-OEChem-03131213522D

 10  9  0     1  0  0  0  0  0999 V2000
    1.3000    0.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    0.1503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609    1.3502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2394    0.5997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
11405142

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemBank

> <PUBCHEM_EXT_DATASOURCE_REGID>
NCI60_000747

> <PUBCHEM_SUBSTANCE_SYNONYM>
NCI60_000747

> <PUBCHEM_XREF_EXT_ID>
NCI60_000747

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chembank.broad.harvard.edu

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chembank.broad.harvard.edu/chemistry/viewMolecule.htm?cbid=1001855

> <PUBCHEM_CID_ASSOCIATIONS>
3857  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$