10409
  -OEChem-10091909243D

 44 44  0     0  0  0  0  0  0999 V2000
   -2.5822    0.1776   -1.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -0.5146    0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817    0.8304   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312   -1.5338   -0.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    1.7090   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969   -2.8325   -0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630    2.3927    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053   -2.6934    0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    3.2594    0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4671   -2.1376   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    2.4906   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476   -2.0692    0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611    1.5721    0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9347   -1.5390   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298    0.9863    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7648   -0.0980   -0.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361   -0.3620    1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786   -0.9248    0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9761    0.6495   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307    1.3781    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855   -1.7864   -1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791   -1.0991   -1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241    1.1181   -1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130    2.4873   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7710   -3.2731    0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219   -3.5501   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3252    3.0417    1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2999    1.6585    1.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8798   -2.0636    1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363   -3.6860    1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6156    3.9674   -0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971    3.8648    1.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361   -2.7698   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -1.1346   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6991    1.9156   -1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    3.2261   -0.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5781   -1.4457    1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9939   -3.0742    1.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591    2.1492    1.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    0.7637    1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8512   -1.6007    0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001   -2.1576   -0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    1.7624    0.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2752    0.5566    1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10409

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.57
14 0.06
15 0.06
16 0.45

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2.8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 1 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
2

> <PUBCHEM_CONFORMER_ID>
000028A900000001

> <PUBCHEM_MMFF94_ENERGY>
8.7261

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10759866 29 17679301030118122692
10967382 1 18410578353185964808
11321824 6 17259333371899267884
12038231 1 18266463105101899058
12539773 59 17703513194814960953
12553582 1 18411705357110938216
12596599 1 17773890700414730806
13122387 1 18337955593139209742
1420 336 17906175049023670858
14251705 54 18337959016043606379
14251711 518 17689997834424444771
14251745 187 18342453747001263384
14251757 5 17332269501820269078
18219364 16 18187647989967268735
192875 21 17831554510561564991
19930381 70 18267024032284408323
20621476 7 17979652138490821177
238 59 17834359652544600103
2748010 2 18050286165475726944
2803657 2 17469872295208488910
2897 32 18121504557353393004
3524813 1 18187074096231605342
44154327 71 18123480379727446673
59345606 82 17978512266944243602
6438718 38 17410198517761369366

> <PUBCHEM_SHAPE_MULTIPOLES>
323.4
5.31
4.35
0.99
0.27
0.38
-0.16
-0.6
-0.71
1.15
0.65
-0.36
0.02
0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
607.524

> <PUBCHEM_SHAPE_VOLUME>
199.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$