-OEChem-01131113502D

 28 27  0     1  0  0  0  0  0999 V2000
    4.6593   -3.4572    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892   -3.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4998   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8081   -2.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3188   -4.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892   -1.1489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485   -2.3084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891   -2.3084    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6594   -2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593   -1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783   -1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594   -4.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892   -5.7549    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9782   -2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377   -3.4572    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6594   -6.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -5.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9782   -4.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9781   -3.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891   -6.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485   -4.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6376   -2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593   -8.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783   -5.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783   -8.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593   -5.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
35230710

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
13838831

> <PUBCHEM_XREF_EXT_ID>
13838831

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.13838831.html

> <PUBCHEM_CID_ASSOCIATIONS>
11339  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$