-OEChem-11021115572D

  9  8  0     0  0  0  0  0  0999 V2000
    1.0292    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103938017

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BindingDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
50028817

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:17935

> <PUBCHEM_XREF_EXT_ID>
50028817

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.bindingDB.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50028817

> <PUBCHEM_CID_ASSOCIATIONS>
454  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$