6399
  -OEChem-05221306463D

  8  7  0     0  0  0  0  0  0999 V2000
   -0.7593    1.7316    0.6688 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1204   -1.5239    0.6669 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8795   -0.2089    0.6679 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000   -0.0796 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    0.0012   -1.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0131    0.1137   -2.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.8229   -2.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097   -0.9324   -2.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6399

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.37
2 -0.37
3 -0.37
4 1.19
5 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
000018FF00000001

> <PUBCHEM_MMFF94_ENERGY>
0.5665

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 15823563115364323518
16714656 1 16734920433442901215
29004967 10 14291262171555546739
5943 1 17460062697088352279

> <PUBCHEM_SHAPE_MULTIPOLES>
126.72
1.69
1.69
1.58
0.37
0.82
-1.04
-0.82
0.62
-0.37
0.62
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
187.754

> <PUBCHEM_SHAPE_VOLUME>
94.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$