87627
  -OEChem-10091910073D

 38 37  0     0  0  0  0  0  0999 V2000
   -2.3052    0.0074   -0.1361 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.3073    0.0021    0.1420 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4092   -0.0204    1.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980    1.3657   -1.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5308   -1.3702   -1.0706 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5839    1.3564    1.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578   -1.3733    1.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3919    0.0142   -1.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5557    0.0284    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5531    0.0360   -0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7999   -0.0392    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818    2.6571   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678   -2.6519   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    2.6502    0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048   -2.6550    0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7869   -0.0075   -0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4486    0.9075    1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336   -0.8442    1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.9239   -1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -0.8288   -1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1049    0.8607    0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3427   -0.0586    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0766   -0.9357    0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7566    3.3956   -1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506    2.8594   -0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624    2.7773    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0476   -2.7916    0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -2.8125   -0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105   -3.4061   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311    2.8492    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449    2.7793   -0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313    3.3859    1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6548   -3.4087    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0846   -2.7871   -0.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -2.8236    0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0746   -0.9204   -0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    0.8760   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    0.0057   -1.8276 H   0  0  0  0  0  0  0  0  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
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
87627

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
14
11
12
16
15
6
19
2
5
18
13
8
3
9
10
7
4
17

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
16
1 0.97
10 -0.08
11 0.28
12 0.28
13 0.28
14 0.28
15 0.28
16 0.28
2 0.97
3 -0.58
4 -0.58
5 -0.58
6 -0.58
7 -0.58
8 -0.58
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
9

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
0001564B00000001

> <PUBCHEM_MMFF94_ENERGY>
23.7926

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10366900 7 18187372051155741945
10922523 26 18115863010272371439
11715629 250 18336819866236742544
12500047 106 18337382747480918508
12553582 1 18410568491893664751
12633257 1 18272650134346314499
12932764 1 18410853265399873536
13296908 3 17822008653624781091
13533116 47 18261673671702469163
15375462 189 18409730638569678354
16945 1 18410845568818479111
17041 50 18202003201227108236
18186145 218 18201715167412979616
200 152 8142078728720358401
2255824 54 18339643446936365184
23557571 272 18268698588361596745
23559900 14 17489597744121685271
23598291 2 18201440341088101221
2871803 45 18267573796445676935
3248919 1 17168133546720054176
45790113 53 18339078173300063835
58051976 100 18342177790910133575
6049 1 18410852165894053188
74978 22 18342167834975234428

> <PUBCHEM_SHAPE_MULTIPOLES>
330.48
8.48
2.75
1.17
0.05
0.01
0
-0.09
-0.02
0
0.01
-0.02
-0.01
0.06

> <PUBCHEM_SHAPE_SELFOVERLAP>
590.168

> <PUBCHEM_SHAPE_VOLUME>
215.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$