-OEChem-07191013252D

 16 18  0     0  0  0  0  0  0999 V2000
  -23.0000  -20.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.0000  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   40.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -58.0000  -20.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0000  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000  -20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.0000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.0000  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0000   50.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4 13  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10452926

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
2826565713

> <PUBCHEM_SUBSTANCE_SYNONYM>
7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-
Bergaptan

> <PUBCHEM_XREF_EXT_ID>
2826565713

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

> <PUBCHEM_CID_ASSOCIATIONS>
2355  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$