9635
 OpenBabel05082101303D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.3270    1.0367   -1.3213 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    0.6257    1.5584 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267   -1.6629   -0.2374 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2986    1.2456    0.1779 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7767    0.9897 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989   -0.4685   -1.1674 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7174   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019    0.0001    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
9635

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 -0.29
2 -0.29
3 -0.29
4 -0.34
5 -0.34
6 -0.34
7 0.87
8 1.02

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
8

>  <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>
000025A300000001

>  <PUBCHEM_MMFF94_ENERGY>
3.432

>  <PUBCHEM_FEATURE_SELFOVERLAP>
0

>  <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 10581313788451985607
21040471 1 17970608715296886453
24536 1 17917710201424745961
29004967 10 17461433917285588499
5084963 1 18121494928116116024
5943 1 17759278414583688963

>  <PUBCHEM_SHAPE_MULTIPOLES>
148.42
1.95
1.44
1.44
0.3
0.34
-0.21
0
0
-0.45
0.21
-0.45
-0.34
0

>  <PUBCHEM_SHAPE_SELFOVERLAP>
259.584

>  <PUBCHEM_SHAPE_VOLUME>
99.9

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
