-OEChem-10051111222D

 37 39  0     1  0  0  0  0  0999 V2000
    6.4504    3.3034    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055   -0.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    0.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020    3.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430    4.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4988    2.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -3.5198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -0.9598    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3452    0.3476    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3435   -0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    0.6582    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0873    1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -2.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -1.0557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    0.9601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4713   -1.2591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602   -0.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    0.7563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    2.0991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    1.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7212    0.6808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    4.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
 15  3  1  1  0  0  0
  3 31  1  0  0  0  0
  4 18  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 22  2  0  0  0  0
 14  9  1  6  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  0  0  0  0
 10 33  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 13 23  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  6  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
43121900

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
58570

> <PUBCHEM_XREF_EXT_ID>
58570

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.chemspider.com

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.58570.html

> <PUBCHEM_CID_ASSOCIATIONS>
65059  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
17  18  6
15  3  5
14  9  6

$$$$