-OEChem-10051111222D

  3  2  0     0  0  0  0  0  0999 V2000
   20.0000   15.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0000   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10325034

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
29064593

> <PUBCHEM_SUBSTANCE_SYNONYM>
Acetonitrile
Cyanomethane

> <PUBCHEM_XREF_EXT_ID>
29064593

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
6342  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$