-OEChem-02171214062D

 24 25  0     1  0  0  0  0  0999 V2000
    4.7542   -3.4917    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -0.6375    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.6417    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.4875    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -2.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4667   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 24  2  0  0  0  0
  8 24  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
124636589

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
Center for Chemical Genomics, University of Michigan

> <PUBCHEM_EXT_DATASOURCE_REGID>
CCG-38738

> <PUBCHEM_SUBSTANCE_SYNONYM>
CCG-38738

> <PUBCHEM_XREF_EXT_ID>
CCG-38738

> <PUBCHEM_CID_ASSOCIATIONS>
5819  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
23  22  5

$$$$