-OEChem-03101014052D

 16 17  0     0  0  0  0  0  0999 V2000
   -0.8836   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8836    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9743    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9743    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
81054572

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BindingDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
29143

> <PUBCHEM_SUBSTANCE_SYNONYM>
substituted chalcone, 5j

> <PUBCHEM_XREF_EXT_ID>
29143

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.bindingDB.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29143

> <PUBCHEM_CID_ASSOCIATIONS>
637760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$