-OEChem-10311114432D

 12 12  0     0  0  0  0  0  0999 V2000
    3.3660   -1.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674   -0.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -0.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
29228786

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
9849

> <PUBCHEM_XREF_EXT_ID>
9849

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.9849.html

> <PUBCHEM_CID_ASSOCIATIONS>
10268  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$