-OEChem-04131210272D

  9  8  0     0  0  0  0  0  0999 V2000
    1.9948   -3.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -4.6070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3262   -3.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -2.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3262   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314   -4.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9948   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
36532204

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
13865426

> <PUBCHEM_XREF_EXT_ID>
13865426

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.chemspider.com

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.13865426.html

> <PUBCHEM_CID_ASSOCIATIONS>
8868  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$