-OEChem-03131213512D

 12 12  0     0  0  0  0  0  0999 V2000
    5.5625   -2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -2.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103760871

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL1160785

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEMBL1160785

> <PUBCHEM_XREF_EXT_ID>
CHEMBL1160785

> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.ebi.ac.uk/chembldb

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1160785

> <PUBCHEM_CID_ASSOCIATIONS>
1669  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$