-OEChem-03261011592D

 21 23  0     0  0  0  0  0  0999 V2000
    6.6750   -1.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
26697363

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:39708

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:39708

> <PUBCHEM_XREF_EXT_ID>
CHEBI:39708

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39708

> <PUBCHEM_CID_ASSOCIATIONS>
1369  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$