104812
  -OEChem-05042418463D

  5  4  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.4996   -0.1216   -0.7500 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1417    0.5327   -1.1128 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4545   -1.5064    0.5915 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0967    1.0954    1.2713 O   0  5  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
M  CHG  4   2  -1   3  -1   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
104812

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 0.2
2 -1.05
3 -1.05
4 -1.05
5 -1.05

> <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>
0001996C00000001

> <PUBCHEM_MMFF94_ENERGY>
0.4048

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
21015797 1 14591220673041930604
5943 1 14241820758480257027

> <PUBCHEM_SHAPE_MULTIPOLES>
97.63
1.24
1.24
1.24
0.37
0.27
-0.08
0.09
0.36
-0.26
-0.28
-0.12
-0.35
0.24

> <PUBCHEM_SHAPE_SELFOVERLAP>
159.897

> <PUBCHEM_SHAPE_VOLUME>
66.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$