53933647
  -OEChem-10101915523D

 24 23  0     0  0  0  0  0  0999 V2000
    1.5965    0.4077   -0.0765 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -1.1245   -0.6312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742    0.0079   -0.3336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437    0.3297    1.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1814    0.4432    0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672    0.9712    1.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859    1.6501   -1.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9876   -2.2217    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4618    0.0033    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3707   -0.4669   -0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4090    1.4707    0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.2081    1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    1.6873   -1.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4192    2.6513   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958    1.3698   -2.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    1.9876    1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013    0.9636    0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981    0.3111    2.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2723   -3.1198   -0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881   -2.3865    0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163   -2.0790    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080    0.2145   -1.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022   -0.4760   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982   -1.4826   -1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53933647

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
29
14
42
7
41
31
21
32
35
33
24
6
15
10
23
30
16
5
2
8
20
36
25
37
28
3
38
4
12
44
40
22
26
39
13
11
43
19
9
27
18
34
17

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
10
1 0.54
10 0.06
2 -0.58
3 -0.43
4 -0.57
5 0.2
6 -0.08
7 -0.08
8 0.28
9 0.66

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 4 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
0336F64F00000001

> <PUBCHEM_MMFF94_ENERGY>
7.9902

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10219947 1 18260537957584195728
12932741 1 17022627485336232613
12932764 1 17988655085754085177
15775835 57 17989211455558970729
170605 34 16916500488403760088
20201158 50 18113898255902504122
20645477 70 18201992201778966263
20711985 344 17318158429596730588
21524375 3 16739483643153813268
21730867 7 18272644662663253592
23235687 12 17822571719494690661
23552423 10 18410018714810597159
3248919 1 18260551151528459377
3250762 1 17758936157620539740
8030462 33 18201446895334652221

> <PUBCHEM_SHAPE_MULTIPOLES>
206.4
5.24
1.67
1.32
4.78
0.83
0.06
0.15
0.21
-1.75
-0.41
-0.18
-0.42
-0.17

> <PUBCHEM_SHAPE_SELFOVERLAP>
361.652

> <PUBCHEM_SHAPE_VOLUME>
136.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$