-OEChem-08021211332D

 24 23  0     1  0  0  0  0  0999 V2000
    4.7057   -1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9378   -0.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0718    0.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133    1.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -0.6961    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3397   -1.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    0.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3549   -1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3397   -2.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0718   -0.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398    0.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1277   -0.6135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308   -0.2286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215    0.2419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472   -0.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626   -1.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197   -2.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3397   -2.8161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9597   -2.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3957   -2.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4747   -0.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384    2.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24438458

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
76

> <PUBCHEM_XREF_EXT_ID>
76

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.76.html

> <PUBCHEM_CID_ASSOCIATIONS>
77  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
6  1  3

$$$$