60193655
  -OEChem-04202401463D

 73 78  0     1  0  0  0  0  0999 V2000
   -6.8470    2.4276    0.8772 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415   -4.0405    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338   -0.8780   -2.5019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846    5.9232    0.8185 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590   -2.1199   -0.3406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8797   -0.3255   -1.1077 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664    1.1308    0.1731 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738   -0.1928   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213   -1.5999   -1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609    0.6731   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -0.3320    0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021    0.4066   -2.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992   -1.3149   -0.2170 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5078    0.1262   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -1.0045    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -0.3173   -2.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657    2.0780   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786   -3.8456    1.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -3.3567    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975    2.3314    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160   -4.2647    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731   -5.2886    1.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605   -1.6083   -1.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119   -5.3536    1.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1670   -0.9529   -1.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651    3.1663   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592    0.9651    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720    3.6086    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    4.4491    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242   -0.5652   -0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607    4.6657    0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5530    0.7781   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8745   -1.5494    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5321    1.1374    0.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8535   -1.1902    1.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1824    0.1532    1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653    6.0800    1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1898   -2.3270   -1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0743   -1.5469   -2.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224    0.6622    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4214   -0.8896    1.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795    0.3915   -2.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368    1.4610   -1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3791   -1.5806    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8600   -0.9620    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642   -2.0675   -0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -1.3361   -2.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282    0.2193   -3.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153   -3.1477    2.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8266   -4.6741   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7281   -3.5345    0.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593   -5.3937    2.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9676   -5.9957    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -2.6686   -1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8788   -1.2893   -1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5238   -5.0238    2.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304   -6.3111    1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0712   -2.0440   -1.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5397   -0.6154   -2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    3.0279   -0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223    1.6810    1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    1.1376   -0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356   -0.0358    0.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2190    3.7239    0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    5.2790    0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0600   -1.0695   -3.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588    1.5560   -0.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6278   -2.5997    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3595   -1.9563    1.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9444    0.4332    2.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276    7.1413    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7085    5.8264    0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345    5.5272    2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 19  2  0  0  0  0
  3 23  1  0  0  0  0
  3 66  1  0  0  0  0
  4 31  1  0  0  0  0
  4 37  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 16  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 20  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 49  1  0  0  0  0
 20 28  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 30  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 29  2  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 31  2  0  0  0  0
 28 64  1  0  0  0  0
 29 31  1  0  0  0  0
 29 65  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 67  1  0  0  0  0
 33 35  2  0  0  0  0
 33 68  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 35 69  1  0  0  0  0
 36 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193655

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
27
23
29
16
63
40
60
70
35
47
51
20
73
9
33
56
49
52
18
54
17
74
58
68
31
72
44
45
48
59
13
12
21
19
5
42
39
38
46
22
36
65
37
11
41
32
69
25
62
6
57
61
26
8
50
10
67
43
28
64
66
15
71
7
14
75
24
4
2
34
55
3
53
30

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
39
1 -0.19
10 -0.18
13 0.48
14 -0.33
15 0.27
16 0.27
18 0.05
19 0.58
2 -0.57
20 -0.15
23 0.28
25 0.41
26 -0.15
27 0.26
28 -0.15
29 -0.15
3 -0.68
30 -0.14
31 0.08
32 -0.15
33 -0.15
34 0.19
35 -0.15
36 -0.15
37 0.28
4 -0.36
5 -0.66
6 -0.81
60 0.15
64 0.15
65 0.15
66 0.4
67 0.15
68 0.15
69 0.15
7 0.05
70 0.15
8 0.18
9 0.3

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
8.4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
12
1 2 acceptor
1 3 acceptor
1 3 donor
1 4 acceptor
1 6 cation
1 7 cation
4 18 21 22 24 rings
5 7 10 14 17 20 rings
6 17 20 26 28 29 31 rings
6 30 32 33 34 35 36 rings
6 5 8 9 10 13 14 rings
6 6 8 11 12 15 16 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
03967B7700000001

> <PUBCHEM_MMFF94_ENERGY>
101.7014

> <PUBCHEM_FEATURE_SELFOVERLAP>
61.075

> <PUBCHEM_SHAPE_FINGERPRINT>
10074138 170 16823869571331495274
10258939 38 16226046644267853558
10675989 125 18271248338583711072
10985338 8 17275114937656304365
11136131 41 18338790212617600057
11399510 152 18190201099924142425
12107183 9 18196655086897097499
12788726 201 17834121844648151934
131258 38 18115026290439611659
13140716 1 18121766499161635620
13782708 43 17531810135007586627
13955234 65 18408882970733509667
14400156 188 18335147479018448626
14400156 260 18125457323177842944
14415360 78 18192726759136472388
14790565 3 17838054063249421741
14849402 71 18339646740828582860
15439362 3 18126570261343462780
15475509 84 18049722910706247669
15878777 1 17761246256703091046
16758388 162 18191871112000174041
16992752 21 17977673013804557118
17980427 26 18268414897012801207
18393751 57 17903355154603363281
19302320 297 17984441642119334217
19319366 153 18198617933742406753
21796203 349 18337959965511928059
23845131 108 17903628927870158410
24771293 8 17987501758729370328
3178227 256 18335984246442851768
3552219 110 17899425182092070518
376196 1 17699847629211920332
4058900 60 18194405717048945053
4144715 1 18337968874006465689
4408954 87 17546466921237797995
5104073 3 18338245869459023819
6058803 2 18058150882546110159
6086070 43 18196915714012668797
6697151 62 18121193434565611239
6703917 75 17829906668896238492
79837 15 17617373326441986377
86090 222 17240771657682228179
9896288 288 17185865104438590330

> <PUBCHEM_SHAPE_MULTIPOLES>
721.62
13.86
8.43
1.65
34.96
3.36
0.63
0.82
-5.74
-18.03
-5.87
0.13
-0.9
-0.46

> <PUBCHEM_SHAPE_SELFOVERLAP>
1573.654

> <PUBCHEM_SHAPE_VOLUME>
397.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$