6397
  -OEChem-04252423063D

 14 13  0     0  0  0  0  0  0999 V2000
    1.9889   -0.0018   -0.0010 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0686    0.0001    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6420   -1.3485   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394   -0.3159    1.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    1.6660   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2796   -2.3265   -0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349   -1.3907   -1.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792   -1.1819   -2.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769   -1.2820    2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752    0.4594    2.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -0.3250    1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7316    1.7205   -0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    2.4644    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760    1.8679   -1.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6397

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.37
2 0.61
3 -0.08
4 -0.08
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>
000018FD00000001

> <PUBCHEM_MMFF94_ENERGY>
-0.2967

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 15157808120308158334
16714656 1 10538655975562331762
24536 1 16773794797109586442
5943 1 12029229675486213505

> <PUBCHEM_SHAPE_MULTIPOLES>
122.98
1.65
1.51
1.51
1.26
0.44
0.54
0
0
-0.51
-0.54
-0.51
-0.44
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
188.527

> <PUBCHEM_SHAPE_VOLUME>
89.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$