-OEChem-07191013242D

 19 22  0     0  0  0  0  0  0999 V2000
  123.0000   42.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  121.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  113.0000   20.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   63.0000   37.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0000   53.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   28.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   47.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   82.0000   37.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   92.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.0000    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.0000   70.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   92.0000   53.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   82.0000    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   18.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   57.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   82.0000   70.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   47.0000    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  2  0  0  0  0
  4  9  1  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  1  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  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  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>
10537544

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
1878872658

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Nitrofluoranthene
Fluoranthene, 3-nitro-

> <PUBCHEM_XREF_EXT_ID>
1878872658

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C16H9NO2/c18-17%2819%2915-9-8-13-11-5-2-1-4-10%2811%2912-6-3-7-14%2815%2916%2812%2913/h1-9H%0A

> <PUBCHEM_CID_ASSOCIATIONS>
13462  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$