-OEChem-02281210092D

 17 18  0     1  0  0  0  0  0999 V2000
   -1.2314   -1.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409    0.0384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409   -1.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -0.3741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2314    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9459    0.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6604    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2314   -0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120    0.0384    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9459    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264   -0.3741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9120    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264   -1.1991    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9120   -1.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
 14  2  1  1  0  0  0
 16  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 14  1  6  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
104234358

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL1201774

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:59560
CHEMBL1201774
Sapropterin

> <PUBCHEM_XREF_EXT_ID>
CHEMBL1201774

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1201774

> <PUBCHEM_CID_ASSOCIATIONS>
44257  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
12  14  6
14  2  5
16  3  5

$$$$