23953
  -OEChem-05042422023D

  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
    0.9385    0.9654    0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506   -1.2008   -0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -0.4013    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575    0.6367   -1.1694 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
M  END
> <PUBCHEM_COMPOUND_CID>
23953

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 0.8
2 -0.2
3 -0.2
4 -0.2
5 -0.2

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
1

> <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>
00005D9100000001

> <PUBCHEM_MMFF94_ENERGY>
0.0201

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
260 1 18410856563934756871

> <PUBCHEM_SHAPE_MULTIPOLES>
38.79
0.94
0.94
0.94
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
37.031

> <PUBCHEM_SHAPE_VOLUME>
38.8

> <PUBCHEM_COORDINATE_TYPE>
10
5
2

$$$$