151353
  -OEChem-09162619093D

 39 39  0     0  0  0  0  0  0999 V2000
    2.5722   -1.1290   -0.6891 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4726    1.6939    0.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055    2.9556    2.2649 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210    0.2702   -0.2513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6608   -0.0912   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353    0.5633   -0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229   -1.0684    0.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    1.6265   -1.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496   -1.7734    1.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659    0.2159   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534   -1.4159    1.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4794   -0.4435   -1.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -0.7738    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3097    1.2977    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1417    1.0563   -3.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6425   -3.0265    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4213    1.9169    1.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -1.8746   -1.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1611    2.3504   -1.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577    2.2168   -1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230   -2.0517    2.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997   -1.1128    1.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7726    0.7056   -1.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -2.1864    1.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -1.1512   -1.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.3056   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3109   -1.0451    0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061    0.3566   -3.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9459    1.8674   -3.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401    0.5273   -3.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1258   -3.8076    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357   -3.4200    1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707   -2.8606   -0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835    2.3463    1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1531    1.1680    2.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400   -2.3726   -1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347   -1.2107   -2.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6867   -2.6369   -2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699    3.6643    1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2 14  2  0  0  0  0
  3 17  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 16  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
151353

> <PUBCHEM_CONFORMER_RMSD>
0.8

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
20
1 -0.56
10 -0.15
11 -0.15
12 0.58
13 -0.15
14 0.57
17 0.34
18 0.28
2 -0.57
23 0.15
24 0.15
27 0.15
3 -0.68
39 0.4
4 -0.48
5 0.12
6 -0.14
7 -0.14
8 0.14
9 0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
7

> <PUBCHEM_PHARMACOPHORE_FEATURES>
7
1 1 acceptor
1 15 hydrophobe
1 16 hydrophobe
1 2 acceptor
1 3 acceptor
1 3 donor
6 5 6 7 10 11 13 rings

> <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>
00024F3900000001

> <PUBCHEM_MMFF94_ENERGY>
65.2605

> <PUBCHEM_FEATURE_SELFOVERLAP>
35.532

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 10739793910970789504
12654903 92 17605860202532559735
13132413 78 16392349744483888541
14251745 187 17968104087806836894
14761567 1 17973994064306663093
14817 1 17048575804811449497
15375462 175 17675924291805208535
15852999 172 17835233833034557979
16945 1 18115314371308307291
22344851 12 15719967954555726535
22802520 49 18114198439836020423
23419403 2 18412542107029152764
23526113 38 18411974737606923170
23559900 14 18188219706693032566
2748010 2 17968945330551220211
3286 77 18271536363590691719
5255222 1 18041556915229961095
5845 1 16339722887487827793
68419 9 17115508442245528922
77492 1 16056610871054632149

> <PUBCHEM_SHAPE_MULTIPOLES>
347.84
3.99
2.91
2.39
0.5
0.96
-0.14
1.05
1.78
0.34
-0.76
0.98
-1.95
1.79

> <PUBCHEM_SHAPE_SELFOVERLAP>
704.613

> <PUBCHEM_SHAPE_VOLUME>
202.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$