,,35035,bmst000110,1
18,covalent,SING,O8,H22,,,,,35035,bmst000110,1
19,covalent,SING,C9,C12,,,,,35035,bmst000110,1
20,covalent,DOUB,C9,O13,,,,,35035,bmst000110,1
21,covalent,SING,C10,C14,,,,,35035,bmst000110,1
22,covalent,SING,C10,H23,,,,,35035,bmst000110,1
23,covalent,SING,O11,H24,,,,,35035,bmst000110,1
24,covalent,SING,C12,H25,,,,,35035,bmst000110,1
25,covalent,SING,C12,H26,,,,,35035,bmst000110,1
26,covalent,SING,C12,H27,,,,,35035,bmst000110,1
27,covalent,SING,C14,O15,,,,,35035,bmst000110,1
28,covalent,SING,C14,H28,,,,,35035,bmst000110,1
29,covalent,SING,C14,H29,,,,,35035,bmst000110,1
30,covalent,SING,O15,H30,,,,,35035,bmst000110,1
1,covalent,DOUB,C1,C2,,,,,35045,bmst000112,1
2,covalent,SING,C1,C3,,,,,35045,bmst000112,1
3,covalent,SING,C1,H45,,,,,35045,bmst000112,1
4,covalent,SING,C2,C9,,,,,35045,bmst000112,1
5,covalent,SING,C2,H46,,,,,35045,bmst000112,1
6,covalent,DOUB,C3,N28,,,,,35045,bmst000112,1
7,covalent,SING,C3,H47,,,,,35045,bmst000112,1
8,covalent,DOUB,C4,C9,,,,,35045,bmst000112,1
9,covalent,SING,C4,N28,,,,,35045,bmst000112,1
10,covalent,SING,C4,H48,,,,,35045,bmst000112,1
11,covalent,DOUB,C5,N24,,,,,35045,bmst000112,1
12,covalent,SING,C5,N25,,,,,35045,bmst000112,1
13,covalent,SING,C5,H49,,,,,35045,bmst000112,1
14,covalent,DOUB,C6,N26,,,,,35045,bmst000112,1
15,covalent,SING,C6,N27,,,,,35045,bmst000112,1
16,covalent,SING,C6,H50,,,,,35045,bmst000112,1
17,covalent,SING,C13,C7,,,,,35045,bmst000112,1
18,covalent,SING,C7,O40,,,,,35045,bmst000112,1
19,covalent,SING,C7,H51,,,,,35045,bmst000112,1
20,covalent,SING,C7,H52,,,,,35045,bmst000112,1
21,covalent,SING,C14,C8,,,,,35045,bmst000112,1
22,covalent,SING,C8,O41,,,,,35045,bmst000112,1
23,covalent,SING,C8,H53,,,,,35045,bmst000112,1
24,covalent,SING,C8,H54,,,,,35045,bmst000112,1
25,covalent,SING,C9,C21,,,,,35045,bmst000112,1
26,covalent,DOUB,C10,C11,,,,,35045,bmst000112,1
27,covalent,SING,C10,C12,,,,,35045,bmst000112,1
28,covalent,SING,C10,N26,,,,,35045,bmst000112,1
29,covalent,SING,C11,N22,,,,,35045,bmst000112,1
30,covalent,SING,C11,N24,,,,,35045,bmst000112,1
31,covalent,DOUB,C12,N25,,,,,35045,bmst000112,1
32,covalent,SING,C12,N27,,,,,35045,bmst000112,1
33,covalent,SING,C13,C15,,,,,35045,bmst000112,1
34,covalent,SING,C13,O38,,,,,35045,bmst000112,1
35,covalent,SING,C13,H55,,,,,35045,bmst000112,1
36,covalent,SING,C14,C16,,,,,35045,bmst000112,1
37,covalent,SING,C14,O39,,,,,35045,bmst000112,1
38,covalent,SING,C14,H56,,,,,35045,bmst000112,1
39,covalent,SING,C15,C17,,,,,35045,bmst000112,1
40,covalent,SING,C15,O29,,,,,35045,bmst000112,1
41,covalent,SING,C15,H57,,,,,35045,bmst000112,1
42,covalent,SING,C16,C18,,,,,35045,bmst000112,1
43,covalent,SING,C16,O30,,,,,35045,bmst000112,1
44,covalent,SING,C16,H58,,,,,35045,bmst000112,1
45,covalent,SING,C17,C19,,,,,35045,bmst000112,1
46,covalent,SING,C17,O31,,,,,35045,bmst000112,1
47,covalent,SING,C17,H59,,,,,35045,bmst000112,1
48,covalent,SING,C18,C20,,,,,35045,bmst000112,1
49,covalent,SING,C18,O32,,,,,35045,bmst000112,1
50,covalent,SING,C18,H60,,,,,35045,bmst000112,1
51,covalent,SING,C19,N27,,,,,35045,bmst000112,1
52,covalent,SING,C19,O38,,,,,35045,bmst000112,1
53,covalent,SING,C19,H61,,,,,35045,bmst000112,1
54,covalent,SING,C20,N28,,,,,35045,bmst000112,1
55,covalent,SING,C20,O39,,,,,35045,bmst000112,1
56,covalent,SING,C20,H62,,,,,35045,bmst000112,1
57,covalent,SING,C21,N23,,,,,35045,bmst000112,1
58,covalent,DOUB,C21,O35,,,,,35045,bmst000112,1
59,covalent,SING,N22,H63,,,,,35045,bmst000112,1
60,covalent,SING,N22,H64,,,,,35045,bmst000112,1
61,covalent,SING,N23,H65,,,,,35045,bmst000112,1
62,covalent,SING,N23,H66,,,,,35045,bmst000112,1
63,covalent,SING,O29,H67,,,,,35045,bmst000112,1
64,covalent,SING,O30,H68,,,,,35045,bmst000112,1
65,covalent,SING,O31,H69,,,,,35045,bmst000112,1
66,covalent,SING,O32,H70,,,,,35045,bmst000112,1
67,covalent,SING,O33,P43,,,,,35045,bmst000112,1
68,covalent,SING,O33,H71,,,,,35045,bmst000112,1
69,covalent,SING,O34,P44,,,,,35045,bmst000112,1
70,covalent,SING,O34,H72,,,,,35045,bmst000112,1
71,covalent,DOUB,O36,P43,,,,,35045,bmst000112,1
72,covalent,DOUB,O37,P44,,,,,35045,bmst000112,1
73,covalent,SING,O40,P43,,,,,35045,bmst000112,1
74,covalent,SING,O41,P44,,,,,35045,bmst000112,1
75,covalent,SING,O42,P43,,,,,35045,bmst000112,1
76,covalent,SING,O42,P44,,,,,35045,bmst000112,1
1,covalent,DOUB,C1,N24,,,,,35055,bmst000113,1
2,covalent,SING,C1,N25,,,,,35055,bmst000113,1
3,covalent,SING,C1,H45,,,,,35055,bmst000113,1
4,covalent,DOUB,C2,N26,,,,,35055,bmst000113,1
5,covalent,SING,C2,N27,,,,,35055,bmst000113,1
6,covalent,SING,C2,H46,,,,,35055,bmst000113,1
7,covalent,SING,C3,C4,,,,,35055,bmst000113,1
8,covalent,SING,C3,C20,,,,,35055,bmst000113,1
9,covalent,SING,C3,H47,,,,,35055,bmst000113,1
10,covalent,SING,C3,H48,,,,,35055,bmst000113,1
11,covalent,DOUB,C4,C5,,,,,35055,bmst000113,1
12,covalent,SING,C4,H49,,,,,35055,bmst000113,1
13,covalent,SING,C5,N28,,,,,35055,bmst000113,1
14,covalent,SING,C5,H50,,,,,35055,bmst000113,1
15,covalent,DOUB,C6,C20,,,,,35055,bmst000113,1
16,covalent,SING,C6,N28,,,,,35055,bmst000113,1
17,covalent,SING,C6,H51,,,,,35055,bmst000113,1
18,covalent,SING,C12,C7,,,,,35055,bmst000113,1
19,covalent,SING,C7,O40,,,,,35055,bmst000113,1
20,covalent,SING,C7,H52,,,,,35055,bmst000113,1
21,covalent,SING,C7,H53,,,,,35055,bmst000113,1
22,covalent,SING,C13,C8,,,,,35055,bmst000113,1
23,covalent,SING,C8,O41,,,,,35055,bmst000113,1
24,covalent,SING,C8,H54,,,,,35055,bmst000113,1
25,covalent,SING,C8,H55,,,,,35055,bmst000113,1
26,covalent,DOUB,C9,C10,,,,,35055,bmst000113,1
27,covalent,SING,C9,C11,,,,,35055,bmst000113,1
28,covalent,SING,C9,N26,,,,,35055,bmst000113,1
29,covalent,SING,C10,N22,,,,,35055,bmst000113,1
30,covalent,SING,C10,N24,,,,,35055,bmst000113,1
31,covalent,DOUB,C11,N25,,,,,35055,bmst000113,1
32,covalent,SING,C11,N27,,,,,35055,bmst000113,1
33,covalent,SING,C12,C14,,,,,35055,bmst000113,1
34,covalent,SING,C12,O38,,,,,35055,bmst000113,1
35,covalent,SING,C12,H56,,,,,35055,bmst000113,1
36,covalent,SING,C13,C15,,,,,35055,bmst000113,1
37,covalent,SING,C13,O39,,,,,35055,bmst000113,1
38,covalent,SING,C13,H57,,,,,35055,bmst000113,1
39,covalent,SING,C14,C16,,,,,35055,bmst000113,1
40,covalent,SING,C14,O29,,,,,35055,bmst000113,1
41,covalent,SING,C14,H58,,,,,35055,bmst000113,1
42,covalent,SING,C15,C17,,,,,35055,bmst000113,1
43,covalent,SING,C15,O30,,,,,35055,bmst000113,1
44,covalent,SING,C15,H59,,,,,35055,bmst000113,1
45,covalent,SING,C16,C18,,,,,35055,bmst000113,1
46,covalent,SING,C16,O31,,,,,35055,bmst000113,1
47,covalent,SING,C16,H60,,,,,35055,bmst000113,1
48,covalent,SING,C17,C19,,,,,35055,bmst000113,1
49,covalent,SING,C17,O32,,,,,35055,bmst000113,1
50,covalent,SING,C17,H61,,,,,35055,bmst000113,1
51,covalent,SING,C18,N27,,,,,35055,bmst000113,1
52,covalent,SING,C18,O38,,,,,35055,bmst000113,1
53,covalent,SING,C18,H62,,,,,35055,bmst000113,1
54,covalent,SING,C19,N28,,,,,35055,bmst000113,1
55,covalent,SING,C19,O39,,,,,35055,bmst000113,1
56,covalent,SING,C19,H63,,,,,35055,bmst000113,1
57,covalent,SING,C20,C21,,,,,35055,bmst000113,1
58,covalent,SING,C21,N23,,,,,35055,bmst000113,1
59,covalent,DOUB,C21,O35,,,,,35055,bmst000113,1
60,covalent,SING,N22,H64,,,,,35055,bmst000113,1
61,covalent,SING,N22,H65,,,,,35055,bmst000113,1
62,covalent,SING,N23,H66,,,,,35055,bmst000113,1
63,covalent,SING,N23,H67,,,,,35055,bmst000113,1
64,covalent,SING,O29,H68,,,,,35055,bmst000113,1
65,covalent,SING,O30,H69,,,,,35055,bmst000113,1
66,covalent,SING,O31,H70,,,,,35055,bmst000113,1
67,covalent,SING,O32,H71,,,,,35055,bmst000113,1
68,covalent,SING,O33,P43,,,,,35055,bmst000113,1
69,covalent,SING,O33,H72,,,,,35055,bmst000113,1
70,covalent,SING,O34,P44,,,,,35055,bmst000113,1
71,covalent,SING,O34,H73,,,,,35055,bmst000113,1
72,covalent,DOUB,O36,P43,,,,,35055,bmst000113,1
73,covalent,DOUB,O37,P44,,,,,35055,bmst000113,1
74,covalent,SING,O40,P43,,,,,35055,bmst000113,1
75,covalent,SING,O41,P44,,,,,35055,bmst000113,1
76,covalent,SING,O42,P43,,,,,35055,bmst000113,1
77,covalent,SING,O42,P44,,,,,35055,bmst000113,1
1,covalent,SING,H1,C27,,,,,35065,bmst000114,1
2,covalent,SING,H2,C28,,,,,35065,bmst000114,1
3,covalent,SING,H3,C32,,,,,35065,bmst000114,1
4,covalent,SING,H4,C33,,,,,35065,bmst000114,1
5,covalent,SING,H5,C34,,,,,35065,bmst000114,1
6,covalent,SING,H6,C37,,,,,35065,bmst000114,1
7,covalent,SING,H7,C37,,,,,35065,bmst000114,1
8,covalent,SING,H8,C38,,,,,35065,bmst000114,1
9,covalent,SING,H9,C39,,,,,35065,bmst000114,1
10,covalent,SING,H10,C40,,,,,35065,bmst000114,1
11,covalent,SING,H11,C41,,,,,35065,bmst000114,1
12,covalent,SING,H12,C42,,,,,35065,bmst000114,1
13,covalent,SING,H13,C43,,,,,35065,bmst000114,1
14,covalent,SING,H14,C44,,,,,35065,bmst000114,1
15,covalent,SING,H15,C45,,,,,35065,bmst000114,1
16,covalent,SING,H16,C46,,,,,35065,bmst000114,1
17,covalent,SING,H17,C46,,,,,35065,bmst000114,1
18,covalent,SING,H18,C47,,,,,35065,bmst000114,1
19,covalent,SING,H19,C47,,,,,35065,bmst000114,1
20,covalent,SING,H20,N53,,,,,35065,bmst000114,1
21,covalent,SING,H21,N53,,,,,35065,bmst000114,1
22,covalent,SING,H22,N54,,,,,35065,bmst000114,1
23,covalent,SING,H23,N54,,,,,35065,bmst000114,1
24,covalent,SING,H24,O65,,,,,35065,bmst000114,1
25,covalent,SING,H25,O66,,,,,35065,bmst000114,1
26,covalent,SING,H26,O67,,,,,35065,bmst000114,1
27,covalent,DOUB,C27,N48,,,,,35065,bmst000114,1
28,covalent,SING,C27,N49,,,,,35065,bmst000114,1
29,covalent,DOUB,C28,N50,,,,,35065,bmst000114,1
30,covalent,SING,C28,N51,,,,,35065,bmst000114,1
31,covalent,DOUB,C29,C30,,,,,35065,bmst000114,1
32,covalent,SING,C29,C31,,,,,35065,bmst000114,1
33,covalent,SING,C29,N50,,,,,35065,bmst000114,1
34,covalent,SING,C30,N48,,,,,35065,bmst000114,1
35,covalent,SING,C30,N51,,,,,35065,bmst000114,1
36,covalent,DOUB,C31,N49,,,,,35065,bmst000114,1
37,covalent,SING,C31,N53,,,,,35065,bmst000114,1
38,covalent,DOUB,C32,C33,,,,,35065,bmst000114,1
39,covalent,SING,C32,C37,,,,,35065,bmst000114,1
40,covalent,SING,C33,N52,,,,,35065,bmst000114,1
41,covalent,DOUB,C34,C35,,,,,35065,bmst000114,1
42,covalent,SING,C34,N52,,,,,35065,bmst000114,1
43,covalent,SING,C35,C36,,,,,35065,bmst000114,1
44,covalent,SING,C35,C37,,,,,35065,bmst000114,1
45,covalent,SING,C36,N54,,,,,35065,bmst000114,1
46,covalent,DOUB,C36,O59,,,,,35065,bmst000114,1
47,covalent,SING,C38,C40,,,,,35065,bmst000114,1
48,covalent,SING,C38,C42,,,,,35065,bmst000114,1
49,covalent,SING,C38,O65,,,,,35065,bmst000114,1
50,covalent,SING,C39,C41,,,,,35065,bmst000114,1
51,covalent,SING,C39,C43,,,,,35065,bmst000114,1
52,covalent,SING,C39,O66,,,,,35065,bmst000114,1
53,covalent,SING,C40,C44,,,,,35065,bmst000114,1
54,covalent,SING,C40,O68,,,,,35065,bmst000114,1
55,covalent,SING,C41,C45,,,,,35065,bmst000114,1
56,covalent,SING,C41,O67,,,,,35065,bmst000114,1
57,covalent,SING,C42,C46,,,,,35065,bmst000114,1
58,covalent,SING,C42,O63,,,,,35065,bmst000114,1
59,covalent,SING,C43,C47,,,,,35065,bmst000114,1
60,covalent,SING,C43,O64,,,,,35065,bmst000114,1
61,covalent,SING,C44,N51,,,,,35065,bmst000114,1
62,covalent,SING,C44,O63,,,,,35065,bmst000114,1
63,covalent,SING,C45,N52,,,,,35065,bmst000114,1
64,covalent,SING,C45,O64,,,,,35065,bmst000114,1
65,covalent,SING,C46,O69,,,,,35065,bmst000114,1
66,covalent,SING,C47,O70,,,,,35065,bmst000114,1
67,covalent,SING,O55,P72,,,,,35065,bmst000114,1
68,covalent,SING,O55,H75,,,,,35065,bmst000114,1
69,covalent,SING,O56,P72,,,,,35065,bmst000114,1
70,covalent,SING,O56,H76,,,,,35065,bmst000114,1
71,covalent,SING,O57,P73,,,,,35065,bmst000114,1
72,covalent,SING,O57,H77,,,,,35065,bmst000114,1
73,covalent,SING,O58,P74,,,,,35065,bmst000114,1
74,covalent,SING,O58,H78,,,,,35065,bmst000114,1
75,covalent,DOUB,O60,P72,,,,,35065,bmst000114,1
76,covalent,DOUB,O61,P73,,,,,35065,bmst000114,1
77,covalent,DOUB,O62,P74,,,,,35065,bmst000114,1
78,covalent,SING,O68,P72,,,,,35065,bmst000114,1
79,covalent,SING,O69,P73,,,,,35065,bmst000114,1
80,covalent,SING,O70,P74,,,,,35065,bmst000114,1
81,covalent,SING,O71,P73,,,,,35065,bmst000114,1
82,covalent,SING,O71,P74,,,,,35065,bmst000114,1
1,covalent,DOUB,C1,C2,,,,,35075,bmst000115,1
2,covalent,SING,C1,C3,,,,,35075,bmst000115,1
3,covalent,SING,C1,H10,,,,,35075,bmst000115,1
4,covalent,SING,C2,C5,,,,,35075,bmst000115,1
5,covalent,SING,C2,H11,,,,,35075,bmst000115,1
6,covalent,DOUB,C3,N7,,,,,35075,bmst000115,1
7,covalent,SING,C3,H12,,,,,35075,bmst000115,1
8,covalent,DOUB,C4,C5,,,,,35075,bmst000115,1
9,covalent,SING,C4,N7,,,,,35075,bmst000115,1
10,covalent,SING,C4,H13,,,,,35075,bmst000115,1
11,covalent,SING,C5,C6,,,,,35075,bmst000115,1
12,covalent,SING,C6,O8,,,,,35075,bmst000115,1
13,covalent,DOUB,C6,O9,,,,,35075,bmst000115,1
14,covalent,SING,O8,H14,,,,,35075,bmst000115,1
1,covalent,SING,C1,N12,,,,,35085,bmst000117,1
2,covalent,SING,C1,H13,,,,,35085,bmst000117,1
3,covalent,SING,C1,H14,,,,,35085,bmst000117,1
4,covalent,SING,C1,H15,,,,,35085,bmst000117,1
5,covalent,DOUB,C2,C3,,,,,35085,bmst000117,1
6,covalent,SING,C2,C4,,,,,35085,bmst000117,1
7,covalent,SING,C2,H16,,,,,35085,bmst000117,1
8,covalent,SING,C3,C9,,,,,35085,bmst000117,1
9,covalent,SING,C3,H17,,,,,35085,bmst000117,1
10,covalent,DOUB,C4,N11,,,,,35085,bmst000117,1
11,covalent,SING,C4,H18,,,,,35085,bmst000117,1
12,covalent,DOUB,C5,C9,,,,,35085,bmst000117,1
13,covalent,SING,C5,N11,,,,,35085,bmst000117,1
14,covalent,SING,C5,H19,,,,,35085,bmst000117,1
15,covalent,SING,C6,C7,,,,,35085,bmst000117,1
16,covalent,SING,C6,C8,,,,,35085,bmst000117,1
17,covalent,SING,C6,H20,,,,,35085,bmst000117,1
18,covalent,SING,C6,H21,,,,,35085,bmst000117,1
19,covalent,SING,C7,C10,,,,,35085,bmst000117,1
20,covalent,SING,C7,H22,,,,,35085,bmst000117,1
21,covalent,SING,C7,H23,,,,,35085,bmst000117,1
22,covalent,SING,C8,N12,,,,,35085,bmst000117,1
23,covalent,SING,C8,H24,,,,,35085,bmst000117,1
24,covalent,SING,C8,H25,,,,,35085,bmst000117,1
25,covalent,SING,C10,C9,,,,,35085,bmst000117,1
26,covalent,SING,C10,N12,,,,,35085,bmst000117,1
27,covalent,SING,C10,H26,,,,,35085,bmst000117,1
1,covalent,SING,C1,O2,,,,,35095,bmst000119,1
2,covalent,SING,C1,C3,,,,,35095,bmst000119,1
3,covalent,DOUB,C1,O4,,,,,35095,bmst000119,1
4,covalent,SING,O2,C5,,,,,35095,bmst000119,1
5,covalent,SING,C3,C6,,,,,35095,bmst000119,1
6,covalent,SING,C3,H16,,,,,35095,bmst000119,1
7,covalent,SING,C3,H17,,,,,35095,bmst000119,1
8,covalent,SING,C5,C7,,,,,35095,bmst000119,1
9,covalent,SING,C5,H18,,,,,35095,bmst000119,1
10,covalent,SING,C5,H19,,,,,35095,bmst000119,1
11,covalent,SING,C6,C8,,,,,35095,bmst000119,1
12,covalent,SING,C6,H20,,,,,35095,bmst000119,1
13,covalent,SING,C6,H21,,,,,35095,bmst000119,1
14,covalent,SING,C7,C9,,,,,35095,bmst000119,1
15,covalent,SING,C7,H22,,,,,35095,bmst000119,1
16,covalent,SING,C7,H23,,,,,35095,bmst000119,1
17,covalent,SING,C8,O10,,,,,35095,bmst000119,1
18,covalent,DOUB,C8,O11,,,,,35095,bmst000119,1
19,covalent,SING,C9,C12,,,,,35095,bmst000119,1
20,covalent,SING,C9,N13,,,,,35095,bmst000119,1
21,covalent,SING,C9,H24,,,,,35095,bmst000119,1
22,covalent,SING,O10,H25,,,,,35095,bmst000119,1
23,covalent,SING,C12,O14,,,,,35095,bmst000119,1
24,covalent,DOUB,C12,O15,,,,,35095,bmst000119,1
25,covalent,SING,N13,H26,,,,,35095,bmst000119,1
26,covalent,SING,N13,H27,,,,,35095,bmst000119,1
27,covalent,SING,O14,H28,,,,,35095,bmst000119,1
1,covalent,SING,C1,C2,,,,,35105,bmst000123,1
2,covalent,SING,C1,C6,,,,,35105,bmst000123,1
3,covalent,SING,C1,C7,,,,,35105,bmst000123,1
4,covalent,SING,C1,C8,,,,,35105,bmst000123,1
5,covalent,DOUB,C2,C3,,,,,35105,bmst000123,1
6,covalent,SING,C2,H18,,,,,35105,bmst000123,1
7,covalent,SING,C3,C4,,,,,35105,bmst000123,1
8,covalent,SING,C3,H19,,,,,35105,bmst000123,1
9,covalent,SING,C4,C5,,,,,35105,bmst000123,1
10,covalent,SING,C4,O11,,,,,35105,bmst000123,1
11,covalent,SING,C4,H20,,,,,35105,bmst000123,1
12,covalent,DOUB,C5,C6,,,,,35105,bmst000123,1
13,covalent,SING,C5,H21,,,,,35105,bmst000123,1
14,covalent,SING,C6,H22,,,,,35105,bmst000123,1
15,covalent,DOUB,C7,O12,,,,,35105,bmst000123,1
16,covalent,SING,C7,O13,,,,,35105,bmst000123,1
17,covalent,SING,C8,C9,,,,,35105,bmst000123,1
18,covalent,SING,C8,H23,,,,,35105,bmst000123,1
19,covalent,SING,C8,H24,,,,,35105,bmst000123,1
20,covalent,SING,C9,C10,,,,,35105,bmst000123,1
21,covalent,DOUB,C9,O14,,,,,35105,bmst000123,1
22,covalent,DOUB,C10,O15,,,,,35105,bmst000123,1
23,covalent,SING,C10,O16,,,,,35105,bmst000123,1
24,covalent,SING,O11,H17,,,,,35105,bmst000123,1
25,covalent,SING,O13,H25,,,,,35105,bmst000123,1
26,covalent,SING,O16,H26,,,,,35105,bmst000123,1
1,covalent,SING,N1,C4,,,,,35115,bmst000125,1
2,covalent,SING,N1,H7,,,,,35115,bmst000125,1
3,covalent,SING,N1,H8,,,,,35115,bmst000125,1
4,covalent,SING,N2,C3,,,,,35115,bmst000125,1
5,covalent,SING,N2,H9,,,,,35115,bmst000125,1
6,covalent,SING,N2,H10,,,,,35115,bmst000125,1
7,covalent,SING,C3,C6,,,,,35115,bmst000125,1
8,covalent,SING,C3,H11,,,,,35115,bmst000125,1
9,covalent,SING,C3,H12,,,,,35115,bmst000125,1
10,covalent,SING,C4,C5,,,,,35115,bmst000125,1
11,covalent,SING,C4,H13,,,,,35115,bmst000125,1
12,covalent,SING,C4,H14,,,,,35115,bmst000125,1
13,covalent,SING,C5,C6,,,,,35115,bmst000125,1
14,covalent,SING,C5,H15,,,,,35115,bmst000125,1
15,covalent,SING,C5,H16,,,,,35115,bmst000125,1
16,covalent,SING,C6,H17,,,,,35115,bmst000125,1
17,covalent,SING,C6,H18,,,,,35115,bmst000125,1
1,covalent,SING,C1,C5,,,,,35125,bmst000126,1
2,covalent,SING,C1,H13,,,,,35125,bmst000126,1
3,covalent,SING,C1,H14,,,,,35125,bmst000126,1
4,covalent,SING,C1,H15,,,,,35125,bmst000126,1
5,covalent,DOUB,C2,C6,,,,,35125,bmst000126,1
6,covalent,SING,C2,N9,,,,,35125,bmst000126,1
7,covalent,SING,C2,H16,,,,,35125,bmst000126,1
8,covalent,SING,C3,C6,,,,,35125,bmst000126,1
9,covalent,SING,C3,O10,,,,,35125,bmst000126,1
10,covalent,SING,C3,H17,,,,,35125,bmst000126,1
11,covalent,SING,C3,H18,,,,,35125,bmst000126,1
12,covalent,SING,C4,C7,,,,,35125,bmst000126,1
13,covalent,DOUB,C4,O12,,,,,35125,bmst000126,1
14,covalent,SING,C4,H19,,,,,35125,bmst000126,1
15,covalent,SING,C5,C8,,,,,35125,bmst000126,1
16,covalent,DOUB,C5,N9,,,,,35125,bmst000126,1
17,covalent,SING,C6,C7,,,,,35125,bmst000126,1
18,covalent,DOUB,C7,C8,,,,,35125,bmst000126,1
19,covalent,SING,C8,O11,,,,,35125,bmst000126,1
20,covalent,SING,O10,H20,,,,,35125,bmst000126,1
21,covalent,SING,O11,H21,,,,,35125,bmst000126,1
1,covalent,SING,C1,C5,,,,,35135,bmst000127,1
2,covalent,SING,C1,H17,,,,,35135,bmst000127,1
3,covalent,SING,C1,H18,,,,,35135,bmst000127,1
4,covalent,SING,C1,H19,,,,,35135,bmst000127,1
5,covalent,DOUB,C2,C6,,,,,35135,bmst000127,1
6,covalent,SING,C2,N9,,,,,35135,bmst000127,1
7,covalent,SING,C2,H20,,,,,35135,bmst000127,1
8,covalent,SING,C3,C6,,,,,35135,bmst000127,1
9,covalent,SING,C3,O15,,,,,35135,bmst000127,1
10,covalent,SING,C3,H21,,,,,35135,bmst000127,1
11,covalent,SING,C3,H22,,,,,35135,bmst000127,1
12,covalent,SING,C4,C7,,,,,35135,bmst000127,1
13,covalent,DOUB,C4,O13,,,,,35135,bmst000127,1
14,covalent,SING,C4,H23,,,,,35135,bmst000127,1
15,covalent,SING,C5,C8,,,,,35135,bmst000127,1
16,covalent,DOUB,C5,N9,,,,,35135,bmst000127,1
17,covalent,SING,C6,C7,,,,,35135,bmst000127,1
18,covalent,DOUB,C7,C8,,,,,35135,bmst000127,1
19,covalent,SING,C8,O10,,,,,35135,bmst000127,1
20,covalent,SING,O10,H24,,,,,35135,bmst000127,1
21,covalent,SING,O11,P16,,,,,35135,bmst000127,1
22,covalent,SING,O11,H25,,,,,35135,bmst000127,1
23,covalent,SING,O12,P16,,,,,35135,bmst000127,1
24,covalent,SING,O12,H26,,,,,35135,bmst000127,1
25,covalent,DOUB,O14,P16,,,,,35135,bmst000127,1
26,covalent,SING,O15,P16,,,,,35135,bmst000127,1
1,covalent,SING,C1,S27,,,,,35145,bmst000131,1
2,covalent,SING,C1,H28,,,,,35145,bmst000131,1
3,covalent,SING,C1,H29,,,,,35145,bmst000131,1
4,covalent,SING,C1,H30,,,,,35145,bmst000131,1
5,covalent,DOUB,C2,N18,,,,,35145,bmst000131,1
6,covalent,SING,C2,N19,,,,,35145,bmst000131,1
7,covalent,SING,C2,H31,,,,,35145,bmst000131,1
8,covalent,DOUB,C3,N20,,,,,35145,bmst000131,1
9,covalent,SING,C3,N21,,,,,35145,bmst000131,1
10,covalent,SING,C3,H32,,,,,35145,bmst000131,1
11,covalent,SING,C4,C5,,,,,35145,bmst000131,1
12,covalent,SING,C4,C14,,,,,35145,bmst000131,1
13,covalent,SING,C4,H33,,,,,35145,bmst000131,1
14,covalent,SING,C4,H34,,,,,35145,bmst000131,1
15,covalent,SING,C5,S27,,,,,35145,bmst000131,1
16,covalent,SING,C5,H35,,,,,35145,bmst000131,1
17,covalent,SING,C5,H36,,,,,35145,bmst000131,1
18,covalent,SING,C10,C6,,,,,35145,bmst000131,1
19,covalent,SING,C6,S27,,,,,35145,bmst000131,1
20,covalent,SING,C6,H37,,,,,35145,bmst000131,1
21,covalent,SING,C6,H38,,,,,35145,bmst000131,1
22,covalent,DOUB,C7,C8,,,,,35145,bmst000131,1
23,covalent,SING,C7,C9,,,,,35145,bmst000131,1
24,covalent,SING,C7,N20,,,,,35145,bmst000131,1
25,covalent,SING,C8,N16,,,,,35145,bmst000131,1
26,covalent,SING,C8,N18,,,,,35145,bmst000131,1
27,covalent,DOUB,C9,N19,,,,,35145,bmst000131,1
28,covalent,SING,C9,N21,,,,,35145,bmst000131,1
29,covalent,SING,C10,C11,,,,,35145,bmst000131,1
30,covalent,SING,C10,O26,,,,,35145,bmst000131,1
31,covalent,SING,C10,H39,,,,,35145,bmst000131,1
32,covalent,SING,C11,C12,,,,,35145,bmst000131,1
33,covalent,SING,C11,O22,,,,,35145,bmst000131,1
34,covalent,SING,C11,H40,,,,,35145,bmst000131,1
35,covalent,SING,C12,C13,,,,,35145,bmst000131,1
36,covalent,SING,C12,O23,,,,,35145,bmst000131,1
37,covalent,SING,C12,H41,,,,,35145,bmst000131,1
38,covalent,SING,C13,N21,,,,,35145,bmst000131,1
39,covalent,SING,C13,O26,,,,,35145,bmst000131,1
40,covalent,SING,C13,H42,,,,,35145,bmst000131,1
41,covalent,SING,C14,C15,,,,,35145,bmst000131,1
42,covalent,SING,C14,N17,,,,,35145,bmst000131,1
43,covalent,SING,C14,H43,,,,,35145,bmst000131,1
44,covalent,SING,C15,O24,,,,,35145,bmst000131,1
45,covalent,DOUB,C15,O25,,,,,35145,bmst000131,1
46,covalent,SING,N16,H44,,,,,35145,bmst000131,1
47,covalent,SING,N16,H45,,,,,35145,bmst000131,1
48,covalent,SING,N17,H46,,,,,35145,bmst000131,1
49,covalent,SING,N17,H47,,,,,35145,bmst000131,1
50,covalent,SING,O22,H48,,,,,35145,bmst000131,1
51,covalent,SING,O23,H49,,,,,35145,bmst000131,1
52,covalent,SING,O24,H50,,,,,35145,bmst000131,1
1,covalent,SING,C1,N6,,,,,35155,bmst000151,1
2,covalent,DOUB,C1,N9,,,,,35155,bmst000151,1
3,covalent,SING,C1,H12,,,,,35155,bmst000151,1
4,covalent,DOUB,C2,C3,,,,,35155,bmst000151,1
5,covalent,SING,C2,C4,,,,,35155,bmst000151,1
6,covalent,SING,C2,N6,,,,,35155,bmst000151,1
7,covalent,SING,C3,N7,,,,,35155,bmst000151,1
8,covalent,SING,C3,N9,,,,,35155,bmst000151,1
9,covalent,SING,C4,N8,,,,,35155,bmst000151,1
10,covalent,DOUB,C4,O10,,,,,35155,bmst000151,1
11,covalent,SING,C5,N7,,,,,35155,bmst000151,1
12,covalent,SING,C5,N8,,,,,35155,bmst000151,1
13,covalent,DOUB,C5,O11,,,,,35155,bmst000151,1
14,covalent,SING,N6,H13,,,,,35155,bmst000151,1
15,covalent,SING,N7,H14,,,,,35155,bmst000151,1
16,covalent,SING,N8,H15,,,,,35155,bmst000151,1
1,covalent,SING,C1,N4,,,,,35165,bmst000154,1
2,covalent,SING,C1,H7,,,,,35165,bmst000154,1
3,covalent,SING,C1,H8,,,,,35165,bmst000154,1
4,covalent,SING,C1,H9,,,,,35165,bmst000154,1
5,covalent,SING,C2,N4,,,,,35165,bmst000154,1
6,covalent,DOUB,C2,O5,,,,,35165,bmst000154,1
7,covalent,SING,C2,N6,,,,,35165,bmst000154,1
8,covalent,SING,C3,N6,,,,,35165,bmst000154,1
9,covalent,SING,C3,H10,,,,,35165,bmst000154,1
10,covalent,SING,C3,H11,,,,,35165,bmst000154,1
11,covalent,SING,C3,H12,,,,,35165,bmst000154,1
12,covalent,SING,N4,H13,,,,,35165,bmst000154,1
13,covalent,SING,N6,H14,,,,,35165,bmst000154,1
1,covalent,SING,C1,C2,,,,,35175,bmst000156,1
2,covalent,SING,C1,H9,,,,,35175,bmst000156,1
3,covalent,SING,C1,H10,,,,,35175,bmst000156,1
4,covalent,SING,C1,H11,,,,,35175,bmst000156,1
5,covalent,SING,C2,C3,,,,,35175,bmst000156,1
6,covalent,SING,C2,H12,,,,,35175,bmst000156,1
7,covalent,SING,C2,H13,,,,,35175,bmst000156,1
8,covalent,DOUB,C3,N6,,,,,35175,bmst000156,1
9,covalent,SING,C3,S8,,,,,35175,bmst000156,1
10,covalent,SING,C4,N5,,,,,35175,bmst000156,1
11,covalent,DOUB,C4,N7,,,,,35175,bmst000156,1
12,covalent,SING,C4,S8,,,,,35175,bmst000156,1
13,covalent,SING,N5,H14,,,,,35175,bmst000156,1
14,covalent,SING,N5,H15,,,,,35175,bmst000156,1
15,covalent,SING,N6,N7,,,,,35175,bmst000156,1
1,covalent,DOUB,C1,N12,,,,,35184,bmst000158,1
2,covalent,SING,C1,N15,,,,,35184,bmst000158,1
3,covalent,SING,C1,H32,,,,,35184,bmst000158,1
4,covalent,SING,C2,C8,,,,,35184,bmst000158,1
5,covalent,SING,C2,C9,,,,,35184,bmst000158,1
6,covalent,SING,C2,H33,,,,,35184,bmst000158,1
7,covalent,SING,C2,H34,,,,,35184,bmst000158,1
8,covalent,SING,C10,C3,,,,,35184,bmst000158,1
9,covalent,SING,C3,O26,,,,,35184,bmst000158,1
10,covalent,SING,C3,H35,,,,,35184,bmst000158,1
11,covalent,SING,C3,H36,,,,,35184,bmst000158,1
12,covalent,DOUB,C4,C5,,,,,35184,bmst000158,1
13,covalent,SING,C4,C6,,,,,35184,bmst000158,1
14,covalent,SING,C4,N12,,,,,35184,bmst000158,1
15,covalent,SING,C5,N13,,,,,35184,bmst000158,1
16,covalent,SING,C5,N15,,,,,35184,bmst000158,1
17,covalent,DOUB,C6,N14,,,,,35184,bmst000158,1
18,covalent,SING,C6,O16,,,,,35184,bmst000158,1
19,covalent,SING,C7,N11,,,,,35184,bmst000158,1
20,covalent,DOUB,C7,N13,,,,,35184,bmst000158,1
21,covalent,SING,C7,N14,,,,,35184,bmst000158,1
22,covalent,SING,C8,C10,,,,,35184,bmst000158,1
23,covalent,SING,C8,O17,,,,,35184,bmst000158,1
24,covalent,SING,C8,H37,,,,,35184,bmst000158,1
25,covalent,SING,C9,N15,,,,,35184,bmst000158,1
26,covalent,SING,C9,O25,,,,,35184,bmst000158,1
27,covalent,SING,C9,H38,,,,,35184,bmst000158,1
28,covalent,SING,C10,O25,,,,,35184,bmst000158,1
29,covalent,SING,C10,H39,,,,,35184,bmst000158,1
30,covalent,SING,N11,H40,,,,,35184,bmst000158,1
31,covalent,SING,N11,H41,,,,,35184,bmst000158,1
32,covalent,SING,O16,H42,,,,,35184,bmst000158,1
33,covalent,SING,O17,H43,,,,,35184,bmst000158,1
34,covalent,SING,O18,P29,,,,,35184,bmst000158,1
35,covalent,SING,O18,H44,,,,,35184,bmst000158,1
36,covalent,SING,O19,P29,,,,,35184,bmst000158,1
37,covalent,SING,O19,H45,,,,,35184,bmst000158,1
38,covalent,SING,O20,P30,,,,,35184,bmst000158,1
39,covalent,SING,O20,H46,,,,,35184,bmst000158,1
40,covalent,SING,O21,P31,,,,,35184,bmst000158,1
41,covalent,SING,O21,H47,,,,,35184,bmst000158,1
42,covalent,DOUB,O22,P29,,,,,35184,bmst000158,1
43,covalent,DOUB,O23,P30,,,,,35184,bmst000158,1
44,covalent,DOUB,O24,P31,,,,,35184,bmst000158,1
45,covalent,SING,O26,P30,,,,,35184,bmst000158,1
46,covalent,SING,O27,P29,,,,,35184,bmst000158,1
47,covalent,SING,O27,P31,,,,,35184,bmst000158,1
48,covalent,SING,O28,P30,,,,,35184,bmst000158,1
49,covalent,SING,O28,P31,,,,,35184,bmst000158,1
1,covalent,SING,C1,C2,,,,,35194,bmst000159,1
2,covalent,SING,C1,C6,,,,,35194,bmst000159,1
3,covalent,SING,C1,O7,,,,,35194,bmst000159,1
4,covalent,SING,C1,H8,,,,,35194,bmst000159,1
5,covalent,SING,C2,C3,,,,,35194,bmst000159,1
6,covalent,SING,C2,H9,,,,,35194,bmst000159,1
7,covalent,SING,C2,H10,,,,,35194,bmst000159,1
8,covalent,SING,C3,O4,,,,,35194,bmst000159,1
9,covalent,DOUB,C3,O5,,,,,35194,bmst000159,1
10,covalent,SING,O4,H11,,,,,35194,bmst000159,1
11,covalent,SING,C6,H12,,,,,35194,bmst000159,1
12,covalent,SING,C6,H13,,,,,35194,bmst000159,1
13,covalent,SING,C6,H14,,,,,35194,bmst000159,1
14,covalent,SING,O7,H15,,,,,35194,bmst000159,1
1,covalent,SING,O1,C6,,,,,35204,bmst000160,1
2,covalent,SING,O1,C7,,,,,35204,bmst000160,1
3,covalent,SING,N2,C4,,,,,35204,bmst000160,1
4,covalent,SING,N2,H10,,,,,35204,bmst000160,1
5,covalent,SING,N2,H11,,,,,35204,bmst000160,1
6,covalent,SING,N3,C5,,,,,35204,bmst000160,1
7,covalent,SING,N3,C8,,,,,35204,bmst000160,1
8,covalent,SING,N3,C9,,,,,35204,bmst000160,1
9,covalent,SING,C4,C5,,,,,35204,bmst000160,1
10,covalent,SING,C4,H12,,,,,35204,bmst000160,1
11,covalent,SING,C4,H13,,,,,35204,bmst000160,1
12,covalent,SING,C5,H14,,,,,35204,bmst000160,1
13,covalent,SING,C5,H15,,,,,35204,bmst000160,1
14,covalent,SING,C6,C8,,,,,35204,bmst000160,1
15,covalent,SING,C6,H16,,,,,35204,bmst000160,1
16,covalent,SING,C6,H17,,,,,35204,bmst000160,1
17,covalent,SING,C7,C9,,,,,35204,bmst000160,1
18,covalent,SING,C7,H18,,,,,35204,bmst000160,1
19,covalent,SING,C7,H19,,,,,35204,bmst000160,1
20,covalent,SING,C8,H20,,,,,35204,bmst000160,1
21,covalent,SING,C8,H21,,,,,35204,bmst000160,1
22,covalent,SING,C9,H22,,,,,35204,bmst000160,1
23,covalent,SING,C9,H23,,,,,35204,bmst000160,1
1,covalent,SING,H1,C14,,,,,35214,bmst000161,1
2,covalent,SING,H2,C15,,,,,35214,bmst000161,1
3,covalent,SING,H3,C16,,,,,35214,bmst000161,1
4,covalent,SING,H4,C17,,,,,35214,bmst000161,1
5,covalent,SING,H5,C18,,,,,35214,bmst000161,1
6,covalent,SING,H6,C23,,,,,35214,bmst000161,1
7,covalent,SING,H7,C23,,,,,35214,bmst000161,1
8,covalent,SING,H8,C23,,,,,35214,bmst000161,1
9,covalent,SING,H9,C24,,,,,35214,bmst000161,1
10,covalent,SING,H10,C24,,,,,35214,bmst000161,1
11,covalent,SING,H11,C24,,,,,35214,bmst000161,1
12,covalent,SING,H12,N27,,,,,35214,bmst000161,1
13,covalent,SING,H13,N27,,,,,35214,bmst000161,1
14,covalent,DOUB,C14,C15,,,,,35214,bmst000161,1
15,covalent,SING,C14,C16,,,,,35214,bmst000161,1
16,covalent,SING,C15,C17,,,,,35214,bmst000161,1
17,covalent,DOUB,C16,C18,,,,,35214,bmst000161,1
18,covalent,DOUB,C17,C19,,,,,35214,bmst000161,1
19,covalent,SING,C18,C19,,,,,35214,bmst000161,1
20,covalent,SING,C19,N25,,,,,35214,bmst000161,1
21,covalent,DOUB,C20,C21,,,,,35214,bmst000161,1
22,covalent,SING,C20,C22,,,,,35214,bmst000161,1
23,covalent,SING,C20,N27,,,,,35214,bmst000161,1
24,covalent,SING,C21,C23,,,,,35214,bmst000161,1
25,covalent,SING,C21,N26,,,,,35214,bmst000161,1
26,covalent,SING,C22,N25,,,,,35214,bmst000161,1
27,covalent,DOUB,C22,O28,,,,,35214,bmst000161,1
28,covalent,SING,C24,N26,,,,,35214,bmst000161,1
29,covalent,SING,N25,N26,,,,,35214,bmst000161,1
1,covalent,SING,H1,C8,,,,,35224,bmst000162,1
2,covalent,SING,H2,C9,,,,,35224,bmst000162,1
3,covalent,SING,H3,C10,,,,,35224,bmst000162,1
4,covalent,SING,H4,C11,,,,,35224,bmst000162,1
5,covalent,SING,H5,N15,,,,,35224,bmst000162,1
6,covalent,SING,H6,N15,,,,,35224,bmst000162,1
7,covalent,SING,H7,O17,,,,,35224,bmst000162,1
8,covalent,DOUB,C8,C10,,,,,35224,bmst000162,1
9,covalent,SING,C8,C12,,,,,35224,bmst000162,1
10,covalent,SING,C9,C11,,,,,35224,bmst000162,1
11,covalent,DOUB,C9,C12,,,,,35224,bmst000162,1
12,covalent,SING,C10,C13,,,,,35224,bmst000162,1
13,covalent,DOUB,C11,C13,,,,,35224,bmst000162,1
14,covalent,SING,C12,C14,,,,,35224,bmst000162,1
15,covalent,SING,C13,N15,,,,,35224,bmst000162,1
16,covalent,DOUB,C14,O16,,,,,35224,bmst000162,1
17,covalent,SING,C14,O17,,,,,35224,bmst000162,1
1,covalent,DOUB,C1,C3,,,,,35234,bmst000163,1
2,covalent,SING,C1,C7,,,,,35234,bmst000163,1
3,covalent,SING,C1,H11,,,,,35234,bmst000163,1
4,covalent,SING,C2,C4,,,,,35234,bmst000163,1
5,covalent,DOUB,C2,C7,,,,,35234,bmst000163,1
6,covalent,SING,C2,H12,,,,,35234,bmst000163,1
7,covalent,SING,C3,C8,,,,,35234,bmst000163,1
8,covalent,SING,C3,H13,,,,,35234,bmst000163,1
9,covalent,DOUB,C4,C8,,,,,35234,bmst000163,1
10,covalent,SING,C4,H14,,,,,35234,bmst000163,1
11,covalent,SING,C5,C6,,,,,35234,bmst000163,1
12,covalent,SING,C5,C7,,,,,35234,bmst000163,1
13,covalent,SING,C5,H15,,,,,35234,bmst000163,1
14,covalent,SING,C5,H16,,,,,35234,bmst000163,1
15,covalent,SING,C6,O9,,,,,35234,bmst000163,1
16,covalent,SING,C6,H17,,,,,35234,bmst000163,1
17,covalent,SING,C6,H18,,,,,35234,bmst000163,1
18,covalent,SING,C8,O10,,,,,35234,bmst000163,1
19,covalent,SING,O9,H19,,,,,35234,bmst000163,1
20,covalent,SING,O10,H20,,,,,35234,bmst000163,1
1,covalent,SING,C1,C8,,,,,35244,bmst000164,1
2,covalent,SING,C1,H13,,,,,35244,bmst000164,1
3,covalent,SING,C1,H14,,,,,35244,bmst000164,1
4,covalent,SING,C1,H15,,,,,35244,bmst000164,1
5,covalent,DOUB,C2,C3,,,,,35244,bmst000164,1
6,covalent,SING,C2,C5,,,,,35244,bmst000164,1
7,covalent,SING,C2,H16,,,,,35244,bmst000164,1
8,covalent,SING,C3,C6,,,,,35244,bmst000164,1
9,covalent,SING,C3,H17,,,,,35244,bmst000164,1
10,covalent,DOUB,C4,C5,,,,,35244,bmst000164,1
11,covalent,SING,C4,C7,,,,,35244,bmst000164,1
12,covalent,SING,C4,H18,,,,,35244,bmst000164,1
13,covalent,SING,C5,N10,,,,,35244,bmst000164,1
14,covalent,DOUB,C6,C7,,,,,35244,bmst000164,1
15,covalent,SING,C6,Cl12,,,,,35244,bmst000164,1
16,covalent,SING,C7,N9,,,,,35244,bmst000164,1
17,covalent,SING,C8,N10,,,,,35244,bmst000164,1
18,covalent,DOUB,C8,O11,,,,,35244,bmst000164,1
19,covalent,SING,N9,H19,,,,,35244,bmst000164,1
20,covalent,SING,N9,H20,,,,,35244,bmst000164,1
21,covalent,SING,N10,H21,,,,,35244,bmst000164,1
1,covalent,SING,C1,C2,,,,,35254,bmst000165,1
2,covalent,SING,C1,O7,,,,,35254,bmst000165,1
3,covalent,DOUB,C1,O8,,,,,35254,bmst000165,1
4,covalent,SING,C2,C3,,,,,35254,bmst000165,1
5,covalent,SING,C2,O9,,,,,35254,bmst000165,1
6,covalent,SING,C2,H18,,,,,35254,bmst000165,1
7,covalent,SING,C3,C4,,,,,35254,bmst000165,1
8,covalent,SING,C3,O10,,,,,35254,bmst000165,1
9,covalent,SING,C3,H19,,,,,35254,bmst000165,1
10,covalent,SING,C4,C5,,,,,35254,bmst000165,1
11,covalent,SING,C4,O11,,,,,35254,bmst000165,1
12,covalent,SING,C4,H20,,,,,35254,bmst000165,1
13,covalent,SING,C5,C6,,,,,35254,bmst000165,1
14,covalent,SING,C5,O12,,,,,35254,bmst000165,1
15,covalent,SING,C5,H21,,,,,35254,bmst000165,1
16,covalent,SING,C6,O13,,,,,35254,bmst000165,1
17,covalent,SING,C6,H22,,,,,35254,bmst000165,1
18,covalent,SING,C6,H23,,,,,35254,bmst000165,1
19,covalent,SING,O7,H24,,,,,35254,bmst000165,1
20,covalent,SING,O9,H25,,,,,35254,bmst000165,1
21,covalent,SING,O10,H26,,,,,35254,bmst000165,1
22,covalent,SING,O11,H27,,,,,35254,bmst000165,1
23,covalent,SING,O12,H28,,,,,35254,bmst000165,1
24,covalent,SING,O13,P14,,,,,35254,bmst000165,1
25,covalent,DOUB,P14,O15,,,,,35254,bmst000165,1
26,covalent,SING,P14,O16,,,,,35254,bmst000165,1
27,covalent,SING,P14,O17,,,,,35254,bmst000165,1
28,covalent,SING,O16,H29,,,,,35254,bmst000165,1
29,covalent,SING,O17,H30,,,,,35254,bmst000165,1
1,covalent,SING,N1,C2,,,,,35264,bmst000166,1
2,covalent,SING,N1,C6,,,,,35264,bmst000166,1
3,covalent,SING,N1,C10,,,,,35264,bmst000166,1
4,covalent,SING,C2,C3,,,,,35264,bmst000166,1
5,covalent,SING,C2,H14,,,,,35264,bmst000166,1
6,covalent,SING,C2,H15,,,,,35264,bmst000166,1
7,covalent,DOUB,C3,O4,,,,,35264,bmst000166,1
8,covalent,SING,C3,O5,,,,,35264,bmst000166,1
9,covalent,SING,O5,H16,,,,,35264,bmst000166,1
10,covalent,SING,C6,C7,,,,,35264,bmst000166,1
11,covalent,SING,C6,H17,,,,,35264,bmst000166,1
12,covalent,SING,C6,H18,,,,,35264,bmst000166,1
13,covalent,DOUB,C7,O8,,,,,35264,bmst000166,1
14,covalent,SING,C7,O9,,,,,35264,bmst000166,1
15,covalent,SING,O9,H19,,,,,35264,bmst000166,1
16,covalent,SING,C10,C11,,,,,35264,bmst000166,1
17,covalent,SING,C10,H20,,,,,35264,bmst000166,1
18,covalent,SING,C10,H21,,,,,35264,bmst000166,1
19,covalent,DOUB,C11,O12,,,,,35264,bmst000166,1
20,covalent,SING,C11,N13,,,,,35264,bmst000166,1
21,covalent,SING,N13,H22,,,,,35264,bmst000166,1
22,covalent,SING,N13,H23,,,,,35264,bmst000166,1
1,covalent,SING,P1,O2,,,,,35274,bmst000167,1
2,covalent,DOUB,P1,O3,,,,,35274,bmst000167,1
3,covalent,SING,P1,O5,,,,,35274,bmst000167,1
4,covalent,SING,P1,O6,,,,,35274,bmst000167,1
5,covalent,SING,O2,C4,,,,,35274,bmst000167,1
6,covalent,SING,C4,C7,,,,,35274,bmst000167,1
7,covalent,SING,C4,H11,,,,,35274,bmst000167,1
8,covalent,SING,C4,H12,,,,,35274,bmst000167,1
9,covalent,SING,O5,H13,,,,,35274,bmst000167,1
10,covalent,SING,O6,H14,,,,,35274,bmst000167,1
11,covalent,SING,C7,O8,,,,,35274,bmst000167,1
12,covalent,SING,C7,C10,,,,,35274,bmst000167,1
13,covalent,SING,C7,H15,,,,,35274,bmst000167,1
14,covalent,SING,O8,H16,,,,,35274,bmst000167,1
15,covalent,SING,O9,C10,,,,,35274,bmst000167,1
16,covalent,SING,O9,H17,,,,,35274,bmst000167,1
17,covalent,SING,C10,H18,,,,,35274,bmst000167,1
18,covalent,SING,C10,H19,,,,,35274,bmst000167,1
1,covalent,SING,C6,C1,,,,,35284,bmst000168,1
2,covalent,SING,C1,O7,,,,,35284,bmst000168,1
3,covalent,DOUB,C1,O9,,,,,35284,bmst000168,1
4,covalent,SING,C2,C3,,,,,35284,bmst000168,1
5,covalent,SING,C2,N8,,,,,35284,bmst000168,1
6,covalent,SING,C2,H10,,,,,35284,bmst000168,1
7,covalent,SING,C2,H11,,,,,35284,bmst000168,1
8,covalent,SING,C3,C4,,,,,35284,bmst000168,1
9,covalent,SING,C3,H12,,,,,35284,bmst000168,1
10,covalent,SING,C3,H13,,,,,35284,bmst000168,1
11,covalent,SING,C4,C5,,,,,35284,bmst000168,1
12,covalent,SING,C4,H14,,,,,35284,bmst000168,1
13,covalent,SING,C4,H15,,,,,35284,bmst000168,1
14,covalent,SING,C5,C6,,,,,35284,bmst000168,1
15,covalent,SING,C5,H16,,,,,35284,bmst000168,1
16,covalent,SING,C5,H17,,,,,35284,bmst000168,1
17,covalent,SING,C6,N8,,,,,35284,bmst000168,1
18,covalent,SING,C6,H18,,,,,35284,bmst000168,1
19,covalent,SING,O7,H19,,,,,35284,bmst000168,1
20,covalent,SING,N8,H20,,,,,35284,bmst000168,1
1,covalent,SING,C1,C2,,,,,35294,bmst000169,1
2,covalent,SING,C1,C3,,,,,35294,bmst000169,1
3,covalent,SING,C1,N4,,,,,35294,bmst000169,1
4,covalent,SING,C1,H8,,,,,35294,bmst000169,1
5,covalent,SING,C2,O5,,,,,35294,bmst000169,1
6,covalent,DOUB,C2,O6,,,,,35294,bmst000169,1
7,covalent,SING,C3,O7,,,,,35294,bmst000169,1
8,covalent,SING,C3,H9,,,,,35294,bmst000169,1
9,covalent,SING,C3,H10,,,,,35294,bmst000169,1
10,covalent,SING,N4,H11,,,,,35294,bmst000169,1
11,covalent,SING,N4,H12,,,,,35294,bmst000169,1
12,covalent,SING,O5,H13,,,,,35294,bmst000169,1
13,covalent,SING,O7,H14,,,,,35294,bmst000169,1
1,covalent,DOUB,O1,C2,,,,,35304,bmst000170,1
2,covalent,SING,C2,O3,,,,,35304,bmst000170,1
3,covalent,SING,C2,C4,,,,,35304,bmst000170,1
4,covalent,SING,O3,H12,,,,,35304,bmst000170,1
5,covalent,SING,C4,O5,,,,,35304,bmst000170,1
6,covalent,SING,C4,C6,,,,,35304,bmst000170,1
7,covalent,SING,C4,H13,,,,,35304,bmst000170,1
8,covalent,SING,O5,H14,,,,,35304,bmst000170,1
9,covalent,SING,C6,O7,,,,,35304,bmst000170,1
10,covalent,SING,C6,H15,,,,,35304,bmst000170,1
11,covalent,SING,C6,H16,,,,,35304,bmst000170,1
12,covalent,SING,O7,P8,,,,,35304,bmst000170,1
13,covalent,DOUB,P8,O9,,,,,35304,bmst000170,1
14,covalent,SING,P8,O10,,,,,35304,bmst000170,1
15,covalent,SING,P8,O11,,,,,35304,bmst000170,1
16,covalent,SING,O10,H17,,,,,35304,bmst000170,1
17,covalent,SING,O11,H18,,,,,35304,bmst000170,1
1,covalent,DOUB,O1,C2,,,,,35314,bmst000171,1
2,covalent,SING,C2,C3,,,,,35314,bmst000171,1
3,covalent,SING,C2,H7,,,,,35314,bmst000171,1
4,covalent,SING,C3,O4,,,,,35314,bmst000171,1
5,covalent,SING,C3,C6,,,,,35314,bmst000171,1
6,covalent,SING,C3,H8,,,,,35314,bmst000171,1
7,covalent,SING,O4,H9,,,,,35314,bmst000171,1
8,covalent,SING,O5,C6,,,,,35314,bmst000171,1
9,covalent,SING,O5,H10,,,,,35314,bmst000171,1
10,covalent,SING,C6,H11,,,,,35314,bmst000171,1
11,covalent,SING,C6,H12,,,,,35314,bmst000171,1
1,covalent,SING,C2,N1,,,,,35324,bmst000172,1
2,covalent,SING,N1,H7,,,,,35324,bmst000172,1
3,covalent,SING,N1,H8,,,,,35324,bmst000172,1
4,covalent,SING,C2,C3,,,,,35324,bmst000172,1
5,covalent,SING,C2,C4,,,,,35324,bmst000172,1
6,covalent,SING,C2,H9,,,,,35324,bmst000172,1
7,covalent,SING,C3,H10,,,,,35324,bmst000172,1
8,covalent,SING,C3,H11,,,,,35324,bmst000172,1
9,covalent,SING,C3,H12,,,,,35324,bmst000172,1
10,covalent,DOUB,C4,O5,,,,,35324,bmst000172,1
11,covalent,SING,C4,O6,,,,,35324,bmst000172,1
12,covalent,SING,O6,H13,,,,,35324,bmst000172,1
1,covalent,SING,C1,N2,,,,,35334,bmst000173,1
2,covalent,SING,C1,H12,,,,,35334,bmst000173,1
3,covalent,SING,C1,H13,,,,,35334,bmst000173,1
4,covalent,SING,C1,H14,,,,,35334,bmst000173,1
5,covalent,SING,N2,C3,,,,,35334,bmst000173,1
6,covalent,SING,N2,C4,,,,,35334,bmst000173,1
7,covalent,SING,N2,C5,,,,,35334,bmst000173,1
8,covalent,SING,C3,H15,,,,,35334,bmst000173,1
9,covalent,SING,C3,H16,,,,,35334,bmst000173,1
10,covalent,SING,C3,H17,,,,,35334,bmst000173,1
11,covalent,SING,C4,H18,,,,,35334,bmst000173,1
12,covalent,SING,C4,H19,,,,,35334,bmst000173,1
13,covalent,SING,C4,H20,,,,,35334,bmst000173,1
14,covalent,SING,C5,C6,,,,,35334,bmst000173,1
15,covalent,SING,C5,H21,,,,,35334,bmst000173,1
16,covalent,SING,C5,H22,,,,,35334,bmst000173,1
17,covalent,SING,C6,O7,,,,,35334,bmst000173,1
18,covalent,SING,C6,C8,,,,,35334,bmst000173,1
19,covalent,SING,C6,H23,,,,,35334,bmst000173,1
20,covalent,SING,O7,H24,,,,,35334,bmst000173,1
21,covalent,SING,C8,C9,,,,,35334,bmst000173,1
22,covalent,SING,C8,H25,,,,,35334,bmst000173,1
23,covalent,SING,C8,H26,,,,,35334,bmst000173,1
24,covalent,SING,C9,O10,,,,,35334,bmst000173,1
25,covalent,DOUB,C9,O11,,,,,35334,bmst000173,1
26,covalent,SING,O10,H27,,,,,35334,bmst000173,1
1,covalent,SING,C1,C2,,,,,35344,bmst000174,1
2,covalent,SING,C1,O3,,,,,35344,bmst000174,1
3,covalent,SING,C1,C4,,,,,35344,bmst000174,1
4,covalent,SING,C1,H24,,,,,35344,bmst000174,1
5,covalent,SING,C2,O5,,,,,35344,bmst000174,1
6,covalent,SING,C2,C6,,,,,35344,bmst000174,1
7,covalent,SING,C2,H25,,,,,35344,bmst000174,1
8,covalent,SING,O3,C7,,,,,35344,bmst000174,1
9,covalent,SING,C4,C8,,,,,35344,bmst000174,1
10,covalent,SING,C4,O9,,,,,35344,bmst000174,1
11,covalent,SING,C4,H26,,,,,35344,bmst000174,1
12,covalent,SING,O5,C10,,,,,35344,bmst000174,1
13,covalent,SING,C6,O11,,,,,35344,bmst000174,1
14,covalent,SING,C6,H27,,,,,35344,bmst000174,1
15,covalent,SING,C6,H28,,,,,35344,bmst000174,1
16,covalent,SING,C7,O12,,,,,35344,bmst000174,1
17,covalent,SING,C7,C13,,,,,35344,bmst000174,1
18,covalent,SING,C7,H29,,,,,35344,bmst000174,1
19,covalent,SING,C8,C10,,,,,35344,bmst000174,1
20,covalent,SING,C8,O14,,,,,35344,bmst000174,1
21,covalent,SING,C8,H30,,,,,35344,bmst000174,1
22,covalent,SING,O9,H31,,,,,35344,bmst000174,1
23,covalent,SING,C10,O15,,,,,35344,bmst000174,1
24,covalent,SING,C10,H32,,,,,35344,bmst000174,1
25,covalent,SING,O11,H33,,,,,35344,bmst000174,1
26,covalent,SING,O12,C16,,,,,35344,bmst000174,1
27,covalent,SING,C13,C17,,,,,35344,bmst000174,1
28,covalent,SING,C13,O18,,,,,35344,bmst000174,1
29,covalent,SING,C13,H34,,,,,35344,bmst000174,1
30,covalent,SING,O14,H35,,,,,35344,bmst000174,1
31,covalent,SING,O15,H36,,,,,35344,bmst000174,1
32,covalent,SING,C16,C19,,,,,35344,bmst000174,1
33,covalent,SING,C16,C20,,,,,35344,bmst000174,1
34,covalent,SING,C16,H37,,,,,35344,bmst000174,1
35,covalent,SING,C17,C19,,,,,35344,bmst000174,1
36,covalent,SING,C17,O21,,,,,35344,bmst000174,1
37,covalent,SING,C17,H38,,,,,35344,bmst000174,1
38,covalent,SING,O18,H39,,,,,35344,bmst000174,1
39,covalent,SING,C19,O22,,,,,35344,bmst000174,1
40,covalent,SING,C19,H40,,,,,35344,bmst000174,1
41,covalent,SING,C20,O23,,,,,35344,bmst000174,1
42,covalent,SING,C20,H41,,,,,35344,bmst000174,1
43,covalent,SING,C20,H42,,,,,35344,bmst000174,1
44,covalent,SING,O21,H43,,,,,35344,bmst000174,1
45,covalent,SING,O22,H44,,,,,35344,bmst000174,1
46,covalent,SING,O23,H45,,,,,35344,bmst000174,1
1,covalent,DOUB,C1,O3,,,,,35354,bmst000175,1
2,covalent,SING,C1,N5,,,,,35354,bmst000175,1
3,covalent,SING,C1,N7,,,,,35354,bmst000175,1
4,covalent,DOUB,C2,O4,,,,,35354,bmst000175,1
5,covalent,SING,C2,C6,,,,,35354,bmst000175,1
6,covalent,SING,C2,O8,,,,,35354,bmst000175,1
7,covalent,SING,N5,C10,,,,,35354,bmst000175,1
8,covalent,SING,N5,H13,,,,,35354,bmst000175,1
9,covalent,SING,C6,N9,,,,,35354,bmst000175,1
10,covalent,SING,C6,C11,,,,,35354,bmst000175,1
11,covalent,SING,C6,H14,,,,,35354,bmst000175,1
12,covalent,SING,N7,H15,,,,,35354,bmst000175,1
13,covalent,SING,N7,H16,,,,,35354,bmst000175,1
14,covalent,SING,O8,H17,,,,,35354,bmst000175,1
15,covalent,SING,N9,H18,,,,,35354,bmst000175,1
16,covalent,SING,N9,H19,,,,,35354,bmst000175,1
17,covalent,SING,C10,C12,,,,,35354,bmst000175,1
18,covalent,SING,C10,H20,,,,,35354,bmst000175,1
19,covalent,SING,C10,H21,,,,,35354,bmst000175,1
20,covalent,SING,C11,C12,,,,,35354,bmst000175,1
21,covalent,SING,C11,H22,,,,,35354,bmst000175,1
22,covalent,SING,C11,H23,,,,,35354,bmst000175,1
23,covalent,SING,C12,H24,,,,,35354,bmst000175,1
24,covalent,SING,C12,H25,,,,,35354,bmst000175,1
1,covalent,SING,C1,C2,,,,,35364,bmst000177,1
2,covalent,SING,C1,O3,,,,,35364,bmst000177,1
3,covalent,SING,C1,C4,,,,,35364,bmst000177,1
4,covalent,SING,C1,H14,,,,,35364,bmst000177,1
5,covalent,SING,C2,C5,,,,,35364,bmst000177,1
6,covalent,SING,C2,O6,,,,,35364,bmst000177,1
7,covalent,SING,C2,H15,,,,,35364,bmst000177,1
8,covalent,SING,O3,C7,,,,,35364,bmst000177,1
9,covalent,SING,C4,O8,,,,,35364,bmst000177,1
10,covalent,DOUB,C4,O9,,,,,35364,bmst000177,1
11,covalent,SING,C5,C10,,,,,35364,bmst000177,1
12,covalent,SING,C5,O11,,,,,35364,bmst000177,1
13,covalent,SING,C5,H16,,,,,35364,bmst000177,1
14,covalent,SING,O6,H17,,,,,35364,bmst000177,1
15,covalent,SING,C7,C10,,,,,35364,bmst000177,1
16,covalent,SING,C7,O12,,,,,35364,bmst000177,1
17,covalent,SING,C7,H18,,,,,35364,bmst000177,1
18,covalent,SING,O8,H19,,,,,35364,bmst000177,1
19,covalent,SING,C10,O13,,,,,35364,bmst000177,1
20,covalent,SING,C10,H20,,,,,35364,bmst000177,1
21,covalent,SING,O11,H21,,,,,35364,bmst000177,1
22,covalent,SING,O12,H22,,,,,35364,bmst000177,1
23,covalent,SING,O13,H23,,,,,35364,bmst000177,1
1,covalent,SING,C1,C2,,,,,35374,bmst000178,1
2,covalent,SING,C1,O7,,,,,35374,bmst000178,1
3,covalent,SING,C1,O11,,,,,35374,bmst000178,1
4,covalent,SING,C1,H17,,,,,35374,bmst000178,1
5,covalent,SING,C2,C3,,,,,35374,bmst000178,1
6,covalent,SING,C2,N8,,,,,35374,bmst000178,1
7,covalent,SING,C2,H18,,,,,35374,bmst000178,1
8,covalent,SING,C3,C4,,,,,35374,bmst000178,1
9,covalent,SING,C3,O9,,,,,35374,bmst000178,1
10,covalent,SING,C3,H19,,,,,35374,bmst000178,1
11,covalent,SING,C4,C5,,,,,35374,bmst000178,1
12,covalent,SING,C4,O10,,,,,35374,bmst000178,1
13,covalent,SING,C4,H20,,,,,35374,bmst000178,1
14,covalent,SING,C5,C6,,,,,35374,bmst000178,1
15,covalent,SING,C5,O11,,,,,35374,bmst000178,1
16,covalent,SING,C5,H21,,,,,35374,bmst000178,1
17,covalent,SING,C6,O12,,,,,35374,bmst000178,1
18,covalent,SING,C6,H22,,,,,35374,bmst000178,1
19,covalent,SING,C6,H23,,,,,35374,bmst000178,1
20,covalent,SING,O7,H24,,,,,35374,bmst000178,1
21,covalent,SING,N8,H25,,,,,35374,bmst000178,1
22,covalent,SING,N8,H26,,,,,35374,bmst000178,1
23,covalent,SING,O9,H27,,,,,35374,bmst000178,1
24,covalent,SING,O10,H28,,,,,35374,bmst000178,1
25,covalent,SING,O12,P13,,,,,35374,bmst000178,1
26,covalent,DOUB,P13,O14,,,,,35374,bmst000178,1
27,covalent,SING,P13,O15,,,,,35374,bmst000178,1
28,covalent,SING,P13,O16,,,,,35374,bmst000178,1
29,covalent,SING,O15,H29,,,,,35374,bmst000178,1
30,covalent,SING,O16,H30,,,,,35374,bmst000178,1
1,covalent,SING,P1,O2,,,,,35384,bmst000180,1
2,covalent,SING,P1,O3,,,,,35384,bmst000180,1
3,covalent,SING,P1,O4,,,,,35384,bmst000180,1
4,covalent,DOUB,P1,O5,,,,,35384,bmst000180,1
5,covalent,SING,O2,C6,,,,,35384,bmst000180,1
6,covalent,SING,O3,H15,,,,,35384,bmst000180,1
7,covalent,SING,O4,H16,,,,,35384,bmst000180,1
8,covalent,SING,C7,C6,,,,,35384,bmst000180,1
9,covalent,SING,C6,H17,,,,,35384,bmst000180,1
10,covalent,SING,C6,H18,,,,,35384,bmst000180,1
11,covalent,SING,C7,C8,,,,,35384,bmst000180,1
12,covalent,SING,C7,O9,,,,,35384,bmst000180,1
13,covalent,SING,C7,H19,,,,,35384,bmst000180,1
14,covalent,SING,C8,C10,,,,,35384,bmst000180,1
15,covalent,SING,C8,O11,,,,,35384,bmst000180,1
16,covalent,SING,C8,H20,,,,,35384,bmst000180,1
17,covalent,SING,O9,C12,,,,,35384,bmst000180,1
18,covalent,SING,C10,C12,,,,,35384,bmst000180,1
19,covalent,SING,C10,O13,,,,,35384,bmst000180,1
20,covalent,SING,C10,H21,,,,,35384,bmst000180,1
21,covalent,SING,O11,H22,,,,,35384,bmst000180,1
22,covalent,SING,C12,O14,,,,,35384,bmst000180,1
23,covalent,SING,C12,H23,,,,,35384,bmst000180,1
24,covalent,SING,O13,H24,,,,,35384,bmst000180,1
25,covalent,SING,O14,H25,,,,,35384,bmst000180,1
1,covalent,DOUB,O1,C3,,,,,35394,bmst000182,1
2,covalent,SING,O2,C3,,,,,35394,bmst000182,1
3,covalent,SING,O2,H15,,,,,35394,bmst000182,1
4,covalent,SING,C3,C4,,,,,35394,bmst000182,1
5,covalent,SING,C4,O5,,,,,35394,bmst000182,1
6,covalent,SING,C4,C6,,,,,35394,bmst000182,1
7,covalent,SING,C4,H16,,,,,35394,bmst000182,1
8,covalent,SING,O5,H17,,,,,35394,bmst000182,1
9,covalent,SING,C6,O7,,,,,35394,bmst000182,1
10,covalent,SING,C6,C8,,,,,35394,bmst000182,1
11,covalent,SING,C6,H18,,,,,35394,bmst000182,1
12,covalent,SING,O7,H19,,,,,35394,bmst000182,1
13,covalent,SING,C8,O9,,,,,35394,bmst000182,1
14,covalent,SING,C8,C11,,,,,35394,bmst000182,1
15,covalent,SING,C8,H20,,,,,35394,bmst000182,1
16,covalent,SING,O9,H21,,,,,35394,bmst000182,1
17,covalent,SING,C11,O10,,,,,35394,bmst000182,1
18,covalent,SING,O10,H22,,,,,35394,bmst000182,1
19,covalent,SING,C11,C12,,,,,35394,bmst000182,1
20,covalent,SING,C11,H23,,,,,35394,bmst000182,1
21,covalent,DOUB,C12,O13,,,,,35394,bmst000182,1
22,covalent,SING,C12,O14,,,,,35394,bmst000182,1
23,covalent,SING,O14,H24,,,,,35394,bmst000182,1
1,covalent,SING,C1,C2,,,,,35404,bmst000183,1
2,covalent,SING,C1,C3,,,,,35404,bmst000183,1
3,covalent,SING,C1,O4,,,,,35404,bmst000183,1
4,covalent,SING,C1,H12,,,,,35404,bmst000183,1
5,covalent,SING,C2,C5,,,,,35404,bmst000183,1
6,covalent,SING,C2,O6,,,,,35404,bmst000183,1
7,covalent,SING,C2,H13,,,,,35404,bmst000183,1
8,covalent,SING,C3,C7,,,,,35404,bmst000183,1
9,covalent,SING,C3,O8,,,,,35404,bmst000183,1
10,covalent,SING,C3,H14,,,,,35404,bmst000183,1
11,covalent,SING,O4,H15,,,,,35404,bmst000183,1
12,covalent,SING,C5,O9,,,,,35404,bmst000183,1
13,covalent,DOUB,C5,O10,,,,,35404,bmst000183,1
14,covalent,SING,O6,H16,,,,,35404,bmst000183,1
15,covalent,SING,C7,O11,,,,,35404,bmst000183,1
16,covalent,SING,C7,H17,,,,,35404,bmst000183,1
17,covalent,SING,C7,H18,,,,,35404,bmst000183,1
18,covalent,SING,O8,H19,,,,,35404,bmst000183,1
19,covalent,SING,O9,H20,,,,,35404,bmst000183,1
20,covalent,SING,O11,H21,,,,,35404,bmst000183,1
1,covalent,SING,S1,C2,,,,,35414,bmst000184,1
2,covalent,DOUB,S1,O3,,,,,35414,bmst000184,1
3,covalent,DOUB,S1,O4,,,,,35414,bmst000184,1
4,covalent,SING,S1,O5,,,,,35414,bmst000184,1
5,covalent,SING,C2,C6,,,,,35414,bmst000184,1
6,covalent,SING,C2,H16,,,,,35414,bmst000184,1
7,covalent,SING,C2,H17,,,,,35414,bmst000184,1
8,covalent,SING,C6,N7,,,,,35414,bmst000184,1
9,covalent,SING,C6,H18,,,,,35414,bmst000184,1
10,covalent,SING,C6,H19,,,,,35414,bmst000184,1
11,covalent,SING,N7,C8,,,,,35414,bmst000184,1
12,covalent,SING,N7,C9,,,,,35414,bmst000184,1
13,covalent,SING,C8,C10,,,,,35414,bmst000184,1
14,covalent,SING,C8,H20,,,,,35414,bmst000184,1
15,covalent,SING,C8,H21,,,,,35414,bmst000184,1
16,covalent,SING,C9,C11,,,,,35414,bmst000184,1
17,covalent,SING,C9,H22,,,,,35414,bmst000184,1
18,covalent,SING,C9,H23,,,,,35414,bmst000184,1
19,covalent,SING,C10,N12,,,,,35414,bmst000184,1
20,covalent,SING,C10,H24,,,,,35414,bmst000184,1
21,covalent,SING,C10,H25,,,,,35414,bmst000184,1
22,covalent,SING,C11,N12,,,,,35414,bmst000184,1
23,covalent,SING,C11,H26,,,,,35414,bmst000184,1
24,covalent,SING,C11,H27,,,,,35414,bmst000184,1
25,covalent,SING,N12,C13,,,,,35414,bmst000184,1
26,covalent,SING,N12,H28,,,,,35414,bmst000184,1
27,covalent,SING,C13,C14,,,,,35414,bmst000184,1
28,covalent,SING,C13,H29,,,,,35414,bmst000184,1
29,covalent,SING,C13,H30,,,,,35414,bmst000184,1
30,covalent,SING,C14,O15,,,,,35414,bmst000184,1
31,covalent,SING,C14,H31,,,,,35414,bmst000184,1
32,covalent,SING,C14,H32,,,,,35414,bmst000184,1
33,covalent,SING,O15,H33,,,,,35414,bmst000184,1
1,covalent,DOUB,C1,C2,,,,,35424,bmst000185,1
2,covalent,SING,C1,O7,,,,,35424,bmst000185,1
3,covalent,SING,C1,O10,,,,,35424,bmst000185,1
4,covalent,SING,C2,C3,,,,,35424,bmst000185,1
5,covalent,SING,C2,O8,,,,,35424,bmst000185,1
6,covalent,SING,C3,C4,,,,,35424,bmst000185,1
7,covalent,DOUB,C3,O9,,,,,35424,bmst000185,1
8,covalent,SING,C4,C5,,,,,35424,bmst000185,1
9,covalent,SING,C4,O10,,,,,35424,bmst000185,1
10,covalent,SING,C4,H13,,,,,35424,bmst000185,1
11,covalent,SING,C5,C6,,,,,35424,bmst000185,1
12,covalent,SING,C5,O11,,,,,35424,bmst000185,1
13,covalent,SING,C5,H14,,,,,35424,bmst000185,1
14,covalent,SING,C6,O12,,,,,35424,bmst000185,1
15,covalent,SING,C6,H15,,,,,35424,bmst000185,1
16,covalent,SING,C6,H16,,,,,35424,bmst000185,1
17,covalent,SING,O7,H17,,,,,35424,bmst000185,1
18,covalent,SING,O8,H18,,,,,35424,bmst000185,1
19,covalent,SING,O11,H19,,,,,35424,bmst000185,1
20,covalent,SING,O12,H20,,,,,35424,bmst000185,1
1,covalent,SING,C1,C2,,,,,35434,bmst000186,1
2,covalent,SING,C1,C3,,,,,35434,bmst000186,1
3,covalent,SING,C1,H23,,,,,35434,bmst000186,1
4,covalent,SING,C1,H24,,,,,35434,bmst000186,1
5,covalent,SING,C2,C4,,,,,35434,bmst000186,1
6,covalent,SING,C2,H25,,,,,35434,bmst000186,1
7,covalent,SING,C2,H26,,,,,35434,bmst000186,1
8,covalent,SING,C3,N5,,,,,35434,bmst000186,1
9,covalent,SING,C3,H27,,,,,35434,bmst000186,1
10,covalent,SING,C3,H28,,,,,35434,bmst000186,1
11,covalent,SING,C4,C6,,,,,35434,bmst000186,1
12,covalent,SING,C4,N7,,,,,35434,bmst000186,1
13,covalent,SING,C4,H29,,,,,35434,bmst000186,1
14,covalent,DOUB,N5,C8,,,,,35434,bmst000186,1
15,covalent,DOUB,C6,O9,,,,,35434,bmst000186,1
16,covalent,SING,C6,O10,,,,,35434,bmst000186,1
17,covalent,SING,N7,H30,,,,,35434,bmst000186,1
18,covalent,SING,N7,H31,,,,,35434,bmst000186,1
19,covalent,SING,C8,N11,,,,,35434,bmst000186,1
20,covalent,SING,C8,N12,,,,,35434,bmst000186,1
21,covalent,SING,O10,H32,,,,,35434,bmst000186,1
22,covalent,SING,N11,H33,,,,,35434,bmst000186,1
23,covalent,SING,N11,H34,,,,,35434,bmst000186,1
24,covalent,SING,N12,H35,,,,,35434,bmst000186,1
25,covalent,SING,N12,H36,,,,,35434,bmst000186,1
26,covalent,SING,C13,C14,,,,,35434,bmst000186,1
27,covalent,SING,C13,C15,,,,,35434,bmst000186,1
28,covalent,SING,C13,H37,,,,,35434,bmst000186,1
29,covalent,SING,C13,H38,,,,,35434,bmst000186,1
30,covalent,SING,C14,C16,,,,,35434,bmst000186,1
31,covalent,SING,C14,N17,,,,,35434,bmst000186,1
32,covalent,SING,C14,H39,,,,,35434,bmst000186,1
33,covalent,SING,C15,C18,,,,,35434,bmst000186,1
34,covalent,SING,C15,H40,,,,,35434,bmst000186,1
35,covalent,SING,C15,H41,,,,,35434,bmst000186,1
36,covalent,DOUB,C16,O19,,,,,35434,bmst000186,1
37,covalent,SING,C16,O20,,,,,35434,bmst000186,1
38,covalent,SING,N17,H42,,,,,35434,bmst000186,1
39,covalent,SING,N17,H43,,,,,35434,bmst000186,1
40,covalent,DOUB,C18,O21,,,,,35434,bmst000186,1
41,covalent,SING,C18,O22,,,,,35434,bmst000186,1
42,covalent,SING,O20,H44,,,,,35434,bmst000186,1
43,covalent,SING,O22,H45,,,,,35434,bmst000186,1
1,covalent,DOUB,C1,C6,,,,,35444,bmst000187,1
2,covalent,SING,C1,N12,,,,,35444,bmst000187,1
3,covalent,SING,C1,H17,,,,,35444,bmst000187,1
4,covalent,SING,C2,N11,,,,,35444,bmst000187,1
5,covalent,DOUB,C2,N12,,,,,35444,bmst000187,1
6,covalent,SING,C2,H18,,,,,35444,bmst000187,1
7,covalent,SING,C3,C4,,,,,35444,bmst000187,1
8,covalent,SING,C3,C8,,,,,35444,bmst000187,1
9,covalent,SING,C3,H19,,,,,35444,bmst000187,1
10,covalent,SING,C3,H20,,,,,35444,bmst000187,1
11,covalent,SING,C4,N10,,,,,35444,bmst000187,1
12,covalent,SING,C4,H21,,,,,35444,bmst000187,1
13,covalent,SING,C4,H22,,,,,35444,bmst000187,1
14,covalent,SING,C5,C6,,,,,35444,bmst000187,1
15,covalent,SING,C5,C7,,,,,35444,bmst000187,1
16,covalent,SING,C5,H23,,,,,35444,bmst000187,1
17,covalent,SING,C5,H24,,,,,35444,bmst000187,1
18,covalent,SING,C6,N11,,,,,35444,bmst000187,1
19,covalent,SING,C7,C9,,,,,35444,bmst000187,1
20,covalent,SING,C7,N13,,,,,35444,bmst000187,1
21,covalent,SING,C7,H25,,,,,35444,bmst000187,1
22,covalent,SING,C8,N13,,,,,35444,bmst000187,1
23,covalent,DOUB,C8,O15,,,,,35444,bmst000187,1
24,covalent,SING,C9,O14,,,,,35444,bmst000187,1
25,covalent,DOUB,C9,O16,,,,,35444,bmst000187,1
26,covalent,SING,N10,H26,,,,,35444,bmst000187,1
27,covalent,SING,N10,H27,,,,,35444,bmst000187,1
28,covalent,SING,N11,H28,,,,,35444,bmst000187,1
29,covalent,SING,N13,H29,,,,,35444,bmst000187,1
30,covalent,SING,O14,H30,,,,,35444,bmst000187,1
1,covalent,SING,C2,N1,,,,,35454,bmst000188,1
2,covalent,SING,N1,H41,,,,,35454,bmst000188,1
3,covalent,SING,N1,H42,,,,,35454,bmst000188,1
4,covalent,SING,C2,C3,,,,,35454,bmst000188,1
5,covalent,SING,C2,C6,,,,,35454,bmst000188,1
6,covalent,SING,C2,H43,,,,,35454,bmst000188,1
7,covalent,DOUB,C3,O4,,,,,35454,bmst000188,1
8,covalent,SING,C3,O5,,,,,35454,bmst000188,1
9,covalent,SING,O5,H44,,,,,35454,bmst000188,1
10,covalent,SING,C6,C7,,,,,35454,bmst000188,1
11,covalent,SING,C6,H45,,,,,35454,bmst000188,1
12,covalent,SING,C6,H46,,,,,35454,bmst000188,1
13,covalent,SING,C7,C8,,,,,35454,bmst000188,1
14,covalent,SING,C7,H47,,,,,35454,bmst000188,1
15,covalent,SING,C7,H48,,,,,35454,bmst000188,1
16,covalent,DOUB,C8,O9,,,,,35454,bmst000188,1
17,covalent,SING,C8,N10,,,,,35454,bmst000188,1
18,covalent,SING,C11,N10,,,,,35454,bmst000188,1
19,covalent,SING,N10,H49,,,,,35454,bmst000188,1
20,covalent,SING,C11,C12,,,,,35454,bmst000188,1
21,covalent,SING,C11,C14,,,,,35454,bmst000188,1
22,covalent,SING,C11,H50,,,,,35454,bmst000188,1
23,covalent,DOUB,C12,O13,,,,,35454,bmst000188,1
24,covalent,SING,C12,N16,,,,,35454,bmst000188,1
25,covalent,SING,C14,S15,,,,,35454,bmst000188,1
26,covalent,SING,C14,H51,,,,,35454,bmst000188,1
27,covalent,SING,C14,H52,,,,,35454,bmst000188,1
28,covalent,SING,S15,S31,,,,,35454,bmst000188,1
29,covalent,SING,N16,C17,,,,,35454,bmst000188,1
30,covalent,SING,N16,H53,,,,,35454,bmst000188,1
31,covalent,SING,C17,C18,,,,,35454,bmst000188,1
32,covalent,SING,C17,H54,,,,,35454,bmst000188,1
33,covalent,SING,C17,H55,,,,,35454,bmst000188,1
34,covalent,DOUB,C18,O19,,,,,35454,bmst000188,1
35,covalent,SING,C18,O20,,,,,35454,bmst000188,1
36,covalent,SING,O20,H56,,,,,35454,bmst000188,1
37,covalent,SING,N21,C22,,,,,35454,bmst000188,1
38,covalent,SING,N21,C26,,,,,35454,bmst000188,1
39,covalent,SING,N21,H57,,,,,35454,bmst000188,1
40,covalent,SING,C22,C23,,,,,35454,bmst000188,1
41,covalent,SING,C22,H58,,,,,35454,bmst000188,1
42,covalent,SING,C22,H59,,,,,35454,bmst000188,1
43,covalent,DOUB,C23,O24,,,,,35454,bmst000188,1
44,covalent,SING,C23,O25,,,,,35454,bmst000188,1
45,covalent,SING,O25,H60,,,,,35454,bmst000188,1
46,covalent,DOUB,C26,O27,,,,,35454,bmst000188,1
47,covalent,SING,C26,C28,,,,,35454,bmst000188,1
48,covalent,SING,C28,N29,,,,,35454,bmst000188,1
49,covalent,SING,C28,C30,,,,,35454,bmst000188,1
50,covalent,SING,C28,H61,,,,,35454,bmst000188,1
51,covalent,SING,N29,C39,,,,,35454,bmst000188,1
52,covalent,SING,N29,H62,,,,,35454,bmst000188,1
53,covalent,SING,C30,S31,,,,,35454,bmst000188,1
54,covalent,SING,C30,H63,,,,,35454,bmst000188,1
55,covalent,SING,C30,H64,,,,,35454,bmst000188,1
56,covalent,SING,C32,C33,,,,,35454,bmst000188,1
57,covalent,SING,C32,N36,,,,,35454,bmst000188,1
58,covalent,SING,C32,C37,,,,,35454,bmst000188,1
59,covalent,SING,C32,H65,,,,,35454,bmst000188,1
60,covalent,DOUB,C33,O34,,,,,35454,bmst000188,1
61,covalent,SING,C33,O35,,,,,35454,bmst000188,1
62,covalent,SING,O35,H66,,,,,35454,bmst000188,1
63,covalent,SING,N36,H67,,,,,35454,bmst000188,1
64,covalent,SING,N36,H68,,,,,35454,bmst000188,1
65,covalent,SING,C37,C38,,,,,35454,bmst000188,1
66,covalent,SING,C37,H69,,,,,35454,bmst000188,1
67,covalent,SING,C37,H70,,,,,35454,bmst000188,1
68,covalent,SING,C38,C39,,,,,35454,bmst000188,1
69,covalent,SING,C38,H71,,,,,35454,bmst000188,1
70,covalent,SING,C38,H72,,,,,35454,bmst000188,1
71,covalent,DOUB,C39,O40,,,,,35454,bmst000188,1
1,covalent,SING,C2,N1,,,,,35464,bmst000189,1
2,covalent,SING,N1,H21,,,,,35464,bmst000189,1
3,covalent,SING,N1,H22,,,,,35464,bmst000189,1
4,covalent,SING,C2,C3,,,,,35464,bmst000189,1
5,covalent,SING,C2,C6,,,,,35464,bmst000189,1
6,covalent,SING,C2,H23,,,,,35464,bmst000189,1
7,covalent,DOUB,C3,O4,,,,,35464,bmst000189,1
8,covalent,SING,C3,O5,,,,,35464,bmst000189,1
9,covalent,SING,O5,H24,,,,,35464,bmst000189,1
10,covalent,SING,C6,C7,,,,,35464,bmst000189,1
11,covalent,SING,C6,H25,,,,,35464,bmst000189,1
12,covalent,SING,C6,H26,,,,,35464,bmst000189,1
13,covalent,SING,C7,C8,,,,,35464,bmst000189,1
14,covalent,SING,C7,H27,,,,,35464,bmst000189,1
15,covalent,SING,C7,H28,,,,,35464,bmst000189,1
16,covalent,DOUB,C8,O9,,,,,35464,bmst000189,1
17,covalent,SING,C8,N10,,,,,35464,bmst000189,1
18,covalent,SING,C11,N10,,,,,35464,bmst000189,1
19,covalent,SING,N10,H29,,,,,35464,bmst000189,1
20,covalent,SING,C11,C12,,,,,35464,bmst000189,1
21,covalent,SING,C11,C14,,,,,35464,bmst000189,1
22,covalent,SING,C11,H30,,,,,35464,bmst000189,1
23,covalent,DOUB,C12,O13,,,,,35464,bmst000189,1
24,covalent,SING,C12,N16,,,,,35464,bmst000189,1
25,covalent,SING,C14,S15,,,,,35464,bmst000189,1
26,covalent,SING,C14,H31,,,,,35464,bmst000189,1
27,covalent,SING,C14,H32,,,,,35464,bmst000189,1
28,covalent,SING,S15,H37,,,,,35464,bmst000189,1
29,covalent,SING,N16,C17,,,,,35464,bmst000189,1
30,covalent,SING,N16,H33,,,,,35464,bmst000189,1
31,covalent,SING,C17,C18,,,,,35464,bmst000189,1
32,covalent,SING,C17,H34,,,,,35464,bmst000189,1
33,covalent,SING,C17,H35,,,,,35464,bmst000189,1
34,covalent,DOUB,C18,O19,,,,,35464,bmst000189,1
35,covalent,SING,C18,O20,,,,,35464,bmst000189,1
36,covalent,SING,O20,H36,,,,,35464,bmst000189,1
1,covalent,SING,C1,C2,,,,,35474,bmst000190,1
2,covalent,SING,C1,O3,,,,,35474,bmst000190,1
3,covalent,SING,C1,C4,,,,,35474,bmst000190,1
4,covalent,SING,C1,H13,,,,,35474,bmst000190,1
5,covalent,SING,C2,C5,,,,,35474,bmst000190,1
6,covalent,SING,C2,O6,,,,,35474,bmst000190,1
7,covalent,SING,C2,H14,,,,,35474,bmst000190,1
8,covalent,SING,O3,C7,,,,,35474,bmst000190,1
9,covalent,SING,C4,C8,,,,,35474,bmst000190,1
10,covalent,SING,C4,O9,,,,,35474,bmst000190,1
11,covalent,SING,C4,H15,,,,,35474,bmst000190,1
12,covalent,SING,C5,C7,,,,,35474,bmst000190,1
13,covalent,SING,C5,O10,,,,,35474,bmst000190,1
14,covalent,SING,C5,H16,,,,,35474,bmst000190,1
15,covalent,SING,O6,H17,,,,,35474,bmst000190,1
16,covalent,DOUB,C7,O11,,,,,35474,bmst000190,1
17,covalent,SING,C8,O12,,,,,35474,bmst000190,1
18,covalent,SING,C8,H18,,,,,35474,bmst000190,1
19,covalent,SING,C8,H19,,,,,35474,bmst000190,1
20,covalent,SING,O9,H20,,,,,35474,bmst000190,1
21,covalent,SING,O10,H21,,,,,35474,bmst000190,1
22,covalent,SING,O12,H22,,,,,35474,bmst000190,1
1,covalent,DOUB,C1,C2,,,,,35484,bmst000191,1
2,covalent,SING,C1,C3,,,,,35484,bmst000191,1
3,covalent,SING,C1,H16,,,,,35484,bmst000191,1
4,covalent,SING,C2,C4,,,,,35484,bmst000191,1
5,covalent,SING,C2,H17,,,,,35484,bmst000191,1
6,covalent,DOUB,C3,C6,,,,,35484,bmst000191,1
7,covalent,SING,C3,H18,,,,,35484,bmst000191,1
8,covalent,DOUB,C4,C7,,,,,35484,bmst000191,1
9,covalent,SING,C4,H19,,,,,35484,bmst000191,1
10,covalent,SING,C5,C8,,,,,35484,bmst000191,1
11,covalent,SING,C5,C9,,,,,35484,bmst000191,1
12,covalent,SING,C5,H20,,,,,35484,bmst000191,1
13,covalent,SING,C5,H21,,,,,35484,bmst000191,1
14,covalent,SING,C6,C7,,,,,35484,bmst000191,1
15,covalent,SING,C6,C9,,,,,35484,bmst000191,1
16,covalent,SING,C7,N11,,,,,35484,bmst000191,1
17,covalent,SING,C8,C10,,,,,35484,bmst000191,1
18,covalent,SING,C8,N12,,,,,35484,bmst000191,1
19,covalent,SING,C8,H22,,,,,35484,bmst000191,1
20,covalent,DOUB,C9,O14,,,,,35484,bmst000191,1
21,covalent,SING,C10,O13,,,,,35484,bmst000191,1
22,covalent,DOUB,C10,O15,,,,,35484,bmst000191,1
23,covalent,SING,N11,H23,,,,,35484,bmst000191,1
24,covalent,SING,N11,H24,,,,,35484,bmst000191,1
25,covalent,SING,N12,H25,,,,,35484,bmst000191,1
26,covalent,SING,N12,H26,,,,,35484,bmst000191,1
27,covalent,SING,O13,H27,,,,,35484,bmst000191,1
1,covalent,SING,C1,C2,,,,,35494,bmst000192,1
2,covalent,DOUB,C1,O4,,,,,35494,bmst000192,1
3,covalent,SING,C1,O6,,,,,35494,bmst000192,1
4,covalent,SING,C2,C3,,,,,35494,bmst000192,1
5,covalent,SING,C2,O5,,,,,35494,bmst000192,1
6,covalent,SING,C2,H7,,,,,35494,bmst000192,1
7,covalent,SING,C3,H8,,,,,35494,bmst000192,1
8,covalent,SING,C3,H9,,,,,35494,bmst000192,1
9,covalent,SING,C3,H10,,,,,35494,bmst000192,1
10,covalent,SING,O5,H11,,,,,35494,bmst000192,1
11,covalent,SING,O6,H12,,,,,35494,bmst000192,1
1,covalent,SING,C2,N1,,,,,35504,bmst000194,1
2,covalent,SING,N1,H10,,,,,35504,bmst000194,1
3,covalent,SING,N1,H11,,,,,35504,bmst000194,1
4,covalent,SING,C2,C3,,,,,35504,bmst000194,1
5,covalent,SING,C2,C7,,,,,35504,bmst000194,1
6,covalent,SING,C2,H12,,,,,35504,bmst000194,1
7,covalent,SING,C3,C4,,,,,35504,bmst000194,1
8,covalent,SING,C3,H13,,,,,35504,bmst000194,1
9,covalent,SING,C3,H14,,,,,35504,bmst000194,1
10,covalent,SING,C4,C5,,,,,35504,bmst000194,1
11,covalent,SING,C4,H15,,,,,35504,bmst000194,1
12,covalent,SING,C4,H16,,,,,35504,bmst000194,1
13,covalent,SING,C5,N6,,,,,35504,bmst000194,1
14,covalent,SING,C5,H17,,,,,35504,bmst000194,1
15,covalent,SING,C5,H18,,,,,35504,bmst000194,1
16,covalent,SING,N6,H19,,,,,35504,bmst000194,1
17,covalent,SING,N6,H20,,,,,35504,bmst000194,1
18,covalent,DOUB,C7,O8,,,,,35504,bmst000194,1
19,covalent,SING,C7,O9,,,,,35504,bmst000194,1
20,covalent,SING,O9,H21,,,,,35504,bmst000194,1
1,covalent,SING,C2,N1,,,,,35514,bmst000195,1
2,covalent,SING,N1,H10,,,,,35514,bmst000195,1
3,covalent,SING,N1,H11,,,,,35514,bmst000195,1
4,covalent,SING,C2,C3,,,,,35514,bmst000195,1
5,covalent,SING,C2,C6,,,,,35514,bmst000195,1
6,covalent,SING,C2,H12,,,,,35514,bmst000195,1
7,covalent,DOUB,C3,O4,,,,,35514,bmst000195,1
8,covalent,SING,C3,O5,,,,,35514,bmst000195,1
9,covalent,SING,O5,H13,,,,,35514,bmst000195,1
10,covalent,SING,C6,C7,,,,,35514,bmst000195,1
11,covalent,SING,C6,H14,,,,,35514,bmst000195,1
12,covalent,SING,C6,H15,,,,,35514,bmst000195,1
13,covalent,SING,C7,Se8,,,,,35514,bmst000195,1
14,covalent,SING,C7,H16,,,,,35514,bmst000195,1
15,covalent,SING,C7,H17,,,,,35514,bmst000195,1
16,covalent,SING,Se8,C9,,,,,35514,bmst000195,1
17,covalent,SING,C9,H18,,,,,35514,bmst000195,1
18,covalent,SING,C9,H19,,,,,35514,bmst000195,1
19,covalent,SING,C9,H20,,,,,35514,bmst000195,1
1,covalent,SING,C1,C2,,,,,35524,bmst000196,1
2,covalent,SING,C1,C3,,,,,35524,bmst000196,1
3,covalent,SING,C1,O5,,,,,35524,bmst000196,1
4,covalent,SING,C1,H11,,,,,35524,bmst000196,1
5,covalent,SING,C2,C4,,,,,35524,bmst000196,1
6,covalent,SING,C2,O6,,,,,35524,bmst000196,1
7,covalent,SING,C2,H12,,,,,35524,bmst000196,1
8,covalent,SING,C3,O7,,,,,35524,bmst000196,1
9,covalent,DOUB,C3,O9,,,,,35524,bmst000196,1
10,covalent,SING,C4,O8,,,,,35524,bmst000196,1
11,covalent,DOUB,C4,O10,,,,,35524,bmst000196,1
12,covalent,SING,O5,H13,,,,,35524,bmst000196,1
13,covalent,SING,O6,H14,,,,,35524,bmst000196,1
14,covalent,SING,O7,H15,,,,,35524,bmst000196,1
15,covalent,SING,O8,H16,,,,,35524,bmst000196,1
1,covalent,SING,O1,C3,,,,,35534,bmst000197,1
2,covalent,SING,O1,H8,,,,,35534,bmst000197,1
3,covalent,DOUB,O2,C3,,,,,35534,bmst000197,1
4,covalent,SING,C3,C4,,,,,35534,bmst000197,1
5,covalent,SING,C4,N5,,,,,35534,bmst000197,1
6,covalent,SING,C4,H9,,,,,35534,bmst000197,1
7,covalent,SING,C4,H10,,,,,35534,bmst000197,1
8,covalent,SING,N5,C6,,,,,35534,bmst000197,1
9,covalent,SING,N5,C7,,,,,35534,bmst000197,1
10,covalent,SING,C6,H11,,,,,35534,bmst000197,1
11,covalent,SING,C6,H12,,,,,35534,bmst000197,1
12,covalent,SING,C6,H13,,,,,35534,bmst000197,1
13,covalent,SING,C7,H14,,,,,35534,bmst000197,1
14,covalent,SING,C7,H15,,,,,35534,bmst000197,1
15,covalent,SING,C7,H16,,,,,35534,bmst000197,1
1,covalent,SING,C1,C2,,,,,35544,bmst000198,1
2,covalent,SING,C1,O10,,,,,35544,bmst000198,1
3,covalent,SING,C1,O13,,,,,35544,bmst000198,1
4,covalent,SING,C1,H16,,,,,35544,bmst000198,1
5,covalent,SING,C2,C3,,,,,35544,bmst000198,1
6,covalent,SING,C2,N9,,,,,35544,bmst000198,1
7,covalent,SING,C2,H17,,,,,35544,bmst000198,1
8,covalent,SING,C3,C4,,,,,35544,bmst000198,1
9,covalent,SING,C3,O11,,,,,35544,bmst000198,1
10,covalent,SING,C3,H18,,,,,35544,bmst000198,1
11,covalent,SING,C4,C5,,,,,35544,bmst000198,1
12,covalent,SING,C4,O12,,,,,35544,bmst000198,1
13,covalent,SING,C4,H19,,,,,35544,bmst000198,1
14,covalent,SING,C5,C6,,,,,35544,bmst000198,1
15,covalent,SING,C5,O13,,,,,35544,bmst000198,1
16,covalent,SING,C5,H20,,,,,35544,bmst000198,1
17,covalent,SING,C6,O14,,,,,35544,bmst000198,1
18,covalent,SING,C6,H21,,,,,35544,bmst000198,1
19,covalent,SING,C6,H22,,,,,35544,bmst000198,1
20,covalent,SING,C7,C8,,,,,35544,bmst000198,1
21,covalent,SING,C7,N9,,,,,35544,bmst000198,1
22,covalent,DOUB,C7,O15,,,,,35544,bmst000198,1
23,covalent,SING,C8,H23,,,,,35544,bmst000198,1
24,covalent,SING,C8,H24,,,,,35544,bmst000198,1
25,covalent,SING,C8,H25,,,,,35544,bmst000198,1
26,covalent,SING,N9,H26,,,,,35544,bmst000198,1
27,covalent,SING,O10,H27,,,,,35544,bmst000198,1
28,covalent,SING,O11,H28,,,,,35544,bmst000198,1
29,covalent,SING,O12,H29,,,,,35544,bmst000198,1
30,covalent,SING,O14,H30,,,,,35544,bmst000198,1
1,covalent,SING,C1,C2,,,,,35554,bmst000199,1
2,covalent,SING,C1,C3,,,,,35554,bmst000199,1
3,covalent,SING,C1,N4,,,,,35554,bmst000199,1
4,covalent,SING,C1,H20,,,,,35554,bmst000199,1
5,covalent,SING,C2,O5,,,,,35554,bmst000199,1
6,covalent,SING,C2,O6,,,,,35554,bmst000199,1
7,covalent,SING,C2,H21,,,,,35554,bmst000199,1
8,covalent,SING,C3,C7,,,,,35554,bmst000199,1
9,covalent,SING,C3,O8,,,,,35554,bmst000199,1
10,covalent,SING,C3,H22,,,,,35554,bmst000199,1
11,covalent,SING,N4,C9,,,,,35554,bmst000199,1
12,covalent,SING,N4,H23,,,,,35554,bmst000199,1
13,covalent,SING,O5,C10,,,,,35554,bmst000199,1
14,covalent,SING,O6,P11,,,,,35554,bmst000199,1
15,covalent,SING,C7,C10,,,,,35554,bmst000199,1
16,covalent,SING,C7,O12,,,,,35554,bmst000199,1
17,covalent,SING,C7,H24,,,,,35554,bmst000199,1
18,covalent,SING,O8,H25,,,,,35554,bmst000199,1
19,covalent,SING,C9,C13,,,,,35554,bmst000199,1
20,covalent,DOUB,C9,O14,,,,,35554,bmst000199,1
21,covalent,SING,C10,C15,,,,,35554,bmst000199,1
22,covalent,SING,C10,H26,,,,,35554,bmst000199,1
23,covalent,SING,P11,O16,,,,,35554,bmst000199,1
24,covalent,SING,P11,O17,,,,,35554,bmst000199,1
25,covalent,DOUB,P11,O18,,,,,35554,bmst000199,1
26,covalent,SING,O12,H27,,,,,35554,bmst000199,1
27,covalent,SING,C13,H28,,,,,35554,bmst000199,1
28,covalent,SING,C13,H29,,,,,35554,bmst000199,1
29,covalent,SING,C13,H30,,,,,35554,bmst000199,1
30,covalent,SING,C15,O19,,,,,35554,bmst000199,1
31,covalent,SING,C15,H31,,,,,35554,bmst000199,1
32,covalent,SING,C15,H32,,,,,35554,bmst000199,1
33,covalent,SING,O16,H33,,,,,35554,bmst000199,1
34,covalent,SING,O17,H34,,,,,35554,bmst000199,1
35,covalent,SING,O19,H35,,,,,35554,bmst000199,1
1,covalent,SING,C1,C2,,,,,35564,bmst000200,1
2,covalent,SING,C1,H20,,,,,35564,bmst000200,1
3,covalent,SING,C1,H21,,,,,35564,bmst000200,1
4,covalent,SING,C1,H22,,,,,35564,bmst000200,1
5,covalent,DOUB,C2,O3,,,,,35564,bmst000200,1
6,covalent,SING,C2,N4,,,,,35564,bmst000200,1
7,covalent,SING,N4,C5,,,,,35564,bmst000200,1
8,covalent,SING,N4,H23,,,,,35564,bmst000200,1
9,covalent,SING,C5,C6,,,,,35564,bmst000200,1
10,covalent,SING,C5,C10,,,,,35564,bmst000200,1
11,covalent,SING,C5,H24,,,,,35564,bmst000200,1
12,covalent,SING,C6,C7,,,,,35564,bmst000200,1
13,covalent,SING,C6,O19,,,,,35564,bmst000200,1
14,covalent,SING,C6,H25,,,,,35564,bmst000200,1
15,covalent,SING,C7,C8,,,,,35564,bmst000200,1
16,covalent,SING,C7,O18,,,,,35564,bmst000200,1
17,covalent,SING,C7,H26,,,,,35564,bmst000200,1
18,covalent,SING,C8,O9,,,,,35564,bmst000200,1
19,covalent,SING,C8,C12,,,,,35564,bmst000200,1
20,covalent,SING,C8,H27,,,,,35564,bmst000200,1
21,covalent,SING,O9,C10,,,,,35564,bmst000200,1
22,covalent,SING,C10,O11,,,,,35564,bmst000200,1
23,covalent,SING,C10,H28,,,,,35564,bmst000200,1
24,covalent,SING,O11,H29,,,,,35564,bmst000200,1
25,covalent,SING,C12,O13,,,,,35564,bmst000200,1
26,covalent,SING,C12,H30,,,,,35564,bmst000200,1
27,covalent,SING,C12,H31,,,,,35564,bmst000200,1
28,covalent,SING,O13,P14,,,,,35564,bmst000200,1
29,covalent,DOUB,P14,O15,,,,,35564,bmst000200,1
30,covalent,SING,P14,O16,,,,,35564,bmst000200,1
31,covalent,SING,P14,O17,,,,,35564,bmst000200,1
32,covalent,SING,O16,H32,,,,,35564,bmst000200,1
33,covalent,SING,O17,H33,,,,,35564,bmst000200,1
34,covalent,SING,O18,H34,,,,,35564,bmst000200,1
35,covalent,SING,O19,H35,,,,,35564,bmst000200,1
1,covalent,SING,C1,C2,,,,,35574,bmst000201,1
2,covalent,SING,C1,H10,,,,,35574,bmst000201,1
3,covalent,SING,C1,H11,,,,,35574,bmst000201,1
4,covalent,SING,C1,H12,,,,,35574,bmst000201,1
5,covalent,SING,C2,C3,,,,,35574,bmst000201,1
6,covalent,SING,C2,N6,,,,,35574,bmst000201,1
7,covalent,SING,C2,H13,,,,,35574,bmst000201,1
8,covalent,DOUB,C3,O4,,,,,35574,bmst000201,1
9,covalent,SING,C3,O5,,,,,35574,bmst000201,1
10,covalent,SING,O5,H18,,,,,35574,bmst000201,1
11,covalent,SING,N6,C7,,,,,35574,bmst000201,1
12,covalent,SING,N6,H14,,,,,35574,bmst000201,1
13,covalent,DOUB,C7,O8,,,,,35574,bmst000201,1
14,covalent,SING,C7,C9,,,,,35574,bmst000201,1
15,covalent,SING,C9,H15,,,,,35574,bmst000201,1
16,covalent,SING,C9,H16,,,,,35574,bmst000201,1
17,covalent,SING,C9,H17,,,,,35574,bmst000201,1
1,covalent,SING,C1,C2,,,,,35584,bmst000202,1
2,covalent,SING,C1,H14,,,,,35584,bmst000202,1
3,covalent,SING,C1,H15,,,,,35584,bmst000202,1
4,covalent,SING,C1,H16,,,,,35584,bmst000202,1
5,covalent,DOUB,C2,O3,,,,,35584,bmst000202,1
6,covalent,SING,C2,N4,,,,,35584,bmst000202,1
7,covalent,SING,N4,C5,,,,,35584,bmst000202,1
8,covalent,SING,N4,H17,,,,,35584,bmst000202,1
9,covalent,SING,C5,C6,,,,,35584,bmst000202,1
10,covalent,SING,C5,C11,,,,,35584,bmst000202,1
11,covalent,SING,C5,H18,,,,,35584,bmst000202,1
12,covalent,SING,C6,C7,,,,,35584,bmst000202,1
13,covalent,SING,C6,H19,,,,,35584,bmst000202,1
14,covalent,SING,C6,H20,,,,,35584,bmst000202,1
15,covalent,SING,C7,C8,,,,,35584,bmst000202,1
16,covalent,SING,C7,H21,,,,,35584,bmst000202,1
17,covalent,SING,C7,H22,,,,,35584,bmst000202,1
18,covalent,DOUB,C8,O9,,,,,35584,bmst000202,1
19,covalent,SING,C8,N10,,,,,35584,bmst000202,1
20,covalent,SING,N10,H23,,,,,35584,bmst000202,1
21,covalent,SING,N10,H24,,,,,35584,bmst000202,1
22,covalent,DOUB,C11,O12,,,,,35584,bmst000202,1
23,covalent,SING,C11,O13,,,,,35584,bmst000202,1
24,covalent,SING,O13,H25,,,,,35584,bmst000202,1
1,covalent,SING,C1,N2,,,,,35594,bmst000203,1
2,covalent,SING,C1,C3,,,,,35594,bmst000203,1
3,covalent,SING,C1,C4,,,,,35594,bmst000203,1
4,covalent,SING,C1,H13,,,,,35594,bmst000203,1
5,covalent,SING,N2,C5,,,,,35594,bmst000203,1
6,covalent,SING,N2,H14,,,,,35594,bmst000203,1
7,covalent,SING,C3,O6,,,,,35594,bmst000203,1
8,covalent,DOUB,C3,O7,,,,,35594,bmst000203,1
9,covalent,SING,C4,C8,,,,,35594,bmst000203,1
10,covalent,SING,C4,H15,,,,,35594,bmst000203,1
11,covalent,SING,C4,H16,,,,,35594,bmst000203,1
12,covalent,SING,C5,C9,,,,,35594,bmst000203,1
13,covalent,DOUB,C5,O10,,,,,35594,bmst000203,1
14,covalent,SING,O6,H17,,,,,35594,bmst000203,1
15,covalent,SING,C8,C11,,,,,35594,bmst000203,1
16,covalent,SING,C8,H18,,,,,35594,bmst000203,1
17,covalent,SING,C8,H19,,,,,35594,bmst000203,1
18,covalent,SING,C9,H20,,,,,35594,bmst000203,1
19,covalent,SING,C9,H21,,,,,35594,bmst000203,1
20,covalent,SING,C9,H22,,,,,35594,bmst000203,1
21,covalent,SING,C11,N12,,,,,35594,bmst000203,1
22,covalent,SING,C11,H23,,,,,35594,bmst000203,1
23,covalent,SING,C11,H24,,,,,35594,bmst000203,1
24,covalent,SING,N12,H25,,,,,35594,bmst000203,1
25,covalent,SING,N12,H26,,,,,35594,bmst000203,1
1,covalent,DOUB,C1,O2,,,,,35604,bmst000204,1
2,covalent,SING,C1,O3,,,,,35604,bmst000204,1
3,covalent,SING,C1,C4,,,,,35604,bmst000204,1
4,covalent,SING,O3,H5,,,,,35604,bmst000204,1
5,covalent,SING,C4,H6,,,,,35604,bmst000204,1
6,covalent,SING,C4,H7,,,,,35604,bmst000204,1
7,covalent,SING,C4,H8,,,,,35604,bmst000204,1
1,covalent,SING,C1,C2,,,,,35614,bmst000206,1
2,covalent,SING,C1,N11,,,,,35614,bmst000206,1
3,covalent,SING,C1,H15,,,,,35614,bmst000206,1
4,covalent,SING,C1,H16,,,,,35614,bmst000206,1
5,covalent,SING,C2,C3,,,,,35614,bmst000206,1
6,covalent,SING,C2,O7,,,,,35614,bmst000206,1
7,covalent,SING,C2,H17,,,,,35614,bmst000206,1
8,covalent,SING,C3,C4,,,,,35614,bmst000206,1
9,covalent,SING,C3,H18,,,,,35614,bmst000206,1
10,covalent,SING,C3,H19,,,,,35614,bmst000206,1
11,covalent,SING,C4,O5,,,,,35614,bmst000206,1
12,covalent,DOUB,C4,O6,,,,,35614,bmst000206,1
13,covalent,SING,O7,C8,,,,,35614,bmst000206,1
14,covalent,SING,C8,C9,,,,,35614,bmst000206,1
15,covalent,DOUB,C8,O10,,,,,35614,bmst000206,1
16,covalent,SING,C9,H20,,,,,35614,bmst000206,1
17,covalent,SING,C9,H21,,,,,35614,bmst000206,1
18,covalent,SING,C9,H22,,,,,35614,bmst000206,1
19,covalent,SING,N11,C12,,,,,35614,bmst000206,1
20,covalent,SING,N11,C13,,,,,35614,bmst000206,1
21,covalent,SING,N11,C14,,,,,35614,bmst000206,1
22,covalent,SING,C12,H23,,,,,35614,bmst000206,1
23,covalent,SING,C12,H24,,,,,35614,bmst000206,1
24,covalent,SING,C12,H25,,,,,35614,bmst000206,1
25,covalent,SING,C13,H26,,,,,35614,bmst000206,1
26,covalent,SING,C13,H27,,,,,35614,bmst000206,1
27,covalent,SING,C13,H28,,,,,35614,bmst000206,1
28,covalent,SING,C14,H29,,,,,35614,bmst000206,1
29,covalent,SING,C14,H30,,,,,35614,bmst000206,1
30,covalent,SING,C14,H31,,,,,35614,bmst000206,1
1,covalent,SING,H1,C11,,,,,35624,bmst000208,1
2,covalent,SING,H2,C12,,,,,35624,bmst000208,1
3,covalent,SING,H3,C13,,,,,35624,bmst000208,1
4,covalent,SING,H4,C14,,,,,35624,bmst000208,1
5,covalent,SING,H5,C15,,,,,35624,bmst000208,1
6,covalent,SING,H6,C17,,,,,35624,bmst000208,1
7,covalent,SING,H7,N18,,,,,35624,bmst000208,1
8,covalent,SING,H8,N18,,,,,35624,bmst000208,1
9,covalent,SING,H9,O20,,,,,35624,bmst000208,1
10,covalent,SING,H10,O21,,,,,35624,bmst000208,1
11,covalent,DOUB,C11,C12,,,,,35624,bmst000208,1
12,covalent,SING,C11,C13,,,,,35624,bmst000208,1
13,covalent,SING,C12,C14,,,,,35624,bmst000208,1
14,covalent,DOUB,C13,C15,,,,,35624,bmst000208,1
15,covalent,DOUB,C14,C16,,,,,35624,bmst000208,1
16,covalent,SING,C15,C16,,,,,35624,bmst000208,1
17,covalent,SING,C16,C17,,,,,35624,bmst000208,1
18,covalent,SING,C17,N18,,,,,35624,bmst000208,1
19,covalent,SING,C17,P22,,,,,35624,bmst000208,1
20,covalent,DOUB,O19,P22,,,,,35624,bmst000208,1
21,covalent,SING,O20,P22,,,,,35624,bmst000208,1
22,covalent,SING,O21,P22,,,,,35624,bmst000208,1
1,covalent,SING,O1,C6,,,,,35634,bmst000209,1
2,covalent,SING,O1,H14,,,,,35634,bmst000209,1
3,covalent,SING,O2,C8,,,,,35634,bmst000209,1
4,covalent,SING,O2,H15,,,,,35634,bmst000209,1
5,covalent,DOUB,O3,C6,,,,,35634,bmst000209,1
6,covalent,DOUB,O4,C7,,,,,35634,bmst000209,1
7,covalent,SING,C5,C7,,,,,35634,bmst000209,1
8,covalent,SING,C5,C9,,,,,35634,bmst000209,1
9,covalent,SING,C5,H16,,,,,35634,bmst000209,1
10,covalent,SING,C5,H17,,,,,35634,bmst000209,1
11,covalent,SING,C6,C7,,,,,35634,bmst000209,1
12,covalent,SING,C8,C10,,,,,35634,bmst000209,1
13,covalent,DOUB,C8,C11,,,,,35634,bmst000209,1
14,covalent,DOUB,C9,C12,,,,,35634,bmst000209,1
15,covalent,SING,C9,C13,,,,,35634,bmst000209,1
16,covalent,DOUB,C10,C13,,,,,35634,bmst000209,1
17,covalent,SING,C10,H18,,,,,35634,bmst000209,1
18,covalent,SING,C11,C12,,,,,35634,bmst000209,1
19,covalent,SING,C11,H19,,,,,35634,bmst000209,1
20,covalent,SING,C12,H21,,,,,35634,bmst000209,1
21,covalent,SING,C13,H20,,,,,35634,bmst000209,1
1,covalent,SING,O1,C4,,,,,35644,bmst000210,1
2,covalent,SING,O1,H10,,,,,35644,bmst000210,1
3,covalent,DOUB,O2,C3,,,,,35644,bmst000210,1
4,covalent,SING,C3,C5,,,,,35644,bmst000210,1
5,covalent,SING,C3,H11,,,,,35644,bmst000210,1
6,covalent,SING,C4,C6,,,,,35644,bmst000210,1
7,covalent,DOUB,C4,C7,,,,,35644,bmst000210,1
8,covalent,SING,C5,C8,,,,,35644,bmst000210,1
9,covalent,DOUB,C5,C9,,,,,35644,bmst000210,1
10,covalent,DOUB,C6,C8,,,,,35644,bmst000210,1
11,covalent,SING,C6,H12,,,,,35644,bmst000210,1
12,covalent,SING,C7,C9,,,,,35644,bmst000210,1
13,covalent,SING,C7,H13,,,,,35644,bmst000210,1
14,covalent,SING,C8,H14,,,,,35644,bmst000210,1
15,covalent,SING,C9,H15,,,,,35644,bmst000210,1
1,covalent,SING,O1,C6,,,,,35654,bmst000211,1
2,covalent,SING,O1,H12,,,,,35654,bmst000211,1
3,covalent,SING,O2,C7,,,,,35654,bmst000211,1
4,covalent,SING,O2,H13,,,,,35654,bmst000211,1
5,covalent,DOUB,O3,N5,,,,,35654,bmst000211,1
6,covalent,SING,O4,N5,,,,,35654,bmst000211,1
7,covalent,SING,N5,C8,,,,,35654,bmst000211,1
8,covalent,DOUB,C6,C7,,,,,35654,bmst000211,1
9,covalent,SING,C6,C9,,,,,35654,bmst000211,1
10,covalent,SING,C7,C10,,,,,35654,bmst000211,1
11,covalent,DOUB,C8,C9,,,,,35654,bmst000211,1
12,covalent,SING,C8,C11,,,,,35654,bmst000211,1
13,covalent,SING,C9,H14,,,,,35654,bmst000211,1
14,covalent,DOUB,C10,C11,,,,,35654,bmst000211,1
15,covalent,SING,C10,H15,,,,,35654,bmst000211,1
16,covalent,SING,C11,H16,,,,,35654,bmst000211,1
1,covalent,SING,P1,O2,,,,,35664,bmst000212,1
2,covalent,SING,P1,O3,,,,,35664,bmst000212,1
3,covalent,SING,P1,O4,,,,,35664,bmst000212,1
4,covalent,DOUB,P1,O5,,,,,35664,bmst000212,1
5,covalent,SING,O2,C9,,,,,35664,bmst000212,1
6,covalent,SING,O3,H15,,,,,35664,bmst000212,1
7,covalent,SING,O4,H16,,,,,35664,bmst000212,1
8,covalent,DOUB,O6,N8,,,,,35664,bmst000212,1
9,covalent,SING,O7,N8,,,,,35664,bmst000212,1
10,covalent,SING,N8,C10,,,,,35664,bmst000212,1
11,covalent,SING,C9,C11,,,,,35664,bmst000212,1
12,covalent,DOUB,C9,C12,,,,,35664,bmst000212,1
13,covalent,DOUB,C10,C13,,,,,35664,bmst000212,1
14,covalent,SING,C10,C14,,,,,35664,bmst000212,1
15,covalent,DOUB,C11,C14,,,,,35664,bmst000212,1
16,covalent,SING,C11,H17,,,,,35664,bmst000212,1
17,covalent,SING,C12,C13,,,,,35664,bmst000212,1
18,covalent,SING,C12,H18,,,,,35664,bmst000212,1
19,covalent,SING,C13,H20,,,,,35664,bmst000212,1
20,covalent,SING,C14,H19,,,,,35664,bmst000212,1
1,covalent,DOUB,C1,C3,,,,,35674,bmst000213,1
2,covalent,SING,C1,C5,,,,,35674,bmst000213,1
3,covalent,SING,C1,H11,,,,,35674,bmst000213,1
4,covalent,SING,C2,C4,,,,,35674,bmst000213,1
5,covalent,DOUB,C2,C5,,,,,35674,bmst000213,1
6,covalent,SING,C2,H12,,,,,35674,bmst000213,1
7,covalent,SING,C3,C6,,,,,35674,bmst000213,1
8,covalent,SING,C3,H13,,,,,35674,bmst000213,1
9,covalent,DOUB,C4,C6,,,,,35674,bmst000213,1
10,covalent,SING,C4,H14,,,,,35674,bmst000213,1
11,covalent,SING,C5,N7,,,,,35674,bmst000213,1
12,covalent,SING,C6,O8,,,,,35674,bmst000213,1
13,covalent,SING,N7,O9,,,,,35674,bmst000213,1
14,covalent,DOUB,N7,O10,,,,,35674,bmst000213,1
15,covalent,SING,O8,H15,,,,,35674,bmst000213,1
1,covalent,SING,C1,C8,,,,,35684,bmst000214,1
2,covalent,SING,C1,H17,,,,,35684,bmst000214,1
3,covalent,SING,C1,H18,,,,,35684,bmst000214,1
4,covalent,SING,C1,H19,,,,,35684,bmst000214,1
5,covalent,DOUB,C2,C3,,,,,35684,bmst000214,1
6,covalent,SING,C2,C5,,,,,35684,bmst000214,1
7,covalent,SING,C2,H20,,,,,35684,bmst000214,1
8,covalent,SING,C3,C6,,,,,35684,bmst000214,1
9,covalent,SING,C3,H21,,,,,35684,bmst000214,1
10,covalent,DOUB,C4,C5,,,,,35684,bmst000214,1
11,covalent,SING,C4,C7,,,,,35684,bmst000214,1
12,covalent,SING,C4,H22,,,,,35684,bmst000214,1
13,covalent,SING,C5,N10,,,,,35684,bmst000214,1
14,covalent,DOUB,C6,C7,,,,,35684,bmst000214,1
15,covalent,SING,C6,N11,,,,,35684,bmst000214,1
16,covalent,SING,C7,C9,,,,,35684,bmst000214,1
17,covalent,SING,C8,N10,,,,,35684,bmst000214,1
18,covalent,DOUB,C8,O14,,,,,35684,bmst000214,1
19,covalent,SING,C9,O12,,,,,35684,bmst000214,1
20,covalent,DOUB,C9,O15,,,,,35684,bmst000214,1
21,covalent,SING,N10,H23,,,,,35684,bmst000214,1
22,covalent,SING,N11,O13,,,,,35684,bmst000214,1
23,covalent,DOUB,N11,O16,,,,,35684,bmst000214,1
24,covalent,SING,O12,H24,,,,,35684,bmst000214,1
1,covalent,DOUB,O1,C3,,,,,35694,bmst000215,1
2,covalent,SING,C2,C3,,,,,35694,bmst000215,1
3,covalent,SING,C2,H10,,,,,35694,bmst000215,1
4,covalent,SING,C2,H11,,,,,35694,bmst000215,1
5,covalent,SING,C2,H12,,,,,35694,bmst000215,1
6,covalent,SING,C3,C4,,,,,35694,bmst000215,1
7,covalent,DOUB,C4,C5,,,,,35694,bmst000215,1
8,covalent,SING,C4,C6,,,,,35694,bmst000215,1
9,covalent,SING,C5,C7,,,,,35694,bmst000215,1
10,covalent,SING,C5,H13,,,,,35694,bmst000215,1
11,covalent,DOUB,C6,C8,,,,,35694,bmst000215,1
12,covalent,SING,C6,H14,,,,,35694,bmst000215,1
13,covalent,DOUB,C7,C9,,,,,35694,bmst000215,1
14,covalent,SING,C7,H15,,,,,35694,bmst000215,1
15,covalent,SING,C8,C9,,,,,35694,bmst000215,1
16,covalent,SING,C8,H16,,,,,35694,bmst000215,1
17,covalent,SING,C9,H17,,,,,35694,bmst000215,1
1,covalent,SING,P1,O2,,,,,35704,bmst000216,1
2,covalent,SING,P1,O3,,,,,35704,bmst000216,1
3,covalent,SING,P1,O4,,,,,35704,bmst000216,1
4,covalent,DOUB,P1,O5,,,,,35704,bmst000216,1
5,covalent,SING,O2,C8,,,,,35704,bmst000216,1
6,covalent,SING,O3,H9,,,,,35704,bmst000216,1
7,covalent,SING,O4,H10,,,,,35704,bmst000216,1
8,covalent,DOUB,O6,C8,,,,,35704,bmst000216,1
9,covalent,SING,C7,C8,,,,,35704,bmst000216,1
10,covalent,SING,C7,H11,,,,,35704,bmst000216,1
11,covalent,SING,C7,H12,,,,,35704,bmst000216,1
12,covalent,SING,C7,H13,,,,,35704,bmst000216,1
1,covalent,SING,O1,C3,,,,,35714,bmst000217,1
2,covalent,SING,O1,H10,,,,,35714,bmst000217,1
3,covalent,DOUB,O2,C3,,,,,35714,bmst000217,1
4,covalent,SING,C3,C4,,,,,35714,bmst000217,1
5,covalent,DOUB,C4,C5,,,,,35714,bmst000217,1
6,covalent,SING,C4,C6,,,,,35714,bmst000217,1
7,covalent,SING,C5,C7,,,,,35714,bmst000217,1
8,covalent,SING,C5,H11,,,,,35714,bmst000217,1
9,covalent,DOUB,C6,C8,,,,,35714,bmst000217,1
10,covalent,SING,C6,H12,,,,,35714,bmst000217,1
11,covalent,DOUB,C7,C9,,,,,35714,bmst000217,1
12,covalent,SING,C7,H13,,,,,35714,bmst000217,1
13,covalent,SING,C8,C9,,,,,35714,bmst000217,1
14,covalent,SING,C8,H14,,,,,35714,bmst000217,1
15,covalent,SING,C9,H15,,,,,35714,bmst000217,1
1,covalent,TRIP,N1,C8,,,,,35724,bmst000218,1
2,covalent,DOUB,C2,C3,,,,,35724,bmst000218,1
3,covalent,SING,C2,C4,,,,,35724,bmst000218,1
4,covalent,SING,C2,C8,,,,,35724,bmst000218,1
5,covalent,SING,C3,C5,,,,,35724,bmst000218,1
6,covalent,SING,C3,H9,,,,,35724,bmst000218,1
7,covalent,DOUB,C4,C6,,,,,35724,bmst000218,1
8,covalent,SING,C4,H10,,,,,35724,bmst000218,1
9,covalent,DOUB,C5,C7,,,,,35724,bmst000218,1
10,covalent,SING,C5,H11,,,,,35724,bmst000218,1
11,covalent,SING,C6,C7,,,,,35724,bmst000218,1
12,covalent,SING,C6,H12,,,,,35724,bmst000218,1
13,covalent,SING,C7,H13,,,,,35724,bmst000218,1
1,covalent,SING,P1,O3,,,,,35734,bmst000219,1
2,covalent,SING,P1,O4,,,,,35734,bmst000219,1
3,covalent,SING,P1,O5,,,,,35734,bmst000219,1
4,covalent,DOUB,P1,O11,,,,,35734,bmst000219,1
5,covalent,SING,P2,O3,,,,,35734,bmst000219,1
6,covalent,SING,P2,O6,,,,,35734,bmst000219,1
7,covalent,SING,P2,O7,,,,,35734,bmst000219,1
8,covalent,DOUB,P2,O12,,,,,35734,bmst000219,1
9,covalent,SING,O4,C17,,,,,35734,bmst000219,1
10,covalent,SING,O5,H26,,,,,35734,bmst000219,1
11,covalent,SING,O6,H27,,,,,35734,bmst000219,1
12,covalent,SING,O7,H28,,,,,35734,bmst000219,1
13,covalent,SING,C20,O8,,,,,35734,bmst000219,1
14,covalent,SING,O8,H29,,,,,35734,bmst000219,1
15,covalent,SING,C21,O9,,,,,35734,bmst000219,1
16,covalent,SING,O9,H30,,,,,35734,bmst000219,1
17,covalent,SING,O10,C18,,,,,35734,bmst000219,1
18,covalent,SING,O10,C19,,,,,35734,bmst000219,1
19,covalent,DOUB,O13,C22,,,,,35734,bmst000219,1
20,covalent,SING,N14,C23,,,,,35734,bmst000219,1
21,covalent,SING,N14,H31,,,,,35734,bmst000219,1
22,covalent,SING,N14,H32,,,,,35734,bmst000219,1
23,covalent,SING,C18,N15,,,,,35734,bmst000219,1
24,covalent,SING,N15,C22,,,,,35734,bmst000219,1
25,covalent,SING,N15,C24,,,,,35734,bmst000219,1
26,covalent,SING,N16,C22,,,,,35734,bmst000219,1
27,covalent,DOUB,N16,C23,,,,,35734,bmst000219,1
28,covalent,SING,C19,C17,,,,,35734,bmst000219,1
29,covalent,SING,C17,H33,,,,,35734,bmst000219,1
30,covalent,SING,C17,H34,,,,,35734,bmst000219,1
31,covalent,SING,C18,C20,,,,,35734,bmst000219,1
32,covalent,SING,C18,H35,,,,,35734,bmst000219,1
33,covalent,SING,C19,C21,,,,,35734,bmst000219,1
34,covalent,SING,C19,H36,,,,,35734,bmst000219,1
35,covalent,SING,C20,C21,,,,,35734,bmst000219,1
36,covalent,SING,C20,H37,,,,,35734,bmst000219,1
37,covalent,SING,C21,H38,,,,,35734,bmst000219,1
38,covalent,SING,C23,C25,,,,,35734,bmst000219,1
39,covalent,DOUB,C24,C25,,,,,35734,bmst000219,1
40,covalent,SING,C24,H39,,,,,35734,bmst000219,1
41,covalent,SING,C25,H40,,,,,35734,bmst000219,1
1,covalent,SING,P1,O4,,,,,35744,bmst000220,1
2,covalent,SING,P1,O5,,,,,35744,bmst000220,1
3,covalent,SING,P1,O7,,,,,35744,bmst000220,1
4,covalent,DOUB,P1,O14,,,,,35744,bmst000220,1
5,covalent,SING,P2,O4,,,,,35744,bmst000220,1
6,covalent,SING,P2,O6,,,,,35744,bmst000220,1
7,covalent,SING,P2,O8,,,,,35744,bmst000220,1
8,covalent,DOUB,P2,O15,,,,,35744,bmst000220,1
9,covalent,SING,P3,O5,,,,,35744,bmst000220,1
10,covalent,SING,P3,O9,,,,,35744,bmst000220,1
11,covalent,SING,P3,O10,,,,,35744,bmst000220,1
12,covalent,DOUB,P3,O16,,,,,35744,bmst000220,1
13,covalent,SING,O6,C21,,,,,35744,bmst000220,1
14,covalent,SING,O7,H30,,,,,35744,bmst000220,1
15,covalent,SING,O8,H31,,,,,35744,bmst000220,1
16,covalent,SING,O9,H32,,,,,35744,bmst000220,1
17,covalent,SING,O10,H33,,,,,35744,bmst000220,1
18,covalent,SING,C24,O11,,,,,35744,bmst000220,1
19,covalent,SING,O11,H34,,,,,35744,bmst000220,1
20,covalent,SING,C25,O12,,,,,35744,bmst000220,1
21,covalent,SING,O12,H35,,,,,35744,bmst000220,1
22,covalent,SING,O13,C22,,,,,35744,bmst000220,1
23,covalent,SING,O13,C23,,,,,35744,bmst000220,1
24,covalent,DOUB,O17,C26,,,,,35744,bmst000220,1
25,covalent,SING,N18,C27,,,,,35744,bmst000220,1
26,covalent,SING,N18,H36,,,,,35744,bmst000220,1
27,covalent,SING,N18,H37,,,,,35744,bmst000220,1
28,covalent,SING,C22,N19,,,,,35744,bmst000220,1
29,covalent,SING,N19,C26,,,,,35744,bmst000220,1
30,covalent,SING,N19,C28,,,,,35744,bmst000220,1
31,covalent,SING,N20,C26,,,,,35744,bmst000220,1
32,covalent,DOUB,N20,C27,,,,,35744,bmst000220,1
33,covalent,SING,C23,C21,,,,,35744,bmst000220,1
34,covalent,SING,C21,H38,,,,,35744,bmst000220,1
35,covalent,SING,C21,H39,,,,,35744,bmst000220,1
36,covalent,SING,C22,C24,,,,,35744,bmst000220,1
37,covalent,SING,C22,H40,,,,,35744,bmst000220,1
38,covalent,SING,C23,C25,,,,,35744,bmst000220,1
39,covalent,SING,C23,H41,,,,,35744,bmst000220,1
40,covalent,SING,C24,C25,,,,,35744,bmst000220,1
41,covalent,SING,C24,H42,,,,,35744,bmst000220,1
42,covalent,SING,C25,H43,,,,,35744,bmst000220,1
43,covalent,SING,C27,C29,,,,,35744,bmst000220,1
44,covalent,DOUB,C28,C29,,,,,35744,bmst000220,1
45,covalent,SING,C28,H44,,,,,35744,bmst000220,1
46,covalent,SING,C29,H45,,,,,35744,bmst000220,1
1,covalent,SING,O1,C3,,,,,35754,bmst000221,1
2,covalent,SING,O1,H8,,,,,35754,bmst000221,1
3,covalent,SING,N2,C4,,,,,35754,bmst000221,1
4,covalent,SING,N2,C5,,,,,35754,bmst000221,1
5,covalent,SING,N2,C6,,,,,35754,bmst000221,1
6,covalent,SING,N2,C7,,,,,35754,bmst000221,1
7,covalent,SING,C3,C4,,,,,35754,bmst000221,1
8,covalent,SING,C3,H9,,,,,35754,bmst000221,1
9,covalent,SING,C3,H10,,,,,35754,bmst000221,1
10,covalent,SING,C4,H11,,,,,35754,bmst000221,1
11,covalent,SING,C4,H12,,,,,35754,bmst000221,1
12,covalent,SING,C5,H13,,,,,35754,bmst000221,1
13,covalent,SING,C5,H14,,,,,35754,bmst000221,1
14,covalent,SING,C5,H21,,,,,35754,bmst000221,1
15,covalent,SING,C6,H15,,,,,35754,bmst000221,1
16,covalent,SING,C6,H16,,,,,35754,bmst000221,1
17,covalent,SING,C6,H17,,,,,35754,bmst000221,1
18,covalent,SING,C7,H18,,,,,35754,bmst000221,1
19,covalent,SING,C7,H19,,,,,35754,bmst000221,1
20,covalent,SING,C7,H20,,,,,35754,bmst000221,1
1,covalent,SING,S1,C30,,,,,35764,bmst000222,1
2,covalent,SING,S1,H49,,,,,35764,bmst000222,1
3,covalent,SING,P2,O5,,,,,35764,bmst000222,1
4,covalent,SING,P2,O6,,,,,35764,bmst000222,1
5,covalent,SING,P2,O9,,,,,35764,bmst000222,1
6,covalent,DOUB,P2,O16,,,,,35764,bmst000222,1
7,covalent,SING,P3,O5,,,,,35764,bmst000222,1
8,covalent,SING,P3,O7,,,,,35764,bmst000222,1
9,covalent,SING,P3,O10,,,,,35764,bmst000222,1
10,covalent,DOUB,P3,O17,,,,,35764,bmst000222,1
11,covalent,SING,P4,O8,,,,,35764,bmst000222,1
12,covalent,SING,P4,O11,,,,,35764,bmst000222,1
13,covalent,SING,P4,O12,,,,,35764,bmst000222,1
14,covalent,DOUB,P4,O18,,,,,35764,bmst000222,1
15,covalent,SING,O6,C31,,,,,35764,bmst000222,1
16,covalent,SING,O7,C34,,,,,35764,bmst000222,1
17,covalent,SING,C41,O8,,,,,35764,bmst000222,1
18,covalent,SING,O9,H50,,,,,35764,bmst000222,1
19,covalent,SING,O10,H51,,,,,35764,bmst000222,1
20,covalent,SING,O11,H52,,,,,35764,bmst000222,1
21,covalent,SING,O12,H53,,,,,35764,bmst000222,1
22,covalent,SING,O13,C29,,,,,35764,bmst000222,1
23,covalent,SING,O13,H54,,,,,35764,bmst000222,1
24,covalent,SING,C40,O14,,,,,35764,bmst000222,1
25,covalent,SING,O14,H55,,,,,35764,bmst000222,1
26,covalent,SING,O15,C38,,,,,35764,bmst000222,1
27,covalent,SING,O15,C39,,,,,35764,bmst000222,1
28,covalent,DOUB,O19,C42,,,,,35764,bmst000222,1
29,covalent,DOUB,O20,C43,,,,,35764,bmst000222,1
30,covalent,SING,N21,C33,,,,,35764,bmst000222,1
31,covalent,SING,N21,C42,,,,,35764,bmst000222,1
32,covalent,SING,N21,H56,,,,,35764,bmst000222,1
33,covalent,SING,N22,C32,,,,,35764,bmst000222,1
34,covalent,SING,N22,C43,,,,,35764,bmst000222,1
35,covalent,SING,N22,H57,,,,,35764,bmst000222,1
36,covalent,SING,N23,C44,,,,,35764,bmst000222,1
37,covalent,SING,N23,H58,,,,,35764,bmst000222,1
38,covalent,SING,N23,H59,,,,,35764,bmst000222,1
39,covalent,SING,C38,N24,,,,,35764,bmst000222,1
40,covalent,SING,N24,C45,,,,,35764,bmst000222,1
41,covalent,SING,N24,C47,,,,,35764,bmst000222,1
42,covalent,SING,N25,C46,,,,,35764,bmst000222,1
43,covalent,DOUB,N25,C47,,,,,35764,bmst000222,1
44,covalent,SING,N26,C44,,,,,35764,bmst000222,1
45,covalent,DOUB,N26,C48,,,,,35764,bmst000222,1
46,covalent,DOUB,N27,C45,,,,,35764,bmst000222,1
47,covalent,SING,N27,C48,,,,,35764,bmst000222,1
48,covalent,SING,C28,C29,,,,,35764,bmst000222,1
49,covalent,SING,C28,C31,,,,,35764,bmst000222,1
50,covalent,SING,C28,C36,,,,,35764,bmst000222,1
51,covalent,SING,C28,C37,,,,,35764,bmst000222,1
52,covalent,SING,C29,C42,,,,,35764,bmst000222,1
53,covalent,SING,C29,H60,,,,,35764,bmst000222,1
54,covalent,SING,C30,C32,,,,,35764,bmst000222,1
55,covalent,SING,C30,H61,,,,,35764,bmst000222,1
56,covalent,SING,C30,H62,,,,,35764,bmst000222,1
57,covalent,SING,C31,H63,,,,,35764,bmst000222,1
58,covalent,SING,C31,H64,,,,,35764,bmst000222,1
59,covalent,SING,C32,H65,,,,,35764,bmst000222,1
60,covalent,SING,C32,H66,,,,,35764,bmst000222,1
61,covalent,SING,C33,C35,,,,,35764,bmst000222,1
62,covalent,SING,C33,H67,,,,,35764,bmst000222,1
63,covalent,SING,C33,H68,,,,,35764,bmst000222,1
64,covalent,SING,C39,C34,,,,,35764,bmst000222,1
65,covalent,SING,C34,H69,,,,,35764,bmst000222,1
66,covalent,SING,C34,H70,,,,,35764,bmst000222,1
67,covalent,SING,C35,C43,,,,,35764,bmst000222,1
68,covalent,SING,C35,H71,,,,,35764,bmst000222,1
69,covalent,SING,C35,H72,,,,,35764,bmst000222,1
70,covalent,SING,C36,H74,,,,,35764,bmst000222,1
71,covalent,SING,C36,H75,,,,,35764,bmst000222,1
72,covalent,SING,C36,H76,,,,,35764,bmst000222,1
73,covalent,SING,C37,H73,,,,,35764,bmst000222,1
74,covalent,SING,C37,H77,,,,,35764,bmst000222,1
75,covalent,SING,C37,H78,,,,,35764,bmst000222,1
76,covalent,SING,C38,C40,,,,,35764,bmst000222,1
77,covalent,SING,C38,H79,,,,,35764,bmst000222,1
78,covalent,SING,C39,C41,,,,,35764,bmst000222,1
79,covalent,SING,C39,H80,,,,,35764,bmst000222,1
80,covalent,SING,C40,C41,,,,,35764,bmst000222,1
81,covalent,SING,C40,H81,,,,,35764,bmst000222,1
82,covalent,SING,C41,H82,,,,,35764,bmst000222,1
83,covalent,DOUB,C44,C46,,,,,35764,bmst000222,1
84,covalent,SING,C45,C46,,,,,35764,bmst000222,1
85,covalent,SING,C47,H83,,,,,35764,bmst000222,1
86,covalent,SING,C48,H84,,,,,35764,bmst000222,1
1,covalent,SING,O1,C6,,,,,35774,bmst000223,1
2,covalent,SING,O1,H7,,,,,35774,bmst000223,1
3,covalent,DOUB,O2,C6,,,,,35774,bmst000223,1
4,covalent,SING,N3,C4,,,,,35774,bmst000223,1
5,covalent,SING,N3,H8,,,,,35774,bmst000223,1
6,covalent,SING,N3,H9,,,,,35774,bmst000223,1
7,covalent,SING,C4,C5,,,,,35774,bmst000223,1
8,covalent,SING,C4,C6,,,,,35774,bmst000223,1
9,covalent,SING,C4,H10,,,,,35774,bmst000223,1
10,covalent,SING,C5,H11,,,,,35774,bmst000223,1
11,covalent,SING,C5,H12,,,,,35774,bmst000223,1
12,covalent,SING,C5,H13,,,,,35774,bmst000223,1
1,covalent,SING,O1,C8,,,,,35784,bmst000224,1
2,covalent,SING,O1,H10,,,,,35784,bmst000224,1
3,covalent,SING,O2,C9,,,,,35784,bmst000224,1
4,covalent,SING,O2,H11,,,,,35784,bmst000224,1
5,covalent,DOUB,O3,C8,,,,,35784,bmst000224,1
6,covalent,DOUB,O4,C9,,,,,35784,bmst000224,1
7,covalent,SING,C6,N5,,,,,35784,bmst000224,1
8,covalent,SING,N5,H12,,,,,35784,bmst000224,1
9,covalent,SING,N5,H13,,,,,35784,bmst000224,1
10,covalent,SING,C6,C7,,,,,35784,bmst000224,1
11,covalent,SING,C6,C8,,,,,35784,bmst000224,1
12,covalent,SING,C6,H14,,,,,35784,bmst000224,1
13,covalent,SING,C7,C9,,,,,35784,bmst000224,1
14,covalent,SING,C7,H15,,,,,35784,bmst000224,1
15,covalent,SING,C7,H16,,,,,35784,bmst000224,1
1,covalent,SING,P1,O2,,,,,35794,bmst000225,1
2,covalent,SING,P1,O3,,,,,35794,bmst000225,1
3,covalent,SING,P1,O4,,,,,35794,bmst000225,1
4,covalent,DOUB,P1,O10,,,,,35794,bmst000225,1
5,covalent,SING,O2,C11,,,,,35794,bmst000225,1
6,covalent,SING,O3,H17,,,,,35794,bmst000225,1
7,covalent,SING,O4,H18,,,,,35794,bmst000225,1
8,covalent,SING,O5,C12,,,,,35794,bmst000225,1
9,covalent,SING,O5,H19,,,,,35794,bmst000225,1
10,covalent,SING,O6,C13,,,,,35794,bmst000225,1
11,covalent,SING,O6,H20,,,,,35794,bmst000225,1
12,covalent,SING,C15,O7,,,,,35794,bmst000225,1
13,covalent,SING,O7,H21,,,,,35794,bmst000225,1
14,covalent,SING,C16,O8,,,,,35794,bmst000225,1
15,covalent,SING,O8,H22,,,,,35794,bmst000225,1
16,covalent,SING,O9,C13,,,,,35794,bmst000225,1
17,covalent,SING,O9,C14,,,,,35794,bmst000225,1
18,covalent,SING,C11,C13,,,,,35794,bmst000225,1
19,covalent,SING,C11,H23,,,,,35794,bmst000225,1
20,covalent,SING,C11,H24,,,,,35794,bmst000225,1
21,covalent,SING,C14,C12,,,,,35794,bmst000225,1
22,covalent,SING,C12,H25,,,,,35794,bmst000225,1
23,covalent,SING,C12,H26,,,,,35794,bmst000225,1
24,covalent,SING,C13,C15,,,,,35794,bmst000225,1
25,covalent,SING,C14,C16,,,,,35794,bmst000225,1
26,covalent,SING,C14,H27,,,,,35794,bmst000225,1
27,covalent,SING,C15,C16,,,,,35794,bmst000225,1
28,covalent,SING,C15,H28,,,,,35794,bmst000225,1
29,covalent,SING,C16,H29,,,,,35794,bmst000225,1
1,covalent,SING,P1,O3,,,,,35804,bmst000226,1
2,covalent,SING,P1,O5,,,,,35804,bmst000226,1
3,covalent,SING,P1,O6,,,,,35804,bmst000226,1
4,covalent,DOUB,P1,O13,,,,,35804,bmst000226,1
5,covalent,SING,P2,O4,,,,,35804,bmst000226,1
6,covalent,SING,P2,O7,,,,,35804,bmst000226,1
7,covalent,SING,P2,O8,,,,,35804,bmst000226,1
8,covalent,DOUB,P2,O14,,,,,35804,bmst000226,1
9,covalent,SING,O3,C16,,,,,35804,bmst000226,1
10,covalent,SING,C17,O4,,,,,35804,bmst000226,1
11,covalent,SING,O5,H21,,,,,35804,bmst000226,1
12,covalent,SING,O6,H22,,,,,35804,bmst000226,1
13,covalent,SING,O7,H24,,,,,35804,bmst000226,1
14,covalent,SING,O8,H23,,,,,35804,bmst000226,1
15,covalent,SING,O9,C15,,,,,35804,bmst000226,1
16,covalent,SING,O9,H25,,,,,35804,bmst000226,1
17,covalent,SING,C19,O10,,,,,35804,bmst000226,1
18,covalent,SING,O10,H26,,,,,35804,bmst000226,1
19,covalent,SING,C20,O11,,,,,35804,bmst000226,1
20,covalent,SING,O11,H27,,,,,35804,bmst000226,1
21,covalent,SING,O12,C17,,,,,35804,bmst000226,1
22,covalent,SING,O12,C18,,,,,35804,bmst000226,1
23,covalent,SING,C15,C17,,,,,35804,bmst000226,1
24,covalent,SING,C15,H28,,,,,35804,bmst000226,1
25,covalent,SING,C15,H29,,,,,35804,bmst000226,1
26,covalent,SING,C18,C16,,,,,35804,bmst000226,1
27,covalent,SING,C16,H30,,,,,35804,bmst000226,1
28,covalent,SING,C16,H31,,,,,35804,bmst000226,1
29,covalent,SING,C17,C19,,,,,35804,bmst000226,1
30,covalent,SING,C18,C20,,,,,35804,bmst000226,1
31,covalent,SING,C18,H32,,,,,35804,bmst000226,1
32,covalent,SING,C19,C20,,,,,35804,bmst000226,1
33,covalent,SING,C19,H33,,,,,35804,bmst000226,1
34,covalent,SING,C20,H34,,,,,35804,bmst000226,1
1,covalent,SING,C4,O1,,,,,35814,bmst000227,1
2,covalent,SING,O1,H7,,,,,35814,bmst000227,1
3,covalent,SING,O2,C5,,,,,35814,bmst000227,1
4,covalent,SING,O2,H8,,,,,35814,bmst000227,1
5,covalent,DOUB,O3,C6,,,,,35814,bmst000227,1
6,covalent,SING,C4,C5,,,,,35814,bmst000227,1
7,covalent,SING,C4,C6,,,,,35814,bmst000227,1
8,covalent,SING,C4,H9,,,,,35814,bmst000227,1
9,covalent,SING,C5,H10,,,,,35814,bmst000227,1
10,covalent,SING,C5,H11,,,,,35814,bmst000227,1
11,covalent,SING,C6,H12,,,,,35814,bmst000227,1
1,covalent,SING,P1,O2,,,,,35823,bmst000228,1
2,covalent,SING,P1,O3,,,,,35823,bmst000228,1
3,covalent,SING,P1,O4,,,,,35823,bmst000228,1
4,covalent,DOUB,P1,O8,,,,,35823,bmst000228,1
5,covalent,SING,O2,C13,,,,,35823,bmst000228,1
6,covalent,SING,O3,H16,,,,,35823,bmst000228,1
7,covalent,SING,O4,H15,,,,,35823,bmst000228,1
8,covalent,SING,C10,O5,,,,,35823,bmst000228,1
9,covalent,SING,O5,H17,,,,,35823,bmst000228,1
10,covalent,SING,C11,O6,,,,,35823,bmst000228,1
11,covalent,SING,O6,H18,,,,,35823,bmst000228,1
12,covalent,SING,C12,O7,,,,,35823,bmst000228,1
13,covalent,SING,O7,H19,,,,,35823,bmst000228,1
14,covalent,DOUB,O9,C14,,,,,35823,bmst000228,1
15,covalent,SING,C10,C11,,,,,35823,bmst000228,1
16,covalent,SING,C10,C12,,,,,35823,bmst000228,1
17,covalent,SING,C10,H20,,,,,35823,bmst000228,1
18,covalent,SING,C11,C13,,,,,35823,bmst000228,1
19,covalent,SING,C11,H21,,,,,35823,bmst000228,1
20,covalent,SING,C12,C14,,,,,35823,bmst000228,1
21,covalent,SING,C12,H22,,,,,35823,bmst000228,1
22,covalent,SING,C13,H23,,,,,35823,bmst000228,1
23,covalent,SING,C13,H24,,,,,35823,bmst000228,1
24,covalent,SING,C14,H25,,,,,35823,bmst000228,1
1,covalent,SING,C1,N10,,,,,35833,bmst000229,1
2,covalent,SING,C1,H15,,,,,35833,bmst000229,1
3,covalent,SING,C1,H16,,,,,35833,bmst000229,1
4,covalent,SING,C1,H17,,,,,35833,bmst000229,1
5,covalent,SING,C2,N11,,,,,35833,bmst000229,1
6,covalent,SING,C2,H18,,,,,35833,bmst000229,1
7,covalent,SING,C2,H19,,,,,35833,bmst000229,1
8,covalent,SING,C2,H20,,,,,35833,bmst000229,1
9,covalent,SING,C3,N12,,,,,35833,bmst000229,1
10,covalent,SING,C3,H21,,,,,35833,bmst000229,1
11,covalent,SING,C3,H22,,,,,35833,bmst000229,1
12,covalent,SING,C3,H23,,,,,35833,bmst000229,1
13,covalent,DOUB,C4,N9,,,,,35833,bmst000229,1
14,covalent,SING,C4,N10,,,,,35833,bmst000229,1
15,covalent,SING,C4,H24,,,,,35833,bmst000229,1
16,covalent,DOUB,C5,C6,,,,,35833,bmst000229,1
17,covalent,SING,C5,C7,,,,,35833,bmst000229,1
18,covalent,SING,C5,N10,,,,,35833,bmst000229,1
19,covalent,SING,C6,N9,,,,,35833,bmst000229,1
20,covalent,SING,C6,N11,,,,,35833,bmst000229,1
21,covalent,SING,C7,N12,,,,,35833,bmst000229,1
22,covalent,DOUB,C7,O13,,,,,35833,bmst000229,1
23,covalent,SING,C8,N11,,,,,35833,bmst000229,1
24,covalent,SING,C8,N12,,,,,35833,bmst000229,1
25,covalent,DOUB,C8,O14,,,,,35833,bmst000229,1
1,covalent,SING,P1,O3,,,,,35843,bmst000230,1
2,covalent,SING,P1,O4,,,,,35843,bmst000230,1
3,covalent,SING,P1,O6,,,,,35843,bmst000230,1
4,covalent,DOUB,P1,O16,,,,,35843,bmst000230,1
5,covalent,SING,P2,O3,,,,,35843,bmst000230,1
6,covalent,SING,P2,O5,,,,,35843,bmst000230,1
7,covalent,SING,P2,O7,,,,,35843,bmst000230,1
8,covalent,DOUB,P2,O17,,,,,35843,bmst000230,1
9,covalent,SING,O4,C23,,,,,35843,bmst000230,1
10,covalent,SING,C24,O5,,,,,35843,bmst000230,1
11,covalent,SING,O6,H38,,,,,35843,bmst000230,1
12,covalent,SING,O7,H39,,,,,35843,bmst000230,1
13,covalent,SING,C27,O8,,,,,35843,bmst000230,1
14,covalent,SING,O8,H40,,,,,35843,bmst000230,1
15,covalent,SING,C28,O9,,,,,35843,bmst000230,1
16,covalent,SING,O9,H41,,,,,35843,bmst000230,1
17,covalent,SING,C29,O10,,,,,35843,bmst000230,1
18,covalent,SING,O10,H42,,,,,35843,bmst000230,1
19,covalent,SING,C30,O11,,,,,35843,bmst000230,1
20,covalent,SING,O11,H43,,,,,35843,bmst000230,1
21,covalent,SING,C31,O12,,,,,35843,bmst000230,1
22,covalent,SING,O12,H44,,,,,35843,bmst000230,1
23,covalent,SING,O13,C33,,,,,35843,bmst000230,1
24,covalent,SING,O13,H45,,,,,35843,bmst000230,1
25,covalent,SING,O14,C25,,,,,35843,bmst000230,1
26,covalent,SING,O14,C26,,,,,35843,bmst000230,1
27,covalent,SING,O15,C24,,,,,35843,bmst000230,1
28,covalent,SING,O15,C32,,,,,35843,bmst000230,1
29,covalent,DOUB,O18,C33,,,,,35843,bmst000230,1
30,covalent,DOUB,O19,C34,,,,,35843,bmst000230,1
31,covalent,DOUB,O20,C35,,,,,35843,bmst000230,1
32,covalent,SING,C25,N21,,,,,35843,bmst000230,1
33,covalent,SING,N21,C34,,,,,35843,bmst000230,1
34,covalent,SING,N21,C36,,,,,35843,bmst000230,1
35,covalent,SING,N22,C34,,,,,35843,bmst000230,1
36,covalent,SING,N22,C35,,,,,35843,bmst000230,1
37,covalent,SING,N22,H46,,,,,35843,bmst000230,1
38,covalent,SING,C26,C23,,,,,35843,bmst000230,1
39,covalent,SING,C23,H47,,,,,35843,bmst000230,1
40,covalent,SING,C23,H48,,,,,35843,bmst000230,1
41,covalent,SING,C24,C27,,,,,35843,bmst000230,1
42,covalent,SING,C24,H49,,,,,35843,bmst000230,1
43,covalent,SING,C25,C28,,,,,35843,bmst000230,1
44,covalent,SING,C25,H50,,,,,35843,bmst000230,1
45,covalent,SING,C26,C29,,,,,35843,bmst000230,1
46,covalent,SING,C26,H51,,,,,35843,bmst000230,1
47,covalent,SING,C27,C30,,,,,35843,bmst000230,1
48,covalent,SING,C27,H52,,,,,35843,bmst000230,1
49,covalent,SING,C28,C29,,,,,35843,bmst000230,1
50,covalent,SING,C28,H53,,,,,35843,bmst000230,1
51,covalent,SING,C29,H54,,,,,35843,bmst000230,1
52,covalent,SING,C30,C31,,,,,35843,bmst000230,1
53,covalent,SING,C30,H55,,,,,35843,bmst000230,1
54,covalent,SING,C31,C32,,,,,35843,bmst000230,1
55,covalent,SING,C31,H56,,,,,35843,bmst000230,1
56,covalent,SING,C32,C33,,,,,35843,bmst000230,1
57,covalent,SING,C32,H57,,,,,35843,bmst000230,1
58,covalent,SING,C35,C37,,,,,35843,bmst000230,1
59,covalent,DOUB,C36,C37,,,,,35843,bmst000230,1
60,covalent,SING,C36,H58,,,,,35843,bmst000230,1
61,covalent,SING,C37,H59,,,,,35843,bmst000230,1
1,covalent,SING,P1,O3,,,,,35853,bmst000231,1
2,covalent,SING,P1,O4,,,,,35853,bmst000231,1
3,covalent,SING,P1,O5,,,,,35853,bmst000231,1
4,covalent,DOUB,P1,O10,,,,,35853,bmst000231,1
5,covalent,SING,P2,O3,,,,,35853,bmst000231,1
6,covalent,SING,P2,O6,,,,,35853,bmst000231,1
7,covalent,SING,P2,O7,,,,,35853,bmst000231,1
8,covalent,DOUB,P2,O11,,,,,35853,bmst000231,1
9,covalent,SING,O4,C17,,,,,35853,bmst000231,1
10,covalent,SING,O5,H27,,,,,35853,bmst000231,1
11,covalent,SING,O6,H29,,,,,35853,bmst000231,1
12,covalent,SING,O7,H28,,,,,35853,bmst000231,1
13,covalent,SING,C20,O8,,,,,35853,bmst000231,1
14,covalent,SING,O8,H30,,,,,35853,bmst000231,1
15,covalent,SING,O9,C18,,,,,35853,bmst000231,1
16,covalent,SING,O9,C19,,,,,35853,bmst000231,1
17,covalent,SING,N12,C22,,,,,35853,bmst000231,1
18,covalent,SING,N12,H31,,,,,35853,bmst000231,1
19,covalent,SING,N12,H32,,,,,35853,bmst000231,1
20,covalent,SING,C18,N13,,,,,35853,bmst000231,1
21,covalent,SING,N13,C23,,,,,35853,bmst000231,1
22,covalent,SING,N13,C25,,,,,35853,bmst000231,1
23,covalent,SING,N14,C24,,,,,35853,bmst000231,1
24,covalent,DOUB,N14,C25,,,,,35853,bmst000231,1
25,covalent,SING,N15,C22,,,,,35853,bmst000231,1
26,covalent,DOUB,N15,C26,,,,,35853,bmst000231,1
27,covalent,DOUB,N16,C23,,,,,35853,bmst000231,1
28,covalent,SING,N16,C26,,,,,35853,bmst000231,1
29,covalent,SING,C19,C17,,,,,35853,bmst000231,1
30,covalent,SING,C17,H33,,,,,35853,bmst000231,1
31,covalent,SING,C17,H34,,,,,35853,bmst000231,1
32,covalent,SING,C18,C21,,,,,35853,bmst000231,1
33,covalent,SING,C18,H35,,,,,35853,bmst000231,1
34,covalent,SING,C19,C20,,,,,35853,bmst000231,1
35,covalent,SING,C19,H36,,,,,35853,bmst000231,1
36,covalent,SING,C20,C21,,,,,35853,bmst000231,1
37,covalent,SING,C20,H37,,,,,35853,bmst000231,1
38,covalent,SING,C21,H38,,,,,35853,bmst000231,1
39,covalent,SING,C21,H39,,,,,35853,bmst000231,1
40,covalent,DOUB,C22,C24,,,,,35853,bmst000231,1
41,covalent,SING,C23,C24,,,,,35853,bmst000231,1
42,covalent,SING,C25,H40,,,,,35853,bmst000231,1
43,covalent,SING,C26,H41,,,,,35853,bmst000231,1
1,covalent,SING,P1,O2,,,,,35863,bmst000232,1
2,covalent,SING,P1,O3,,,,,35863,bmst000232,1
3,covalent,SING,P1,O4,,,,,35863,bmst000232,1
4,covalent,DOUB,P1,O7,,,,,35863,bmst000232,1
5,covalent,SING,O2,C12,,,,,35863,bmst000232,1
6,covalent,SING,O3,H22,,,,,35863,bmst000232,1
7,covalent,SING,O4,H23,,,,,35863,bmst000232,1
8,covalent,SING,C16,O5,,,,,35863,bmst000232,1
9,covalent,SING,O5,H24,,,,,35863,bmst000232,1
10,covalent,SING,O6,C14,,,,,35863,bmst000232,1
11,covalent,SING,O6,C15,,,,,35863,bmst000232,1
12,covalent,DOUB,O8,C18,,,,,35863,bmst000232,1
13,covalent,DOUB,O9,C19,,,,,35863,bmst000232,1
14,covalent,SING,C14,N10,,,,,35863,bmst000232,1
15,covalent,SING,N10,C18,,,,,35863,bmst000232,1
16,covalent,SING,N10,C21,,,,,35863,bmst000232,1
17,covalent,SING,N11,C18,,,,,35863,bmst000232,1
18,covalent,SING,N11,C19,,,,,35863,bmst000232,1
19,covalent,SING,N11,H25,,,,,35863,bmst000232,1
20,covalent,SING,C15,C12,,,,,35863,bmst000232,1
21,covalent,SING,C12,H26,,,,,35863,bmst000232,1
22,covalent,SING,C12,H27,,,,,35863,bmst000232,1
23,covalent,SING,C13,C20,,,,,35863,bmst000232,1
24,covalent,SING,C13,H28,,,,,35863,bmst000232,1
25,covalent,SING,C13,H29,,,,,35863,bmst000232,1
26,covalent,SING,C13,H30,,,,,35863,bmst000232,1
27,covalent,SING,C14,C17,,,,,35863,bmst000232,1
28,covalent,SING,C14,H31,,,,,35863,bmst000232,1
29,covalent,SING,C15,C16,,,,,35863,bmst000232,1
30,covalent,SING,C15,H32,,,,,35863,bmst000232,1
31,covalent,SING,C16,C17,,,,,35863,bmst000232,1
32,covalent,SING,C16,H33,,,,,35863,bmst000232,1
33,covalent,SING,C17,H34,,,,,35863,bmst000232,1
34,covalent,SING,C17,H35,,,,,35863,bmst000232,1
35,covalent,SING,C19,C20,,,,,35863,bmst000232,1
36,covalent,DOUB,C20,C21,,,,,35863,bmst000232,1
37,covalent,SING,C21,H36,,,,,35863,bmst000232,1
1,covalent,SING,P1,O2,,,,,35873,bmst000233,1
2,covalent,SING,P1,O3,,,,,35873,bmst000233,1
3,covalent,SING,P1,O4,,,,,35873,bmst000233,1
4,covalent,DOUB,P1,O8,,,,,35873,bmst000233,1
5,covalent,SING,O2,C18,,,,,35873,bmst000233,1
6,covalent,SING,O3,H33,,,,,35873,bmst000233,1
7,covalent,SING,O4,H32,,,,,35873,bmst000233,1
8,covalent,SING,O5,C15,,,,,35873,bmst000233,1
9,covalent,SING,O5,H34,,,,,35873,bmst000233,1
10,covalent,SING,O6,C16,,,,,35873,bmst000233,1
11,covalent,SING,O6,H35,,,,,35873,bmst000233,1
12,covalent,SING,O7,C17,,,,,35873,bmst000233,1
13,covalent,SING,O7,H36,,,,,35873,bmst000233,1
14,covalent,DOUB,O9,C22,,,,,35873,bmst000233,1
15,covalent,DOUB,O10,C24,,,,,35873,bmst000233,1
16,covalent,SING,N11,C19,,,,,35873,bmst000233,1
17,covalent,SING,N11,C23,,,,,35873,bmst000233,1
18,covalent,SING,N11,C26,,,,,35873,bmst000233,1
19,covalent,SING,N12,C22,,,,,35873,bmst000233,1
20,covalent,SING,N12,C24,,,,,35873,bmst000233,1
21,covalent,SING,N12,H37,,,,,35873,bmst000233,1
22,covalent,SING,N13,C22,,,,,35873,bmst000233,1
23,covalent,DOUB,N13,C23,,,,,35873,bmst000233,1
24,covalent,DOUB,N14,C25,,,,,35873,bmst000233,1
25,covalent,SING,N14,C27,,,,,35873,bmst000233,1
26,covalent,SING,C15,C16,,,,,35873,bmst000233,1
27,covalent,SING,C15,C17,,,,,35873,bmst000233,1
28,covalent,SING,C15,H38,,,,,35873,bmst000233,1
29,covalent,SING,C16,C18,,,,,35873,bmst000233,1
30,covalent,SING,C16,H39,,,,,35873,bmst000233,1
31,covalent,SING,C17,C19,,,,,35873,bmst000233,1
32,covalent,SING,C17,H40,,,,,35873,bmst000233,1
33,covalent,SING,C18,H41,,,,,35873,bmst000233,1
34,covalent,SING,C18,H42,,,,,35873,bmst000233,1
35,covalent,SING,C19,H43,,,,,35873,bmst000233,1
36,covalent,SING,C19,H44,,,,,35873,bmst000233,1
37,covalent,SING,C20,C28,,,,,35873,bmst000233,1
38,covalent,SING,C20,H45,,,,,35873,bmst000233,1
39,covalent,SING,C20,H46,,,,,35873,bmst000233,1
40,covalent,SING,C20,H47,,,,,35873,bmst000233,1
41,covalent,SING,C21,C29,,,,,35873,bmst000233,1
42,covalent,SING,C21,H48,,,,,35873,bmst000233,1
43,covalent,SING,C21,H49,,,,,35873,bmst000233,1
44,covalent,SING,C21,H50,,,,,35873,bmst000233,1
45,covalent,SING,C23,C25,,,,,35873,bmst000233,1
46,covalent,SING,C24,C25,,,,,35873,bmst000233,1
47,covalent,DOUB,C26,C27,,,,,35873,bmst000233,1
48,covalent,SING,C26,C30,,,,,35873,bmst000233,1
49,covalent,SING,C27,C31,,,,,35873,bmst000233,1
50,covalent,SING,C28,C29,,,,,35873,bmst000233,1
51,covalent,DOUB,C28,C30,,,,,35873,bmst000233,1
52,covalent,DOUB,C29,C31,,,,,35873,bmst000233,1
53,covalent,SING,C30,H51,,,,,35873,bmst000233,1
54,covalent,SING,C31,H52,,,,,35873,bmst000233,1
1,covalent,SING,P1,O3,,,,,35883,bmst000234,1
2,covalent,SING,P1,O4,,,,,35883,bmst000234,1
3,covalent,SING,P1,O5,,,,,35883,bmst000234,1
4,covalent,DOUB,P1,O11,,,,,35883,bmst000234,1
5,covalent,SING,P2,O3,,,,,35883,bmst000234,1
6,covalent,SING,P2,O6,,,,,35883,bmst000234,1
7,covalent,SING,P2,O7,,,,,35883,bmst000234,1
8,covalent,DOUB,P2,O12,,,,,35883,bmst000234,1
9,covalent,SING,O4,C17,,,,,35883,bmst000234,1
10,covalent,SING,O5,H26,,,,,35883,bmst000234,1
11,covalent,SING,O6,H27,,,,,35883,bmst000234,1
12,covalent,SING,O7,H28,,,,,35883,bmst000234,1
13,covalent,SING,C20,O8,,,,,35883,bmst000234,1
14,covalent,SING,O8,H29,,,,,35883,bmst000234,1
15,covalent,SING,C21,O9,,,,,35883,bmst000234,1
16,covalent,SING,O9,H30,,,,,35883,bmst000234,1
17,covalent,SING,O10,C18,,,,,35883,bmst000234,1
18,covalent,SING,O10,C19,,,,,35883,bmst000234,1
19,covalent,DOUB,O13,C22,,,,,35883,bmst000234,1
20,covalent,DOUB,O14,C23,,,,,35883,bmst000234,1
21,covalent,SING,C18,N15,,,,,35883,bmst000234,1
22,covalent,SING,N15,C22,,,,,35883,bmst000234,1
23,covalent,SING,N15,C24,,,,,35883,bmst000234,1
24,covalent,SING,N16,C22,,,,,35883,bmst000234,1
25,covalent,SING,N16,C23,,,,,35883,bmst000234,1
26,covalent,SING,N16,H31,,,,,35883,bmst000234,1
27,covalent,SING,C19,C17,,,,,35883,bmst000234,1
28,covalent,SING,C17,H32,,,,,35883,bmst000234,1
29,covalent,SING,C17,H33,,,,,35883,bmst000234,1
30,covalent,SING,C18,C20,,,,,35883,bmst000234,1
31,covalent,SING,C18,H34,,,,,35883,bmst000234,1
32,covalent,SING,C19,C21,,,,,35883,bmst000234,1
33,covalent,SING,C19,H35,,,,,35883,bmst000234,1
34,covalent,SING,C20,C21,,,,,35883,bmst000234,1
35,covalent,SING,C20,H36,,,,,35883,bmst000234,1
36,covalent,SING,C21,H37,,,,,35883,bmst000234,1
37,covalent,SING,C23,C25,,,,,35883,bmst000234,1
38,covalent,DOUB,C24,C25,,,,,35883,bmst000234,1
39,covalent,SING,C24,H38,,,,,35883,bmst000234,1
40,covalent,SING,C25,H39,,,,,35883,bmst000234,1
1,covalent,SING,P1,O2,,,,,35893,bmst000235,1
2,covalent,SING,P1,O3,,,,,35893,bmst000235,1
3,covalent,SING,P1,O4,,,,,35893,bmst000235,1
4,covalent,DOUB,P1,O7,,,,,35893,bmst000235,1
5,covalent,SING,O2,C13,,,,,35893,bmst000235,1
6,covalent,SING,O3,H24,,,,,35893,bmst000235,1
7,covalent,SING,O4,H23,,,,,35893,bmst000235,1
8,covalent,SING,C16,O5,,,,,35893,bmst000235,1
9,covalent,SING,O5,H25,,,,,35893,bmst000235,1
10,covalent,SING,O6,C14,,,,,35893,bmst000235,1
11,covalent,SING,O6,C15,,,,,35893,bmst000235,1
12,covalent,SING,N8,C18,,,,,35893,bmst000235,1
13,covalent,SING,N8,H26,,,,,35893,bmst000235,1
14,covalent,SING,N8,H27,,,,,35893,bmst000235,1
15,covalent,SING,C14,N9,,,,,35893,bmst000235,1
16,covalent,SING,N9,C19,,,,,35893,bmst000235,1
17,covalent,SING,N9,C21,,,,,35893,bmst000235,1
18,covalent,SING,N10,C20,,,,,35893,bmst000235,1
19,covalent,DOUB,N10,C21,,,,,35893,bmst000235,1
20,covalent,SING,N11,C18,,,,,35893,bmst000235,1
21,covalent,DOUB,N11,C22,,,,,35893,bmst000235,1
22,covalent,DOUB,N12,C19,,,,,35893,bmst000235,1
23,covalent,SING,N12,C22,,,,,35893,bmst000235,1
24,covalent,SING,C15,C13,,,,,35893,bmst000235,1
25,covalent,SING,C13,H28,,,,,35893,bmst000235,1
26,covalent,SING,C13,H29,,,,,35893,bmst000235,1
27,covalent,SING,C14,C17,,,,,35893,bmst000235,1
28,covalent,SING,C14,H30,,,,,35893,bmst000235,1
29,covalent,SING,C15,C16,,,,,35893,bmst000235,1
30,covalent,SING,C15,H31,,,,,35893,bmst000235,1
31,covalent,SING,C16,C17,,,,,35893,bmst000235,1
32,covalent,SING,C16,H32,,,,,35893,bmst000235,1
33,covalent,SING,C17,H33,,,,,35893,bmst000235,1
34,covalent,SING,C17,H34,,,,,35893,bmst000235,1
35,covalent,DOUB,C18,C20,,,,,35893,bmst000235,1
36,covalent,SING,C19,C20,,,,,35893,bmst000235,1
37,covalent,SING,C21,H35,,,,,35893,bmst000235,1
38,covalent,SING,C22,H36,,,,,35893,bmst000235,1
1,covalent,SING,H1,C13,,,,,35903,bmst000236,1
2,covalent,SING,H2,C14,,,,,35903,bmst000236,1
3,covalent,SING,H3,C17,,,,,35903,bmst000236,1
4,covalent,SING,H4,C18,,,,,35903,bmst000236,1
5,covalent,SING,H5,C19,,,,,35903,bmst000236,1
6,covalent,SING,H6,C20,,,,,35903,bmst000236,1
7,covalent,SING,H7,C21,,,,,35903,bmst000236,1
8,covalent,SING,H8,C21,,,,,35903,bmst000236,1
9,covalent,SING,H9,N22,,,,,35903,bmst000236,1
10,covalent,SING,H10,O27,,,,,35903,bmst000236,1
11,covalent,SING,H11,O28,,,,,35903,bmst000236,1
12,covalent,SING,H12,O29,,,,,35903,bmst000236,1
13,covalent,DOUB,C13,C14,,,,,35903,bmst000236,1
14,covalent,SING,C13,C15,,,,,35903,bmst000236,1
15,covalent,SING,C14,N23,,,,,35903,bmst000236,1
16,covalent,SING,C15,N22,,,,,35903,bmst000236,1
17,covalent,DOUB,C15,O24,,,,,35903,bmst000236,1
18,covalent,SING,C16,N22,,,,,35903,bmst000236,1
19,covalent,SING,C16,N23,,,,,35903,bmst000236,1
20,covalent,DOUB,C16,O25,,,,,35903,bmst000236,1
21,covalent,SING,C17,C18,,,,,35903,bmst000236,1
22,covalent,SING,C17,C19,,,,,35903,bmst000236,1
23,covalent,SING,C17,O27,,,,,35903,bmst000236,1
24,covalent,SING,C18,C20,,,,,35903,bmst000236,1
25,covalent,SING,C18,O28,,,,,35903,bmst000236,1
26,covalent,SING,C19,C21,,,,,35903,bmst000236,1
27,covalent,SING,C19,O26,,,,,35903,bmst000236,1
28,covalent,SING,C20,N23,,,,,35903,bmst000236,1
29,covalent,SING,C20,O26,,,,,35903,bmst000236,1
30,covalent,SING,C21,O29,,,,,35903,bmst000236,1
1,covalent,DOUB,C1,C2,,,,,35913,bmst000237,1
2,covalent,SING,C1,C4,,,,,35913,bmst000237,1
3,covalent,SING,C1,H18,,,,,35913,bmst000237,1
4,covalent,SING,C2,N12,,,,,35913,bmst000237,1
5,covalent,SING,C2,H19,,,,,35913,bmst000237,1
6,covalent,SING,C6,C3,,,,,35913,bmst000237,1
7,covalent,SING,C3,O13,,,,,35913,bmst000237,1
8,covalent,SING,C3,H20,,,,,35913,bmst000237,1
9,covalent,SING,C3,H21,,,,,35913,bmst000237,1
10,covalent,SING,C4,N10,,,,,35913,bmst000237,1
11,covalent,DOUB,C4,N11,,,,,35913,bmst000237,1
12,covalent,SING,C5,N11,,,,,35913,bmst000237,1
13,covalent,SING,C5,N12,,,,,35913,bmst000237,1
14,covalent,DOUB,C5,O16,,,,,35913,bmst000237,1
15,covalent,SING,C6,C7,,,,,35913,bmst000237,1
16,covalent,SING,C6,O17,,,,,35913,bmst000237,1
17,covalent,SING,C6,H22,,,,,35913,bmst000237,1
18,covalent,SING,C7,C8,,,,,35913,bmst000237,1
19,covalent,SING,C7,O14,,,,,35913,bmst000237,1
20,covalent,SING,C7,H23,,,,,35913,bmst000237,1
21,covalent,SING,C8,C9,,,,,35913,bmst000237,1
22,covalent,SING,C8,O15,,,,,35913,bmst000237,1
23,covalent,SING,C8,H24,,,,,35913,bmst000237,1
24,covalent,SING,C9,N12,,,,,35913,bmst000237,1
25,covalent,SING,C9,O17,,,,,35913,bmst000237,1
26,covalent,SING,C9,H25,,,,,35913,bmst000237,1
27,covalent,SING,N10,H26,,,,,35913,bmst000237,1
28,covalent,SING,N10,H27,,,,,35913,bmst000237,1
29,covalent,SING,O13,H28,,,,,35913,bmst000237,1
30,covalent,SING,O14,H29,,,,,35913,bmst000237,1
31,covalent,SING,O15,H30,,,,,35913,bmst000237,1
1,covalent,DOUB,O1,C5,,,,,35923,bmst000238,1
2,covalent,DOUB,O2,C6,,,,,35923,bmst000238,1
3,covalent,SING,N3,C5,,,,,35923,bmst000238,1
4,covalent,SING,N3,C6,,,,,35923,bmst000238,1
5,covalent,SING,N3,H9,,,,,35923,bmst000238,1
6,covalent,SING,N4,C5,,,,,35923,bmst000238,1
7,covalent,SING,N4,C7,,,,,35923,bmst000238,1
8,covalent,SING,N4,H10,,,,,35923,bmst000238,1
9,covalent,SING,C6,C8,,,,,35923,bmst000238,1
10,covalent,DOUB,C7,C8,,,,,35923,bmst000238,1
11,covalent,SING,C7,H11,,,,,35923,bmst000238,1
12,covalent,SING,C8,H12,,,,,35923,bmst000238,1
1,covalent,SING,P1,O4,,,,,35933,bmst000239,1
2,covalent,SING,P1,O5,,,,,35933,bmst000239,1
3,covalent,SING,P1,O7,,,,,35933,bmst000239,1
4,covalent,DOUB,P1,O14,,,,,35933,bmst000239,1
5,covalent,SING,P2,O4,,,,,35933,bmst000239,1
6,covalent,SING,P2,O6,,,,,35933,bmst000239,1
7,covalent,SING,P2,O8,,,,,35933,bmst000239,1
8,covalent,DOUB,P2,O15,,,,,35933,bmst000239,1
9,covalent,SING,P3,O5,,,,,35933,bmst000239,1
10,covalent,SING,P3,O9,,,,,35933,bmst000239,1
11,covalent,SING,P3,O10,,,,,35933,bmst000239,1
12,covalent,DOUB,P3,O16,,,,,35933,bmst000239,1
13,covalent,SING,O6,C21,,,,,35933,bmst000239,1
14,covalent,SING,O7,H30,,,,,35933,bmst000239,1
15,covalent,SING,O8,H31,,,,,35933,bmst000239,1
16,covalent,SING,O9,H33,,,,,35933,bmst000239,1
17,covalent,SING,O10,H32,,,,,35933,bmst000239,1
18,covalent,SING,C24,O11,,,,,35933,bmst000239,1
19,covalent,SING,O11,H34,,,,,35933,bmst000239,1
20,covalent,SING,C25,O12,,,,,35933,bmst000239,1
21,covalent,SING,O12,H35,,,,,35933,bmst000239,1
22,covalent,SING,O13,C22,,,,,35933,bmst000239,1
23,covalent,SING,O13,C23,,,,,35933,bmst000239,1
24,covalent,DOUB,O17,C26,,,,,35933,bmst000239,1
25,covalent,DOUB,O18,C27,,,,,35933,bmst000239,1
26,covalent,SING,C22,N19,,,,,35933,bmst000239,1
27,covalent,SING,N19,C26,,,,,35933,bmst000239,1
28,covalent,SING,N19,C28,,,,,35933,bmst000239,1
29,covalent,SING,N20,C26,,,,,35933,bmst000239,1
30,covalent,SING,N20,C27,,,,,35933,bmst000239,1
31,covalent,SING,N20,H36,,,,,35933,bmst000239,1
32,covalent,SING,C23,C21,,,,,35933,bmst000239,1
33,covalent,SING,C21,H37,,,,,35933,bmst000239,1
34,covalent,SING,C21,H38,,,,,35933,bmst000239,1
35,covalent,SING,C22,C24,,,,,35933,bmst000239,1
36,covalent,SING,C22,H39,,,,,35933,bmst000239,1
37,covalent,SING,C23,C25,,,,,35933,bmst000239,1
38,covalent,SING,C23,H40,,,,,35933,bmst000239,1
39,covalent,SING,C24,C25,,,,,35933,bmst000239,1
40,covalent,SING,C24,H41,,,,,35933,bmst000239,1
41,covalent,SING,C25,H42,,,,,35933,bmst000239,1
42,covalent,SING,C27,C29,,,,,35933,bmst000239,1
43,covalent,DOUB,C28,C29,,,,,35933,bmst000239,1
44,covalent,SING,C28,H43,,,,,35933,bmst000239,1
45,covalent,SING,C29,H44,,,,,35933,bmst000239,1
1,covalent,SING,C1,C17,,,,,35943,bmst000241,1
2,covalent,SING,C1,H40,,,,,35943,bmst000241,1
3,covalent,SING,C1,H41,,,,,35943,bmst000241,1
4,covalent,SING,C1,H42,,,,,35943,bmst000241,1
5,covalent,DOUB,C2,C3,,,,,35943,bmst000241,1
6,covalent,SING,C2,C6,,,,,35943,bmst000241,1
7,covalent,SING,C2,H43,,,,,35943,bmst000241,1
8,covalent,SING,C3,N20,,,,,35943,bmst000241,1
9,covalent,SING,C3,H44,,,,,35943,bmst000241,1
10,covalent,SING,C8,C4,,,,,35943,bmst000241,1
11,covalent,SING,C4,O21,,,,,35943,bmst000241,1
12,covalent,SING,C4,H45,,,,,35943,bmst000241,1
13,covalent,SING,C4,H46,,,,,35943,bmst000241,1
14,covalent,SING,C9,C5,,,,,35943,bmst000241,1
15,covalent,SING,C5,O35,,,,,35943,bmst000241,1
16,covalent,SING,C5,H47,,,,,35943,bmst000241,1
17,covalent,SING,C5,H48,,,,,35943,bmst000241,1
18,covalent,SING,C6,N18,,,,,35943,bmst000241,1
19,covalent,DOUB,C6,O28,,,,,35943,bmst000241,1
20,covalent,SING,C7,N18,,,,,35943,bmst000241,1
21,covalent,SING,C7,N20,,,,,35943,bmst000241,1
22,covalent,DOUB,C7,O29,,,,,35943,bmst000241,1
23,covalent,SING,C8,C11,,,,,35943,bmst000241,1
24,covalent,SING,C8,O33,,,,,35943,bmst000241,1
25,covalent,SING,C8,H49,,,,,35943,bmst000241,1
26,covalent,SING,C9,C12,,,,,35943,bmst000241,1
27,covalent,SING,C9,O34,,,,,35943,bmst000241,1
28,covalent,SING,C9,H50,,,,,35943,bmst000241,1
29,covalent,SING,C10,C13,,,,,35943,bmst000241,1
30,covalent,SING,C10,C16,,,,,35943,bmst000241,1
31,covalent,SING,C10,N19,,,,,35943,bmst000241,1
32,covalent,SING,C10,H51,,,,,35943,bmst000241,1
33,covalent,SING,C11,C13,,,,,35943,bmst000241,1
34,covalent,SING,C11,O22,,,,,35943,bmst000241,1
35,covalent,SING,C11,H52,,,,,35943,bmst000241,1
36,covalent,SING,C12,C14,,,,,35943,bmst000241,1
37,covalent,SING,C12,O23,,,,,35943,bmst000241,1
38,covalent,SING,C12,H53,,,,,35943,bmst000241,1
39,covalent,SING,C13,O24,,,,,35943,bmst000241,1
40,covalent,SING,C13,H54,,,,,35943,bmst000241,1
41,covalent,SING,C14,C15,,,,,35943,bmst000241,1
42,covalent,SING,C14,O25,,,,,35943,bmst000241,1
43,covalent,SING,C14,H55,,,,,35943,bmst000241,1
44,covalent,SING,C15,N20,,,,,35943,bmst000241,1
45,covalent,SING,C15,O34,,,,,35943,bmst000241,1
46,covalent,SING,C15,H56,,,,,35943,bmst000241,1
47,covalent,SING,C16,O33,,,,,35943,bmst000241,1
48,covalent,SING,C16,O36,,,,,35943,bmst000241,1
49,covalent,SING,C16,H57,,,,,35943,bmst000241,1
50,covalent,SING,C17,N19,,,,,35943,bmst000241,1
51,covalent,DOUB,C17,O30,,,,,35943,bmst000241,1
52,covalent,SING,N18,H58,,,,,35943,bmst000241,1
53,covalent,SING,N19,H59,,,,,35943,bmst000241,1
54,covalent,SING,O21,H60,,,,,35943,bmst000241,1
55,covalent,SING,O22,H61,,,,,35943,bmst000241,1
56,covalent,SING,O23,H62,,,,,35943,bmst000241,1
57,covalent,SING,O24,H63,,,,,35943,bmst000241,1
58,covalent,SING,O25,H64,,,,,35943,bmst000241,1
59,covalent,SING,O26,P38,,,,,35943,bmst000241,1
60,covalent,SING,O26,H65,,,,,35943,bmst000241,1
61,covalent,SING,O27,P39,,,,,35943,bmst000241,1
62,covalent,SING,O27,H66,,,,,35943,bmst000241,1
63,covalent,DOUB,O31,P38,,,,,35943,bmst000241,1
64,covalent,DOUB,O32,P39,,,,,35943,bmst000241,1
65,covalent,SING,O35,P38,,,,,35943,bmst000241,1
66,covalent,SING,O36,P39,,,,,35943,bmst000241,1
67,covalent,SING,O37,P38,,,,,35943,bmst000241,1
68,covalent,SING,O37,P39,,,,,35943,bmst000241,1
1,covalent,SING,S1,C14,,,,,35953,bmst000242,1
2,covalent,SING,S1,C17,,,,,35953,bmst000242,1
3,covalent,SING,O2,C7,,,,,35953,bmst000242,1
4,covalent,SING,O2,H19,,,,,35953,bmst000242,1
5,covalent,SING,N3,C13,,,,,35953,bmst000242,1
6,covalent,SING,N3,H20,,,,,35953,bmst000242,1
7,covalent,SING,N3,H21,,,,,35953,bmst000242,1
8,covalent,SING,N4,C9,,,,,35953,bmst000242,1
9,covalent,SING,N4,C15,,,,,35953,bmst000242,1
10,covalent,DOUB,N4,C17,,,,,35953,bmst000242,1
11,covalent,SING,N5,C12,,,,,35953,bmst000242,1
12,covalent,DOUB,N5,C13,,,,,35953,bmst000242,1
13,covalent,DOUB,N6,C12,,,,,35953,bmst000242,1
14,covalent,SING,N6,C18,,,,,35953,bmst000242,1
15,covalent,SING,C7,C8,,,,,35953,bmst000242,1
16,covalent,SING,C7,H22,,,,,35953,bmst000242,1
17,covalent,SING,C7,H23,,,,,35953,bmst000242,1
18,covalent,SING,C8,C14,,,,,35953,bmst000242,1
19,covalent,SING,C8,H24,,,,,35953,bmst000242,1
20,covalent,SING,C8,H25,,,,,35953,bmst000242,1
21,covalent,SING,C9,C16,,,,,35953,bmst000242,1
22,covalent,SING,C9,H26,,,,,35953,bmst000242,1
23,covalent,SING,C9,H27,,,,,35953,bmst000242,1
24,covalent,SING,C10,C12,,,,,35953,bmst000242,1
25,covalent,SING,C10,H28,,,,,35953,bmst000242,1
26,covalent,SING,C10,H29,,,,,35953,bmst000242,1
27,covalent,SING,C10,H30,,,,,35953,bmst000242,1
28,covalent,SING,C11,C15,,,,,35953,bmst000242,1
29,covalent,SING,C11,H31,,,,,35953,bmst000242,1
30,covalent,SING,C11,H32,,,,,35953,bmst000242,1
31,covalent,SING,C11,H33,,,,,35953,bmst000242,1
32,covalent,SING,C13,C16,,,,,35953,bmst000242,1
33,covalent,DOUB,C14,C15,,,,,35953,bmst000242,1
34,covalent,DOUB,C16,C18,,,,,35953,bmst000242,1
35,covalent,SING,C17,H34,,,,,35953,bmst000242,1
36,covalent,SING,C18,H35,,,,,35953,bmst000242,1
1,covalent,DOUB,O1,C5,,,,,35963,bmst000243,1
2,covalent,SING,N2,C6,,,,,35963,bmst000243,1
3,covalent,SING,N2,H9,,,,,35963,bmst000243,1
4,covalent,SING,N2,H10,,,,,35963,bmst000243,1
5,covalent,SING,N3,C5,,,,,35963,bmst000243,1
6,covalent,SING,N3,C6,,,,,35963,bmst000243,1
7,covalent,SING,N3,H11,,,,,35963,bmst000243,1
8,covalent,SING,N4,C5,,,,,35963,bmst000243,1
9,covalent,DOUB,N4,C7,,,,,35963,bmst000243,1
10,covalent,DOUB,C6,C8,,,,,35963,bmst000243,1
11,covalent,SING,C7,C8,,,,,35963,bmst000243,1
12,covalent,SING,C7,H12,,,,,35963,bmst000243,1
13,covalent,SING,C8,H13,,,,,35963,bmst000243,1
1,covalent,SING,P1,O2,,,,,35973,bmst000244,1
2,covalent,SING,P1,O3,,,,,35973,bmst000244,1
3,covalent,SING,P1,O4,,,,,35973,bmst000244,1
4,covalent,DOUB,P1,O8,,,,,35973,bmst000244,1
5,covalent,SING,O2,C13,,,,,35973,bmst000244,1
6,covalent,SING,O3,H23,,,,,35973,bmst000244,1
7,covalent,SING,O4,H22,,,,,35973,bmst000244,1
8,covalent,SING,C16,O5,,,,,35973,bmst000244,1
9,covalent,SING,O5,H24,,,,,35973,bmst000244,1
10,covalent,SING,C17,O6,,,,,35973,bmst000244,1
11,covalent,SING,O6,H25,,,,,35973,bmst000244,1
12,covalent,SING,O7,C14,,,,,35973,bmst000244,1
13,covalent,SING,O7,C15,,,,,35973,bmst000244,1
14,covalent,DOUB,O9,C18,,,,,35973,bmst000244,1
15,covalent,DOUB,O10,C19,,,,,35973,bmst000244,1
16,covalent,SING,C14,N11,,,,,35973,bmst000244,1
17,covalent,SING,N11,C18,,,,,35973,bmst000244,1
18,covalent,SING,N11,C20,,,,,35973,bmst000244,1
19,covalent,SING,N12,C18,,,,,35973,bmst000244,1
20,covalent,SING,N12,C19,,,,,35973,bmst000244,1
21,covalent,SING,N12,H26,,,,,35973,bmst000244,1
22,covalent,SING,C15,C13,,,,,35973,bmst000244,1
23,covalent,SING,C13,H27,,,,,35973,bmst000244,1
24,covalent,SING,C13,H28,,,,,35973,bmst000244,1
25,covalent,SING,C14,C16,,,,,35973,bmst000244,1
26,covalent,SING,C14,H29,,,,,35973,bmst000244,1
27,covalent,SING,C15,C17,,,,,35973,bmst000244,1
28,covalent,SING,C15,H30,,,,,35973,bmst000244,1
29,covalent,SING,C16,C17,,,,,35973,bmst000244,1
30,covalent,SING,C16,H31,,,,,35973,bmst000244,1
31,covalent,SING,C17,H32,,,,,35973,bmst000244,1
32,covalent,SING,C19,C21,,,,,35973,bmst000244,1
33,covalent,DOUB,C20,C21,,,,,35973,bmst000244,1
34,covalent,SING,C20,H33,,,,,35973,bmst000244,1
35,covalent,SING,C21,H34,,,,,35973,bmst000244,1
1,covalent,SING,C1,N11,,,,,35983,bmst000245,1
2,covalent,DOUB,C1,N12,,,,,35983,bmst000245,1
3,covalent,SING,C1,H24,,,,,35983,bmst000245,1
4,covalent,DOUB,C2,N13,,,,,35983,bmst000245,1
5,covalent,SING,C2,N14,,,,,35983,bmst000245,1
6,covalent,SING,C2,H25,,,,,35983,bmst000245,1
7,covalent,SING,C7,C3,,,,,35983,bmst000245,1
8,covalent,SING,C3,O22,,,,,35983,bmst000245,1
9,covalent,SING,C3,H26,,,,,35983,bmst000245,1
10,covalent,SING,C3,H27,,,,,35983,bmst000245,1
11,covalent,DOUB,C4,C5,,,,,35983,bmst000245,1
12,covalent,SING,C4,C6,,,,,35983,bmst000245,1
13,covalent,SING,C4,N13,,,,,35983,bmst000245,1
14,covalent,SING,C5,N11,,,,,35983,bmst000245,1
15,covalent,SING,C5,N14,,,,,35983,bmst000245,1
16,covalent,SING,C6,N12,,,,,35983,bmst000245,1
17,covalent,DOUB,C6,O19,,,,,35983,bmst000245,1
18,covalent,SING,C7,C8,,,,,35983,bmst000245,1
19,covalent,SING,C7,O21,,,,,35983,bmst000245,1
20,covalent,SING,C7,H28,,,,,35983,bmst000245,1
21,covalent,SING,C8,C9,,,,,35983,bmst000245,1
22,covalent,SING,C8,O15,,,,,35983,bmst000245,1
23,covalent,SING,C8,H29,,,,,35983,bmst000245,1
24,covalent,SING,C9,C10,,,,,35983,bmst000245,1
25,covalent,SING,C9,O16,,,,,35983,bmst000245,1
26,covalent,SING,C9,H30,,,,,35983,bmst000245,1
27,covalent,SING,C10,N14,,,,,35983,bmst000245,1
28,covalent,SING,C10,O21,,,,,35983,bmst000245,1
29,covalent,SING,C10,H31,,,,,35983,bmst000245,1
30,covalent,SING,N11,H32,,,,,35983,bmst000245,1
31,covalent,SING,O15,H33,,,,,35983,bmst000245,1
32,covalent,SING,O16,H34,,,,,35983,bmst000245,1
33,covalent,SING,O17,P23,,,,,35983,bmst000245,1
34,covalent,SING,O17,H35,,,,,35983,bmst000245,1
35,covalent,SING,O18,P23,,,,,35983,bmst000245,1
36,covalent,SING,O18,H36,,,,,35983,bmst000245,1
37,covalent,DOUB,O20,P23,,,,,35983,bmst000245,1
38,covalent,SING,O22,P23,,,,,35983,bmst000245,1
1,covalent,SING,C1,C2,,,,,35993,bmst000246,1
2,covalent,SING,C1,C6,,,,,35993,bmst000246,1
3,covalent,SING,C1,O9,,,,,35993,bmst000246,1
4,covalent,SING,C1,H14,,,,,35993,bmst000246,1
5,covalent,SING,C2,C3,,,,,35993,bmst000246,1
6,covalent,SING,C2,O11,,,,,35993,bmst000246,1
7,covalent,SING,C2,H15,,,,,35993,bmst000246,1
8,covalent,SING,C3,O4,,,,,35993,bmst000246,1
9,covalent,SING,C3,O13,,,,,35993,bmst000246,1
10,covalent,SING,C3,H16,,,,,35993,bmst000246,1
11,covalent,SING,O4,C5,,,,,35993,bmst000246,1
12,covalent,SING,C5,C6,,,,,35993,bmst000246,1
13,covalent,SING,C5,C7,,,,,35993,bmst000246,1
14,covalent,SING,C5,H17,,,,,35993,bmst000246,1
15,covalent,SING,C6,O10,,,,,35993,bmst000246,1
16,covalent,SING,C6,H18,,,,,35993,bmst000246,1
17,covalent,SING,C7,O8,,,,,35993,bmst000246,1
18,covalent,DOUB,C7,O12,,,,,35993,bmst000246,1
19,covalent,SING,O8,H19,,,,,35993,bmst000246,1
20,covalent,SING,O9,H20,,,,,35993,bmst000246,1
21,covalent,SING,O10,H21,,,,,35993,bmst000246,1
22,covalent,SING,O11,H22,,,,,35993,bmst000246,1
23,covalent,SING,O13,H23,,,,,35993,bmst000246,1
1,covalent,SING,C1,C2,,,,,36003,bmst000247,1
2,covalent,SING,C1,C6,,,,,36003,bmst000247,1
3,covalent,SING,C1,O9,,,,,36003,bmst000247,1
4,covalent,SING,C1,H14,,,,,36003,bmst000247,1
5,covalent,SING,C2,C3,,,,,36003,bmst000247,1
6,covalent,SING,C2,O11,,,,,36003,bmst000247,1
7,covalent,SING,C2,H15,,,,,36003,bmst000247,1
8,covalent,SING,C3,O4,,,,,36003,bmst000247,1
9,covalent,SING,C3,O13,,,,,36003,bmst000247,1
10,covalent,SING,C3,H16,,,,,36003,bmst000247,1
11,covalent,SING,O4,C5,,,,,36003,bmst000247,1
12,covalent,SING,C5,C6,,,,,36003,bmst000247,1
13,covalent,SING,C5,C7,,,,,36003,bmst000247,1
14,covalent,SING,C5,H17,,,,,36003,bmst000247,1
15,covalent,SING,C6,O10,,,,,36003,bmst000247,1
16,covalent,SING,C6,H18,,,,,36003,bmst000247,1
17,covalent,SING,C7,O8,,,,,36003,bmst000247,1
18,covalent,DOUB,C7,O12,,,,,36003,bmst000247,1
19,covalent,SING,O8,H19,,,,,36003,bmst000247,1
20,covalent,SING,O9,H20,,,,,36003,bmst000247,1
21,covalent,SING,O10,H21,,,,,36003,bmst000247,1
22,covalent,SING,O11,H22,,,,,36003,bmst000247,1
23,covalent,SING,O13,H23,,,,,36003,bmst000247,1
1,covalent,SING,C2,N1,,,,,36013,bmst000248,1
2,covalent,SING,N1,H9,,,,,36013,bmst000248,1
3,covalent,SING,N1,H10,,,,,36013,bmst000248,1
4,covalent,SING,C2,C3,,,,,36013,bmst000248,1
5,covalent,SING,C2,C5,,,,,36013,bmst000248,1
6,covalent,SING,C2,H11,,,,,36013,bmst000248,1
7,covalent,DOUB,C3,O4,,,,,36013,bmst000248,1
8,covalent,SING,C3,O8,,,,,36013,bmst000248,1
9,covalent,SING,C5,C6,,,,,36013,bmst000248,1
10,covalent,SING,C5,C7,,,,,36013,bmst000248,1
11,covalent,SING,C5,H12,,,,,36013,bmst000248,1
12,covalent,SING,C6,H13,,,,,36013,bmst000248,1
13,covalent,SING,C6,H14,,,,,36013,bmst000248,1
14,covalent,SING,C6,H15,,,,,36013,bmst000248,1
15,covalent,SING,C7,H16,,,,,36013,bmst000248,1
16,covalent,SING,C7,H17,,,,,36013,bmst000248,1
17,covalent,SING,C7,H18,,,,,36013,bmst000248,1
18,covalent,SING,O8,H19,,,,,36013,bmst000248,1
1,covalent,DOUB,C1,C3,,,,,36023,bmst000249,1
2,covalent,SING,C1,C6,,,,,36023,bmst000249,1
3,covalent,SING,C1,H14,,,,,36023,bmst000249,1
4,covalent,SING,C2,C4,,,,,36023,bmst000249,1
5,covalent,DOUB,C2,C6,,,,,36023,bmst000249,1
6,covalent,SING,C2,H15,,,,,36023,bmst000249,1
7,covalent,SING,C3,C7,,,,,36023,bmst000249,1
8,covalent,SING,C3,H16,,,,,36023,bmst000249,1
9,covalent,DOUB,C4,C7,,,,,36023,bmst000249,1
10,covalent,SING,C4,H17,,,,,36023,bmst000249,1
11,covalent,SING,C5,C6,,,,,36023,bmst000249,1
12,covalent,SING,C5,C8,,,,,36023,bmst000249,1
13,covalent,SING,C5,H18,,,,,36023,bmst000249,1
14,covalent,SING,C5,H19,,,,,36023,bmst000249,1
15,covalent,SING,C7,O11,,,,,36023,bmst000249,1
16,covalent,SING,C8,C9,,,,,36023,bmst000249,1
17,covalent,SING,C8,N10,,,,,36023,bmst000249,1
18,covalent,SING,C8,H20,,,,,36023,bmst000249,1
19,covalent,SING,C9,O12,,,,,36023,bmst000249,1
20,covalent,DOUB,C9,O13,,,,,36023,bmst000249,1
21,covalent,SING,N10,H21,,,,,36023,bmst000249,1
22,covalent,SING,N10,H22,,,,,36023,bmst000249,1
23,covalent,SING,O11,H23,,,,,36023,bmst000249,1
24,covalent,SING,O12,H24,,,,,36023,bmst000249,1
1,covalent,DOUB,C1,C2,,,,,36033,bmst000250,1
2,covalent,SING,C1,C3,,,,,36033,bmst000250,1
3,covalent,SING,C1,H16,,,,,36033,bmst000250,1
4,covalent,SING,C2,C4,,,,,36033,bmst000250,1
5,covalent,SING,C2,H17,,,,,36033,bmst000250,1
6,covalent,DOUB,C3,C7,,,,,36033,bmst000250,1
7,covalent,SING,C3,H18,,,,,36033,bmst000250,1
8,covalent,DOUB,C4,C8,,,,,36033,bmst000250,1
9,covalent,SING,C4,H19,,,,,36033,bmst000250,1
10,covalent,DOUB,C5,C9,,,,,36033,bmst000250,1
11,covalent,SING,C5,N13,,,,,36033,bmst000250,1
12,covalent,SING,C5,H20,,,,,36033,bmst000250,1
13,covalent,SING,C6,C9,,,,,36033,bmst000250,1
14,covalent,SING,C6,C10,,,,,36033,bmst000250,1
15,covalent,SING,C6,H21,,,,,36033,bmst000250,1
16,covalent,SING,C6,H22,,,,,36033,bmst000250,1
17,covalent,SING,C7,C8,,,,,36033,bmst000250,1
18,covalent,SING,C7,C9,,,,,36033,bmst000250,1
19,covalent,SING,C8,N13,,,,,36033,bmst000250,1
20,covalent,SING,C10,C11,,,,,36033,bmst000250,1
21,covalent,SING,C10,N12,,,,,36033,bmst000250,1
22,covalent,SING,C10,H23,,,,,36033,bmst000250,1
23,covalent,SING,C11,O14,,,,,36033,bmst000250,1
24,covalent,DOUB,C11,O15,,,,,36033,bmst000250,1
25,covalent,SING,N12,H24,,,,,36033,bmst000250,1
26,covalent,SING,N12,H25,,,,,36033,bmst000250,1
27,covalent,SING,N13,H26,,,,,36033,bmst000250,1
28,covalent,SING,O14,H27,,,,,36033,bmst000250,1
1,covalent,SING,C1,C2,,,,,36043,bmst000251,1
2,covalent,SING,C1,H9,,,,,36043,bmst000251,1
3,covalent,SING,C1,H10,,,,,36043,bmst000251,1
4,covalent,SING,C1,H11,,,,,36043,bmst000251,1
5,covalent,SING,C2,C3,,,,,36043,bmst000251,1
6,covalent,SING,C2,O6,,,,,36043,bmst000251,1
7,covalent,SING,C2,H12,,,,,36043,bmst000251,1
8,covalent,SING,C3,C4,,,,,36043,bmst000251,1
9,covalent,SING,C3,N7,,,,,36043,bmst000251,1
10,covalent,SING,C3,H13,,,,,36043,bmst000251,1
11,covalent,DOUB,C4,O5,,,,,36043,bmst000251,1
12,covalent,SING,C4,O8,,,,,36043,bmst000251,1
13,covalent,SING,O6,H14,,,,,36043,bmst000251,1
14,covalent,SING,N7,H15,,,,,36043,bmst000251,1
15,covalent,SING,N7,H16,,,,,36043,bmst000251,1
16,covalent,SING,O8,H17,,,,,36043,bmst000251,1
1,covalent,SING,O1,C2,,,,,36053,bmst000252,1
2,covalent,SING,O1,H9,,,,,36053,bmst000252,1
3,covalent,SING,C2,C3,,,,,36053,bmst000252,1
4,covalent,SING,C2,H10,,,,,36053,bmst000252,1
5,covalent,SING,C2,H11,,,,,36053,bmst000252,1
6,covalent,SING,C3,C4,,,,,36053,bmst000252,1
7,covalent,SING,C3,O7,,,,,36053,bmst000252,1
8,covalent,SING,C3,H12,,,,,36053,bmst000252,1
9,covalent,SING,C4,C5,,,,,36053,bmst000252,1
10,covalent,SING,C4,O8,,,,,36053,bmst000252,1
11,covalent,SING,C4,H13,,,,,36053,bmst000252,1
12,covalent,SING,C5,O6,,,,,36053,bmst000252,1
13,covalent,SING,C5,H14,,,,,36053,bmst000252,1
14,covalent,SING,C5,H15,,,,,36053,bmst000252,1
15,covalent,SING,O6,H16,,,,,36053,bmst000252,1
16,covalent,SING,O7,H17,,,,,36053,bmst000252,1
17,covalent,SING,O8,H18,,,,,36053,bmst000252,1
1,covalent,SING,C2,N1,,,,,36063,bmst000253,1
2,covalent,SING,N1,H8,,,,,36063,bmst000253,1
3,covalent,SING,N1,H9,,,,,36063,bmst000253,1
4,covalent,SING,C2,C3,,,,,36063,bmst000253,1
5,covalent,SING,C2,C5,,,,,36063,bmst000253,1
6,covalent,SING,C2,H10,,,,,36063,bmst000253,1
7,covalent,DOUB,C3,O4,,,,,36063,bmst000253,1
8,covalent,SING,C3,O7,,,,,36063,bmst000253,1
9,covalent,SING,C5,O6,,,,,36063,bmst000253,1
10,covalent,SING,C5,H11,,,,,36063,bmst000253,1
11,covalent,SING,C5,H12,,,,,36063,bmst000253,1
12,covalent,SING,O6,H13,,,,,36063,bmst000253,1
13,covalent,SING,O7,H14,,,,,36063,bmst000253,1
1,covalent,SING,N1,C2,,,,,36073,bmst000254,1
2,covalent,SING,N1,C7,,,,,36073,bmst000254,1
3,covalent,SING,N1,H9,,,,,36073,bmst000254,1
4,covalent,SING,C2,C3,,,,,36073,bmst000254,1
5,covalent,SING,C2,C5,,,,,36073,bmst000254,1
6,covalent,SING,C2,H10,,,,,36073,bmst000254,1
7,covalent,DOUB,C3,O4,,,,,36073,bmst000254,1
8,covalent,SING,C3,O8,,,,,36073,bmst000254,1
9,covalent,SING,C5,C6,,,,,36073,bmst000254,1
10,covalent,SING,C5,H11,,,,,36073,bmst000254,1
11,covalent,SING,C5,H12,,,,,36073,bmst000254,1
12,covalent,SING,C6,C7,,,,,36073,bmst000254,1
13,covalent,SING,C6,H13,,,,,36073,bmst000254,1
14,covalent,SING,C6,H14,,,,,36073,bmst000254,1
15,covalent,SING,C7,H15,,,,,36073,bmst000254,1
16,covalent,SING,C7,H16,,,,,36073,bmst000254,1
17,covalent,SING,O8,H17,,,,,36073,bmst000254,1
1,covalent,DOUB,C1,C2,,,,,36083,bmst000255,1
2,covalent,SING,C1,C3,,,,,36083,bmst000255,1
3,covalent,SING,C1,H13,,,,,36083,bmst000255,1
4,covalent,SING,C2,C4,,,,,36083,bmst000255,1
5,covalent,SING,C2,H14,,,,,36083,bmst000255,1
6,covalent,DOUB,C3,C5,,,,,36083,bmst000255,1
7,covalent,SING,C3,H15,,,,,36083,bmst000255,1
8,covalent,DOUB,C4,C7,,,,,36083,bmst000255,1
9,covalent,SING,C4,H16,,,,,36083,bmst000255,1
10,covalent,SING,C5,C7,,,,,36083,bmst000255,1
11,covalent,SING,C5,H17,,,,,36083,bmst000255,1
12,covalent,SING,C6,C7,,,,,36083,bmst000255,1
13,covalent,SING,C6,C8,,,,,36083,bmst000255,1
14,covalent,SING,C6,H18,,,,,36083,bmst000255,1
15,covalent,SING,C6,H19,,,,,36083,bmst000255,1
16,covalent,SING,C8,C9,,,,,36083,bmst000255,1
17,covalent,SING,C8,N10,,,,,36083,bmst000255,1
18,covalent,SING,C8,H20,,,,,36083,bmst000255,1
19,covalent,SING,C9,O11,,,,,36083,bmst000255,1
20,covalent,DOUB,C9,O12,,,,,36083,bmst000255,1
21,covalent,SING,N10,H21,,,,,36083,bmst000255,1
22,covalent,SING,N10,H22,,,,,36083,bmst000255,1
23,covalent,SING,O11,H23,,,,,36083,bmst000255,1
1,covalent,SING,C2,N1,,,,,36093,bmst000256,1
2,covalent,SING,N1,H10,,,,,36093,bmst000256,1
3,covalent,SING,N1,H11,,,,,36093,bmst000256,1
4,covalent,SING,C2,C3,,,,,36093,bmst000256,1
5,covalent,SING,C2,C5,,,,,36093,bmst000256,1
6,covalent,SING,C2,H12,,,,,36093,bmst000256,1
7,covalent,DOUB,C3,O4,,,,,36093,bmst000256,1
8,covalent,SING,C3,O9,,,,,36093,bmst000256,1
9,covalent,SING,C5,C6,,,,,36093,bmst000256,1
10,covalent,SING,C5,H13,,,,,36093,bmst000256,1
11,covalent,SING,C5,H14,,,,,36093,bmst000256,1
12,covalent,SING,C6,S7,,,,,36093,bmst000256,1
13,covalent,SING,C6,H15,,,,,36093,bmst000256,1
14,covalent,SING,C6,H16,,,,,36093,bmst000256,1
15,covalent,SING,S7,C8,,,,,36093,bmst000256,1
16,covalent,SING,C8,H17,,,,,36093,bmst000256,1
17,covalent,SING,C8,H18,,,,,36093,bmst000256,1
18,covalent,SING,C8,H19,,,,,36093,bmst000256,1
19,covalent,SING,O9,H20,,,,,36093,bmst000256,1
1,covalent,SING,C1,C3,,,,,36103,bmst000257,1
2,covalent,SING,C1,C4,,,,,36103,bmst000257,1
3,covalent,SING,C1,H11,,,,,36103,bmst000257,1
4,covalent,SING,C1,H12,,,,,36103,bmst000257,1
5,covalent,SING,C2,C4,,,,,36103,bmst000257,1
6,covalent,DOUB,C2,O5,,,,,36103,bmst000257,1
7,covalent,SING,C2,O7,,,,,36103,bmst000257,1
8,covalent,DOUB,C3,O6,,,,,36103,bmst000257,1
9,covalent,SING,C3,O8,,,,,36103,bmst000257,1
10,covalent,SING,C4,O9,,,,,36103,bmst000257,1
11,covalent,SING,C4,H10,,,,,36103,bmst000257,1
12,covalent,SING,O7,H13,,,,,36103,bmst000257,1
13,covalent,SING,O8,H14,,,,,36103,bmst000257,1
14,covalent,SING,O9,H15,,,,,36103,bmst000257,1
1,covalent,SING,C2,N1,,,,,36113,bmst000258,1
2,covalent,SING,N1,H11,,,,,36113,bmst000258,1
3,covalent,SING,N1,H12,,,,,36113,bmst000258,1
4,covalent,SING,C2,C3,,,,,36113,bmst000258,1
5,covalent,SING,C2,C5,,,,,36113,bmst000258,1
6,covalent,SING,C2,H13,,,,,36113,bmst000258,1
7,covalent,DOUB,C3,O4,,,,,36113,bmst000258,1
8,covalent,SING,C3,O10,,,,,36113,bmst000258,1
9,covalent,SING,C5,C6,,,,,36113,bmst000258,1
10,covalent,SING,C5,H14,,,,,36113,bmst000258,1
11,covalent,SING,C5,H15,,,,,36113,bmst000258,1
12,covalent,SING,C6,C7,,,,,36113,bmst000258,1
13,covalent,SING,C6,H16,,,,,36113,bmst000258,1
14,covalent,SING,C6,H17,,,,,36113,bmst000258,1
15,covalent,SING,C7,C8,,,,,36113,bmst000258,1
16,covalent,SING,C7,H18,,,,,36113,bmst000258,1
17,covalent,SING,C7,H19,,,,,36113,bmst000258,1
18,covalent,SING,C8,N9,,,,,36113,bmst000258,1
19,covalent,SING,C8,H20,,,,,36113,bmst000258,1
20,covalent,SING,C8,H21,,,,,36113,bmst000258,1
21,covalent,SING,N9,H22,,,,,36113,bmst000258,1
22,covalent,SING,N9,H23,,,,,36113,bmst000258,1
23,covalent,SING,O10,H24,,,,,36113,bmst000258,1
1,covalent,SING,C2,N1,,,,,36123,bmst000259,1
2,covalent,SING,N1,H10,,,,,36123,bmst000259,1
3,covalent,SING,N1,H11,,,,,36123,bmst000259,1
4,covalent,SING,C2,C3,,,,,36123,bmst000259,1
5,covalent,SING,C2,C5,,,,,36123,bmst000259,1
6,covalent,SING,C2,H12,,,,,36123,bmst000259,1
7,covalent,DOUB,C3,O4,,,,,36123,bmst000259,1
8,covalent,SING,C3,O9,,,,,36123,bmst000259,1
9,covalent,SING,C5,C6,,,,,36123,bmst000259,1
10,covalent,SING,C5,H13,,,,,36123,bmst000259,1
11,covalent,SING,C5,H14,,,,,36123,bmst000259,1
12,covalent,SING,C6,C7,,,,,36123,bmst000259,1
13,covalent,SING,C6,C8,,,,,36123,bmst000259,1
14,covalent,SING,C6,H15,,,,,36123,bmst000259,1
15,covalent,SING,C7,H16,,,,,36123,bmst000259,1
16,covalent,SING,C7,H17,,,,,36123,bmst000259,1
17,covalent,SING,C7,H18,,,,,36123,bmst000259,1
18,covalent,SING,C8,H19,,,,,36123,bmst000259,1
19,covalent,SING,C8,H20,,,,,36123,bmst000259,1
20,covalent,SING,C8,H21,,,,,36123,bmst000259,1
21,covalent,SING,O9,H22,,,,,36123,bmst000259,1
1,covalent,SING,C1,C2,,,,,36133,bmst000260,1
2,covalent,SING,C1,C6,,,,,36133,bmst000260,1
3,covalent,SING,C1,H10,,,,,36133,bmst000260,1
4,covalent,SING,C1,H11,,,,,36133,bmst000260,1
5,covalent,SING,C2,C3,,,,,36133,bmst000260,1
6,covalent,SING,C2,C7,,,,,36133,bmst000260,1
7,covalent,SING,C2,H12,,,,,36133,bmst000260,1
8,covalent,SING,C3,C4,,,,,36133,bmst000260,1
9,covalent,SING,C3,N8,,,,,36133,bmst000260,1
10,covalent,SING,C3,H13,,,,,36133,bmst000260,1
11,covalent,DOUB,C4,O5,,,,,36133,bmst000260,1
12,covalent,SING,C4,O9,,,,,36133,bmst000260,1
13,covalent,SING,C6,H14,,,,,36133,bmst000260,1
14,covalent,SING,C6,H15,,,,,36133,bmst000260,1
15,covalent,SING,C6,H16,,,,,36133,bmst000260,1
16,covalent,SING,C7,H17,,,,,36133,bmst000260,1
17,covalent,SING,C7,H18,,,,,36133,bmst000260,1
18,covalent,SING,C7,H19,,,,,36133,bmst000260,1
19,covalent,SING,N8,H20,,,,,36133,bmst000260,1
20,covalent,SING,N8,H21,,,,,36133,bmst000260,1
21,covalent,SING,O9,H22,,,,,36133,bmst000260,1
1,covalent,DOUB,C1,C4,,,,,36143,bmst000261,1
2,covalent,SING,C1,N9,,,,,36143,bmst000261,1
3,covalent,SING,C1,H12,,,,,36143,bmst000261,1
4,covalent,SING,C2,N8,,,,,36143,bmst000261,1
5,covalent,DOUB,C2,N9,,,,,36143,bmst000261,1
6,covalent,SING,C2,H13,,,,,36143,bmst000261,1
7,covalent,SING,C3,C4,,,,,36143,bmst000261,1
8,covalent,SING,C3,C5,,,,,36143,bmst000261,1
9,covalent,SING,C3,H14,,,,,36143,bmst000261,1
10,covalent,SING,C3,H15,,,,,36143,bmst000261,1
11,covalent,SING,C4,N8,,,,,36143,bmst000261,1
12,covalent,SING,C5,C6,,,,,36143,bmst000261,1
13,covalent,SING,C5,N7,,,,,36143,bmst000261,1
14,covalent,SING,C5,H16,,,,,36143,bmst000261,1
15,covalent,SING,C6,O10,,,,,36143,bmst000261,1
16,covalent,DOUB,C6,O11,,,,,36143,bmst000261,1
17,covalent,SING,N7,H17,,,,,36143,bmst000261,1
18,covalent,SING,N7,H18,,,,,36143,bmst000261,1
19,covalent,SING,N8,H19,,,,,36143,bmst000261,1
20,covalent,SING,O10,H20,,,,,36143,bmst000261,1
1,covalent,SING,C2,N1,,,,,36153,bmst000262,1
2,covalent,SING,N1,H11,,,,,36153,bmst000262,1
3,covalent,SING,N1,H12,,,,,36153,bmst000262,1
4,covalent,SING,C2,C3,,,,,36153,bmst000262,1
5,covalent,SING,C2,C5,,,,,36153,bmst000262,1
6,covalent,SING,C2,H13,,,,,36153,bmst000262,1
7,covalent,DOUB,C3,O4,,,,,36153,bmst000262,1
8,covalent,SING,C3,O10,,,,,36153,bmst000262,1
9,covalent,SING,C5,C6,,,,,36153,bmst000262,1
10,covalent,SING,C5,H14,,,,,36153,bmst000262,1
11,covalent,SING,C5,H15,,,,,36153,bmst000262,1
12,covalent,SING,C6,C7,,,,,36153,bmst000262,1
13,covalent,SING,C6,H16,,,,,36153,bmst000262,1
14,covalent,SING,C6,H17,,,,,36153,bmst000262,1
15,covalent,DOUB,C7,O8,,,,,36153,bmst000262,1
16,covalent,SING,C7,N9,,,,,36153,bmst000262,1
17,covalent,SING,N9,H18,,,,,36153,bmst000262,1
18,covalent,SING,N9,H19,,,,,36153,bmst000262,1
19,covalent,SING,O10,H20,,,,,36153,bmst000262,1
1,covalent,DOUB,C1,O3,,,,,36163,bmst000263,1
2,covalent,SING,C1,C4,,,,,36163,bmst000263,1
3,covalent,SING,C1,O8,,,,,36163,bmst000263,1
4,covalent,DOUB,C2,O5,,,,,36163,bmst000263,1
5,covalent,SING,C2,C7,,,,,36163,bmst000263,1
6,covalent,SING,C2,O10,,,,,36163,bmst000263,1
7,covalent,SING,C4,C6,,,,,36163,bmst000263,1
8,covalent,SING,C4,N9,,,,,36163,bmst000263,1
9,covalent,SING,C4,H11,,,,,36163,bmst000263,1
10,covalent,SING,C6,C7,,,,,36163,bmst000263,1
11,covalent,SING,C6,H12,,,,,36163,bmst000263,1
12,covalent,SING,C6,H13,,,,,36163,bmst000263,1
13,covalent,SING,C7,H14,,,,,36163,bmst000263,1
14,covalent,SING,C7,H15,,,,,36163,bmst000263,1
15,covalent,SING,O8,H16,,,,,36163,bmst000263,1
16,covalent,SING,N9,H17,,,,,36163,bmst000263,1
17,covalent,SING,N9,H18,,,,,36163,bmst000263,1
18,covalent,SING,O10,H19,,,,,36163,bmst000263,1
1,covalent,SING,C1,C2,,,,,36173,bmst000264,1
2,covalent,SING,C1,C3,,,,,36173,bmst000264,1
3,covalent,SING,C1,N4,,,,,36173,bmst000264,1
4,covalent,SING,C1,H15,,,,,36173,bmst000264,1
5,covalent,SING,C2,S5,,,,,36173,bmst000264,1
6,covalent,SING,C2,H16,,,,,36173,bmst000264,1
7,covalent,SING,C2,H17,,,,,36173,bmst000264,1
8,covalent,SING,C3,O6,,,,,36173,bmst000264,1
9,covalent,DOUB,C3,O7,,,,,36173,bmst000264,1
10,covalent,SING,N4,H18,,,,,36173,bmst000264,1
11,covalent,SING,N4,H19,,,,,36173,bmst000264,1
12,covalent,SING,S5,S8,,,,,36173,bmst000264,1
13,covalent,SING,O6,H20,,,,,36173,bmst000264,1
14,covalent,SING,S8,C9,,,,,36173,bmst000264,1
15,covalent,SING,C9,C10,,,,,36173,bmst000264,1
16,covalent,SING,C9,H21,,,,,36173,bmst000264,1
17,covalent,SING,C9,H22,,,,,36173,bmst000264,1
18,covalent,SING,C10,C11,,,,,36173,bmst000264,1
19,covalent,SING,C10,N12,,,,,36173,bmst000264,1
20,covalent,SING,C10,H23,,,,,36173,bmst000264,1
21,covalent,SING,C11,O13,,,,,36173,bmst000264,1
22,covalent,DOUB,C11,O14,,,,,36173,bmst000264,1
23,covalent,SING,N12,H24,,,,,36173,bmst000264,1
24,covalent,SING,N12,H25,,,,,36173,bmst000264,1
25,covalent,SING,O13,H26,,,,,36173,bmst000264,1
1,covalent,SING,C2,N1,,,,,36183,bmst000265,1
2,covalent,SING,N1,H8,,,,,36183,bmst000265,1
3,covalent,SING,N1,H9,,,,,36183,bmst000265,1
4,covalent,SING,C2,C3,,,,,36183,bmst000265,1
5,covalent,SING,C2,C5,,,,,36183,bmst000265,1
6,covalent,SING,C2,H10,,,,,36183,bmst000265,1
7,covalent,DOUB,C3,O4,,,,,36183,bmst000265,1
8,covalent,SING,C3,O7,,,,,36183,bmst000265,1
9,covalent,SING,C5,S6,,,,,36183,bmst000265,1
10,covalent,SING,C5,H11,,,,,36183,bmst000265,1
11,covalent,SING,C5,H12,,,,,36183,bmst000265,1
12,covalent,SING,S6,H13,,,,,36183,bmst000265,1
13,covalent,SING,O7,H14,,,,,36183,bmst000265,1
1,covalent,SING,C1,C2,,,,,36193,bmst000266,1
2,covalent,SING,C1,O4,,,,,36193,bmst000266,1
3,covalent,DOUB,C1,O5,,,,,36193,bmst000266,1
4,covalent,SING,C2,C6,,,,,36193,bmst000266,1
5,covalent,SING,C2,H12,,,,,36193,bmst000266,1
6,covalent,SING,C2,H13,,,,,36193,bmst000266,1
7,covalent,SING,N3,C7,,,,,36193,bmst000266,1
8,covalent,SING,N3,C9,,,,,36193,bmst000266,1
9,covalent,SING,N3,C10,,,,,36193,bmst000266,1
10,covalent,SING,N3,C11,,,,,36193,bmst000266,1
11,covalent,SING,C6,C7,,,,,36193,bmst000266,1
12,covalent,SING,C6,O8,,,,,36193,bmst000266,1
13,covalent,SING,C6,H14,,,,,36193,bmst000266,1
14,covalent,SING,C7,H15,,,,,36193,bmst000266,1
15,covalent,SING,C7,H16,,,,,36193,bmst000266,1
16,covalent,SING,O8,H17,,,,,36193,bmst000266,1
17,covalent,SING,C9,H18,,,,,36193,bmst000266,1
18,covalent,SING,C9,H19,,,,,36193,bmst000266,1
19,covalent,SING,C9,H20,,,,,36193,bmst000266,1
20,covalent,SING,C10,H21,,,,,36193,bmst000266,1
21,covalent,SING,C10,H22,,,,,36193,bmst000266,1
22,covalent,SING,C10,H23,,,,,36193,bmst000266,1
23,covalent,SING,C11,H24,,,,,36193,bmst000266,1
24,covalent,SING,C11,H25,,,,,36193,bmst000266,1
25,covalent,SING,C11,H26,,,,,36193,bmst000266,1
1,covalent,SING,C2,N1,,,,,36203,bmst000267,1
2,covalent,SING,N1,H13,,,,,36203,bmst000267,1
3,covalent,SING,N1,H14,,,,,36203,bmst000267,1
4,covalent,SING,C2,C3,,,,,36203,bmst000267,1
5,covalent,SING,C2,C5,,,,,36203,bmst000267,1
6,covalent,SING,C2,H15,,,,,36203,bmst000267,1
7,covalent,SING,C3,C4,,,,,36203,bmst000267,1
8,covalent,SING,C3,H16,,,,,36203,bmst000267,1
9,covalent,SING,C3,H17,,,,,36203,bmst000267,1
10,covalent,SING,C4,O6,,,,,36203,bmst000267,1
11,covalent,SING,C4,H18,,,,,36203,bmst000267,1
12,covalent,SING,C4,H19,,,,,36203,bmst000267,1
13,covalent,DOUB,C5,O11,,,,,36203,bmst000267,1
14,covalent,SING,C5,O12,,,,,36203,bmst000267,1
15,covalent,SING,O6,N7,,,,,36203,bmst000267,1
16,covalent,DOUB,N7,C8,,,,,36203,bmst000267,1
17,covalent,SING,C8,N9,,,,,36203,bmst000267,1
18,covalent,SING,C8,N10,,,,,36203,bmst000267,1
19,covalent,SING,N9,H20,,,,,36203,bmst000267,1
20,covalent,SING,N9,H21,,,,,36203,bmst000267,1
21,covalent,SING,N10,H22,,,,,36203,bmst000267,1
22,covalent,SING,N10,H23,,,,,36203,bmst000267,1
23,covalent,SING,O12,H24,,,,,36203,bmst000267,1
1,covalent,SING,C2,N1,,,,,36213,bmst000268,1
2,covalent,SING,N1,H10,,,,,36213,bmst000268,1
3,covalent,SING,N1,H11,,,,,36213,bmst000268,1
4,covalent,SING,C2,C3,,,,,36213,bmst000268,1
5,covalent,SING,C2,C5,,,,,36213,bmst000268,1
6,covalent,SING,C2,H12,,,,,36213,bmst000268,1
7,covalent,DOUB,C3,O4,,,,,36213,bmst000268,1
8,covalent,SING,C3,O9,,,,,36213,bmst000268,1
9,covalent,SING,C5,C6,,,,,36213,bmst000268,1
10,covalent,SING,C5,H13,,,,,36213,bmst000268,1
11,covalent,SING,C5,H14,,,,,36213,bmst000268,1
12,covalent,DOUB,C6,O7,,,,,36213,bmst000268,1
13,covalent,SING,C6,O8,,,,,36213,bmst000268,1
14,covalent,SING,O8,H15,,,,,36213,bmst000268,1
15,covalent,SING,O9,H16,,,,,36213,bmst000268,1
1,covalent,SING,C2,N1,,,,,36223,bmst000269,1
2,covalent,SING,N1,H10,,,,,36223,bmst000269,1
3,covalent,SING,N1,H11,,,,,36223,bmst000269,1
4,covalent,SING,C2,C3,,,,,36223,bmst000269,1
5,covalent,SING,C2,C5,,,,,36223,bmst000269,1
6,covalent,SING,C2,H12,,,,,36223,bmst000269,1
7,covalent,DOUB,C3,O4,,,,,36223,bmst000269,1
8,covalent,SING,C3,O9,,,,,36223,bmst000269,1
9,covalent,SING,C5,C6,,,,,36223,bmst000269,1
10,covalent,SING,C5,H13,,,,,36223,bmst000269,1
11,covalent,SING,C5,H14,,,,,36223,bmst000269,1
12,covalent,DOUB,C6,O7,,,,,36223,bmst000269,1
13,covalent,SING,C6,N8,,,,,36223,bmst000269,1
14,covalent,SING,N8,H15,,,,,36223,bmst000269,1
15,covalent,SING,N8,H16,,,,,36223,bmst000269,1
16,covalent,SING,O9,H17,,,,,36223,bmst000269,1
1,covalent,SING,C2,N1,,,,,36233,bmst000270,1
2,covalent,SING,N1,H13,,,,,36233,bmst000270,1
3,covalent,SING,N1,H14,,,,,36233,bmst000270,1
4,covalent,SING,C2,C3,,,,,36233,bmst000270,1
5,covalent,SING,C2,C5,,,,,36233,bmst000270,1
6,covalent,SING,C2,H15,,,,,36233,bmst000270,1
7,covalent,DOUB,C3,O4,,,,,36233,bmst000270,1
8,covalent,SING,C3,O12,,,,,36233,bmst000270,1
9,covalent,SING,C5,C6,,,,,36233,bmst000270,1
10,covalent,SING,C5,H16,,,,,36233,bmst000270,1
11,covalent,SING,C5,H17,,,,,36233,bmst000270,1
12,covalent,SING,C6,C7,,,,,36233,bmst000270,1
13,covalent,SING,C6,H18,,,,,36233,bmst000270,1
14,covalent,SING,C6,H19,,,,,36233,bmst000270,1
15,covalent,SING,C7,N8,,,,,36233,bmst000270,1
16,covalent,SING,C7,H20,,,,,36233,bmst000270,1
17,covalent,SING,C7,H21,,,,,36233,bmst000270,1
18,covalent,DOUB,N8,C9,,,,,36233,bmst000270,1
19,covalent,SING,C9,N10,,,,,36233,bmst000270,1
20,covalent,SING,C9,N11,,,,,36233,bmst000270,1
21,covalent,SING,N10,H22,,,,,36233,bmst000270,1
22,covalent,SING,N10,H23,,,,,36233,bmst000270,1
23,covalent,SING,N11,H24,,,,,36233,bmst000270,1
24,covalent,SING,N11,H25,,,,,36233,bmst000270,1
25,covalent,SING,O12,H26,,,,,36233,bmst000270,1
1,covalent,SING,C1,C2,,,,,36243,bmst000271,1
2,covalent,SING,C1,C3,,,,,36243,bmst000271,1
3,covalent,SING,C1,O4,,,,,36243,bmst000271,1
4,covalent,SING,C1,H11,,,,,36243,bmst000271,1
5,covalent,SING,C2,C5,,,,,36243,bmst000271,1
6,covalent,SING,C2,O6,,,,,36243,bmst000271,1
7,covalent,SING,C2,H12,,,,,36243,bmst000271,1
8,covalent,SING,C3,C7,,,,,36243,bmst000271,1
9,covalent,SING,C3,O8,,,,,36243,bmst000271,1
10,covalent,SING,C3,H13,,,,,36243,bmst000271,1
11,covalent,SING,O4,H14,,,,,36243,bmst000271,1
12,covalent,SING,C5,O9,,,,,36243,bmst000271,1
13,covalent,SING,C5,H15,,,,,36243,bmst000271,1
14,covalent,SING,C5,H16,,,,,36243,bmst000271,1
15,covalent,SING,O6,H17,,,,,36243,bmst000271,1
16,covalent,SING,C7,O10,,,,,36243,bmst000271,1
17,covalent,SING,C7,H18,,,,,36243,bmst000271,1
18,covalent,SING,C7,H19,,,,,36243,bmst000271,1
19,covalent,SING,O8,H20,,,,,36243,bmst000271,1
20,covalent,SING,O9,H21,,,,,36243,bmst000271,1
21,covalent,SING,O10,H22,,,,,36243,bmst000271,1
1,covalent,SING,C2,N1,,,,,36253,bmst000272,1
2,covalent,SING,N1,H7,,,,,36253,bmst000272,1
3,covalent,SING,N1,H8,,,,,36253,bmst000272,1
4,covalent,SING,C2,C3,,,,,36253,bmst000272,1
5,covalent,SING,C2,C5,,,,,36253,bmst000272,1
6,covalent,SING,C2,H9,,,,,36253,bmst000272,1
7,covalent,DOUB,C3,O4,,,,,36253,bmst000272,1
8,covalent,SING,C3,O6,,,,,36253,bmst000272,1
9,covalent,SING,C5,H10,,,,,36253,bmst000272,1
10,covalent,SING,C5,H11,,,,,36253,bmst000272,1
11,covalent,SING,C5,H12,,,,,36253,bmst000272,1
12,covalent,SING,O6,H13,,,,,36253,bmst000272,1
1,covalent,SING,P1,O4,,,,,36263,bmst000273,1
2,covalent,SING,P1,O5,,,,,36263,bmst000273,1
3,covalent,SING,P1,O7,,,,,36263,bmst000273,1
4,covalent,DOUB,P1,O14,,,,,36263,bmst000273,1
5,covalent,SING,P2,O4,,,,,36263,bmst000273,1
6,covalent,SING,P2,O6,,,,,36263,bmst000273,1
7,covalent,SING,P2,O8,,,,,36263,bmst000273,1
8,covalent,DOUB,P2,O15,,,,,36263,bmst000273,1
9,covalent,SING,P3,O5,,,,,36263,bmst000273,1
10,covalent,SING,P3,O9,,,,,36263,bmst000273,1
11,covalent,SING,P3,O10,,,,,36263,bmst000273,1
12,covalent,DOUB,P3,O16,,,,,36263,bmst000273,1
13,covalent,SING,O6,C22,,,,,36263,bmst000273,1
14,covalent,SING,O7,H32,,,,,36263,bmst000273,1
15,covalent,SING,O8,H33,,,,,36263,bmst000273,1
16,covalent,SING,O9,H35,,,,,36263,bmst000273,1
17,covalent,SING,O10,H34,,,,,36263,bmst000273,1
18,covalent,SING,C25,O11,,,,,36263,bmst000273,1
19,covalent,SING,O11,H36,,,,,36263,bmst000273,1
20,covalent,SING,C26,O12,,,,,36263,bmst000273,1
21,covalent,SING,O12,H37,,,,,36263,bmst000273,1
22,covalent,SING,O13,C23,,,,,36263,bmst000273,1
23,covalent,SING,O13,C24,,,,,36263,bmst000273,1
24,covalent,DOUB,O17,C28,,,,,36263,bmst000273,1
25,covalent,SING,C23,N18,,,,,36263,bmst000273,1
26,covalent,SING,N18,C27,,,,,36263,bmst000273,1
27,covalent,SING,N18,C31,,,,,36263,bmst000273,1
28,covalent,SING,N19,C27,,,,,36263,bmst000273,1
29,covalent,SING,N19,C30,,,,,36263,bmst000273,1
30,covalent,SING,N19,H38,,,,,36263,bmst000273,1
31,covalent,SING,N20,C28,,,,,36263,bmst000273,1
32,covalent,DOUB,N20,C30,,,,,36263,bmst000273,1
33,covalent,SING,N21,C29,,,,,36263,bmst000273,1
34,covalent,DOUB,N21,C31,,,,,36263,bmst000273,1
35,covalent,SING,C24,C22,,,,,36263,bmst000273,1
36,covalent,SING,C22,H39,,,,,36263,bmst000273,1
37,covalent,SING,C22,H40,,,,,36263,bmst000273,1
38,covalent,SING,C23,C25,,,,,36263,bmst000273,1
39,covalent,SING,C23,H41,,,,,36263,bmst000273,1
40,covalent,SING,C24,C26,,,,,36263,bmst000273,1
41,covalent,SING,C24,H42,,,,,36263,bmst000273,1
42,covalent,SING,C25,C26,,,,,36263,bmst000273,1
43,covalent,SING,C25,H43,,,,,36263,bmst000273,1
44,covalent,SING,C26,H44,,,,,36263,bmst000273,1
45,covalent,DOUB,C27,C29,,,,,36263,bmst000273,1
46,covalent,SING,C28,C29,,,,,36263,bmst000273,1
47,covalent,SING,C30,H45,,,,,36263,bmst000273,1
48,covalent,SING,C31,H46,,,,,36263,bmst000273,1
1,covalent,SING,O1,C3,,,,,36273,bmst000274,1
2,covalent,SING,O1,H9,,,,,36273,bmst000274,1
3,covalent,SING,O2,C4,,,,,36273,bmst000274,1
4,covalent,SING,O2,H10,,,,,36273,bmst000274,1
5,covalent,SING,C3,C5,,,,,36273,bmst000274,1
6,covalent,DOUB,C3,C7,,,,,36273,bmst000274,1
7,covalent,SING,C4,C6,,,,,36273,bmst000274,1
8,covalent,DOUB,C4,C8,,,,,36273,bmst000274,1
9,covalent,DOUB,C5,C6,,,,,36273,bmst000274,1
10,covalent,SING,C5,H11,,,,,36273,bmst000274,1
11,covalent,SING,C6,H12,,,,,36273,bmst000274,1
12,covalent,SING,C7,C8,,,,,36273,bmst000274,1
13,covalent,SING,C7,H13,,,,,36273,bmst000274,1
14,covalent,SING,C8,H14,,,,,36273,bmst000274,1
1,covalent,SING,O1,C2,,,,,36283,bmst000275,1
2,covalent,SING,O1,H3,,,,,36283,bmst000275,1
3,covalent,SING,C2,H4,,,,,36283,bmst000275,1
4,covalent,SING,C2,H5,,,,,36283,bmst000275,1
5,covalent,SING,C2,H6,,,,,36283,bmst000275,1
1,covalent,SING,C1,C2,,,,,36293,bmst000276,1
2,covalent,SING,C1,O3,,,,,36293,bmst000276,1
3,covalent,SING,C1,C4,,,,,36293,bmst000276,1
4,covalent,SING,C1,H22,,,,,36293,bmst000276,1
5,covalent,SING,C2,C5,,,,,36293,bmst000276,1
6,covalent,SING,C2,N6,,,,,36293,bmst000276,1
7,covalent,SING,C2,H23,,,,,36293,bmst000276,1
8,covalent,SING,O3,C7,,,,,36293,bmst000276,1
9,covalent,SING,C4,C8,,,,,36293,bmst000276,1
10,covalent,SING,C4,O9,,,,,36293,bmst000276,1
11,covalent,SING,C4,H24,,,,,36293,bmst000276,1
12,covalent,SING,C5,C10,,,,,36293,bmst000276,1
13,covalent,SING,C5,O11,,,,,36293,bmst000276,1
14,covalent,SING,C5,H25,,,,,36293,bmst000276,1
15,covalent,SING,N6,C12,,,,,36293,bmst000276,1
16,covalent,SING,N6,H26,,,,,36293,bmst000276,1
17,covalent,SING,C7,C10,,,,,36293,bmst000276,1
18,covalent,SING,C7,C13,,,,,36293,bmst000276,1
19,covalent,SING,C7,O14,,,,,36293,bmst000276,1
20,covalent,SING,C8,C15,,,,,36293,bmst000276,1
21,covalent,SING,C8,O16,,,,,36293,bmst000276,1
22,covalent,SING,C8,H27,,,,,36293,bmst000276,1
23,covalent,SING,O9,H28,,,,,36293,bmst000276,1
24,covalent,SING,C10,H29,,,,,36293,bmst000276,1
25,covalent,SING,C10,H30,,,,,36293,bmst000276,1
26,covalent,SING,O11,H31,,,,,36293,bmst000276,1
27,covalent,SING,C12,C17,,,,,36293,bmst000276,1
28,covalent,DOUB,C12,O18,,,,,36293,bmst000276,1
29,covalent,SING,C13,O19,,,,,36293,bmst000276,1
30,covalent,DOUB,C13,O20,,,,,36293,bmst000276,1
31,covalent,SING,O14,H32,,,,,36293,bmst000276,1
32,covalent,SING,C15,O21,,,,,36293,bmst000276,1
33,covalent,SING,C15,H33,,,,,36293,bmst000276,1
34,covalent,SING,C15,H34,,,,,36293,bmst000276,1
35,covalent,SING,O16,H35,,,,,36293,bmst000276,1
36,covalent,SING,C17,H36,,,,,36293,bmst000276,1
37,covalent,SING,C17,H37,,,,,36293,bmst000276,1
38,covalent,SING,C17,H38,,,,,36293,bmst000276,1
39,covalent,SING,O19,H39,,,,,36293,bmst000276,1
40,covalent,SING,O21,H40,,,,,36293,bmst000276,1
1,covalent,DOUB,O1,C4,,,,,36303,bmst000277,1
2,covalent,SING,N2,C4,,,,,36303,bmst000277,1
3,covalent,SING,N2,H10,,,,,36303,bmst000277,1
4,covalent,SING,N2,H11,,,,,36303,bmst000277,1
5,covalent,SING,N3,C6,,,,,36303,bmst000277,1
6,covalent,DOUB,N3,C7,,,,,36303,bmst000277,1
7,covalent,SING,C4,C5,,,,,36303,bmst000277,1
8,covalent,DOUB,C5,C6,,,,,36303,bmst000277,1
9,covalent,SING,C5,C8,,,,,36303,bmst000277,1
10,covalent,SING,C6,H12,,,,,36303,bmst000277,1
11,covalent,SING,C7,C9,,,,,36303,bmst000277,1
12,covalent,SING,C7,H13,,,,,36303,bmst000277,1
13,covalent,DOUB,C8,C9,,,,,36303,bmst000277,1
14,covalent,SING,C8,H14,,,,,36303,bmst000277,1
15,covalent,SING,C9,H15,,,,,36303,bmst000277,1
1,covalent,SING,O1,C7,,,,,36313,bmst000278,1
2,covalent,SING,O1,H12,,,,,36313,bmst000278,1
3,covalent,DOUB,O2,C7,,,,,36313,bmst000278,1
4,covalent,DOUB,O3,C8,,,,,36313,bmst000278,1
5,covalent,DOUB,O4,C9,,,,,36313,bmst000278,1
6,covalent,SING,N5,C8,,,,,36313,bmst000278,1
7,covalent,SING,N5,C9,,,,,36313,bmst000278,1
8,covalent,SING,N5,H13,,,,,36313,bmst000278,1
9,covalent,SING,N6,C8,,,,,36313,bmst000278,1
10,covalent,SING,N6,C10,,,,,36313,bmst000278,1
11,covalent,SING,N6,H14,,,,,36313,bmst000278,1
12,covalent,SING,C7,C10,,,,,36313,bmst000278,1
13,covalent,SING,C9,C11,,,,,36313,bmst000278,1
14,covalent,DOUB,C10,C11,,,,,36313,bmst000278,1
15,covalent,SING,C11,H15,,,,,36313,bmst000278,1
1,covalent,SING,O1,C10,,,,,36323,bmst000279,1
2,covalent,SING,O1,H14,,,,,36323,bmst000279,1
3,covalent,SING,O2,C11,,,,,36323,bmst000279,1
4,covalent,SING,O2,H15,,,,,36323,bmst000279,1
5,covalent,SING,O3,C12,,,,,36323,bmst000279,1
6,covalent,SING,O3,H16,,,,,36323,bmst000279,1
7,covalent,DOUB,O4,C10,,,,,36323,bmst000279,1
8,covalent,DOUB,O5,C11,,,,,36323,bmst000279,1
9,covalent,DOUB,O6,C12,,,,,36323,bmst000279,1
10,covalent,DOUB,O7,C13,,,,,36323,bmst000279,1
11,covalent,SING,C8,C9,,,,,36323,bmst000279,1
12,covalent,SING,C8,C10,,,,,36323,bmst000279,1
13,covalent,SING,C8,C13,,,,,36323,bmst000279,1
14,covalent,SING,C8,H17,,,,,36323,bmst000279,1
15,covalent,SING,C9,C11,,,,,36323,bmst000279,1
16,covalent,SING,C9,H18,,,,,36323,bmst000279,1
17,covalent,SING,C9,H19,,,,,36323,bmst000279,1
18,covalent,SING,C12,C13,,,,,36323,bmst000279,1
1,covalent,SING,C8,O1,,,,,36333,bmst000280,1
2,covalent,SING,O1,H16,,,,,36333,bmst000280,1
3,covalent,SING,O2,C9,,,,,36333,bmst000280,1
4,covalent,SING,O2,H17,,,,,36333,bmst000280,1
5,covalent,SING,O3,C14,,,,,36333,bmst000280,1
6,covalent,SING,O3,H18,,,,,36333,bmst000280,1
7,covalent,DOUB,O4,C14,,,,,36333,bmst000280,1
8,covalent,DOUB,O5,C15,,,,,36333,bmst000280,1
9,covalent,SING,N6,C10,,,,,36333,bmst000280,1
10,covalent,SING,N6,C15,,,,,36333,bmst000280,1
11,covalent,SING,N6,H19,,,,,36333,bmst000280,1
12,covalent,SING,C7,C8,,,,,36333,bmst000280,1
13,covalent,SING,C7,C9,,,,,36333,bmst000280,1
14,covalent,SING,C7,C12,,,,,36333,bmst000280,1
15,covalent,SING,C7,C13,,,,,36333,bmst000280,1
16,covalent,SING,C8,C15,,,,,36333,bmst000280,1
17,covalent,SING,C8,H20,,,,,36333,bmst000280,1
18,covalent,SING,C9,H21,,,,,36333,bmst000280,1
19,covalent,SING,C9,H22,,,,,36333,bmst000280,1
20,covalent,SING,C10,C11,,,,,36333,bmst000280,1
21,covalent,SING,C10,H23,,,,,36333,bmst000280,1
22,covalent,SING,C10,H24,,,,,36333,bmst000280,1
23,covalent,SING,C11,C14,,,,,36333,bmst000280,1
24,covalent,SING,C11,H25,,,,,36333,bmst000280,1
25,covalent,SING,C11,H26,,,,,36333,bmst000280,1
26,covalent,SING,C12,H28,,,,,36333,bmst000280,1
27,covalent,SING,C12,H29,,,,,36333,bmst000280,1
28,covalent,SING,C12,H30,,,,,36333,bmst000280,1
29,covalent,SING,C13,H27,,,,,36333,bmst000280,1
30,covalent,SING,C13,H31,,,,,36333,bmst000280,1
31,covalent,SING,C13,H32,,,,,36333,bmst000280,1
1,covalent,SING,O1,C2,,,,,36343,bmst000281,1
2,covalent,SING,O1,H8,,,,,36343,bmst000281,1
3,covalent,DOUB,C2,C3,,,,,36343,bmst000281,1
4,covalent,SING,C2,C4,,,,,36343,bmst000281,1
5,covalent,SING,C3,C5,,,,,36343,bmst000281,1
6,covalent,SING,C3,H9,,,,,36343,bmst000281,1
7,covalent,DOUB,C4,C6,,,,,36343,bmst000281,1
8,covalent,SING,C4,H10,,,,,36343,bmst000281,1
9,covalent,DOUB,C5,C7,,,,,36343,bmst000281,1
10,covalent,SING,C5,H11,,,,,36343,bmst000281,1
11,covalent,SING,C6,C7,,,,,36343,bmst000281,1
12,covalent,SING,C6,H12,,,,,36343,bmst000281,1
13,covalent,SING,C7,H13,,,,,36343,bmst000281,1
1,covalent,SING,O1,C5,,,,,36353,bmst000282,1
2,covalent,SING,O1,H13,,,,,36353,bmst000282,1
3,covalent,SING,O2,C6,,,,,36353,bmst000282,1
4,covalent,SING,O2,H14,,,,,36353,bmst000282,1
5,covalent,SING,O3,C9,,,,,36353,bmst000282,1
6,covalent,SING,O3,H15,,,,,36353,bmst000282,1
7,covalent,DOUB,N4,C8,,,,,36353,bmst000282,1
8,covalent,SING,N4,C12,,,,,36353,bmst000282,1
9,covalent,SING,C5,C10,,,,,36353,bmst000282,1
10,covalent,SING,C5,H16,,,,,36353,bmst000282,1
11,covalent,SING,C5,H17,,,,,36353,bmst000282,1
12,covalent,SING,C6,C11,,,,,36353,bmst000282,1
13,covalent,SING,C6,H18,,,,,36353,bmst000282,1
14,covalent,SING,C6,H19,,,,,36353,bmst000282,1
15,covalent,SING,C7,C8,,,,,36353,bmst000282,1
16,covalent,SING,C7,H20,,,,,36353,bmst000282,1
17,covalent,SING,C7,H21,,,,,36353,bmst000282,1
18,covalent,SING,C7,H22,,,,,36353,bmst000282,1
19,covalent,SING,C8,C9,,,,,36353,bmst000282,1
20,covalent,DOUB,C9,C10,,,,,36353,bmst000282,1
21,covalent,SING,C10,C11,,,,,36353,bmst000282,1
22,covalent,DOUB,C11,C12,,,,,36353,bmst000282,1
23,covalent,SING,C12,H23,,,,,36353,bmst000282,1
1,covalent,SING,C4,O1,,,,,36363,bmst000283,1
2,covalent,SING,O1,H7,,,,,36363,bmst000283,1
3,covalent,SING,O2,C6,,,,,36363,bmst000283,1
4,covalent,SING,O2,H8,,,,,36363,bmst000283,1
5,covalent,DOUB,O3,C6,,,,,36363,bmst000283,1
6,covalent,SING,C4,C5,,,,,36363,bmst000283,1
7,covalent,SING,C4,C6,,,,,36363,bmst000283,1
8,covalent,SING,C4,H9,,,,,36363,bmst000283,1
9,covalent,SING,C5,H10,,,,,36363,bmst000283,1
10,covalent,SING,C5,H11,,,,,36363,bmst000283,1
11,covalent,SING,C5,H12,,,,,36363,bmst000283,1
1,covalent,SING,S1,C14,,,,,36373,bmst000284,1
2,covalent,SING,S1,C16,,,,,36373,bmst000284,1
3,covalent,SING,C19,O2,,,,,36373,bmst000284,1
4,covalent,SING,O2,H27,,,,,36373,bmst000284,1
5,covalent,SING,C20,O3,,,,,36373,bmst000284,1
6,covalent,SING,O3,H28,,,,,36373,bmst000284,1
7,covalent,SING,O4,C21,,,,,36373,bmst000284,1
8,covalent,SING,O4,H29,,,,,36373,bmst000284,1
9,covalent,SING,O5,C17,,,,,36373,bmst000284,1
10,covalent,SING,O5,C18,,,,,36373,bmst000284,1
11,covalent,DOUB,O6,C21,,,,,36373,bmst000284,1
12,covalent,SING,C13,N7,,,,,36373,bmst000284,1
13,covalent,SING,N7,H30,,,,,36373,bmst000284,1
14,covalent,SING,N7,H31,,,,,36373,bmst000284,1
15,covalent,SING,N8,C22,,,,,36373,bmst000284,1
16,covalent,SING,N8,H32,,,,,36373,bmst000284,1
17,covalent,SING,N8,H33,,,,,36373,bmst000284,1
18,covalent,SING,C17,N9,,,,,36373,bmst000284,1
19,covalent,SING,N9,C23,,,,,36373,bmst000284,1
20,covalent,SING,N9,C25,,,,,36373,bmst000284,1
21,covalent,SING,N10,C24,,,,,36373,bmst000284,1
22,covalent,DOUB,N10,C25,,,,,36373,bmst000284,1
23,covalent,SING,N11,C22,,,,,36373,bmst000284,1
24,covalent,DOUB,N11,C26,,,,,36373,bmst000284,1
25,covalent,DOUB,N12,C23,,,,,36373,bmst000284,1
26,covalent,SING,N12,C26,,,,,36373,bmst000284,1
27,covalent,SING,C13,C15,,,,,36373,bmst000284,1
28,covalent,SING,C13,C21,,,,,36373,bmst000284,1
29,covalent,SING,C13,H34,,,,,36373,bmst000284,1
30,covalent,SING,C14,C15,,,,,36373,bmst000284,1
31,covalent,SING,C14,H35,,,,,36373,bmst000284,1
32,covalent,SING,C14,H36,,,,,36373,bmst000284,1
33,covalent,SING,C15,H37,,,,,36373,bmst000284,1
34,covalent,SING,C15,H38,,,,,36373,bmst000284,1
35,covalent,SING,C18,C16,,,,,36373,bmst000284,1
36,covalent,SING,C16,H39,,,,,36373,bmst000284,1
37,covalent,SING,C16,H40,,,,,36373,bmst000284,1
38,covalent,SING,C17,C19,,,,,36373,bmst000284,1
39,covalent,SING,C17,H41,,,,,36373,bmst000284,1
40,covalent,SING,C18,C20,,,,,36373,bmst000284,1
41,covalent,SING,C18,H42,,,,,36373,bmst000284,1
42,covalent,SING,C19,C20,,,,,36373,bmst000284,1
43,covalent,SING,C19,H43,,,,,36373,bmst000284,1
44,covalent,SING,C20,H44,,,,,36373,bmst000284,1
45,covalent,DOUB,C22,C24,,,,,36373,bmst000284,1
46,covalent,SING,C23,C24,,,,,36373,bmst000284,1
47,covalent,SING,C25,H45,,,,,36373,bmst000284,1
48,covalent,SING,C26,H46,,,,,36373,bmst000284,1
1,covalent,SING,C1,S27,,,,,36383,bmst000285,1
2,covalent,SING,C1,H28,,,,,36383,bmst000285,1
3,covalent,SING,C1,H29,,,,,36383,bmst000285,1
4,covalent,SING,C1,H30,,,,,36383,bmst000285,1
5,covalent,DOUB,C2,N18,,,,,36383,bmst000285,1
6,covalent,SING,C2,N19,,,,,36383,bmst000285,1
7,covalent,SING,C2,H31,,,,,36383,bmst000285,1
8,covalent,DOUB,C3,N20,,,,,36383,bmst000285,1
9,covalent,SING,C3,N21,,,,,36383,bmst000285,1
10,covalent,SING,C3,H32,,,,,36383,bmst000285,1
11,covalent,SING,C4,C5,,,,,36383,bmst000285,1
12,covalent,SING,C4,C14,,,,,36383,bmst000285,1
13,covalent,SING,C4,H33,,,,,36383,bmst000285,1
14,covalent,SING,C4,H34,,,,,36383,bmst000285,1
15,covalent,SING,C5,S27,,,,,36383,bmst000285,1
16,covalent,SING,C5,H35,,,,,36383,bmst000285,1
17,covalent,SING,C5,H36,,,,,36383,bmst000285,1
18,covalent,SING,C10,C6,,,,,36383,bmst000285,1
19,covalent,SING,C6,S27,,,,,36383,bmst000285,1
20,covalent,SING,C6,H37,,,,,36383,bmst000285,1
21,covalent,SING,C6,H38,,,,,36383,bmst000285,1
22,covalent,DOUB,C7,C8,,,,,36383,bmst000285,1
23,covalent,SING,C7,C9,,,,,36383,bmst000285,1
24,covalent,SING,C7,N20,,,,,36383,bmst000285,1
25,covalent,SING,C8,N16,,,,,36383,bmst000285,1
26,covalent,SING,C8,N18,,,,,36383,bmst000285,1
27,covalent,DOUB,C9,N19,,,,,36383,bmst000285,1
28,covalent,SING,C9,N21,,,,,36383,bmst000285,1
29,covalent,SING,C10,C11,,,,,36383,bmst000285,1
30,covalent,SING,C10,O26,,,,,36383,bmst000285,1
31,covalent,SING,C10,H39,,,,,36383,bmst000285,1
32,covalent,SING,C11,C12,,,,,36383,bmst000285,1
33,covalent,SING,C11,O22,,,,,36383,bmst000285,1
34,covalent,SING,C11,H40,,,,,36383,bmst000285,1
35,covalent,SING,C12,C13,,,,,36383,bmst000285,1
36,covalent,SING,C12,O23,,,,,36383,bmst000285,1
37,covalent,SING,C12,H41,,,,,36383,bmst000285,1
38,covalent,SING,C13,N21,,,,,36383,bmst000285,1
39,covalent,SING,C13,O26,,,,,36383,bmst000285,1
40,covalent,SING,C13,H42,,,,,36383,bmst000285,1
41,covalent,SING,C14,C15,,,,,36383,bmst000285,1
42,covalent,SING,C14,N17,,,,,36383,bmst000285,1
43,covalent,SING,C14,H43,,,,,36383,bmst000285,1
44,covalent,SING,C15,O24,,,,,36383,bmst000285,1
45,covalent,DOUB,C15,O25,,,,,36383,bmst000285,1
46,covalent,SING,N16,H44,,,,,36383,bmst000285,1
47,covalent,SING,N16,H45,,,,,36383,bmst000285,1
48,covalent,SING,N17,H46,,,,,36383,bmst000285,1
49,covalent,SING,N17,H47,,,,,36383,bmst000285,1
50,covalent,SING,O22,H48,,,,,36383,bmst000285,1
51,covalent,SING,O23,H49,,,,,36383,bmst000285,1
52,covalent,SING,O24,H50,,,,,36383,bmst000285,1
1,covalent,SING,O1,C4,,,,,36393,bmst000286,1
2,covalent,SING,O1,H11,,,,,36393,bmst000286,1
3,covalent,SING,O2,C5,,,,,36393,bmst000286,1
4,covalent,SING,O2,H12,,,,,36393,bmst000286,1
5,covalent,DOUB,O3,C4,,,,,36393,bmst000286,1
6,covalent,SING,C4,C6,,,,,36393,bmst000286,1
7,covalent,SING,C5,C6,,,,,36393,bmst000286,1
8,covalent,DOUB,C5,C7,,,,,36393,bmst000286,1
9,covalent,DOUB,C6,C8,,,,,36393,bmst000286,1
10,covalent,SING,C7,C9,,,,,36393,bmst000286,1
11,covalent,SING,C7,H13,,,,,36393,bmst000286,1
12,covalent,SING,C8,C10,,,,,36393,bmst000286,1
13,covalent,SING,C8,H14,,,,,36393,bmst000286,1
14,covalent,DOUB,C9,C10,,,,,36393,bmst000286,1
15,covalent,SING,C9,H15,,,,,36393,bmst000286,1
16,covalent,SING,C10,H16,,,,,36393,bmst000286,1
1,covalent,SING,Se1,C6,,,,,36403,bmst000287,1
2,covalent,SING,Se1,C8,,,,,36403,bmst000287,1
3,covalent,SING,O2,C9,,,,,36403,bmst000287,1
4,covalent,SING,O2,H10,,,,,36403,bmst000287,1
5,covalent,DOUB,O3,C9,,,,,36403,bmst000287,1
6,covalent,SING,N4,C5,,,,,36403,bmst000287,1
7,covalent,SING,N4,H11,,,,,36403,bmst000287,1
8,covalent,SING,N4,H12,,,,,36403,bmst000287,1
9,covalent,SING,C5,C7,,,,,36403,bmst000287,1
10,covalent,SING,C5,C9,,,,,36403,bmst000287,1
11,covalent,SING,C5,H13,,,,,36403,bmst000287,1
12,covalent,SING,C6,C7,,,,,36403,bmst000287,1
13,covalent,SING,C6,H14,,,,,36403,bmst000287,1
14,covalent,SING,C6,H15,,,,,36403,bmst000287,1
15,covalent,SING,C7,H16,,,,,36403,bmst000287,1
16,covalent,SING,C7,H17,,,,,36403,bmst000287,1
17,covalent,SING,C8,H18,,,,,36403,bmst000287,1
18,covalent,SING,C8,H19,,,,,36403,bmst000287,1
19,covalent,SING,C8,H20,,,,,36403,bmst000287,1
1,covalent,SING,S1,C14,,,,,36413,bmst000288,1
2,covalent,SING,S1,C17,,,,,36413,bmst000288,1
3,covalent,SING,O2,C7,,,,,36413,bmst000288,1
4,covalent,SING,O2,H19,,,,,36413,bmst000288,1
5,covalent,SING,N3,C13,,,,,36413,bmst000288,1
6,covalent,SING,N3,H20,,,,,36413,bmst000288,1
7,covalent,SING,N3,H21,,,,,36413,bmst000288,1
8,covalent,SING,N4,C9,,,,,36413,bmst000288,1
9,covalent,SING,N4,C15,,,,,36413,bmst000288,1
10,covalent,DOUB,N4,C17,,,,,36413,bmst000288,1
11,covalent,SING,N5,C12,,,,,36413,bmst000288,1
12,covalent,DOUB,N5,C13,,,,,36413,bmst000288,1
13,covalent,DOUB,N6,C12,,,,,36413,bmst000288,1
14,covalent,SING,N6,C18,,,,,36413,bmst000288,1
15,covalent,SING,C7,C8,,,,,36413,bmst000288,1
16,covalent,SING,C7,H22,,,,,36413,bmst000288,1
17,covalent,SING,C7,H23,,,,,36413,bmst000288,1
18,covalent,SING,C8,C14,,,,,36413,bmst000288,1
19,covalent,SING,C8,H24,,,,,36413,bmst000288,1
20,covalent,SING,C8,H25,,,,,36413,bmst000288,1
21,covalent,SING,C9,C16,,,,,36413,bmst000288,1
22,covalent,SING,C9,H26,,,,,36413,bmst000288,1
23,covalent,SING,C9,H27,,,,,36413,bmst000288,1
24,covalent,SING,C10,C12,,,,,36413,bmst000288,1
25,covalent,SING,C10,H28,,,,,36413,bmst000288,1
26,covalent,SING,C10,H29,,,,,36413,bmst000288,1
27,covalent,SING,C10,H30,,,,,36413,bmst000288,1
28,covalent,SING,C11,C15,,,,,36413,bmst000288,1
29,covalent,SING,C11,H31,,,,,36413,bmst000288,1
30,covalent,SING,C11,H32,,,,,36413,bmst000288,1
31,covalent,SING,C11,H33,,,,,36413,bmst000288,1
32,covalent,SING,C13,C16,,,,,36413,bmst000288,1
33,covalent,DOUB,C14,C15,,,,,36413,bmst000288,1
34,covalent,DOUB,C16,C18,,,,,36413,bmst000288,1
35,covalent,SING,C17,H34,,,,,36413,bmst000288,1
36,covalent,SING,C18,H35,,,,,36413,bmst000288,1
1,covalent,SING,P1,O3,,,,,36423,bmst000289,1
2,covalent,SING,P1,O4,,,,,36423,bmst000289,1
3,covalent,SING,P1,O5,,,,,36423,bmst000289,1
4,covalent,DOUB,P1,O11,,,,,36423,bmst000289,1
5,covalent,SING,P2,O3,,,,,36423,bmst000289,1
6,covalent,SING,P2,O6,,,,,36423,bmst000289,1
7,covalent,SING,P2,O7,,,,,36423,bmst000289,1
8,covalent,DOUB,P2,O12,,,,,36423,bmst000289,1
9,covalent,SING,O4,C17,,,,,36423,bmst000289,1
10,covalent,SING,O5,H26,,,,,36423,bmst000289,1
11,covalent,SING,O6,H27,,,,,36423,bmst000289,1
12,covalent,SING,O7,H28,,,,,36423,bmst000289,1
13,covalent,SING,C20,O8,,,,,36423,bmst000289,1
14,covalent,SING,O8,H29,,,,,36423,bmst000289,1
15,covalent,SING,C21,O9,,,,,36423,bmst000289,1
16,covalent,SING,O9,H30,,,,,36423,bmst000289,1
17,covalent,SING,O10,C18,,,,,36423,bmst000289,1
18,covalent,SING,O10,C19,,,,,36423,bmst000289,1
19,covalent,DOUB,O13,C22,,,,,36423,bmst000289,1
20,covalent,DOUB,O14,C23,,,,,36423,bmst000289,1
21,covalent,SING,C18,N15,,,,,36423,bmst000289,1
22,covalent,SING,N15,C22,,,,,36423,bmst000289,1
23,covalent,SING,N15,C24,,,,,36423,bmst000289,1
24,covalent,SING,N16,C22,,,,,36423,bmst000289,1
25,covalent,SING,N16,C23,,,,,36423,bmst000289,1
26,covalent,SING,N16,H31,,,,,36423,bmst000289,1
27,covalent,SING,C19,C17,,,,,36423,bmst000289,1
28,covalent,SING,C17,H32,,,,,36423,bmst000289,1
29,covalent,SING,C17,H33,,,,,36423,bmst000289,1
30,covalent,SING,C18,C20,,,,,36423,bmst000289,1
31,covalent,SING,C18,H34,,,,,36423,bmst000289,1
32,covalent,SING,C19,C21,,,,,36423,bmst000289,1
33,covalent,SING,C19,H35,,,,,36423,bmst000289,1
34,covalent,SING,C20,C21,,,,,36423,bmst000289,1
35,covalent,SING,C20,H36,,,,,36423,bmst000289,1
36,covalent,SING,C21,H37,,,,,36423,bmst000289,1
37,covalent,SING,C23,C25,,,,,36423,bmst000289,1
38,covalent,DOUB,C24,C25,,,,,36423,bmst000289,1
39,covalent,SING,C24,H38,,,,,36423,bmst000289,1
40,covalent,SING,C25,H39,,,,,36423,bmst000289,1
1,covalent,SING,P1,O3,,,,,36433,bmst000290,1
2,covalent,SING,P1,O4,,,,,36433,bmst000290,1
3,covalent,SING,P1,O6,,,,,36433,bmst000290,1
4,covalent,DOUB,P1,O16,,,,,36433,bmst000290,1
5,covalent,SING,P2,O3,,,,,36433,bmst000290,1
6,covalent,SING,P2,O5,,,,,36433,bmst000290,1
7,covalent,SING,P2,O7,,,,,36433,bmst000290,1
8,covalent,DOUB,P2,O17,,,,,36433,bmst000290,1
9,covalent,SING,O4,C23,,,,,36433,bmst000290,1
10,covalent,SING,C24,O5,,,,,36433,bmst000290,1
11,covalent,SING,O6,H38,,,,,36433,bmst000290,1
12,covalent,SING,O7,H39,,,,,36433,bmst000290,1
13,covalent,SING,C27,O8,,,,,36433,bmst000290,1
14,covalent,SING,O8,H40,,,,,36433,bmst000290,1
15,covalent,SING,C28,O9,,,,,36433,bmst000290,1
16,covalent,SING,O9,H41,,,,,36433,bmst000290,1
17,covalent,SING,C29,O10,,,,,36433,bmst000290,1
18,covalent,SING,O10,H42,,,,,36433,bmst000290,1
19,covalent,SING,C30,O11,,,,,36433,bmst000290,1
20,covalent,SING,O11,H43,,,,,36433,bmst000290,1
21,covalent,SING,C31,O12,,,,,36433,bmst000290,1
22,covalent,SING,O12,H44,,,,,36433,bmst000290,1
23,covalent,SING,O13,C33,,,,,36433,bmst000290,1
24,covalent,SING,O13,H45,,,,,36433,bmst000290,1
25,covalent,SING,O14,C25,,,,,36433,bmst000290,1
26,covalent,SING,O14,C26,,,,,36433,bmst000290,1
27,covalent,SING,O15,C24,,,,,36433,bmst000290,1
28,covalent,SING,O15,C32,,,,,36433,bmst000290,1
29,covalent,DOUB,O18,C33,,,,,36433,bmst000290,1
30,covalent,DOUB,O19,C34,,,,,36433,bmst000290,1
31,covalent,DOUB,O20,C35,,,,,36433,bmst000290,1
32,covalent,SING,C25,N21,,,,,36433,bmst000290,1
33,covalent,SING,N21,C34,,,,,36433,bmst000290,1
34,covalent,SING,N21,C36,,,,,36433,bmst000290,1
35,covalent,SING,N22,C34,,,,,36433,bmst000290,1
36,covalent,SING,N22,C35,,,,,36433,bmst000290,1
37,covalent,SING,N22,H46,,,,,36433,bmst000290,1
38,covalent,SING,C26,C23,,,,,36433,bmst000290,1
39,covalent,SING,C23,H47,,,,,36433,bmst000290,1
40,covalent,SING,C23,H48,,,,,36433,bmst000290,1
41,covalent,SING,C24,C27,,,,,36433,bmst000290,1
42,covalent,SING,C24,H49,,,,,36433,bmst000290,1
43,covalent,SING,C25,C28,,,,,36433,bmst000290,1
44,covalent,SING,C25,H50,,,,,36433,bmst000290,1
45,covalent,SING,C26,C29,,,,,36433,bmst000290,1
46,covalent,SING,C26,H51,,,,,36433,bmst000290,1
47,covalent,SING,C27,C30,,,,,36433,bmst000290,1
48,covalent,SING,C27,H52,,,,,36433,bmst000290,1
49,covalent,SING,C28,C29,,,,,36433,bmst000290,1
50,covalent,SING,C28,H53,,,,,36433,bmst000290,1
51,covalent,SING,C29,H54,,,,,36433,bmst000290,1
52,covalent,SING,C30,C31,,,,,36433,bmst000290,1
53,covalent,SING,C30,H55,,,,,36433,bmst000290,1
54,covalent,SING,C31,C32,,,,,36433,bmst000290,1
55,covalent,SING,C31,H56,,,,,36433,bmst000290,1
56,covalent,SING,C32,C33,,,,,36433,bmst000290,1
57,covalent,SING,C32,H57,,,,,36433,bmst000290,1
58,covalent,SING,C35,C37,,,,,36433,bmst000290,1
59,covalent,DOUB,C36,C37,,,,,36433,bmst000290,1
60,covalent,SING,C36,H58,,,,,36433,bmst000290,1
61,covalent,SING,C37,H59,,,,,36433,bmst000290,1
1,covalent,SING,P1,O2,,,,,36443,bmst000291,1
2,covalent,SING,P1,O3,,,,,36443,bmst000291,1
3,covalent,SING,P1,O4,,,,,36443,bmst000291,1
4,covalent,DOUB,P1,O8,,,,,36443,bmst000291,1
5,covalent,SING,O2,C13,,,,,36443,bmst000291,1
6,covalent,SING,O3,H23,,,,,36443,bmst000291,1
7,covalent,SING,O4,H22,,,,,36443,bmst000291,1
8,covalent,SING,C16,O5,,,,,36443,bmst000291,1
9,covalent,SING,O5,H24,,,,,36443,bmst000291,1
10,covalent,SING,C17,O6,,,,,36443,bmst000291,1
11,covalent,SING,O6,H25,,,,,36443,bmst000291,1
12,covalent,SING,O7,C14,,,,,36443,bmst000291,1
13,covalent,SING,O7,C15,,,,,36443,bmst000291,1
14,covalent,DOUB,O9,C18,,,,,36443,bmst000291,1
15,covalent,DOUB,O10,C19,,,,,36443,bmst000291,1
16,covalent,SING,C14,N11,,,,,36443,bmst000291,1
17,covalent,SING,N11,C18,,,,,36443,bmst000291,1
18,covalent,SING,N11,C20,,,,,36443,bmst000291,1
19,covalent,SING,N12,C18,,,,,36443,bmst000291,1
20,covalent,SING,N12,C19,,,,,36443,bmst000291,1
21,covalent,SING,N12,H26,,,,,36443,bmst000291,1
22,covalent,SING,C15,C13,,,,,36443,bmst000291,1
23,covalent,SING,C13,H27,,,,,36443,bmst000291,1
24,covalent,SING,C13,H28,,,,,36443,bmst000291,1
25,covalent,SING,C14,C16,,,,,36443,bmst000291,1
26,covalent,SING,C14,H29,,,,,36443,bmst000291,1
27,covalent,SING,C15,C17,,,,,36443,bmst000291,1
28,covalent,SING,C15,H30,,,,,36443,bmst000291,1
29,covalent,SING,C16,C17,,,,,36443,bmst000291,1
30,covalent,SING,C16,H31,,,,,36443,bmst000291,1
31,covalent,SING,C17,H32,,,,,36443,bmst000291,1
32,covalent,SING,C19,C21,,,,,36443,bmst000291,1
33,covalent,DOUB,C20,C21,,,,,36443,bmst000291,1
34,covalent,SING,C20,H33,,,,,36443,bmst000291,1
35,covalent,SING,C21,H34,,,,,36443,bmst000291,1
1,covalent,SING,P1,O4,,,,,36453,bmst000292,1
2,covalent,SING,P1,O5,,,,,36453,bmst000292,1
3,covalent,SING,P1,O7,,,,,36453,bmst000292,1
4,covalent,DOUB,P1,O14,,,,,36453,bmst000292,1
5,covalent,SING,P2,O4,,,,,36453,bmst000292,1
6,covalent,SING,P2,O6,,,,,36453,bmst000292,1
7,covalent,SING,P2,O8,,,,,36453,bmst000292,1
8,covalent,DOUB,P2,O15,,,,,36453,bmst000292,1
9,covalent,SING,P3,O5,,,,,36453,bmst000292,1
10,covalent,SING,P3,O9,,,,,36453,bmst000292,1
11,covalent,SING,P3,O10,,,,,36453,bmst000292,1
12,covalent,DOUB,P3,O16,,,,,36453,bmst000292,1
13,covalent,SING,O6,C21,,,,,36453,bmst000292,1
14,covalent,SING,O7,H30,,,,,36453,bmst000292,1
15,covalent,SING,O8,H31,,,,,36453,bmst000292,1
16,covalent,SING,O9,H33,,,,,36453,bmst000292,1
17,covalent,SING,O10,H32,,,,,36453,bmst000292,1
18,covalent,SING,C24,O11,,,,,36453,bmst000292,1
19,covalent,SING,O11,H34,,,,,36453,bmst000292,1
20,covalent,SING,C25,O12,,,,,36453,bmst000292,1
21,covalent,SING,O12,H35,,,,,36453,bmst000292,1
22,covalent,SING,O13,C22,,,,,36453,bmst000292,1
23,covalent,SING,O13,C23,,,,,36453,bmst000292,1
24,covalent,DOUB,O17,C26,,,,,36453,bmst000292,1
25,covalent,DOUB,O18,C27,,,,,36453,bmst000292,1
26,covalent,SING,C22,N19,,,,,36453,bmst000292,1
27,covalent,SING,N19,C26,,,,,36453,bmst000292,1
28,covalent,SING,N19,C28,,,,,36453,bmst000292,1
29,covalent,SING,N20,C26,,,,,36453,bmst000292,1
30,covalent,SING,N20,C27,,,,,36453,bmst000292,1
31,covalent,SING,N20,H36,,,,,36453,bmst000292,1
32,covalent,SING,C23,C21,,,,,36453,bmst000292,1
33,covalent,SING,C21,H37,,,,,36453,bmst000292,1
34,covalent,SING,C21,H38,,,,,36453,bmst000292,1
35,covalent,SING,C22,C24,,,,,36453,bmst000292,1
36,covalent,SING,C22,H39,,,,,36453,bmst000292,1
37,covalent,SING,C23,C25,,,,,36453,bmst000292,1
38,covalent,SING,C23,H40,,,,,36453,bmst000292,1
39,covalent,SING,C24,C25,,,,,36453,bmst000292,1
40,covalent,SING,C24,H41,,,,,36453,bmst000292,1
41,covalent,SING,C25,H42,,,,,36453,bmst000292,1
42,covalent,SING,C27,C29,,,,,36453,bmst000292,1
43,covalent,DOUB,C28,C29,,,,,36453,bmst000292,1
44,covalent,SING,C28,H43,,,,,36453,bmst000292,1
45,covalent,SING,C29,H44,,,,,36453,bmst000292,1
1,covalent,SING,O1,C5,,,,,36463,bmst000293,1
2,covalent,SING,O1,H11,,,,,36463,bmst000293,1
3,covalent,DOUB,O2,C5,,,,,36463,bmst000293,1
4,covalent,SING,N3,C8,,,,,36463,bmst000293,1
5,covalent,SING,N3,C9,,,,,36463,bmst000293,1
6,covalent,SING,N3,H12,,,,,36463,bmst000293,1
7,covalent,DOUB,N4,C9,,,,,36463,bmst000293,1
8,covalent,SING,N4,C10,,,,,36463,bmst000293,1
9,covalent,SING,C5,C6,,,,,36463,bmst000293,1
10,covalent,DOUB,C6,C7,,,,,36463,bmst000293,1
11,covalent,SING,C6,H13,,,,,36463,bmst000293,1
12,covalent,SING,C7,C8,,,,,36463,bmst000293,1
13,covalent,SING,C7,H14,,,,,36463,bmst000293,1
14,covalent,DOUB,C8,C10,,,,,36463,bmst000293,1
15,covalent,SING,C9,H15,,,,,36463,bmst000293,1
16,covalent,SING,C10,H16,,,,,36463,bmst000293,1
1,covalent,SING,N1,C2,,,,,36473,bmst000294,1
2,covalent,SING,N1,H10,,,,,36473,bmst000294,1
3,covalent,SING,N1,H11,,,,,36473,bmst000294,1
4,covalent,SING,C2,C3,,,,,36473,bmst000294,1
5,covalent,SING,C2,H12,,,,,36473,bmst000294,1
6,covalent,SING,C2,H13,,,,,36473,bmst000294,1
7,covalent,SING,C3,C4,,,,,36473,bmst000294,1
8,covalent,SING,C3,H14,,,,,36473,bmst000294,1
9,covalent,SING,C3,H15,,,,,36473,bmst000294,1
10,covalent,SING,C4,C5,,,,,36473,bmst000294,1
11,covalent,SING,C4,H16,,,,,36473,bmst000294,1
12,covalent,SING,C4,H17,,,,,36473,bmst000294,1
13,covalent,SING,C5,N6,,,,,36473,bmst000294,1
14,covalent,SING,C5,H18,,,,,36473,bmst000294,1
15,covalent,SING,C5,H19,,,,,36473,bmst000294,1
16,covalent,DOUB,N6,C7,,,,,36473,bmst000294,1
17,covalent,SING,C7,N8,,,,,36473,bmst000294,1
18,covalent,SING,C7,N9,,,,,36473,bmst000294,1
19,covalent,SING,N8,H20,,,,,36473,bmst000294,1
20,covalent,SING,N8,H21,,,,,36473,bmst000294,1
21,covalent,SING,N9,H22,,,,,36473,bmst000294,1
22,covalent,SING,N9,H23,,,,,36473,bmst000294,1
1,covalent,SING,C1,C2,,,,,36483,bmst000295,1
2,covalent,SING,C1,O7,,,,,36483,bmst000295,1
3,covalent,SING,C1,O11,,,,,36483,bmst000295,1
4,covalent,SING,C1,H17,,,,,36483,bmst000295,1
5,covalent,SING,C2,C3,,,,,36483,bmst000295,1
6,covalent,SING,C2,O8,,,,,36483,bmst000295,1
7,covalent,SING,C2,H18,,,,,36483,bmst000295,1
8,covalent,SING,C3,C4,,,,,36483,bmst000295,1
9,covalent,SING,C3,O9,,,,,36483,bmst000295,1
10,covalent,SING,C3,H19,,,,,36483,bmst000295,1
11,covalent,SING,C4,C5,,,,,36483,bmst000295,1
12,covalent,SING,C4,O10,,,,,36483,bmst000295,1
13,covalent,SING,C4,H20,,,,,36483,bmst000295,1
14,covalent,SING,C5,C6,,,,,36483,bmst000295,1
15,covalent,SING,C5,O11,,,,,36483,bmst000295,1
16,covalent,SING,C5,H21,,,,,36483,bmst000295,1
17,covalent,SING,C6,O12,,,,,36483,bmst000295,1
18,covalent,SING,C6,H22,,,,,36483,bmst000295,1
19,covalent,SING,C6,H23,,,,,36483,bmst000295,1
20,covalent,SING,O7,P13,,,,,36483,bmst000295,1
21,covalent,SING,O8,H24,,,,,36483,bmst000295,1
22,covalent,SING,O9,H25,,,,,36483,bmst000295,1
23,covalent,SING,O10,H26,,,,,36483,bmst000295,1
24,covalent,SING,O12,H27,,,,,36483,bmst000295,1
25,covalent,DOUB,P13,O14,,,,,36483,bmst000295,1
26,covalent,SING,P13,O15,,,,,36483,bmst000295,1
27,covalent,SING,P13,O16,,,,,36483,bmst000295,1
28,covalent,SING,O15,H28,,,,,36483,bmst000295,1
29,covalent,SING,O16,H29,,,,,36483,bmst000295,1
1,covalent,SING,C1,C2,,,,,36493,bmst000296,1
2,covalent,SING,C1,O7,,,,,36493,bmst000296,1
3,covalent,SING,C1,O11,,,,,36493,bmst000296,1
4,covalent,SING,C1,H21,,,,,36493,bmst000296,1
5,covalent,SING,C2,C3,,,,,36493,bmst000296,1
6,covalent,SING,C2,O8,,,,,36493,bmst000296,1
7,covalent,SING,C2,H22,,,,,36493,bmst000296,1
8,covalent,SING,C3,C4,,,,,36493,bmst000296,1
9,covalent,SING,C3,O9,,,,,36493,bmst000296,1
10,covalent,SING,C3,H23,,,,,36493,bmst000296,1
11,covalent,SING,C4,C5,,,,,36493,bmst000296,1
12,covalent,SING,C4,O10,,,,,36493,bmst000296,1
13,covalent,SING,C4,H24,,,,,36493,bmst000296,1
14,covalent,SING,C5,C6,,,,,36493,bmst000296,1
15,covalent,SING,C5,O11,,,,,36493,bmst000296,1
16,covalent,SING,C5,H25,,,,,36493,bmst000296,1
17,covalent,SING,C6,O12,,,,,36493,bmst000296,1
18,covalent,SING,C6,H26,,,,,36493,bmst000296,1
19,covalent,SING,C6,H27,,,,,36493,bmst000296,1
20,covalent,SING,O7,P17,,,,,36493,bmst000296,1
21,covalent,SING,O8,H28,,,,,36493,bmst000296,1
22,covalent,SING,O9,H29,,,,,36493,bmst000296,1
23,covalent,SING,O10,H30,,,,,36493,bmst000296,1
24,covalent,SING,O12,P13,,,,,36493,bmst000296,1
25,covalent,SING,P13,O14,,,,,36493,bmst000296,1
26,covalent,DOUB,P13,O15,,,,,36493,bmst000296,1
27,covalent,SING,P13,O16,,,,,36493,bmst000296,1
28,covalent,SING,O14,H31,,,,,36493,bmst000296,1
29,covalent,SING,O16,H32,,,,,36493,bmst000296,1
30,covalent,SING,P17,O18,,,,,36493,bmst000296,1
31,covalent,SING,P17,O19,,,,,36493,bmst000296,1
32,covalent,DOUB,P17,O20,,,,,36493,bmst000296,1
33,covalent,SING,O18,H33,,,,,36493,bmst000296,1
34,covalent,SING,O19,H34,,,,,36493,bmst000296,1
1,covalent,SING,C1,C2,,,,,36503,bmst000297,1
2,covalent,SING,C1,O7,,,,,36503,bmst000297,1
3,covalent,SING,C1,O11,,,,,36503,bmst000297,1
4,covalent,SING,C1,H17,,,,,36503,bmst000297,1
5,covalent,SING,C2,C3,,,,,36503,bmst000297,1
6,covalent,SING,C2,O8,,,,,36503,bmst000297,1
7,covalent,SING,C2,H18,,,,,36503,bmst000297,1
8,covalent,SING,C3,C4,,,,,36503,bmst000297,1
9,covalent,SING,C3,O9,,,,,36503,bmst000297,1
10,covalent,SING,C3,H19,,,,,36503,bmst000297,1
11,covalent,SING,C4,C5,,,,,36503,bmst000297,1
12,covalent,SING,C4,O10,,,,,36503,bmst000297,1
13,covalent,SING,C4,H20,,,,,36503,bmst000297,1
14,covalent,SING,C5,C6,,,,,36503,bmst000297,1
15,covalent,SING,C5,O11,,,,,36503,bmst000297,1
16,covalent,SING,C5,H21,,,,,36503,bmst000297,1
17,covalent,SING,C6,O12,,,,,36503,bmst000297,1
18,covalent,SING,C6,H22,,,,,36503,bmst000297,1
19,covalent,SING,C6,H23,,,,,36503,bmst000297,1
20,covalent,SING,O7,P13,,,,,36503,bmst000297,1
21,covalent,SING,O8,H24,,,,,36503,bmst000297,1
22,covalent,SING,O9,H25,,,,,36503,bmst000297,1
23,covalent,SING,O10,H26,,,,,36503,bmst000297,1
24,covalent,SING,O12,H27,,,,,36503,bmst000297,1
25,covalent,DOUB,P13,O14,,,,,36503,bmst000297,1
26,covalent,SING,P13,O15,,,,,36503,bmst000297,1
27,covalent,SING,P13,O16,,,,,36503,bmst000297,1
28,covalent,SING,O15,H28,,,,,36503,bmst000297,1
29,covalent,SING,O16,H29,,,,,36503,bmst000297,1
1,covalent,SING,C1,C2,,,,,36513,bmst000298,1
2,covalent,DOUB,C1,O4,,,,,36513,bmst000298,1
3,covalent,SING,C1,O9,,,,,36513,bmst000298,1
4,covalent,DOUB,C2,O6,,,,,36513,bmst000298,1
5,covalent,SING,C2,C7,,,,,36513,bmst000298,1
6,covalent,DOUB,C3,O5,,,,,36513,bmst000298,1
7,covalent,SING,C3,C8,,,,,36513,bmst000298,1
8,covalent,SING,C3,O10,,,,,36513,bmst000298,1
9,covalent,SING,C7,C8,,,,,36513,bmst000298,1
10,covalent,SING,C7,H11,,,,,36513,bmst000298,1
11,covalent,SING,C7,H12,,,,,36513,bmst000298,1
12,covalent,SING,C8,H13,,,,,36513,bmst000298,1
13,covalent,SING,C8,H14,,,,,36513,bmst000298,1
14,covalent,SING,O9,H15,,,,,36513,bmst000298,1
15,covalent,SING,O10,H16,,,,,36513,bmst000298,1
1,covalent,SING,H1,O14,,,,,36523,bmst000299,1
2,covalent,DOUB,C2,C3,,,,,36523,bmst000299,1
3,covalent,SING,C2,C5,,,,,36523,bmst000299,1
4,covalent,SING,C2,H15,,,,,36523,bmst000299,1
5,covalent,SING,C3,C6,,,,,36523,bmst000299,1
6,covalent,SING,C3,H16,,,,,36523,bmst000299,1
7,covalent,DOUB,C4,C7,,,,,36523,bmst000299,1
8,covalent,SING,C4,C8,,,,,36523,bmst000299,1
9,covalent,SING,C4,H17,,,,,36523,bmst000299,1
10,covalent,DOUB,C5,C9,,,,,36523,bmst000299,1
11,covalent,SING,C5,H18,,,,,36523,bmst000299,1
12,covalent,DOUB,C6,C10,,,,,36523,bmst000299,1
13,covalent,SING,C6,H19,,,,,36523,bmst000299,1
14,covalent,SING,C7,C9,,,,,36523,bmst000299,1
15,covalent,SING,C7,H20,,,,,36523,bmst000299,1
16,covalent,DOUB,C8,C11,,,,,36523,bmst000299,1
17,covalent,SING,C8,H21,,,,,36523,bmst000299,1
18,covalent,SING,C9,C10,,,,,36523,bmst000299,1
19,covalent,SING,C10,C11,,,,,36523,bmst000299,1
20,covalent,SING,C11,C12,,,,,36523,bmst000299,1
21,covalent,DOUB,C12,O13,,,,,36523,bmst000299,1
22,covalent,SING,C12,O14,,,,,36523,bmst000299,1
1,covalent,DOUB,C1,C2,,,,,36533,bmst000300,1
2,covalent,SING,C1,C3,,,,,36533,bmst000300,1
3,covalent,SING,C1,H33,,,,,36533,bmst000300,1
4,covalent,SING,C2,C4,,,,,36533,bmst000300,1
5,covalent,SING,C2,H34,,,,,36533,bmst000300,1
6,covalent,DOUB,C3,C5,,,,,36533,bmst000300,1
7,covalent,SING,C3,H35,,,,,36533,bmst000300,1
8,covalent,DOUB,C4,C9,,,,,36533,bmst000300,1
9,covalent,SING,C4,H36,,,,,36533,bmst000300,1
10,covalent,SING,C5,C9,,,,,36533,bmst000300,1
11,covalent,SING,C5,H37,,,,,36533,bmst000300,1
12,covalent,SING,C10,C6,,,,,36533,bmst000300,1
13,covalent,SING,C6,O22,,,,,36533,bmst000300,1
14,covalent,SING,C6,H38,,,,,36533,bmst000300,1
15,covalent,SING,C6,H39,,,,,36533,bmst000300,1
16,covalent,SING,C11,C7,,,,,36533,bmst000300,1
17,covalent,SING,C7,O31,,,,,36533,bmst000300,1
18,covalent,SING,C7,H40,,,,,36533,bmst000300,1
19,covalent,SING,C7,H41,,,,,36533,bmst000300,1
20,covalent,SING,C8,C20,,,,,36533,bmst000300,1
21,covalent,TRIP,C8,N21,,,,,36533,bmst000300,1
22,covalent,SING,C20,C9,,,,,36533,bmst000300,1
23,covalent,SING,C10,C12,,,,,36533,bmst000300,1
24,covalent,SING,C10,O29,,,,,36533,bmst000300,1
25,covalent,SING,C10,H42,,,,,36533,bmst000300,1
26,covalent,SING,C11,C13,,,,,36533,bmst000300,1
27,covalent,SING,C11,O30,,,,,36533,bmst000300,1
28,covalent,SING,C11,H43,,,,,36533,bmst000300,1
29,covalent,SING,C12,C14,,,,,36533,bmst000300,1
30,covalent,SING,C12,O23,,,,,36533,bmst000300,1
31,covalent,SING,C12,H44,,,,,36533,bmst000300,1
32,covalent,SING,C13,C15,,,,,36533,bmst000300,1
33,covalent,SING,C13,O24,,,,,36533,bmst000300,1
34,covalent,SING,C13,H45,,,,,36533,bmst000300,1
35,covalent,SING,C14,C16,,,,,36533,bmst000300,1
36,covalent,SING,C14,O25,,,,,36533,bmst000300,1
37,covalent,SING,C14,H46,,,,,36533,bmst000300,1
38,covalent,SING,C15,C17,,,,,36533,bmst000300,1
39,covalent,SING,C15,O26,,,,,36533,bmst000300,1
40,covalent,SING,C15,H47,,,,,36533,bmst000300,1
41,covalent,SING,C16,C18,,,,,36533,bmst000300,1
42,covalent,SING,C16,O27,,,,,36533,bmst000300,1
43,covalent,SING,C16,H48,,,,,36533,bmst000300,1
44,covalent,SING,C17,C19,,,,,36533,bmst000300,1
45,covalent,SING,C17,O28,,,,,36533,bmst000300,1
46,covalent,SING,C17,H49,,,,,36533,bmst000300,1
47,covalent,SING,C18,O29,,,,,36533,bmst000300,1
48,covalent,SING,C18,O31,,,,,36533,bmst000300,1
49,covalent,SING,C18,H50,,,,,36533,bmst000300,1
50,covalent,SING,C19,O30,,,,,36533,bmst000300,1
51,covalent,SING,C19,O32,,,,,36533,bmst000300,1
52,covalent,SING,C19,H51,,,,,36533,bmst000300,1
53,covalent,SING,C20,O32,,,,,36533,bmst000300,1
54,covalent,SING,C20,H52,,,,,36533,bmst000300,1
55,covalent,SING,O22,H53,,,,,36533,bmst000300,1
56,covalent,SING,O23,H54,,,,,36533,bmst000300,1
57,covalent,SING,O24,H55,,,,,36533,bmst000300,1
58,covalent,SING,O25,H56,,,,,36533,bmst000300,1
59,covalent,SING,O26,H57,,,,,36533,bmst000300,1
60,covalent,SING,O27,H58,,,,,36533,bmst000300,1
61,covalent,SING,O28,H59,,,,,36533,bmst000300,1
1,covalent,SING,C1,C2,,,,,36543,bmst000301,1
2,covalent,DOUB,C1,O3,,,,,36543,bmst000301,1
3,covalent,SING,C1,O4,,,,,36543,bmst000301,1
4,covalent,SING,C2,C6,,,,,36543,bmst000301,1
5,covalent,SING,C2,H7,,,,,36543,bmst000301,1
6,covalent,SING,C2,H8,,,,,36543,bmst000301,1
7,covalent,SING,O4,H9,,,,,36543,bmst000301,1
8,covalent,SING,N5,C6,,,,,36543,bmst000301,1
9,covalent,SING,N5,H10,,,,,36543,bmst000301,1
10,covalent,SING,N5,H11,,,,,36543,bmst000301,1
11,covalent,SING,C6,H12,,,,,36543,bmst000301,1
12,covalent,SING,C6,H13,,,,,36543,bmst000301,1
1,covalent,DOUB,O1,C2,,,,,36553,bmst000302,1
2,covalent,SING,C2,C3,,,,,36553,bmst000302,1
3,covalent,SING,C2,H8,,,,,36553,bmst000302,1
4,covalent,SING,C3,N4,,,,,36553,bmst000302,1
5,covalent,SING,C3,H9,,,,,36553,bmst000302,1
6,covalent,SING,C3,H10,,,,,36553,bmst000302,1
7,covalent,SING,N4,C5,,,,,36553,bmst000302,1
8,covalent,SING,N4,C6,,,,,36553,bmst000302,1
9,covalent,SING,N4,C7,,,,,36553,bmst000302,1
10,covalent,SING,C5,H11,,,,,36553,bmst000302,1
11,covalent,SING,C5,H12,,,,,36553,bmst000302,1
12,covalent,SING,C5,H13,,,,,36553,bmst000302,1
13,covalent,SING,C6,H14,,,,,36553,bmst000302,1
14,covalent,SING,C6,H15,,,,,36553,bmst000302,1
15,covalent,SING,C6,H16,,,,,36553,bmst000302,1
16,covalent,SING,C7,H17,,,,,36553,bmst000302,1
17,covalent,SING,C7,H18,,,,,36553,bmst000302,1
18,covalent,SING,C7,H19,,,,,36553,bmst000302,1
1,covalent,DOUB,C1,O2,,,,,36563,bmst000303,1
2,covalent,SING,C1,O3,,,,,36563,bmst000303,1
3,covalent,SING,C1,C4,,,,,36563,bmst000303,1
4,covalent,SING,O3,H32,,,,,36563,bmst000303,1
5,covalent,SING,C4,C5,,,,,36563,bmst000303,1
6,covalent,SING,C4,H17,,,,,36563,bmst000303,1
7,covalent,SING,C4,H18,,,,,36563,bmst000303,1
8,covalent,SING,C5,C6,,,,,36563,bmst000303,1
9,covalent,SING,C5,H19,,,,,36563,bmst000303,1
10,covalent,SING,C5,H20,,,,,36563,bmst000303,1
11,covalent,SING,C6,C7,,,,,36563,bmst000303,1
12,covalent,SING,C6,H21,,,,,36563,bmst000303,1
13,covalent,SING,C6,H22,,,,,36563,bmst000303,1
14,covalent,SING,C8,C7,,,,,36563,bmst000303,1
15,covalent,SING,C7,H23,,,,,36563,bmst000303,1
16,covalent,SING,C7,H24,,,,,36563,bmst000303,1
17,covalent,SING,C8,S9,,,,,36563,bmst000303,1
18,covalent,SING,C8,C16,,,,,36563,bmst000303,1
19,covalent,SING,C8,H25,,,,,36563,bmst000303,1
20,covalent,SING,S9,C10,,,,,36563,bmst000303,1
21,covalent,SING,C10,C11,,,,,36563,bmst000303,1
22,covalent,SING,C10,H26,,,,,36563,bmst000303,1
23,covalent,SING,C10,H27,,,,,36563,bmst000303,1
24,covalent,SING,C11,N12,,,,,36563,bmst000303,1
25,covalent,SING,C11,C16,,,,,36563,bmst000303,1
26,covalent,SING,C11,H28,,,,,36563,bmst000303,1
27,covalent,SING,N12,C13,,,,,36563,bmst000303,1
28,covalent,SING,N12,H29,,,,,36563,bmst000303,1
29,covalent,DOUB,C13,O14,,,,,36563,bmst000303,1
30,covalent,SING,C13,N15,,,,,36563,bmst000303,1
31,covalent,SING,N15,C16,,,,,36563,bmst000303,1
32,covalent,SING,N15,H30,,,,,36563,bmst000303,1
33,covalent,SING,C16,H31,,,,,36563,bmst000303,1
1,covalent,DOUB,C1,C2,,,,,36573,bmst000304,1
2,covalent,SING,C1,C3,,,,,36573,bmst000304,1
3,covalent,SING,C1,C11,,,,,36573,bmst000304,1
4,covalent,SING,C2,C7,,,,,36573,bmst000304,1
5,covalent,SING,C2,H12,,,,,36573,bmst000304,1
6,covalent,DOUB,C3,O4,,,,,36573,bmst000304,1
7,covalent,SING,C3,O5,,,,,36573,bmst000304,1
8,covalent,SING,O5,H6,,,,,36573,bmst000304,1
9,covalent,DOUB,C7,O8,,,,,36573,bmst000304,1
10,covalent,SING,C7,O9,,,,,36573,bmst000304,1
11,covalent,SING,O9,H10,,,,,36573,bmst000304,1
12,covalent,SING,C11,H13,,,,,36573,bmst000304,1
13,covalent,SING,C11,H14,,,,,36573,bmst000304,1
14,covalent,SING,C11,H15,,,,,36573,bmst000304,1
1,covalent,DOUB,O1,P2,,,,,36583,bmst000305,1
2,covalent,SING,P2,N3,,,,,36583,bmst000305,1
3,covalent,SING,P2,O9,,,,,36583,bmst000305,1
4,covalent,SING,P2,O10,,,,,36583,bmst000305,1
5,covalent,DOUB,N3,C4,,,,,36583,bmst000305,1
6,covalent,SING,C4,N5,,,,,36583,bmst000305,1
7,covalent,SING,C4,N11,,,,,36583,bmst000305,1
8,covalent,SING,N5,C6,,,,,36583,bmst000305,1
9,covalent,SING,N5,C12,,,,,36583,bmst000305,1
10,covalent,SING,C6,C7,,,,,36583,bmst000305,1
11,covalent,SING,C6,H14,,,,,36583,bmst000305,1
12,covalent,SING,C6,H15,,,,,36583,bmst000305,1
13,covalent,DOUB,C7,O8,,,,,36583,bmst000305,1
14,covalent,SING,C7,O13,,,,,36583,bmst000305,1
15,covalent,SING,O9,H16,,,,,36583,bmst000305,1
16,covalent,SING,O10,H17,,,,,36583,bmst000305,1
17,covalent,SING,N11,H18,,,,,36583,bmst000305,1
18,covalent,SING,N11,H19,,,,,36583,bmst000305,1
19,covalent,SING,C12,H20,,,,,36583,bmst000305,1
20,covalent,SING,C12,H21,,,,,36583,bmst000305,1
21,covalent,SING,C12,H22,,,,,36583,bmst000305,1
22,covalent,SING,O13,H23,,,,,36583,bmst000305,1
1,covalent,SING,C1,N7,,,,,36593,bmst000306,1
2,covalent,SING,C1,H9,,,,,36593,bmst000306,1
3,covalent,SING,C1,H10,,,,,36593,bmst000306,1
4,covalent,SING,C1,H11,,,,,36593,bmst000306,1
5,covalent,SING,C2,C3,,,,,36593,bmst000306,1
6,covalent,SING,C2,N7,,,,,36593,bmst000306,1
7,covalent,SING,C2,H12,,,,,36593,bmst000306,1
8,covalent,SING,C2,H13,,,,,36593,bmst000306,1
9,covalent,SING,C3,N6,,,,,36593,bmst000306,1
10,covalent,DOUB,C3,O8,,,,,36593,bmst000306,1
11,covalent,SING,C4,N5,,,,,36593,bmst000306,1
12,covalent,DOUB,C4,N6,,,,,36593,bmst000306,1
13,covalent,SING,C4,N7,,,,,36593,bmst000306,1
14,covalent,SING,N5,H14,,,,,36593,bmst000306,1
15,covalent,SING,N5,H15,,,,,36593,bmst000306,1
1,covalent,DOUB,C1,N4,,,,,36603,bmst000307,1
2,covalent,SING,C1,N5,,,,,36603,bmst000307,1
3,covalent,SING,C1,O7,,,,,36603,bmst000307,1
4,covalent,SING,C2,N4,,,,,36603,bmst000307,1
5,covalent,DOUB,C2,N6,,,,,36603,bmst000307,1
6,covalent,SING,C2,O8,,,,,36603,bmst000307,1
7,covalent,DOUB,C3,N5,,,,,36603,bmst000307,1
8,covalent,SING,C3,N6,,,,,36603,bmst000307,1
9,covalent,SING,C3,O9,,,,,36603,bmst000307,1
10,covalent,SING,O7,H10,,,,,36603,bmst000307,1
11,covalent,SING,O8,H11,,,,,36603,bmst000307,1
12,covalent,SING,O9,H12,,,,,36603,bmst000307,1
1,covalent,SING,C1,C2,,,,,36613,bmst000308,1
2,covalent,SING,C1,H14,,,,,36613,bmst000308,1
3,covalent,SING,C1,H15,,,,,36613,bmst000308,1
4,covalent,SING,C1,H16,,,,,36613,bmst000308,1
5,covalent,SING,C2,O3,,,,,36613,bmst000308,1
6,covalent,SING,C2,H17,,,,,36613,bmst000308,1
7,covalent,SING,C2,H18,,,,,36613,bmst000308,1
8,covalent,SING,O3,C4,,,,,36613,bmst000308,1
9,covalent,DOUB,C4,O5,,,,,36613,bmst000308,1
10,covalent,SING,C4,C6,,,,,36613,bmst000308,1
11,covalent,SING,C6,C7,,,,,36613,bmst000308,1
12,covalent,SING,C6,H19,,,,,36613,bmst000308,1
13,covalent,SING,C6,H20,,,,,36613,bmst000308,1
14,covalent,DOUB,C7,O8,,,,,36613,bmst000308,1
15,covalent,SING,C7,C9,,,,,36613,bmst000308,1
16,covalent,DOUB,C9,O10,,,,,36613,bmst000308,1
17,covalent,SING,C9,O11,,,,,36613,bmst000308,1
18,covalent,SING,O11,C12,,,,,36613,bmst000308,1
19,covalent,SING,C12,C13,,,,,36613,bmst000308,1
20,covalent,SING,C12,H21,,,,,36613,bmst000308,1
21,covalent,SING,C12,H22,,,,,36613,bmst000308,1
22,covalent,SING,C13,H23,,,,,36613,bmst000308,1
23,covalent,SING,C13,H24,,,,,36613,bmst000308,1
24,covalent,SING,C13,H25,,,,,36613,bmst000308,1
1,covalent,SING,C1,O2,,,,,36623,bmst000309,1
2,covalent,SING,C1,C3,,,,,36623,bmst000309,1
3,covalent,SING,C1,H7,,,,,36623,bmst000309,1
4,covalent,SING,C1,H8,,,,,36623,bmst000309,1
5,covalent,SING,O2,H9,,,,,36623,bmst000309,1
6,covalent,DOUB,C3,O4,,,,,36623,bmst000309,1
7,covalent,SING,C3,C5,,,,,36623,bmst000309,1
8,covalent,SING,C5,O6,,,,,36623,bmst000309,1
9,covalent,SING,C5,H10,,,,,36623,bmst000309,1
10,covalent,SING,C5,H11,,,,,36623,bmst000309,1
11,covalent,SING,O6,H12,,,,,36623,bmst000309,1
1,covalent,SING,C1,C5,,,,,36633,bmst000310,1
2,covalent,SING,C1,H20,,,,,36633,bmst000310,1
3,covalent,SING,C1,H21,,,,,36633,bmst000310,1
4,covalent,SING,C1,H22,,,,,36633,bmst000310,1
5,covalent,DOUB,C2,C11,,,,,36633,bmst000310,1
6,covalent,SING,C2,H23,,,,,36633,bmst000310,1
7,covalent,SING,C2,H24,,,,,36633,bmst000310,1
8,covalent,DOUB,C3,C4,,,,,36633,bmst000310,1
9,covalent,SING,C3,C7,,,,,36633,bmst000310,1
10,covalent,SING,C3,H25,,,,,36633,bmst000310,1
11,covalent,SING,C4,C8,,,,,36633,bmst000310,1
12,covalent,SING,C4,H26,,,,,36633,bmst000310,1
13,covalent,SING,C5,C11,,,,,36633,bmst000310,1
14,covalent,SING,C5,H27,,,,,36633,bmst000310,1
15,covalent,SING,C5,H28,,,,,36633,bmst000310,1
16,covalent,SING,C6,C12,,,,,36633,bmst000310,1
17,covalent,SING,C6,O17,,,,,36633,bmst000310,1
18,covalent,SING,C6,H29,,,,,36633,bmst000310,1
19,covalent,SING,C6,H30,,,,,36633,bmst000310,1
20,covalent,DOUB,C7,C9,,,,,36633,bmst000310,1
21,covalent,SING,C7,C13,,,,,36633,bmst000310,1
22,covalent,DOUB,C8,C10,,,,,36633,bmst000310,1
23,covalent,SING,C8,O17,,,,,36633,bmst000310,1
24,covalent,SING,C9,C10,,,,,36633,bmst000310,1
25,covalent,SING,C9,Cl18,,,,,36633,bmst000310,1
26,covalent,SING,C10,Cl19,,,,,36633,bmst000310,1
27,covalent,SING,C11,C13,,,,,36633,bmst000310,1
28,covalent,SING,C12,O14,,,,,36633,bmst000310,1
29,covalent,DOUB,C12,O15,,,,,36633,bmst000310,1
30,covalent,DOUB,C13,O16,,,,,36633,bmst000310,1
31,covalent,SING,O14,H31,,,,,36633,bmst000310,1
1,covalent,DOUB,C1,O2,,,,,36643,bmst000311,1
2,covalent,SING,C1,O3,,,,,36643,bmst000311,1
3,covalent,SING,C1,H4,,,,,36643,bmst000311,1
4,covalent,SING,O3,H5,,,,,36643,bmst000311,1
1,covalent,SING,C1,C2,,,,,36653,bmst000312,1
2,covalent,SING,C1,O3,,,,,36653,bmst000312,1
3,covalent,SING,C1,C4,,,,,36653,bmst000312,1
4,covalent,SING,C1,H13,,,,,36653,bmst000312,1
5,covalent,SING,C2,C5,,,,,36653,bmst000312,1
6,covalent,SING,C2,O6,,,,,36653,bmst000312,1
7,covalent,SING,C2,H14,,,,,36653,bmst000312,1
8,covalent,SING,O3,C7,,,,,36653,bmst000312,1
9,covalent,SING,C4,C8,,,,,36653,bmst000312,1
10,covalent,SING,C4,O9,,,,,36653,bmst000312,1
11,covalent,SING,C4,H15,,,,,36653,bmst000312,1
12,covalent,SING,C5,C7,,,,,36653,bmst000312,1
13,covalent,SING,C5,O10,,,,,36653,bmst000312,1
14,covalent,SING,C5,H16,,,,,36653,bmst000312,1
15,covalent,SING,O6,H17,,,,,36653,bmst000312,1
16,covalent,DOUB,C7,O11,,,,,36653,bmst000312,1
17,covalent,SING,C8,O12,,,,,36653,bmst000312,1
18,covalent,SING,C8,H18,,,,,36653,bmst000312,1
19,covalent,SING,C8,H19,,,,,36653,bmst000312,1
20,covalent,SING,O9,H20,,,,,36653,bmst000312,1
21,covalent,SING,O10,H21,,,,,36653,bmst000312,1
22,covalent,SING,O12,H22,,,,,36653,bmst000312,1
1,covalent,SING,C1,O2,,,,,36663,bmst000313,1
2,covalent,SING,C1,C5,,,,,36663,bmst000313,1
3,covalent,SING,C1,C6,,,,,36663,bmst000313,1
4,covalent,SING,C1,H7,,,,,36663,bmst000313,1
5,covalent,SING,O2,H8,,,,,36663,bmst000313,1
6,covalent,SING,O3,C6,,,,,36663,bmst000313,1
7,covalent,SING,O3,H9,,,,,36663,bmst000313,1
8,covalent,SING,O4,C5,,,,,36663,bmst000313,1
9,covalent,SING,O4,H10,,,,,36663,bmst000313,1
10,covalent,SING,C5,H11,,,,,36663,bmst000313,1
11,covalent,SING,C5,H12,,,,,36663,bmst000313,1
12,covalent,SING,C6,H13,,,,,36663,bmst000313,1
13,covalent,SING,C6,H14,,,,,36663,bmst000313,1
1,covalent,SING,C1,C2,,,,,36673,bmst000314,1
2,covalent,SING,C1,O3,,,,,36673,bmst000314,1
3,covalent,SING,C1,C4,,,,,36673,bmst000314,1
4,covalent,SING,C1,H46,,,,,36673,bmst000314,1
5,covalent,SING,C2,O5,,,,,36673,bmst000314,1
6,covalent,SING,C2,C6,,,,,36673,bmst000314,1
7,covalent,SING,C2,H47,,,,,36673,bmst000314,1
8,covalent,SING,O3,C7,,,,,36673,bmst000314,1
9,covalent,SING,C4,C8,,,,,36673,bmst000314,1
10,covalent,SING,C4,O9,,,,,36673,bmst000314,1
11,covalent,SING,C4,H48,,,,,36673,bmst000314,1
12,covalent,SING,O5,C10,,,,,36673,bmst000314,1
13,covalent,SING,C6,O11,,,,,36673,bmst000314,1
14,covalent,SING,C6,H49,,,,,36673,bmst000314,1
15,covalent,SING,C6,H50,,,,,36673,bmst000314,1
16,covalent,SING,C7,O12,,,,,36673,bmst000314,1
17,covalent,SING,C7,C13,,,,,36673,bmst000314,1
18,covalent,SING,C7,H51,,,,,36673,bmst000314,1
19,covalent,SING,C8,C10,,,,,36673,bmst000314,1
20,covalent,SING,C8,O14,,,,,36673,bmst000314,1
21,covalent,SING,C8,H52,,,,,36673,bmst000314,1
22,covalent,SING,O9,H53,,,,,36673,bmst000314,1
23,covalent,SING,C10,O15,,,,,36673,bmst000314,1
24,covalent,SING,C10,H54,,,,,36673,bmst000314,1
25,covalent,SING,C16,O11,,,,,36673,bmst000314,1
26,covalent,SING,O12,C17,,,,,36673,bmst000314,1
27,covalent,SING,C13,C18,,,,,36673,bmst000314,1
28,covalent,SING,C13,O19,,,,,36673,bmst000314,1
29,covalent,SING,C13,H55,,,,,36673,bmst000314,1
30,covalent,SING,O14,H56,,,,,36673,bmst000314,1
31,covalent,SING,O15,C20,,,,,36673,bmst000314,1
32,covalent,SING,C16,O21,,,,,36673,bmst000314,1
33,covalent,SING,C16,C22,,,,,36673,bmst000314,1
34,covalent,SING,C16,H57,,,,,36673,bmst000314,1
35,covalent,SING,C17,C23,,,,,36673,bmst000314,1
36,covalent,SING,C17,C24,,,,,36673,bmst000314,1
37,covalent,SING,C17,H58,,,,,36673,bmst000314,1
38,covalent,SING,C18,C23,,,,,36673,bmst000314,1
39,covalent,SING,C18,O25,,,,,36673,bmst000314,1
40,covalent,SING,C18,H59,,,,,36673,bmst000314,1
41,covalent,SING,O19,H60,,,,,36673,bmst000314,1
42,covalent,SING,C20,C26,,,,,36673,bmst000314,1
43,covalent,SING,C20,C27,,,,,36673,bmst000314,1
44,covalent,SING,C20,H61,,,,,36673,bmst000314,1
45,covalent,SING,O21,C28,,,,,36673,bmst000314,1
46,covalent,SING,C22,C29,,,,,36673,bmst000314,1
47,covalent,SING,C22,O30,,,,,36673,bmst000314,1
48,covalent,SING,C22,H62,,,,,36673,bmst000314,1
49,covalent,SING,C23,O31,,,,,36673,bmst000314,1
50,covalent,SING,C23,H63,,,,,36673,bmst000314,1
51,covalent,SING,C24,O32,,,,,36673,bmst000314,1
52,covalent,SING,C24,H64,,,,,36673,bmst000314,1
53,covalent,SING,C24,H65,,,,,36673,bmst000314,1
54,covalent,SING,O25,H66,,,,,36673,bmst000314,1
55,covalent,SING,C26,O33,,,,,36673,bmst000314,1
56,covalent,SING,C26,C34,,,,,36673,bmst000314,1
57,covalent,SING,C26,H67,,,,,36673,bmst000314,1
58,covalent,SING,C27,C35,,,,,36673,bmst000314,1
59,covalent,SING,C27,O36,,,,,36673,bmst000314,1
60,covalent,SING,C27,H68,,,,,36673,bmst000314,1
61,covalent,SING,C28,C37,,,,,36673,bmst000314,1
62,covalent,SING,C28,C38,,,,,36673,bmst000314,1
63,covalent,SING,C28,H69,,,,,36673,bmst000314,1
64,covalent,SING,C29,C37,,,,,36673,bmst000314,1
65,covalent,SING,C29,O39,,,,,36673,bmst000314,1
66,covalent,SING,C29,H70,,,,,36673,bmst000314,1
67,covalent,SING,O30,H71,,,,,36673,bmst000314,1
68,covalent,SING,O31,H72,,,,,36673,bmst000314,1
69,covalent,SING,O32,H73,,,,,36673,bmst000314,1
70,covalent,SING,O33,C40,,,,,36673,bmst000314,1
71,covalent,SING,C34,O41,,,,,36673,bmst000314,1
72,covalent,SING,C34,H74,,,,,36673,bmst000314,1
73,covalent,SING,C34,H75,,,,,36673,bmst000314,1
74,covalent,SING,C35,C40,,,,,36673,bmst000314,1
75,covalent,SING,C35,O42,,,,,36673,bmst000314,1
76,covalent,SING,C35,H76,,,,,36673,bmst000314,1
77,covalent,SING,O36,H77,,,,,36673,bmst000314,1
78,covalent,SING,C37,O43,,,,,36673,bmst000314,1
79,covalent,SING,C37,H78,,,,,36673,bmst000314,1
80,covalent,SING,C38,O44,,,,,36673,bmst000314,1
81,covalent,SING,C38,H79,,,,,36673,bmst000314,1
82,covalent,SING,C38,H80,,,,,36673,bmst000314,1
83,covalent,SING,O39,H81,,,,,36673,bmst000314,1
84,covalent,SING,C40,O45,,,,,36673,bmst000314,1
85,covalent,SING,C40,H82,,,,,36673,bmst000314,1
86,covalent,SING,O41,H83,,,,,36673,bmst000314,1
87,covalent,SING,O42,H84,,,,,36673,bmst000314,1
88,covalent,SING,O43,H85,,,,,36673,bmst000314,1
89,covalent,SING,O44,H86,,,,,36673,bmst000314,1
90,covalent,SING,O45,H87,,,,,36673,bmst000314,1
1,covalent,SING,C1,C2,,,,,36683,bmst000315,1
2,covalent,SING,C1,O3,,,,,36683,bmst000315,1
3,covalent,SING,C1,H6,,,,,36683,bmst000315,1
4,covalent,SING,C1,H7,,,,,36683,bmst000315,1
5,covalent,DOUB,C2,O4,,,,,36683,bmst000315,1
6,covalent,SING,C2,O5,,,,,36683,bmst000315,1
7,covalent,SING,O3,H8,,,,,36683,bmst000315,1
8,covalent,SING,O5,H9,,,,,36683,bmst000315,1
1,covalent,DOUB,C1,C2,,,,,36693,bmst000316,1
2,covalent,SING,C1,C5,,,,,36693,bmst000316,1
3,covalent,SING,C1,H13,,,,,36693,bmst000316,1
4,covalent,SING,C2,C6,,,,,36693,bmst000316,1
5,covalent,SING,C2,H14,,,,,36693,bmst000316,1
6,covalent,DOUB,C3,C5,,,,,36693,bmst000316,1
7,covalent,SING,C3,C7,,,,,36693,bmst000316,1
8,covalent,SING,C3,H15,,,,,36693,bmst000316,1
9,covalent,SING,C4,C7,,,,,36693,bmst000316,1
10,covalent,SING,C4,C8,,,,,36693,bmst000316,1
11,covalent,SING,C4,H16,,,,,36693,bmst000316,1
12,covalent,SING,C4,H17,,,,,36693,bmst000316,1
13,covalent,SING,C5,O9,,,,,36693,bmst000316,1
14,covalent,DOUB,C6,C7,,,,,36693,bmst000316,1
15,covalent,SING,C6,O10,,,,,36693,bmst000316,1
16,covalent,SING,C8,O11,,,,,36693,bmst000316,1
17,covalent,DOUB,C8,O12,,,,,36693,bmst000316,1
18,covalent,SING,O9,H18,,,,,36693,bmst000316,1
19,covalent,SING,O10,H19,,,,,36693,bmst000316,1
20,covalent,SING,O11,H20,,,,,36693,bmst000316,1
1,covalent,SING,C1,O13,,,,,36703,bmst000317,1
2,covalent,SING,C1,H14,,,,,36703,bmst000317,1
3,covalent,SING,C1,H15,,,,,36703,bmst000317,1
4,covalent,SING,C1,H16,,,,,36703,bmst000317,1
5,covalent,DOUB,C2,C3,,,,,36703,bmst000317,1
6,covalent,SING,C2,C6,,,,,36703,bmst000317,1
7,covalent,SING,C2,H17,,,,,36703,bmst000317,1
8,covalent,SING,C3,C7,,,,,36703,bmst000317,1
9,covalent,SING,C3,H18,,,,,36703,bmst000317,1
10,covalent,DOUB,C4,C6,,,,,36703,bmst000317,1
11,covalent,SING,C4,C8,,,,,36703,bmst000317,1
12,covalent,SING,C4,H19,,,,,36703,bmst000317,1
13,covalent,SING,C5,C6,,,,,36703,bmst000317,1
14,covalent,SING,C5,C9,,,,,36703,bmst000317,1
15,covalent,SING,C5,H20,,,,,36703,bmst000317,1
16,covalent,SING,C5,H21,,,,,36703,bmst000317,1
17,covalent,DOUB,C7,C8,,,,,36703,bmst000317,1
18,covalent,SING,C7,O10,,,,,36703,bmst000317,1
19,covalent,SING,C8,O13,,,,,36703,bmst000317,1
20,covalent,SING,C9,O11,,,,,36703,bmst000317,1
21,covalent,DOUB,C9,O12,,,,,36703,bmst000317,1
22,covalent,SING,O10,H22,,,,,36703,bmst000317,1
23,covalent,SING,O11,H23,,,,,36703,bmst000317,1
1,covalent,SING,H1,N12,,,,,36713,bmst000318,1
2,covalent,DOUB,C2,C3,,,,,36713,bmst000318,1
3,covalent,SING,C2,C4,,,,,36713,bmst000318,1
4,covalent,SING,C2,H15,,,,,36713,bmst000318,1
5,covalent,SING,C3,C5,,,,,36713,bmst000318,1
6,covalent,SING,C3,H16,,,,,36713,bmst000318,1
7,covalent,DOUB,C4,C8,,,,,36713,bmst000318,1
8,covalent,SING,C4,H17,,,,,36713,bmst000318,1
9,covalent,DOUB,C5,C9,,,,,36713,bmst000318,1
10,covalent,SING,C5,H18,,,,,36713,bmst000318,1
11,covalent,DOUB,C6,C10,,,,,36713,bmst000318,1
12,covalent,SING,C6,N12,,,,,36713,bmst000318,1
13,covalent,SING,C6,H19,,,,,36713,bmst000318,1
14,covalent,SING,C7,C10,,,,,36713,bmst000318,1
15,covalent,SING,C7,C11,,,,,36713,bmst000318,1
16,covalent,SING,C7,H20,,,,,36713,bmst000318,1
17,covalent,SING,C7,H21,,,,,36713,bmst000318,1
18,covalent,SING,C8,C9,,,,,36713,bmst000318,1
19,covalent,SING,C8,C10,,,,,36713,bmst000318,1
20,covalent,SING,C9,N12,,,,,36713,bmst000318,1
21,covalent,SING,C11,O13,,,,,36713,bmst000318,1
22,covalent,DOUB,C11,O14,,,,,36713,bmst000318,1
23,covalent,SING,O13,H22,,,,,36713,bmst000318,1
1,covalent,SING,C1,C2,,,,,36723,bmst000319,1
2,covalent,SING,C1,O3,,,,,36723,bmst000319,1
3,covalent,SING,C1,H8,,,,,36723,bmst000319,1
4,covalent,SING,C1,H9,,,,,36723,bmst000319,1
5,covalent,SING,C2,S7,,,,,36723,bmst000319,1
6,covalent,SING,C2,H10,,,,,36723,bmst000319,1
7,covalent,SING,C2,H11,,,,,36723,bmst000319,1
8,covalent,SING,O3,H12,,,,,36723,bmst000319,1
9,covalent,SING,O4,S7,,,,,36723,bmst000319,1
10,covalent,SING,O4,H13,,,,,36723,bmst000319,1
11,covalent,DOUB,O5,S7,,,,,36723,bmst000319,1
12,covalent,DOUB,O6,S7,,,,,36723,bmst000319,1
1,covalent,DOUB,C1,C3,,,,,36733,bmst000320,1
2,covalent,SING,C1,C5,,,,,36733,bmst000320,1
3,covalent,SING,C1,H10,,,,,36733,bmst000320,1
4,covalent,SING,C2,C4,,,,,36733,bmst000320,1
5,covalent,DOUB,C2,C5,,,,,36733,bmst000320,1
6,covalent,SING,C2,H11,,,,,36733,bmst000320,1
7,covalent,SING,C3,N7,,,,,36733,bmst000320,1
8,covalent,SING,C3,H12,,,,,36733,bmst000320,1
9,covalent,DOUB,C4,N7,,,,,36733,bmst000320,1
10,covalent,SING,C4,H13,,,,,36733,bmst000320,1
11,covalent,SING,C5,C6,,,,,36733,bmst000320,1
12,covalent,SING,C6,O8,,,,,36733,bmst000320,1
13,covalent,DOUB,C6,O9,,,,,36733,bmst000320,1
14,covalent,SING,O8,H14,,,,,36733,bmst000320,1
1,covalent,SING,C1,C2,,,,,36743,bmst000321,1
2,covalent,SING,C1,C4,,,,,36743,bmst000321,1
3,covalent,DOUB,C1,C6,,,,,36743,bmst000321,1
4,covalent,DOUB,C2,O5,,,,,36743,bmst000321,1
5,covalent,SING,C2,O8,,,,,36743,bmst000321,1
6,covalent,SING,C3,C4,,,,,36743,bmst000321,1
7,covalent,DOUB,C3,O7,,,,,36743,bmst000321,1
8,covalent,SING,C3,O9,,,,,36743,bmst000321,1
9,covalent,SING,C4,H10,,,,,36743,bmst000321,1
10,covalent,SING,C4,H11,,,,,36743,bmst000321,1
11,covalent,SING,C6,H12,,,,,36743,bmst000321,1
12,covalent,SING,C6,H13,,,,,36743,bmst000321,1
13,covalent,SING,O8,H14,,,,,36743,bmst000321,1
14,covalent,SING,O9,H15,,,,,36743,bmst000321,1
1,covalent,SING,C1,C2,,,,,36753,bmst000322,1
2,covalent,SING,C1,O3,,,,,36753,bmst000322,1
3,covalent,SING,C1,C4,,,,,36753,bmst000322,1
4,covalent,SING,C1,H34,,,,,36753,bmst000322,1
5,covalent,SING,C2,C5,,,,,36753,bmst000322,1
6,covalent,SING,C2,O6,,,,,36753,bmst000322,1
7,covalent,SING,C2,H35,,,,,36753,bmst000322,1
8,covalent,SING,O3,C7,,,,,36753,bmst000322,1
9,covalent,SING,C4,C8,,,,,36753,bmst000322,1
10,covalent,SING,C4,N9,,,,,36753,bmst000322,1
11,covalent,SING,C4,H36,,,,,36753,bmst000322,1
12,covalent,SING,C5,O10,,,,,36753,bmst000322,1
13,covalent,SING,C5,C11,,,,,36753,bmst000322,1
14,covalent,SING,C5,H37,,,,,36753,bmst000322,1
15,covalent,SING,O6,H38,,,,,36753,bmst000322,1
16,covalent,SING,C7,O12,,,,,36753,bmst000322,1
17,covalent,SING,C7,C13,,,,,36753,bmst000322,1
18,covalent,SING,C7,H39,,,,,36753,bmst000322,1
19,covalent,SING,C8,C11,,,,,36753,bmst000322,1
20,covalent,SING,C8,H40,,,,,36753,bmst000322,1
21,covalent,SING,C8,H41,,,,,36753,bmst000322,1
22,covalent,SING,N9,H42,,,,,36753,bmst000322,1
23,covalent,SING,N9,H43,,,,,36753,bmst000322,1
24,covalent,SING,O10,C14,,,,,36753,bmst000322,1
25,covalent,SING,C11,N15,,,,,36753,bmst000322,1
26,covalent,SING,C11,H44,,,,,36753,bmst000322,1
27,covalent,SING,O12,C16,,,,,36753,bmst000322,1
28,covalent,SING,C13,C17,,,,,36753,bmst000322,1
29,covalent,SING,C13,O18,,,,,36753,bmst000322,1
30,covalent,SING,C13,H45,,,,,36753,bmst000322,1
31,covalent,SING,C14,O19,,,,,36753,bmst000322,1
32,covalent,SING,C14,C20,,,,,36753,bmst000322,1
33,covalent,SING,C14,H46,,,,,36753,bmst000322,1
34,covalent,SING,N15,H47,,,,,36753,bmst000322,1
35,covalent,SING,N15,H48,,,,,36753,bmst000322,1
36,covalent,SING,C16,C21,,,,,36753,bmst000322,1
37,covalent,SING,C16,C22,,,,,36753,bmst000322,1
38,covalent,SING,C16,H49,,,,,36753,bmst000322,1
39,covalent,SING,C17,C21,,,,,36753,bmst000322,1
40,covalent,SING,C17,N23,,,,,36753,bmst000322,1
41,covalent,SING,C17,H50,,,,,36753,bmst000322,1
42,covalent,SING,O18,H51,,,,,36753,bmst000322,1
43,covalent,SING,O19,C24,,,,,36753,bmst000322,1
44,covalent,SING,C20,C25,,,,,36753,bmst000322,1
45,covalent,SING,C20,O26,,,,,36753,bmst000322,1
46,covalent,SING,C20,H52,,,,,36753,bmst000322,1
47,covalent,SING,C21,O27,,,,,36753,bmst000322,1
48,covalent,SING,C21,H53,,,,,36753,bmst000322,1
49,covalent,SING,C22,O28,,,,,36753,bmst000322,1
50,covalent,SING,C22,H54,,,,,36753,bmst000322,1
51,covalent,SING,C22,H55,,,,,36753,bmst000322,1
52,covalent,SING,N23,H56,,,,,36753,bmst000322,1
53,covalent,SING,N23,H57,,,,,36753,bmst000322,1
54,covalent,SING,C24,C29,,,,,36753,bmst000322,1
55,covalent,SING,C24,C30,,,,,36753,bmst000322,1
56,covalent,SING,C24,H58,,,,,36753,bmst000322,1
57,covalent,SING,C25,C29,,,,,36753,bmst000322,1
58,covalent,SING,C25,O31,,,,,36753,bmst000322,1
59,covalent,SING,C25,H59,,,,,36753,bmst000322,1
60,covalent,SING,O26,H60,,,,,36753,bmst000322,1
61,covalent,SING,O27,H61,,,,,36753,bmst000322,1
62,covalent,SING,O28,H62,,,,,36753,bmst000322,1
63,covalent,SING,C29,O32,,,,,36753,bmst000322,1
64,covalent,SING,C29,H63,,,,,36753,bmst000322,1
65,covalent,SING,C30,N33,,,,,36753,bmst000322,1
66,covalent,SING,C30,H64,,,,,36753,bmst000322,1
67,covalent,SING,C30,H65,,,,,36753,bmst000322,1
68,covalent,SING,O31,H66,,,,,36753,bmst000322,1
69,covalent,SING,O32,H67,,,,,36753,bmst000322,1
70,covalent,SING,N33,H68,,,,,36753,bmst000322,1
71,covalent,SING,N33,H69,,,,,36753,bmst000322,1
1,covalent,DOUB,C1,C2,,,,,36763,bmst000323,1
2,covalent,SING,C1,C3,,,,,36763,bmst000323,1
3,covalent,SING,C1,H9,,,,,36763,bmst000323,1
4,covalent,SING,C2,C4,,,,,36763,bmst000323,1
5,covalent,SING,C2,H10,,,,,36763,bmst000323,1
6,covalent,SING,C3,O5,,,,,36763,bmst000323,1
7,covalent,DOUB,C3,O7,,,,,36763,bmst000323,1
8,covalent,SING,C4,O6,,,,,36763,bmst000323,1
9,covalent,DOUB,C4,O8,,,,,36763,bmst000323,1
10,covalent,SING,O5,H11,,,,,36763,bmst000323,1
11,covalent,SING,O6,H12,,,,,36763,bmst000323,1
1,covalent,SING,C1,C3,,,,,36773,bmst000324,1
2,covalent,SING,C1,C4,,,,,36773,bmst000324,1
3,covalent,SING,C1,H10,,,,,36773,bmst000324,1
4,covalent,SING,C1,H11,,,,,36773,bmst000324,1
5,covalent,SING,C2,C4,,,,,36773,bmst000324,1
6,covalent,DOUB,C2,O5,,,,,36773,bmst000324,1
7,covalent,SING,C2,O7,,,,,36773,bmst000324,1
8,covalent,DOUB,C3,O6,,,,,36773,bmst000324,1
9,covalent,SING,C3,O8,,,,,36773,bmst000324,1
10,covalent,SING,C4,O9,,,,,36773,bmst000324,1
11,covalent,SING,C4,H12,,,,,36773,bmst000324,1
12,covalent,SING,O7,H13,,,,,36773,bmst000324,1
13,covalent,SING,O8,H14,,,,,36773,bmst000324,1
14,covalent,SING,O9,H15,,,,,36773,bmst000324,1
1,covalent,SING,C1,O2,,,,,36783,bmst000325,1
2,covalent,SING,C1,O3,,,,,36783,bmst000325,1
3,covalent,SING,C1,C4,,,,,36783,bmst000325,1
4,covalent,SING,C1,H24,,,,,36783,bmst000325,1
5,covalent,SING,O2,C5,,,,,36783,bmst000325,1
6,covalent,SING,O3,C6,,,,,36783,bmst000325,1
7,covalent,SING,C4,C7,,,,,36783,bmst000325,1
8,covalent,SING,C4,O8,,,,,36783,bmst000325,1
9,covalent,SING,C4,H25,,,,,36783,bmst000325,1
10,covalent,SING,C5,C9,,,,,36783,bmst000325,1
11,covalent,SING,C5,C10,,,,,36783,bmst000325,1
12,covalent,SING,C5,H26,,,,,36783,bmst000325,1
13,covalent,SING,C11,C6,,,,,36783,bmst000325,1
14,covalent,SING,C6,H27,,,,,36783,bmst000325,1
15,covalent,SING,C6,H28,,,,,36783,bmst000325,1
16,covalent,SING,C7,C9,,,,,36783,bmst000325,1
17,covalent,SING,C7,O12,,,,,36783,bmst000325,1
18,covalent,SING,C7,H29,,,,,36783,bmst000325,1
19,covalent,SING,O8,H30,,,,,36783,bmst000325,1
20,covalent,SING,C9,O13,,,,,36783,bmst000325,1
21,covalent,SING,C9,H31,,,,,36783,bmst000325,1
22,covalent,SING,C10,O14,,,,,36783,bmst000325,1
23,covalent,SING,C10,H32,,,,,36783,bmst000325,1
24,covalent,SING,C10,H33,,,,,36783,bmst000325,1
25,covalent,SING,C11,C15,,,,,36783,bmst000325,1
26,covalent,SING,C11,O16,,,,,36783,bmst000325,1
27,covalent,SING,C11,H34,,,,,36783,bmst000325,1
28,covalent,SING,O12,H35,,,,,36783,bmst000325,1
29,covalent,SING,O13,H36,,,,,36783,bmst000325,1
30,covalent,SING,O14,H37,,,,,36783,bmst000325,1
31,covalent,SING,C15,C17,,,,,36783,bmst000325,1
32,covalent,SING,C15,O18,,,,,36783,bmst000325,1
33,covalent,SING,C15,H38,,,,,36783,bmst000325,1
34,covalent,SING,O16,C19,,,,,36783,bmst000325,1
35,covalent,SING,C17,C20,,,,,36783,bmst000325,1
36,covalent,SING,C17,O21,,,,,36783,bmst000325,1
37,covalent,SING,C17,H39,,,,,36783,bmst000325,1
38,covalent,SING,O18,H40,,,,,36783,bmst000325,1
39,covalent,SING,C19,C20,,,,,36783,bmst000325,1
40,covalent,SING,C19,O22,,,,,36783,bmst000325,1
41,covalent,SING,C19,H41,,,,,36783,bmst000325,1
42,covalent,SING,C20,O23,,,,,36783,bmst000325,1
43,covalent,SING,C20,H42,,,,,36783,bmst000325,1
44,covalent,SING,O21,H43,,,,,36783,bmst000325,1
45,covalent,SING,O22,H44,,,,,36783,bmst000325,1
46,covalent,SING,O23,H45,,,,,36783,bmst000325,1
1,covalent,SING,C1,C2,,,,,36793,bmst000326,1
2,covalent,SING,C1,N6,,,,,36793,bmst000326,1
3,covalent,SING,C1,H9,,,,,36793,bmst000326,1
4,covalent,SING,C1,H10,,,,,36793,bmst000326,1
5,covalent,SING,C2,C4,,,,,36793,bmst000326,1
6,covalent,SING,C2,H11,,,,,36793,bmst000326,1
7,covalent,SING,C2,H12,,,,,36793,bmst000326,1
8,covalent,SING,C3,C4,,,,,36793,bmst000326,1
9,covalent,SING,C3,O7,,,,,36793,bmst000326,1
10,covalent,DOUB,C3,O8,,,,,36793,bmst000326,1
11,covalent,SING,C4,H13,,,,,36793,bmst000326,1
12,covalent,SING,C4,H14,,,,,36793,bmst000326,1
13,covalent,SING,C5,O7,,,,,36793,bmst000326,1
14,covalent,SING,C5,H15,,,,,36793,bmst000326,1
15,covalent,SING,C5,H16,,,,,36793,bmst000326,1
16,covalent,SING,C5,H17,,,,,36793,bmst000326,1
17,covalent,SING,N6,H18,,,,,36793,bmst000326,1
18,covalent,SING,N6,H19,,,,,36793,bmst000326,1
1,covalent,SING,C1,C2,,,,,36803,bmst000327,1
2,covalent,SING,C1,C3,,,,,36803,bmst000327,1
3,covalent,SING,C1,N7,,,,,36803,bmst000327,1
4,covalent,SING,C1,H17,,,,,36803,bmst000327,1
5,covalent,SING,C2,C5,,,,,36803,bmst000327,1
6,covalent,SING,C2,O10,,,,,36803,bmst000327,1
7,covalent,SING,C2,H18,,,,,36803,bmst000327,1
8,covalent,SING,C3,O4,,,,,36803,bmst000327,1
9,covalent,SING,C3,O12,,,,,36803,bmst000327,1
10,covalent,SING,C3,H19,,,,,36803,bmst000327,1
11,covalent,SING,O4,C6,,,,,36803,bmst000327,1
12,covalent,SING,C5,C6,,,,,36803,bmst000327,1
13,covalent,SING,C5,O11,,,,,36803,bmst000327,1
14,covalent,SING,C5,H20,,,,,36803,bmst000327,1
15,covalent,SING,C6,C13,,,,,36803,bmst000327,1
16,covalent,SING,C6,H21,,,,,36803,bmst000327,1
17,covalent,SING,N7,C8,,,,,36803,bmst000327,1
18,covalent,SING,N7,H22,,,,,36803,bmst000327,1
19,covalent,DOUB,C8,O9,,,,,36803,bmst000327,1
20,covalent,SING,C8,C15,,,,,36803,bmst000327,1
21,covalent,SING,O10,H23,,,,,36803,bmst000327,1
22,covalent,SING,O11,H24,,,,,36803,bmst000327,1
23,covalent,SING,O12,C16,,,,,36803,bmst000327,1
24,covalent,SING,C13,O14,,,,,36803,bmst000327,1
25,covalent,SING,C13,H25,,,,,36803,bmst000327,1
26,covalent,SING,C13,H26,,,,,36803,bmst000327,1
27,covalent,SING,O14,H27,,,,,36803,bmst000327,1
28,covalent,SING,C15,H28,,,,,36803,bmst000327,1
29,covalent,SING,C15,H29,,,,,36803,bmst000327,1
30,covalent,SING,C15,H30,,,,,36803,bmst000327,1
31,covalent,SING,C16,H31,,,,,36803,bmst000327,1
32,covalent,SING,C16,H32,,,,,36803,bmst000327,1
33,covalent,SING,C16,H33,,,,,36803,bmst000327,1
1,covalent,DOUB,O1,C2,,,,,36813,bmst000328,1
2,covalent,SING,C2,O3,,,,,36813,bmst000328,1
3,covalent,SING,C2,C4,,,,,36813,bmst000328,1
4,covalent,SING,O3,H9,,,,,36813,bmst000328,1
5,covalent,SING,C4,C5,,,,,36813,bmst000328,1
6,covalent,DOUB,C4,O8,,,,,36813,bmst000328,1
7,covalent,SING,C5,C6,,,,,36813,bmst000328,1
8,covalent,SING,C5,C7,,,,,36813,bmst000328,1
9,covalent,SING,C5,H10,,,,,36813,bmst000328,1
10,covalent,SING,C6,H11,,,,,36813,bmst000328,1
11,covalent,SING,C6,H12,,,,,36813,bmst000328,1
12,covalent,SING,C6,H13,,,,,36813,bmst000328,1
13,covalent,SING,C7,H14,,,,,36813,bmst000328,1
14,covalent,SING,C7,H15,,,,,36813,bmst000328,1
15,covalent,SING,C7,H16,,,,,36813,bmst000328,1
1,covalent,SING,C1,O2,,,,,36823,bmst000329,1
2,covalent,DOUB,C1,O3,,,,,36823,bmst000329,1
3,covalent,SING,C1,C4,,,,,36823,bmst000329,1
4,covalent,SING,O2,H7,,,,,36823,bmst000329,1
5,covalent,DOUB,C4,O5,,,,,36823,bmst000329,1
6,covalent,SING,C4,O6,,,,,36823,bmst000329,1
7,covalent,SING,O6,H8,,,,,36823,bmst000329,1
1,covalent,SING,H1,C9,,,,,36833,bmst000330,1
2,covalent,SING,H2,C10,,,,,36833,bmst000330,1
3,covalent,SING,H3,C11,,,,,36833,bmst000330,1
4,covalent,SING,H4,C12,,,,,36833,bmst000330,1
5,covalent,SING,H5,C13,,,,,36833,bmst000330,1
6,covalent,SING,H6,C16,,,,,36833,bmst000330,1
7,covalent,SING,H7,C16,,,,,36833,bmst000330,1
8,covalent,SING,H8,O18,,,,,36833,bmst000330,1
9,covalent,DOUB,C9,C10,,,,,36833,bmst000330,1
10,covalent,SING,C9,C11,,,,,36833,bmst000330,1
11,covalent,SING,C10,C12,,,,,36833,bmst000330,1
12,covalent,DOUB,C11,C13,,,,,36833,bmst000330,1
13,covalent,DOUB,C12,C14,,,,,36833,bmst000330,1
14,covalent,SING,C13,C14,,,,,36833,bmst000330,1
15,covalent,SING,C14,C16,,,,,36833,bmst000330,1
16,covalent,SING,C15,C16,,,,,36833,bmst000330,1
17,covalent,DOUB,C15,O17,,,,,36833,bmst000330,1
18,covalent,SING,C15,O18,,,,,36833,bmst000330,1
1,covalent,DOUB,C1,O2,,,,,36843,bmst000332,1
2,covalent,SING,C1,O3,,,,,36843,bmst000332,1
3,covalent,SING,C1,C4,,,,,36843,bmst000332,1
4,covalent,SING,O3,H11,,,,,36843,bmst000332,1
5,covalent,DOUB,C4,C5,,,,,36843,bmst000332,1
6,covalent,SING,C4,O6,,,,,36843,bmst000332,1
7,covalent,SING,C5,H12,,,,,36843,bmst000332,1
8,covalent,SING,C5,H13,,,,,36843,bmst000332,1
9,covalent,SING,O6,P7,,,,,36843,bmst000332,1
10,covalent,DOUB,P7,O8,,,,,36843,bmst000332,1
11,covalent,SING,P7,O9,,,,,36843,bmst000332,1
12,covalent,SING,P7,O10,,,,,36843,bmst000332,1
13,covalent,SING,O9,H14,,,,,36843,bmst000332,1
14,covalent,SING,O10,H15,,,,,36843,bmst000332,1
1,covalent,SING,C1,C2,,,,,36853,bmst000333,1
2,covalent,SING,C1,O7,,,,,36853,bmst000333,1
3,covalent,SING,C1,O11,,,,,36853,bmst000333,1
4,covalent,SING,C1,H14,,,,,36853,bmst000333,1
5,covalent,SING,C2,C3,,,,,36853,bmst000333,1
6,covalent,SING,C2,O8,,,,,36853,bmst000333,1
7,covalent,SING,C2,H15,,,,,36853,bmst000333,1
8,covalent,SING,C3,C4,,,,,36853,bmst000333,1
9,covalent,SING,C3,O9,,,,,36853,bmst000333,1
10,covalent,SING,C3,H16,,,,,36853,bmst000333,1
11,covalent,SING,C4,C5,,,,,36853,bmst000333,1
12,covalent,SING,C4,O10,,,,,36853,bmst000333,1
13,covalent,SING,C4,H17,,,,,36853,bmst000333,1
14,covalent,SING,C5,C6,,,,,36853,bmst000333,1
15,covalent,SING,C5,O11,,,,,36853,bmst000333,1
16,covalent,SING,C5,H18,,,,,36853,bmst000333,1
17,covalent,SING,C6,O12,,,,,36853,bmst000333,1
18,covalent,DOUB,C6,O13,,,,,36853,bmst000333,1
19,covalent,SING,O7,H19,,,,,36853,bmst000333,1
20,covalent,SING,O8,H20,,,,,36853,bmst000333,1
21,covalent,SING,O9,H21,,,,,36853,bmst000333,1
22,covalent,SING,O10,H22,,,,,36853,bmst000333,1
23,covalent,SING,O12,H23,,,,,36853,bmst000333,1
1,covalent,SING,C1,C2,,,,,36863,bmst000334,1
2,covalent,DOUB,C1,O4,,,,,36863,bmst000334,1
3,covalent,SING,C1,O5,,,,,36863,bmst000334,1
4,covalent,SING,C2,C3,,,,,36863,bmst000334,1
5,covalent,SING,C2,H6,,,,,36863,bmst000334,1
6,covalent,SING,C2,H7,,,,,36863,bmst000334,1
7,covalent,SING,C3,H8,,,,,36863,bmst000334,1
8,covalent,SING,C3,H9,,,,,36863,bmst000334,1
9,covalent,SING,C3,H10,,,,,36863,bmst000334,1
10,covalent,SING,O5,H11,,,,,36863,bmst000334,1