5367762
 OpenBabel05082101313D

 24 23  0  0  0  0  0  0  0  0999 V2000
    0.7443    0.2196    0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186    0.3609   -1.6450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135   -0.1692    0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0164    0.8655    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451   -1.2716   -0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4896    0.2808   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.2920   -0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1468    1.5905    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654   -0.9321    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4779   -1.2364    0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918    0.3215    0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0154   -0.6244    1.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752    1.6181    1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381    1.3888   -0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1089   -0.8611   -1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801   -1.9668   -0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1188   -1.8486   -0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9900    1.4832    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314    2.2660    0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002    2.0687   -0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683   -1.8111   -0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9365   -1.8729   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1018   -0.3454    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942   -1.7788    1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  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 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  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>
5367762

>  <PUBCHEM_CONFORMER_RMSD>
0.6

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

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
9
1 -0.43
10 0.14
2 -0.57
21 0.15
4 0.28
6 -0.12
7 0.71
8 0.14
9 -0.29

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 10 hydrophobe
1 2 acceptor
1 5 hydrophobe
1 8 hydrophobe

>  <PUBCHEM_HEAVY_ATOM_COUNT>
10

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
1

>  <PUBCHEM_CONFORMER_ID>
0051E7D20000001D

>  <PUBCHEM_MMFF94_ENERGY>
16.2429

>  <PUBCHEM_FEATURE_SELFOVERLAP>
20.298

>  <PUBCHEM_SHAPE_FINGERPRINT>
12897270 3 11530482212019010274
12932764 1 17275095163415454592
14128692 85 17386850684887939795
14325111 11 18413668002514290904
15310529 11 18130500920442680048
177051 138 18337111262777752483
20671657 53 17168135793220143247
20711985 327 17240197755450983300
20715346 28 17846490409862572984
21293036 1 15357698616914993082
23402539 116 18130211663481393621
3248919 1 18338784659393021672
449060 23 18186519933892132059
8030462 33 14923934618505690976

>  <PUBCHEM_SHAPE_MULTIPOLES>
194.06
5.55
1.41
0.97
0.76
0.03
-0.29
-2.08
1.2
-0.62
0.1
0.23
0.06
0.33

>  <PUBCHEM_SHAPE_SELFOVERLAP>
360.352

>  <PUBCHEM_SHAPE_VOLUME>
122.5

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
