73675
  -OEChem-04242419513D

 37 39  0     0  0  0  0  0  0999 V2000
   -0.0687   -0.7892   -0.5772 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.0140    4.7421    0.4146 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9356   -0.2514    0.5212 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830   -2.0811    0.4350 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -2.9211   -0.4372 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2925   -1.6705    0.6723 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272   -2.0369    0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5781    0.9313   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326   -0.6175   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530   -1.3554   -2.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    1.5182    0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6637    0.2690   -0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.6317   -1.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4877   -1.3863    0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9129    2.8055    1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0293    0.3940   -0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6982    2.9189   -1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8533   -1.2612    1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935   -1.3408    1.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481    3.5058    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241   -0.3712    0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222   -2.6341   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326   -1.7795    1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497   -3.0498    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2761   -2.3525   -2.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437   -0.6712   -3.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -1.4012   -2.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0602    0.9948    1.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219    0.8734   -1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3484    1.2046   -2.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -2.0886    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    3.2626    2.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6300    1.0866   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    3.4647   -1.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3171   -1.8569    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8582   -0.6013    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901   -3.1429   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5 22  2  0  0  0  0
  6 19  2  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  2  0  0  0  0
 13 30  1  0  0  0  0
 14 18  2  0  0  0  0
 14 31  1  0  0  0  0
 15 20  2  0  0  0  0
 15 32  1  0  0  0  0
 16 21  2  0  0  0  0
 16 33  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
73675

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
10
9
11
15
31
2
29
27
24
5
26
8
20
7
18
21
17
12
19
13
6
16
32
14
22
4
3
30
23
28
25

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
32
1 0.6
10 -0.08
11 -0.15
12 -0.15
13 -0.15
14 -0.15
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 0.04
2 -0.19
20 0.19
21 0.19
22 0.37
28 0.15
29 0.15
3 -0.19
30 0.15
31 0.15
32 0.15
33 0.15
34 0.15
35 0.15
36 0.15
37 0.15
4 0.31
5 -0.71
6 -0.57
7 0.18
8 -0.22
9 -0.22

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
3 4 6 19 cation
3 5 6 22 cation
5 4 5 6 19 22 rings
6 8 11 13 15 17 20 rings
6 9 12 14 16 18 21 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
00011FCB00000001

> <PUBCHEM_MMFF94_ENERGY>
37.4105

> <PUBCHEM_FEATURE_SELFOVERLAP>
28.148

> <PUBCHEM_SHAPE_FINGERPRINT>
10165383 225 17974307708889516925
10756046 70 18060128886188257511
107951 10 17617113833308656292
11578080 2 16951105318811358254
11582403 64 16052637408158207048
12516196 113 18338234864724481186
12549972 3 17822871861079785161
12788726 201 17974282119505944602
12930653 34 17759526964188589195
13004483 165 18049433751806730467
13132413 78 18266175020165394581
13134695 92 18342168951714230349
13140716 1 18048595125403655704
13294875 104 17914894468295206528
13533116 47 18336831996131526875
13681431 1 18342468010197315126
13899415 154 18338248102182562918
14170010 4 18411130338610112419
14787075 74 18187087260639014186
14866123 147 16823897037795507107
14955137 171 18342464728927242670
15230672 131 17757838102520369492
15238133 3 18122080719080007965
15927050 60 17908146830429500486
17357779 13 18196916791284769670
17804303 29 17967535632359450063
17980427 23 17916870110618048777
17980427 26 18127122211241749708
1813 80 18129672884907497694
18785283 64 18261955279105571929
20600515 1 18199760149755513015
20671657 1 18339363067107665255
21033648 29 17701797931064446491
21041028 32 18339923710379104373
21120745 212 18052841151943138780
21524375 3 17695918004618572605
23175994 123 18337674105509998103
23419403 2 18193532546029126508
23557571 272 18051131393849963470
23559900 14 17822013142577820543
283562 15 17974572394987046514
394222 165 18057058005967150449
5104073 3 18265069067089164083
5895379 119 17272599152020107065
6442390 28 17545051849470935051
6443956 14 18410009918781047592
7364860 26 18337109067774858725
81228 2 17763478213620012342
9981440 41 17762331818340301961

> <PUBCHEM_SHAPE_MULTIPOLES>
441.47
7.73
4.4
1.43
8.79
4.76
0.52
-4.39
-1.76
-6.47
-0.52
-0.09
-0.05
0.23

> <PUBCHEM_SHAPE_SELFOVERLAP>
938.399

> <PUBCHEM_SHAPE_VOLUME>
246.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$