151263
  -OEChem-04242404453D

 26 25  0     1  0  0  0  0  0999 V2000
    0.5161   -1.1615   -1.2336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5969    1.4824    1.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553    1.0513   -0.8381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9217    1.2283   -0.4583 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475   -0.2382    0.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8171   -1.2628    0.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -0.3868   -0.0350 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5879    0.6970   -0.1630 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9042    0.1766    0.2419 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9990    0.1322   -0.4229 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9978   -0.8855    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4940   -0.8330    0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569   -1.0642    0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543    1.3794   -0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9163    0.7762    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0464   -0.3560   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0890   -1.4561   -0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115   -1.5781    1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5471   -0.3470    1.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -1.7234    0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7781   -0.5711   -1.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    0.8819    1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549    1.8767   -0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    1.8272   -1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3929    0.3787   -0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824   -1.7110   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
151263

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
2
6
23
16
19
13
14
3
18
12
11
5
1
9
22
4
15
8
17
20
21
7
10

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
18
1 -0.68
10 0.28
11 0.28
12 0.28
2 -0.68
21 0.4
22 0.4
23 0.4
24 0.4
25 0.4
26 0.4
3 -0.68
4 -0.68
5 -0.68
6 -0.68
7 0.28
8 0.28
9 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
12
1 1 acceptor
1 1 donor
1 2 acceptor
1 2 donor
1 3 acceptor
1 3 donor
1 4 acceptor
1 4 donor
1 5 acceptor
1 5 donor
1 6 acceptor
1 6 donor

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
00024EDF00000002

> <PUBCHEM_MMFF94_ENERGY>
27.9894

> <PUBCHEM_FEATURE_SELFOVERLAP>
60.937

> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 18130786776201415739
11062470 55 18335134241854537860
11769659 78 18040427789586583442
12932764 1 18130784607010907077
14325111 11 18260829302036874532
16945 1 17275106132445397980
177051 138 18408041814436968074
18186145 218 13912603896355041535
20201158 50 18411980230828098071
21061003 4 17775002401344400401
21501925 9 18260824929828719522
23402539 116 18261659382288188181
29004967 10 18060144232285448227
3248919 1 18272376325859749557
5084963 1 18334575724608013904
57812782 119 17967530181507536914

> <PUBCHEM_SHAPE_MULTIPOLES>
211.74
6.1
1.32
0.91
1.42
0.11
-0.06
-1.5
0.89
-0.58
0.03
0.05
0.01
0.09

> <PUBCHEM_SHAPE_SELFOVERLAP>
397.824

> <PUBCHEM_SHAPE_VOLUME>
131.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$