-OEChem-03261012002D

  8  8  0     0  0  0  0  0  0999 V2000
    6.1388  -11.7672    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7089  -10.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4199  -12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4199  -13.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875  -12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079  -13.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875  -13.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
13193

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C11010

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 348-54-9
PDB-CCD: 1AN

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Fluoroaniline
348-54-9
C11010

> <PUBCHEM_GENERIC_REGISTRY_NAME>
348-54-9

> <PUBCHEM_XREF_EXT_ID>
C11010

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C11010

> <PUBCHEM_CID_ASSOCIATIONS>
9584  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$