-OEChem-10201113252D

 28 31  0     1  0  0  0  0  0999 V2000
    0.8068    3.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2209   -2.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6914    8.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3439    6.4329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440    1.7885    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0440    0.3467    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4380    0.3285    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8030   -0.3650    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6790   -0.3832    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3032    2.5367    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8030    2.5185    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4562    1.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790   -1.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5625    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212   -1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    4.0378    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9565    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4197   -2.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413    2.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382   -2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6930    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792   -1.8432    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.1792   -0.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987    4.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377    4.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9952    6.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6942    7.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 23  2  1  6  0  0  0
  3 28  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  1  0  0  0
  6  8  1  0  0  0  0
  6 14  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  1  0  0  0
  8 16  1  6  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  1  0  0  0
 10 15  1  1  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 13 19  1  6  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 16 19  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  1  0  0  0
 18 24  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
11446298

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemBank

> <PUBCHEM_EXT_DATASOURCE_REGID>
NCI60_041946

> <PUBCHEM_SUBSTANCE_SYNONYM>
NCI60_041946

> <PUBCHEM_XREF_EXT_ID>
NCI60_041946

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chembank.broad.harvard.edu

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chembank.broad.harvard.edu/chemistry/viewMolecule.htm?cbid=557666

> <PUBCHEM_CID_ASSOCIATIONS>
222528  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
11  1  6
10  15  5
13  19  6
17  26  5
23  2  6
5  20  5
6  14  5
7  12  5
8  16  6
9  22  5

$$$$