-OEChem-07191013242D

 19 22  0     0  0  0  0  0  0999 V2000
   -0.5708   -4.2417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4667   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -3.9375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5625   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
85568100

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:376621

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Nitro-fluoranthene
CHEBI:376621

> <PUBCHEM_XREF_EXT_ID>
CHEBI:376621

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:376621

> <PUBCHEM_CID_ASSOCIATIONS>
13462  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$