70305750
  -OEChem-04252409193D

 35 37  0     0  0  0  0  0  0999 V2000
   -0.7972    2.4793    1.5572 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1105    1.5848   -0.1338 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.4383    0.5351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -3.4146    0.0556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.3267    1.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.0598    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6700    0.8125    0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133   -1.0812   -0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2332   -2.2872   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843   -0.3901   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0665   -2.3098   -0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832   -2.9176   -0.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1548    2.1068    0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7682    0.5419   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   -0.9911    0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858    0.8780   -0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380    3.1307   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3514    1.5658   -1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8364    2.8602   -1.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330   -0.3239    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8106    1.5453   -0.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342    0.9443   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185   -2.9093    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    0.0380    2.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -0.9946    1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869   -2.7969   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3231   -3.8815   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1880   -0.4574   -0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495   -1.9765    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215    1.3614   -1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3485    4.1447   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2073    1.3556   -1.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2907    3.6573   -1.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7078   -0.7908    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    2.5324   -1.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4 23  3  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70305750

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
32
1 -0.18
11 -0.15
12 -0.15
13 0.18
14 -0.15
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 -0.15
2 -0.19
20 -0.15
21 -0.15
22 0.19
23 0.48
26 0.15
27 0.15
28 0.15
29 0.15
3 -0.62
30 0.15
31 0.15
32 0.15
33 0.15
34 0.15
35 0.15
4 -0.56
5 0.29
6 0.17
7 -0.14
8 0.31
9 0.07

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
1 3 acceptor
1 4 acceptor
6 10 15 16 20 21 22 rings
6 3 6 8 9 11 12 rings
6 7 13 14 17 18 19 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
0430C7D600000001

> <PUBCHEM_MMFF94_ENERGY>
62.5468

> <PUBCHEM_FEATURE_SELFOVERLAP>
25.373

> <PUBCHEM_SHAPE_FINGERPRINT>
10411042 1 17834114521666270959
10498660 4 18342462560268866736
10670039 82 18193859239196866444
10871710 139 17903092348973704532
11045515 52 17977383060134616351
11370993 70 18337106744234903781
12107183 9 18044925789167632490
12403260 363 18125151632990803770
12788726 201 18189325943332564291
13583140 156 17703498978879665842
138480 1 16969141437170876239
13994607 96 18343018917136343877
14251764 38 18121780530324328544
14508225 48 17767955803242592975
14767858 380 18269254847462593637
14790565 3 18126292948216358241
14957384 54 18187078413063822248
17492 54 18338779170931070693
17492 89 18410015451016312906
20101258 96 17832715938343207795
20642791 105 18408878568307316722
20715895 44 17829882140696869021
21049683 271 17544483406391836391
22182313 1 18200051576235025302
22749437 52 18338242535546380972
22907989 373 18341895246449272767
23227448 37 18409730668533982421
23557571 272 18270972365818107478
23559900 14 18129383705440212422
3380486 145 18267888210233254827
350125 39 18268153234720005507
352729 6 18270967838464031387
4371632 12 14113822358532659842
4409770 3 18338792420599938031
469060 322 18194140713709548259
474 4 18121218675798453881
6327066 14 18334853883585662140
7164475 11 18338800129928908878
9981440 41 18336263444775965083

> <PUBCHEM_SHAPE_MULTIPOLES>
457.96
9.85
4.11
1.06
10.44
1.63
-0.14
-6.36
1.64
-4.13
0.41
-0.51
-0.41
0.32

> <PUBCHEM_SHAPE_SELFOVERLAP>
998.797

> <PUBCHEM_SHAPE_VOLUME>
250.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$