66110
  -OEChem-05042407453D

 15 14  0     0  0  0  0  0  0999 V2000
    0.0002    0.0000    0.0590 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    0.0004    1.7323 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -0.1619   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -1.4379   -0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370    1.5994   -0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -1.0945   -0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576   -0.1623   -1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    0.6714   -0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0201   -1.4415   -1.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6046   -2.3901   -0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0524   -1.3659   -0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679    1.7181   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1572    2.4601   -0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7388    1.6034   -1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974    0.7028    2.1845 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 15  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>
66110

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
1 0.54
15 0.4
2 -0.7
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>
0001023E00000001

> <PUBCHEM_MMFF94_ENERGY>
-1.2055

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
20096714 4 15882051623613943997
24536 1 17260726960217681391
29004967 10 12883601990462477661
5943 1 10816606961513005068

> <PUBCHEM_SHAPE_MULTIPOLES>
115.24
1.54
1.54
1.28
0.72
0.15
0.64
-0.15
-0.44
-0.72
-0.44
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
181.105

> <PUBCHEM_SHAPE_VOLUME>
82.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$