-OEChem-07191013272D

  9  9  0     0  0  0  0  0  0999 V2000
    2.6862    1.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9668    3.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    1.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712    1.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412    1.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712    0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    2.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412    0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
50107362

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NCGC

> <PUBCHEM_EXT_DATASOURCE_REGID>
NCGC00094779-03

> <PUBCHEM_SUBSTANCE_SYNONYM>
NCGC00094779-03

> <PUBCHEM_XREF_EXT_ID>
NCGC00094779-03

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

> <PUBCHEM_CID_ASSOCIATIONS>
5146  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$