22184
  -OEChem-10101916223D

 53 52  0     0  0  0  0  0  0999 V2000
   10.4397    1.1090   -0.0817 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0205   -1.1897    1.7705 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0959   -1.5271   -1.4867 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8878   -0.1873    0.0166 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028   -0.2511   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    0.6450   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185    0.5319    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8210   -0.1903   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2596   -0.3632    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    0.6556   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5440    0.4708    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4143   -0.1246    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7853   -0.4236    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6939    0.7156   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1009    0.3594    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9745   -0.1283   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3419   -0.5340   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    0.7147   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6247    0.2983    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8617   -0.5812   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -0.9082    0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942   -0.9019   -0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4671    1.3025    0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4883    1.2881   -0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    1.2006   -0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0337    1.1710    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8357   -0.8367    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8215   -0.8525   -0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2474   -1.0024   -0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2356   -1.0249    0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0672    1.3591    0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1011    1.2660   -0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5653    1.0949    0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5588    1.1472   -0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269   -0.7069    0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276   -0.8536   -0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7568   -1.1149    0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7621   -1.0390   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.3297   -0.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7157    1.4075    0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1225    1.0620   -0.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1309    0.9626    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9481   -0.8164   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9827   -0.7533    0.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3326   -1.2306    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3151   -1.1371   -0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2210    1.4551    0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    1.2869   -1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6288    1.0078   -0.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6654    0.8855    0.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9049   -1.2833    0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8676   -1.1569   -0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7667    0.0338   -0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22184

> <PUBCHEM_CONFORMER_RMSD>
1.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
20
38
14
10
2
17
22
16
24
44
26
32
23
3
25
30
12
27
42
6
9
28
41
21
18
34
36
40
7
19
43
8
33
4
13
45
31
5
35
15
29
39
11
37

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.37
18 -0.08
2 -0.37
3 -0.37
4 1.19

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
15

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 20 hydrophobe

> <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>
000056A800000001

> <PUBCHEM_MMFF94_ENERGY>
-1.3068

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
14202775 3 18272939332017862383
14251764 46 18187364333584800717
14251920 1 18411419509614426820
15061470 23 17894346679289804557
15510794 2 18273219703229675495
20812841 46 18343297098928744992
21362267 20 18408884074942226979
21362267 313 17845660222859842882
232437 2 18186238433488145099
23521765 1 18341895194672457076
23581129 1 18409449193351601565
33684 2 18409166614837217233
59520647 119 18271246118639819270
67123 10 18410856568519965469
8209 1 18407478864784071132
9663363 56 15068339026017366836

> <PUBCHEM_SHAPE_MULTIPOLES>
435.41
51.81
1.08
0.93
69.08
0.14
0.12
7.24
0.16
-2.22
-0.06
-2.66
0.36
-0.04

> <PUBCHEM_SHAPE_SELFOVERLAP>
754.372

> <PUBCHEM_SHAPE_VOLUME>
288

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$