62322
  -OEChem-04192418063D

 25 24  0     0  0  0  0  0  0999 V2000
   -0.0002   -0.9669    0.0007 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.2680    0.0079    0.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -0.0066   -0.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5502   -2.0813   -1.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -2.0945    1.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706    0.9086   -0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8627    0.9181    0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787    1.6624    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9878    1.6524   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2608   -2.7541   -1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -1.4857   -2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099   -2.6870   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2851   -2.7546    1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8330   -1.5061    2.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3847   -2.7134    1.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965    0.3607   -1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1297    1.6251   -0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2672    0.3927    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141    1.6451    0.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4665    2.3663   -0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5835    2.2167    1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312    0.9683    0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4601    2.3742    0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135    2.1837   -1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7486    0.9480   -0.6463 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 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62322

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
3
5
6
7
2
4

> <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>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
0000F37200000001

> <PUBCHEM_MMFF94_ENERGY>
3.2588

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10149128 76 18410572864181220405
14817 1 10837641319037784646
170605 34 18339358561592234061
19837323 101 18270965781232179556
20653085 51 18272376394700487016
20653091 64 17907860600480712571
21028194 46 18411425020078690056
21040471 1 18333736831368847384
21524375 3 18410845568818810400
23211744 41 18408327665948124731
23418878 81 17703514285441404734
23552449 11 17831010231141657075
3250762 1 18338537277545557423
5084963 1 18263622048491409774
68250623 7 18410847763547501414
76951 1 17610642820346963930

> <PUBCHEM_SHAPE_MULTIPOLES>
191.69
3.64
2.55
1.18
0.03
0.65
0
-3.91
-0.01
-0.01
0.01
-0.01
0.83
0.58

> <PUBCHEM_SHAPE_SELFOVERLAP>
327.249

> <PUBCHEM_SHAPE_VOLUME>
129.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$