-OEChem-10311114432D

 18 19  0     0  0  0  0  0  0999 V2000
    0.2167   -1.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -4.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -4.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103469202

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL196590

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:27841
CHEMBL196590

> <PUBCHEM_XREF_EXT_ID>
CHEMBL196590

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL196590

> <PUBCHEM_CID_ASSOCIATIONS>
6294  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$