-OEChem-02281210082D

 19 21  0     1  0  0  0  0  0999 V2000
    2.1478    1.4693    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043    1.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1918   -0.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0049   -0.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    2.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6323    1.2982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566    2.0568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265    0.0325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664    0.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236    1.0454    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0417    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802    0.2842    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5193    0.2831    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7785    1.0395    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3760    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    0.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901   -0.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
 13  3  1  6  0  0  0
 14  4  1  6  0  0  0
  5 19  1  0  0  0  0
 10  6  1  1  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  2  0  0  0  0
  8 11  1  0  0  0  0
  8 18  2  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103525156

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL397974

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEMBL397974

> <PUBCHEM_XREF_EXT_ID>
CHEMBL397974

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL397974

> <PUBCHEM_CID_ASSOCIATIONS>
93003  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
15  19  5
13  3  6
14  4  6
10  6  5

$$$$