-OEChem-01131113482D

 10 10  0     0  0  0  0  0  0999 V2000
    2.4266    4.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    2.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.0116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  8  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92225642

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ICCB-Longwood/NSRB Screening Facility, Harvard Medical School

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMS1619D05

> <PUBCHEM_SUBSTANCE_COMMENT>
ChemDiv:7599-1699

> <PUBCHEM_SUBSTANCE_SYNONYM>
HMS1619D05

> <PUBCHEM_XREF_EXT_ID>
HMS1619D05

> <PUBCHEM_EXT_DATASOURCE_URL>
http://iccb.med.harvard.edu/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://iccb.med.harvard.edu/screening/compound_libraries/chemdiv4.htm

> <PUBCHEM_CID_ASSOCIATIONS>
78168  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$