9775
 OpenBabel05082101303D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.4400    1.4550    0.6037 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380   -1.4559    0.5943 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9930    0.0060   -1.4608 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    1.0899   -0.5082 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151   -0.0084    1.3614 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385   -1.0918   -0.5139 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204    0.0024   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817    0.0028    0.0512 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>
9775

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 -0.29
2 -0.29
3 -0.34
4 -0.34
5 -0.34
6 -0.34
7 0.92
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>
0000262F00000001

>  <PUBCHEM_MMFF94_ENERGY>
1.0127

>  <PUBCHEM_FEATURE_SELFOVERLAP>
0

>  <PUBCHEM_SHAPE_FINGERPRINT>
21040471 1 18196097650869352753
23552333 60 17604704620248886499
24536 1 18410565189063716673
29004967 10 17980215384612083475
5084963 1 17984707710166729185
5943 1 8211006202153596501

>  <PUBCHEM_SHAPE_MULTIPOLES>
139.28
1.94
1.48
1.1
0.07
0
0.07
-0.01
-0.15
-0.6
-0.19
-0.02
0
0

>  <PUBCHEM_SHAPE_SELFOVERLAP>
253.069

>  <PUBCHEM_SHAPE_VOLUME>
91.4

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
