103492
  -OEChem-06181320203D

 24 23  0     1  0  0  0  0  0999 V2000
   -0.3617   -0.9281   -0.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734    0.4033    1.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1034    0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173   -1.2014    0.3822 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9554    0.8570   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -2.1642   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6511    2.1693   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704   -0.1096    0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4135    0.0541   -0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4529    0.8162   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4701   -0.1424    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002    0.7757    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331   -1.6916    1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0738    1.0733   -1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385    0.2561   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8559   -1.8205   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563   -2.3304    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835   -3.1318   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339    2.6880   -1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599    1.9969    0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930    2.8306    0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948   -0.4499   -1.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2918    0.9363   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008    1.3331    0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  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 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
103492

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
3
85
7
84
65
48
22
96
17
97
99
42
75
35
61
92
56
63
10
46
86
66
87
82
5
57
94
53
58
93
13
44
27
90
74
51
28
76
88
24
9
31
41
78
33
89
18
19
16
98
2
70
72
15
26
83
37
95
39
79
34
6
77
52
50
59
20
23
8
32
81
40
14
11
62
91
49
80
12
30
55
71
43
4
73
21
29
38
60
67
54
47
1
45
36
69
25
64
68

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
9
1 -0.43
10 -0.3
2 -0.57
22 0.15
23 0.15
24 0.15
4 0.28
8 0.71
9 -0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 10 hydrophobe
1 2 acceptor
1 7 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
0001944400000003

> <PUBCHEM_MMFF94_ENERGY>
14.3609

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
1 1 18409447011930169630
10149128 76 18262234525047100884
10857977 72 15647062538585001053
12932741 1 17822589217397397483
12932764 1 17313946303962199675
14390081 3 18261390078800355557
15775835 57 18263361550351582108
170605 34 18187642530910744313
19973954 147 18263640663222744053
20653085 51 18117847818061048828
20711985 344 15554182371564617953
21028194 46 18190468344772068200
21524375 3 18189608530953113092
228727 97 17561093530799277041
23552423 10 18270956839384939751
3248919 1 18339065022236901323
5084963 1 18129094516100409811

> <PUBCHEM_SHAPE_MULTIPOLES>
194.06
4.55
1.98
0.94
2.99
0.14
0.16
-2.3
-0.83
-2.1
-0.35
0.1
-0.03
-0.04

> <PUBCHEM_SHAPE_SELFOVERLAP>
361.265

> <PUBCHEM_SHAPE_VOLUME>
121.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$