-OEChem-03101014052D

 16 17  0     0  0  0  0  0  0999 V2000
   18.0000   45.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   25.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.0000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000   25.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000   25.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000   25.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000  -15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000  -15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -69.0000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -69.0000   -5.0000    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>
10450168

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
2168011149

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Propen-1-one, 1,3-diphenyl-, (E)-
trans-Chalcone

> <PUBCHEM_XREF_EXT_ID>
2168011149

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
637760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$