14475611
  -OEChem-10101915533D

 27 26  0     0  0  0  0  0  0999 V2000
    1.5392   -0.0073    0.0915 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    0.0126   -1.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866   -1.3853    1.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087    1.3552    1.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679   -0.0136    0.1735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7836    0.0424   -1.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667    0.0027   -0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131    0.0088   -0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -2.6639    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280    2.6455    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5099    0.0097   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912   -0.0119    0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7999    0.0050    0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2367   -0.8781   -1.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2383    0.9026   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   -0.8971   -0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526    0.8995   -0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7378    0.0213   -1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5884   -2.8314    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7715   -3.4216    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3461   -2.7911   -0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3855    2.7791   -0.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8157    3.3870    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    2.8312    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1353   -0.0413    1.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5201   -0.0108    1.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875    0.0345   -0.5563 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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14475611

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
14
25
21
18
26
23
17
2
13
7
27
6
22
15
19
5
24
9
8
11
16
10
3
20
4
12

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
16
1 0.97
10 0.28
11 0.71
12 -0.14
13 -0.3
2 -0.58
25 0.15
26 0.15
27 0.15
3 -0.58
4 -0.58
5 -0.43
6 -0.57
7 0.2
8 0.28
9 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
7

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 13 hydrophobe
1 6 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
00DCE15B00000001

> <PUBCHEM_MMFF94_ENERGY>
20.6625

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
10366900 7 18187368753000653585
107287 299 18113339712633111771
12500047 106 18187366536876851339
12932764 1 18410564094258480735
13380536 305 18339644546337327112
13533116 47 18335984165355801931
15375462 189 18340483383124753234
15775835 57 18408325501116205295
18186145 218 18271517672035171381
187816 3 18339094735179208630
19784866 140 18268444434035827222
20339313 130 18199752436068063494
20539784 86 18409445907849319873
20559304 39 18341610365363101371
21524375 3 17624111090747831720
21730867 7 18113620083961456907
2255824 54 18342454884845908044
23380061 451 18337395945889109967
23526113 38 17531254915382641233
23557571 272 14562524059855693071
23558518 356 17835231625558491726
23598291 2 17988917924946885069
3060560 45 18273496766900270998
58051976 378 17313108565979760015
81228 2 16750692661587439322

> <PUBCHEM_SHAPE_MULTIPOLES>
256.4
7.4
1.98
1.15
7.4
0.04
-0.17
-0.06
-0.32
-2.15
0.75
0.05
-0.01
0.02

> <PUBCHEM_SHAPE_SELFOVERLAP>
469.479

> <PUBCHEM_SHAPE_VOLUME>
163.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$