65434172
  -OEChem-04252409243D

 35 36  0     0  0  0  0  0  0999 V2000
   -1.5930   -2.7054    0.2211 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7876    1.9852   -0.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518   -0.6005   -1.7254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7061   -0.1651    0.5022 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624    2.1289    0.9823 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1260   -0.1750    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6538   -0.3712   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2332   -0.3888   -0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188    0.9475    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837    0.8157   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526    0.0768    1.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6965   -1.3313   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837   -1.5580    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822    0.9137    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0599   -1.3650   -0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7438    0.8157    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526   -0.2424   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437   -1.5578    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3738   -0.3710    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    3.1480   -0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3837   -0.7531    2.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033    0.1401    2.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255    1.0043    1.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0943   -2.2174   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119    1.7811    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5045   -2.2658   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3754    1.6968   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9141   -0.2689   -0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1339   -2.4819    0.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4327   -0.3724    0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530    2.9376    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602    2.2300    1.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756    3.9835   -0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0040    3.3985    0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4037    3.0581   -1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 16  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 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65434172

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
9
31
52
28
39
26
14
51
33
56
18
34
23
37
45
38
43
59
16
44
24
30
60
42
36
48
21
22
7
58
53
19
55
46
50
49
54
41
3
20
13
8
35
1
61
5
32
6
25
47
40
27
57
12
15
17
11
29
2
4
10

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
29
1 -0.19
10 0.08
11 0.3
12 -0.15
13 0.19
14 -0.15
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 -0.15
2 -0.36
20 0.28
24 0.15
25 0.15
26 0.15
27 0.15
28 0.15
29 0.15
3 -0.57
30 0.15
31 0.4
32 0.4
4 -0.48
5 -0.9
6 0.12
7 0.09
8 0.54
9 0.1

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 2 acceptor
1 3 acceptor
1 5 cation
1 5 donor
6 6 9 12 14 15 17 rings
6 7 10 13 16 18 19 rings

> <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>
03E6723C00000009

> <PUBCHEM_MMFF94_ENERGY>
99.6029

> <PUBCHEM_FEATURE_SELFOVERLAP>
30.446

> <PUBCHEM_SHAPE_FINGERPRINT>
10366900 7 18335700576263359018
10498660 4 18186790358134202973
10608611 8 18412539916416405392
10646746 165 18335138648818031292
11552529 35 17773318048505331667
12011746 2 18410004430261242725
12107183 9 17539399934739716474
12173636 292 18335133155349144639
12186901 62 18336264557156559469
12236239 1 17095526197242947047
12403814 3 18201435900344851879
12507560 40 18413668006978095716
12969540 114 18116128062006253823
13675066 3 18059848476801090746
14289901 80 18187368735604519386
14341114 176 18410301315063568520
14787075 74 17605279690631840817
15219456 202 18343302578130153190
15309172 13 16917073282132119007
15375462 6 18411418431588126710
15653759 3 18411981368735773786
17804303 29 18410860957712765575
1813 80 17167863101214163486
18186145 218 18272652316316165154
200 152 17418375791863752010
20510252 161 18411136901262345825
20645477 56 18410011039530082864
20645477 70 17489593321001722430
21033648 29 18336533954912554737
21033650 10 17826260431483877660
22094290 60 18335422365498547551
221357 26 18342455919864565092
22182937 141 18198346156691652569
2297311 6 18336277798377137919
23175994 123 17489874821035911160
23402539 116 18412822512986339567
23493267 7 18340764823730935976
23557571 272 18410581673269739173
23559900 14 18411699864053222070
4028521 119 18186793665279898997
4214541 1 18410294675080948260
474 4 16806460282606785964
5104073 3 18411700976233377362
5281201 14 18341336621823486636
6049 1 18341606031857423456
6287921 2 18121500425648232044
77779 3 18411140242488328622
9709674 26 18341336660093726438

> <PUBCHEM_SHAPE_MULTIPOLES>
382.62
8.89
2.38
1.08
4.18
1.05
0.16
-0.17
-0.26
-1.72
-0.23
0.15
0.09
1.2

> <PUBCHEM_SHAPE_SELFOVERLAP>
821.171

> <PUBCHEM_SHAPE_VOLUME>
212.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$