-OEChem-02171214083D

 24 23  0     0  0  0  0  0  0999 V2000
    1.4543    2.2414    0.0002 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4264    4.3012    0.0115 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106    2.2011    0.0212 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547    4.2853    2.9766 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4104    6.5186    1.5063 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -0.7192   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -0.7538    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883    7.2578    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    7.2442    2.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165    1.3653    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.1492    1.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    0.0003   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553   -1.3498    0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3383   -1.3402   -0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8231   -0.5030    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8401   -0.4935   -0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429   -1.8226    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    6.5540   -0.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    7.8726    0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2691    7.8968    0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3114    6.9899    3.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961    8.3168    2.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317    6.9657    3.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
124633315

> <PUBCHEM_SUBSTANCE_VERSION>
1

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

> <PUBCHEM_EXT_DATASOURCE_REGID>
CCG-35460

> <PUBCHEM_SUBSTANCE_SYNONYM>
CCG-35460

> <PUBCHEM_XREF_EXT_ID>
CCG-35460

> <PUBCHEM_CID_ASSOCIATIONS>
5455  1

> <PUBCHEM_CONFORMER_ID>
076DC0E300010001

> <PUBCHEM_COORDINATE_TYPE>
2
3

$$$$