6372
  -OEChem-05072414313D

  5  4  0     0  0  0  0  0  0999 V2000
   -1.5859   -0.0001    0.1002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7377    1.0895    0.1354 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378   -1.0895    0.1354 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104    0.0000   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036    0.0000   -1.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6372

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.29
2 -0.34
3 -0.34
4 0.97

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
000018E400000001

> <PUBCHEM_MMFF94_ENERGY>
0.2408

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9726476113679457879
20096714 4 18200600331426501769
21015797 1 8718010671454147015
5943 1 12712229836040469950

> <PUBCHEM_SHAPE_MULTIPOLES>
69.64
1.55
1.02
0.62
0.77
0
-0.04
0
0.09
-0.35
0.08
0.05
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
110.405

> <PUBCHEM_SHAPE_VOLUME>
50.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$