139617
 OpenBabel05082101313D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.1358    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.1358    0.0000    0.0001 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.6603   -1.3505 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6762   -0.8396    1.2470 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763    1.4997    0.1035 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    0.8395   -1.2471 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6764   -1.4996   -0.1034 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761    0.6604    1.3504 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
139617

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 1.23
2 1.23
3 -0.41
4 -0.41
5 -0.41
6 -0.41
7 -0.41
8 -0.41

>  <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>
0002216100000001

>  <PUBCHEM_MMFF94_ENERGY>
-0.1692

>  <PUBCHEM_FEATURE_SELFOVERLAP>
0

>  <PUBCHEM_SHAPE_FINGERPRINT>
15310529 11 18267326311881792454
21040471 1 18268993094216167009
21922407 69 18338515368911320036
23552333 60 16878510179662210489
24536 1 18186237333496397829
29004967 10 18335990855891144146
5084963 1 18120094979230972005

>  <PUBCHEM_SHAPE_MULTIPOLES>
157.42
2.76
1.27
1.27
0
0
0
0
0
0
0
0
0
0

>  <PUBCHEM_SHAPE_SELFOVERLAP>
274.722

>  <PUBCHEM_SHAPE_VOLUME>
101.2

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
