9793868
  -OEChem-05092403303D

 26 26  0     0  0  0  0  0  0999 V2000
    2.2846   -0.1312   -1.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8375   -0.9533    0.1853 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9164   -1.2271    0.7386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403    1.5546    0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3198    0.4168   -0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    1.7266   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7359    0.3056    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7399    0.5026   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4998   -0.8525   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   -0.1613    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943   -1.1808   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895    1.3745    1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0848    2.4970    0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8014   -0.5372   -0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3717    0.5924   -1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163    1.9929   -1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615    2.5693    0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2747    1.2464    0.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789    0.1574    1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830   -0.6973   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9655   -1.7951   -0.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944    0.1089   -2.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8821    0.0507    2.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7705   -1.1276    1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3154   -1.7603   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5407   -1.8680   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 23  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9793868

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
7
61
45
56
3
62
65
6
58
14
27
51
37
23
12
21
5
41
22
4
17
24
59
31
52
20
54
38
13
8
48
43
60
28
49
26
10
11
19
32
42
40
9
2
29
57
25
55
18
46
30
33
16
53
39
47
36
15
44
50
63
64
34
35

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
13
1 0.03
10 0.08
11 0.04
2 -0.99
22 0.27
23 0.15
24 0.36
25 0.36
26 0.15
3 -0.57
6 0.18
8 -0.33
9 0.27

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 1 donor
1 2 cation
1 2 donor
3 1 3 11 cation
4 4 5 6 7 hydrophobe
5 1 3 8 10 11 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
2

> <PUBCHEM_CONFORMER_ID>
0095714C00000001

> <PUBCHEM_MMFF94_ENERGY>
-0.9263

> <PUBCHEM_FEATURE_SELFOVERLAP>
30.446

> <PUBCHEM_SHAPE_FINGERPRINT>
10149128 111 9727632825787118571
12897270 3 15285648667997979688
14251710 61 18411705387349535703
14252887 29 18272653467135246458
14390081 3 8214140759364674341
177051 138 18273215305029709055
18186145 218 12829490307601924325
20361792 2 18335699429596807333
20645477 70 18337386153917582767
20767249 442 9223229641709595255
20871998 22 18343021064667580908
21501925 9 18343012315877227785
22485316 2 18410007741327476381
230 275 9295292737558470348
23590187 173 9006790760945171663
449060 23 18339649923303883842
94968 8 18333734640909256683

> <PUBCHEM_SHAPE_MULTIPOLES>
211.43
7.13
1.56
0.91
7.73
0.37
-0.04
-4.33
-0.16
-0.26
0.02
-0.56
-0.09
-0.1

> <PUBCHEM_SHAPE_SELFOVERLAP>
414.431

> <PUBCHEM_SHAPE_VOLUME>
127.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$