9632
 OpenBabel05082101303D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -0.8171   -0.1848    1.6548 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    1.1587   -0.4996 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2159   -1.0069   -0.7424 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638    1.0850    0.1396 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835   -1.0858    0.0012 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5957    0.0073   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8649    0.0264   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199    0.0985   -1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
9632

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
7
1 -0.29
2 -0.34
3 -0.34
4 -0.34
5 -0.34
6 0.97
7 0.68

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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>
000025A000000003

>  <PUBCHEM_MMFF94_ENERGY>
0.6689

>  <PUBCHEM_FEATURE_SELFOVERLAP>
0

>  <PUBCHEM_SHAPE_FINGERPRINT>
20096714 4 18263919934564642837
24536 1 17385732425564263188
29004967 10 18044943621386223443
5943 1 12055455686688813467

>  <PUBCHEM_SHAPE_MULTIPOLES>
116.83
1.73
1.18
1.09
0.37
0.34
0.04
0.24
-0.03
-0.55
-0.07
0.1
-0.13
0.11

>  <PUBCHEM_SHAPE_SELFOVERLAP>
213.36

>  <PUBCHEM_SHAPE_VOLUME>
75.7

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
