-OEChem-10201113252D

 40 41  0     0  0  0  0  0  0999 V2000
   27.2992   -0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0001   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0002   -2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5983   -1.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6988   -0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2993   -3.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5983   -2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2461   -0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3523   -0.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531   -2.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -2.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4002   -1.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990   -0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9610   -3.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0989   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003   -1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8002   -1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4990   -0.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0968    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -2.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4989   -0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2002   -1.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0990   -0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8989   -0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003   -1.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6002   -1.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6990   -0.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2989   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0002   -1.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8968    0.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4024   -2.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 26  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 39  1  0  0  0  0
 34 36  2  0  0  0  0
 34 40  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_HOLD_UNTIL_DATE>
2011-01-06

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
87219208

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
The Scripps Research Institute Molecular Screening Center

> <PUBCHEM_EXT_DATASOURCE_REGID>
SR-01000763803-4

> <PUBCHEM_SUBSTANCE_COMMENT>
MLSMR_SAMPLE_SUPPLIER: The Scripps Research Institute Molecular Screening Center
MLSMR_SUPPLIER_STRUCTURE_ID: SR-01000763803-4

> <PUBCHEM_SUBSTANCE_SYNONYM>
SR-01000763803-4

> <PUBCHEM_XREF_EXT_ID>
SR-01000763803-4

> <PUBCHEM_EXT_DATASOURCE_URL>
http://mlpcn.florida.scripps.edu/

> <PUBCHEM_CID_ASSOCIATIONS>
5280489  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$