6429
 OpenBabel05082101303D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.8822   -1.1046    0.0198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8822    1.1046    0.0194 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9255    1.0163    1.0827 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9527    1.0182   -1.0926 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9524   -1.0185   -1.0925 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9258   -1.0160    1.0828 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    0.2337   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.2338   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  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>
6429

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 -0.29
2 -0.29
3 -0.34
4 -0.34
5 -0.34
6 -0.34
7 0.97
8 0.97

>  <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>
0000191D00000003

>  <PUBCHEM_MMFF94_ENERGY>
0.9207

>  <PUBCHEM_FEATURE_SELFOVERLAP>
0

>  <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 14659002154933160723
16714656 1 17753052700352807550
21040471 1 18411700959016609957
24536 1 17969214706203767493
29004967 10 17532386270172229914
5084963 1 18335140830708981221
5943 1 17255620480373008323

>  <PUBCHEM_SHAPE_MULTIPOLES>
139.28
2.27
1.3
1.02
0
0
0.01
0
-0.02
0
0.01
0
0
-0.02

>  <PUBCHEM_SHAPE_SELFOVERLAP>
252.621

>  <PUBCHEM_SHAPE_VOLUME>
91.8

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
