136143
  -OEChem-04262414343D

 27 27  0     0  0  0  0  0  0999 V2000
    2.0818   -0.5787   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261    0.7945    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826   -1.5196   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8247    1.6109   -0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1249   -1.8052    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397    2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011    1.0109    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075   -0.0912   -0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8077   -0.4311   -0.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.0799    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0877    0.6855    1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    1.3629    0.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777   -1.1483   -1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636   -2.4730   -0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097    2.5042   -0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056    1.0746   -1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0847   -2.8723    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -1.2842    1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3786    2.8151    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0306    2.6469   -0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7769   -2.2159   -0.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488   -1.7355    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.5991    1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    1.5097    0.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2836    0.0738   -1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8738   -0.0313   -0.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136143

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
6
3
4
2
5

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
000213CF00000001

> <PUBCHEM_MMFF94_ENERGY>
16.4536

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
16945 1 18269553849356663686
18185500 45 18338514136345389623
21040471 1 17978511927610061738
21922407 69 15072325716817445704
241688 4 18338516339573915904
2748010 2 18339078314590879398
5084963 1 18272646805609360714
66348 1 18411135831351109346

> <PUBCHEM_SHAPE_MULTIPOLES>
185.22
2.49
2.49
0.79
0.15
0.23
0
-0.23
0
-0.15
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
342.338

> <PUBCHEM_SHAPE_VOLUME>
114.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$