-OEChem-10201113242D

  9  9  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636   -1.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -1.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636   -3.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -2.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -3.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
37912888

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
13884234

> <PUBCHEM_XREF_EXT_ID>
13884234

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.13884234.html

> <PUBCHEM_CID_ASSOCIATIONS>
10787  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$