25248
  -OEChem-10091914563D

 33 32  0     0  0  0  0  0  0999 V2000
   -2.4331   -0.2323   -0.0064 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.4095   -0.0263 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380    1.0340    0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577   -0.1727   -0.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1912    0.4459   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -1.3137    1.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189   -1.3034   -1.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581    0.3878    1.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495   -2.2168   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601    0.4762   -1.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284    0.9560    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    2.3487    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9185   -0.3712   -0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3685    1.0593    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    1.0650   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512   -0.7170    2.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -2.1046    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491   -1.7843    1.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9785   -2.0902   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3178   -0.6995   -2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2344   -1.7794   -1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694    1.4700    1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    0.1864    2.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398   -0.0096    1.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083   -2.7100    0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573   -2.7100   -0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8294   -2.3918    0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558    0.2981   -2.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237    1.5560   -1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    0.1261   -1.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    2.5096    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1686    2.5324   -0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2089    3.0895    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  3  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 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25248

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
13
6
10
3
8
9
12
2
11
4
7
5

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 0.54
10 -0.08
11 0.54
12 0.06
2 0.64
3 -0.45
4 -0.85
5 -0.08
6 -0.08
7 -0.08
8 -0.08
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
000062A000000001

> <PUBCHEM_MMFF94_ENERGY>
18.0078

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10130415 120 18186517687608100161
12162725 195 11241972568382621182
12616999 72 18186813494959385846
12932764 1 18059860562380138602
13296908 3 18412546517712587051
14115302 16 17676213459216156303
14178342 30 18199451324390196811
15375358 24 18409438211141247009
15775835 57 18060414716145878070
16945 1 18339078305995669924
19786989 88 17022905670120328366
20201158 50 18333732420374325987
20279233 1 18341609330265543898
20281407 28 18341897393811620819
20281475 54 18335707143589958459
20523700 14 18333739025986424583
20528008 55 17131825478285280003
20645477 70 18272653419917201126
20711985 365 18120938304317017572
23402539 116 18412267276894239900
23419403 2 13710402522480017241
23552423 10 18197774612370833373
23557571 272 18335693885300657480
23559900 14 18260267400446032490
23598291 2 17899433994963307564
3248919 1 18113333115631845334
74978 22 18271246135528374743
8030462 33 18411424981640060910
81228 2 18264204708103104344

> <PUBCHEM_SHAPE_MULTIPOLES>
272.53
6.5
1.94
1.4
2.02
0.09
-0.02
-1.09
0.07
-0.67
0
-0.26
-0.3
-0.02

> <PUBCHEM_SHAPE_SELFOVERLAP>
472.438

> <PUBCHEM_SHAPE_VOLUME>
181.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$