-OEChem-02171214062D

 24 25  0     1  0  0  0  0  0999 V2000
    2.2625   -0.3238    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -0.3238    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -3.6238    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243   -1.1488    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243   -2.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    3.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    3.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    2.1512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -1.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    1.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -2.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -2.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -1.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480    0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -2.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    2.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    2.5637    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1191    3.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 24  2  0  0  0  0
  8 24  1  0  0  0  0
 23  9  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103605014

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL1624

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:18332
CHEMBL1624
Levothyroxine

> <PUBCHEM_XREF_EXT_ID>
CHEMBL1624

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1624

> <PUBCHEM_CID_ASSOCIATIONS>
5819  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
23  9  6

$$$$