10486
  -OEChem-04232417243D

 14 13  0     0  0  0  0  0  0999 V2000
    1.7293    0.0002    0.0008 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0682    0.0000   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5545    0.0974    1.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5534    1.2048   -0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5532   -1.3024   -0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014   -0.7497    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014    1.0172    1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6495    0.1005    1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2003    2.1470   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1994    1.1607   -1.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    1.2435   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1999   -2.1778   -0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1992   -1.3976   -1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481   -1.3446   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10486

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
2
1 -0.29
2 0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
4 2 3 4 5 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
000028F600000001

> <PUBCHEM_MMFF94_ENERGY>
7.1762

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 11783839987668430830
20096714 4 17463392937673713948
21015797 1 12720391077114514505
5943 1 13513021334440013447

> <PUBCHEM_SHAPE_MULTIPOLES>
104.77
1.45
1.24
1.24
0.97
0.06
-0.44
0
0
-0.35
0.45
-0.35
-0.06
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
173.119

> <PUBCHEM_SHAPE_VOLUME>
75

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$