-OEChem-03261011592D

 18 17  0     0  0  0  0  0  0999 V2000
   -1.1833    1.0958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4333   -3.7042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  2   1   1   2   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
2

> <PUBCHEM_SUBSTANCE_ID>
26697291

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:41934

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:41934

> <PUBCHEM_XREF_EXT_ID>
CHEBI:41934

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:41934

> <PUBCHEM_CID_ASSOCIATIONS>
2968  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$