-OEChem-10281115192D

 14 14  0     0  0  0  0  0  0999 V2000
    1.4714   -0.7630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720    0.4745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425   -0.7630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569    0.4745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3865   -0.7630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    1.7120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3865   -1.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1009   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569    2.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103179043

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL15063

> <PUBCHEM_SUBSTANCE_SYNONYM>
ATRAZINE
CHEBI:15930
CHEMBL15063

> <PUBCHEM_XREF_EXT_ID>
CHEMBL15063

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL15063

> <PUBCHEM_CID_ASSOCIATIONS>
2256  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$