-OEChem-06111213163D

 22 21  0     0  0  0  0  0  0999 V2000
    1.1348    2.1897    0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0728    2.0926    0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907   -2.5720    0.0149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.5336    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126   -2.0635    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0184    1.5028    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151    3.6415    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505    4.1711    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9435   -0.1821    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605   -0.1726   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5123   -0.3556   -0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293   -0.3651    0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9024   -2.4150   -0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854   -2.4246    0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    4.0026   -0.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050    3.9930    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283   -3.5790    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892   -2.3115    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    3.8100    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0607    3.8196   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    5.2610    0.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
124634417

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
Center for Chemical Genomics, University of Michigan

> <PUBCHEM_EXT_DATASOURCE_REGID>
CCG-36562

> <PUBCHEM_SUBSTANCE_SYNONYM>
CCG-36562

> <PUBCHEM_XREF_EXT_ID>
CCG-36562

> <PUBCHEM_CID_ASSOCIATIONS>
23365  1

> <PUBCHEM_CONFORMER_ID>
076DC53100010001

> <PUBCHEM_COORDINATE_TYPE>
2
3

$$$$