-OEChem-10311114442D

 16 16  0     0  0  0  0  0  0999 V2000
    0.8250    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103520219

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL388558

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:34698
CHEMBL388558

> <PUBCHEM_XREF_EXT_ID>
CHEMBL388558

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL388558

> <PUBCHEM_CID_ASSOCIATIONS>
6781  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$