10913
  -OEChem-04242418583D

 50 50  0     0  0  0  0  0  0999 V2000
   -0.3231    2.2623   -0.7496 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489    0.5280    0.5393 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    1.3227    0.5331 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -2.2102   -0.1532 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.8921   -1.6812   -0.3075 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2508    1.4350    0.3718 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2772    2.2521   -0.2553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027   -0.9920   -0.1346 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961   -0.1585   -0.2372 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418   -1.4773   -0.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694    1.4935   -2.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9306    4.0400   -0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0718    0.3583    2.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0989    1.3758   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    2.2272    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418    1.0833    2.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -3.3699   -1.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3391   -3.2121    1.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439   -2.7116    1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412   -2.5651   -1.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1229    0.4569   -2.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363    2.0515   -3.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    1.5077   -2.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251    4.5986   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642    4.5413    0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9729    4.0657   -1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9674   -0.2557    2.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471   -0.1127    2.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2579    1.3409    2.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0154    0.7940   -0.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2590    2.3733    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9148    1.4793   -1.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4092    2.3975   -0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    3.1962    1.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    1.6390    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841    0.5605    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997    0.4953    2.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469    2.0508    2.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145   -4.1706   -1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5509   -3.8255   -1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -2.8264   -2.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414   -3.6306    1.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -4.0387    1.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1137   -2.5843    2.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -3.7233    1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348   -2.7871    1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -2.2584    2.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949   -3.5623   -1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   -2.0008   -2.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5296   -2.6738   -1.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  5 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
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10913

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
20
1 0.76
10 -0.59
11 -0.08
12 -0.08
13 -0.08
14 -0.08
15 -0.08
16 -0.08
17 -0.08
18 -0.08
19 -0.08
2 0.76
20 -0.08
3 0.76
4 0.76
5 0.76
6 -0.59
7 -0.59
8 -0.59
9 -0.59

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
00002AA100000001

> <PUBCHEM_MMFF94_ENERGY>
-1.191

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10064457 181 18059315230235028937
10366900 7 17900838045689710547
10382601 240 18408893949086305624
104564 63 18050843626365861940
11370993 70 18270673276742952017
12156800 1 13853290943247105303
12596599 1 17702381745879054295
12633257 1 18129666292185159938
13140716 1 18337107990249829040
14142880 1 18124857208640112276
14178342 30 18125172764256163553
14251745 187 18046912576033893001
16945 1 18409177614079735256
20600515 1 17750786847633327838
20691752 17 18113896040015981515
20905425 154 18271524320465548422
2334 1 17978795936686172316
23557571 272 17342387615639924647
238 59 17906986522938367221
2748010 2 18264210214361505813
2818148 4 17470784112481200199
35225 105 17845354699960587817
3524813 1 17977676311631486735
568465 68 17766267683520662744
81228 2 18338794636597197859
9925002 15 16473455812876236118

> <PUBCHEM_SHAPE_MULTIPOLES>
473.31
5.48
4.98
2.05
0.1
0.77
-0.17
-1.31
-1.55
0.25
1.34
-0.19
0.16
0.85

> <PUBCHEM_SHAPE_SELFOVERLAP>
833.314

> <PUBCHEM_SHAPE_VOLUME>
308.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$