66187
  -OEChem-10091912533D

 19 18  0     0  0  0  0  0  0999 V2000
    0.0009   -0.4934   -0.0003 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.0852    0.4858    0.8262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068    0.4624   -0.8228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105   -1.6009   -1.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -1.6277    1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035    1.3921    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120    1.3816   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -2.2718   -1.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173   -1.0006   -1.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -2.2086   -0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -2.2811    1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4053   -1.0427    1.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129   -2.2535    0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    1.9608    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2999    2.1030   -0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928    0.8575   -0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5738    0.8606    0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    1.9223   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982    2.1157    0.4348 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
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66187

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
5
6
3
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
7
1 0.76
2 -0.58
3 -0.58
4 -0.08
5 -0.08
6 0.28
7 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
0001028B00000001

> <PUBCHEM_MMFF94_ENERGY>
7.8455

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 11802892488426594091
16714656 1 17764314237804979916
21040471 1 18261101972156743464
29004967 10 17484518932504293215
5084963 1 18047436067943170844
5943 1 8705704838463531174
68250623 7 18338776979664812590

> <PUBCHEM_SHAPE_MULTIPOLES>
150.53
2.13
2.01
1.21
0.02
0.18
0
-1.12
-0.02
-0.01
0.02
-0.01
0.48
0.76

> <PUBCHEM_SHAPE_SELFOVERLAP>
251.3

> <PUBCHEM_SHAPE_VOLUME>
103.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$