101536
  -OEChem-09042104273D

 24 23  0     1  0  0  0  0  0999 V2000
   -2.1656    0.8444   -0.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    0.0041    0.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2105    0.6184   -1.7009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1398    0.3729    0.3125 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4883   -1.0469    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0161    1.3833    1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    0.3538   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -2.0366   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -0.0470   -0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370   -0.4464    0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -1.4452    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902   -0.9959    1.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067    2.3659    1.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2843    1.0644    2.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9812    1.5251    1.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -3.0134    0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8967   -2.1737   -0.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6095   -1.7068   -0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9615    1.7637   -0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4408   -0.7834   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148    0.9392   -0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5235   -0.4956    0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735    0.2711    1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3041   -1.4230    1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 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>
101536

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
7
1 -0.68
19 0.4
2 -0.43
3 -0.57
4 0.34
7 0.66
9 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 1 acceptor
1 1 donor
1 3 acceptor
1 8 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>
00018CA000000008

> <PUBCHEM_MMFF94_ENERGY>
8.484

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.306

> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 17560807692135741386
12932764 1 18040445377920570668
13024252 1 14562532838478337877
137420 1 12657038235435460075
14128692 85 18044944712065297470
14577589 140 17967814890647414482
20653085 51 15141230087875190039
23211744 41 17128474016346202089
23402539 116 18060128800695144885
23552449 11 17268923776600634923
3248919 1 18201442446022736324
369184 2 18342174453609463048

> <PUBCHEM_SHAPE_MULTIPOLES>
188.19
3.96
1.51
1.24
4.3
0.39
0.25
0.95
-0.78
-1.3
-0.36
-0.07
-0.25
-0.09

> <PUBCHEM_SHAPE_SELFOVERLAP>
351.533

> <PUBCHEM_SHAPE_VOLUME>
118.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$