-OEChem-03311014132D

 12 13  0     0  0  0  0  0  0999 V2000
   -0.1208   -1.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -2.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
85485371

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:292912

> <PUBCHEM_SUBSTANCE_SYNONYM>
6-Ethylsulfanyl-9H-purine
CHEBI:292912

> <PUBCHEM_XREF_EXT_ID>
CHEBI:292912

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:292912

> <PUBCHEM_CID_ASSOCIATIONS>
94971  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$