-OEChem-01131113502D

 20 20  0     0  0  0  0  0  0999 V2000
    3.0302   -4.5721    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9251   -2.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607   -1.6661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085   -1.6661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815   -5.4033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9044    0.3874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607   -4.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815   -2.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815   -4.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085   -4.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085   -0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9044   -0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6357   -3.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1982    0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92308812

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ICCB-Longwood/NSRB Screening Facility, Harvard Medical School

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMS2089G16

> <PUBCHEM_SUBSTANCE_COMMENT>
BIOMOL:AC-840

> <PUBCHEM_SUBSTANCE_SYNONYM>
HMS2089G16

> <PUBCHEM_XREF_EXT_ID>
HMS2089G16

> <PUBCHEM_EXT_DATASOURCE_URL>
http://iccb.med.harvard.edu/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://iccb.med.harvard.edu/screening/compound_libraries/bioactives_biomol4.htm

> <PUBCHEM_CID_ASSOCIATIONS>
4168  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$