-OEChem-03101014052D

 14 14  0     1  0  0  0  0  0999 V2000
    2.5042   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -2.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4125   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
53777708

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
University of Pittsburgh Molecular Library Screening Center

> <PUBCHEM_EXT_DATASOURCE_REGID>
78

> <PUBCHEM_XREF_EXT_ID>
78

> <PUBCHEM_CID_ASSOCIATIONS>
1245  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$