14942
  -OEChem-04262408083D

  9  8  0     0  0  0  0  0  0999 V2000
    0.0001   -0.0001    0.0001 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394    0.9794   -1.3408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -1.4980   -0.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8220    0.6862    1.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.1675    0.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    1.1612   -1.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598   -2.0086   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755    0.8440    1.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    0.6358    0.6208 H   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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14942

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
9
1 1.19
2 -0.7
3 -0.7
4 -0.7
5 -0.7
6 0.4
7 0.4
8 0.4
9 0.4

> <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>
00003A5E00000001

> <PUBCHEM_MMFF94_ENERGY>
0.2882

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
21015797 1 9651968678748487683
5943 1 10300198922978590722

> <PUBCHEM_SHAPE_MULTIPOLES>
97.63
1.23
1.23
1.23
0.46
0.38
0.32
0.02
-0.31
-0.34
-0.01
-0.12
-0.4
-0.14

> <PUBCHEM_SHAPE_SELFOVERLAP>
161.293

> <PUBCHEM_SHAPE_VOLUME>
66.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$