-OEChem-09151010582D

 17 17  0     1  0  0  0  0  0999 V2000
   -4.9298   -0.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    0.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9887   -2.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.0323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102   -3.2959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5870   -5.1596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -2.0835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7364   -0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5026   -3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3873   -4.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8796   -4.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 11  1  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
47794632

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemBank

> <PUBCHEM_EXT_DATASOURCE_REGID>
SMP1_000024

> <PUBCHEM_SUBSTANCE_SYNONYM>
SMP1_000024

> <PUBCHEM_XREF_EXT_ID>
SMP1_000024

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chembank.broad.harvard.edu/chemistry/viewMolecule.htm?cbid=2141035

> <PUBCHEM_CID_ASSOCIATIONS>
11444  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$