-OEChem-03261011592D

 18 17  0     0  0  0  0  0  0999 V2000
   -3.1792   -5.1417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7000   -4.7083    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4625   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833   -5.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7641   -5.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5887   -4.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1149   -5.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2791   -3.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -5.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -4.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -5.1292    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>
13898

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C11733

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 156-74-1
ChEBI: 41934
PDB-CCD: DME

> <PUBCHEM_SUBSTANCE_SYNONYM>
156-74-1
C11733
Decamethonium

> <PUBCHEM_GENERIC_REGISTRY_NAME>
156-74-1

> <PUBCHEM_XREF_EXT_ID>
C11733

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C11733

> <PUBCHEM_CID_ASSOCIATIONS>
2968  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$