522667
  -OEChem-06032502542D

 21 23  0     0  0  0  0  0  0999 V2000
    8.2663    1.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2574    5.5770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6683    1.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9628    3.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9658    1.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3648    3.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2604    4.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677    1.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6623    4.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609    3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020    4.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3092    0.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8584    4.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5639    1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8092    0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1590    3.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8644    1.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1619    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434    3.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464    1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
522667

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
690383

> <PUBCHEM_SUBSTANCE_COMMENT>
DTP/NCI DIS cdk 1.4.4.  Release-October 2011.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database Chemistry on host DrZZLaptop on Oct 30, 2011

> <PUBCHEM_SUBSTANCE_SYNONYM>
NSC-690383
NSC690383

> <PUBCHEM_XREF_EXT_ID>
690383

> <PUBCHEM_EXT_DATASOURCE_URL>
http://dtp.nci.nih.gov/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=690383

> <PUBCHEM_CID_ASSOCIATIONS>
391353  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$