-OEChem-10311114442D

 16 16  0     0  0  0  0  0  0999 V2000
    3.1288   -4.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799   -4.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0087   -3.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1288   -2.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799   -2.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533   -3.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489   -3.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533   -1.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489   -1.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533   -5.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3842   -4.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1288   -6.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0087   -5.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
31529812

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
13924934

> <PUBCHEM_XREF_EXT_ID>
13924934

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.13924934.html

> <PUBCHEM_CID_ASSOCIATIONS>
6781  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$