-OEChem-03101014062D

  5  4  0     0  0  0  0  0  0999 V2000
    1.1432    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
26752801

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NCGC

> <PUBCHEM_EXT_DATASOURCE_REGID>
NCGC00090785-03

> <PUBCHEM_SUBSTANCE_COMMENT>
EPA_NCGC_Tox21_Plate0

> <PUBCHEM_SUBSTANCE_SYNONYM>
NCGC00090785-03

> <PUBCHEM_XREF_EXT_ID>
NCGC00090785-03

> <PUBCHEM_EXT_DATASOURCE_URL>
http://ncgc.nih.gov/db

> <PUBCHEM_CID_ASSOCIATIONS>
6228  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$