11635
 OpenBabel05082101303D

 56 55  0  0  0  0  0  0  0  0999 V2000
    0.7625    1.4246    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.4787   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8675    1.4433   -0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737    1.3815    0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790    1.3676   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1845    1.3503    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4245    1.3019   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2942    1.3069    1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8323    1.1678   -0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7021    1.2634    0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0005   -0.0669    0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0302    0.0197   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8203   -1.3862   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8909   -1.3226    0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9581   -2.6590    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1593   -2.5661   -0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112   -2.7829    1.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1984   -2.7222   -1.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851    2.2762    1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498    0.5130    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    2.4100   -0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159    0.6557   -1.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7818    2.3561   -1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.5981   -1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6358    0.4773    1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    2.2307    1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    2.2309    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3131    0.4783    0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3237    2.2334   -0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554    0.4737   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3992    2.2192   -1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2369    0.4843   -1.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1409    0.4557    1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2182    2.2053    1.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5634    1.1386   -1.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.0618    0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8548    2.1539   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4276    1.3323    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0129   -0.0481    0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195   -0.0113    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0624    0.1130   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3996    0.0266   -1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335   -1.4116   -0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5570   -1.4283   -1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8800   -1.4145    0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5774   -1.3314    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8757   -3.5267   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9575   -2.6966    0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1876   -2.5378   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0810   -3.4518    0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359   -2.0101    2.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001   -2.7039    1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0002   -3.7548    2.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -2.6980   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3693   -3.6810   -2.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3392   -1.9336   -2.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 17  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 18  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
11635

>  <PUBCHEM_CONFORMER_RMSD>
1.4

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

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
15

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 17 hydrophobe
1 18 hydrophobe

>  <PUBCHEM_HEAVY_ATOM_COUNT>
18

>  <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>
1

>  <PUBCHEM_CONFORMER_ID>
00002D730000001F

>  <PUBCHEM_MMFF94_ENERGY>
-0.4115

>  <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

>  <PUBCHEM_SHAPE_FINGERPRINT>
10571361 74 18411415111547654719
13533116 47 18335988584703264384
14211702 104 18340496633220388687
20567600 247 18408322181380383152
20621476 66 8214151754802699045
21585483 132 18335968844337791827
23081809 10 18335434468611678797
29717793 49 17385731292020581500
393628 194 8933908542320672555
531348 171 18261954047252116573
6025842 7 18041011644238000692

>  <PUBCHEM_SHAPE_MULTIPOLES>
370.43
22.76
3.44
1.18
1.68
3.2
-0.02
14.3
-0.39
-0.11
0.01
0.07
0.48
-4.11

>  <PUBCHEM_SHAPE_SELFOVERLAP>
660.174

>  <PUBCHEM_SHAPE_VOLUME>
240.8

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
