-OEChem-08271216092D

 13 14  0     0  0  0  0  0  0999 V2000
   17.0000   35.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000   35.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.0000   35.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.0000   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.0000    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000   35.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10436103

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
2728149847

> <PUBCHEM_SUBSTANCE_SYNONYM>
6,7-Dihydroxycoumarin
Esculetin

> <PUBCHEM_XREF_EXT_ID>
2728149847

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

> <PUBCHEM_CID_ASSOCIATIONS>
5281416  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$