60193984
  -OEChem-04232406343D

 64 69  0     1  0  0  0  0  0999 V2000
   -6.1460   -2.0006   -1.7305 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538    3.4423    0.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    0.6508   -2.0658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -6.0823    0.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611    0.8367    0.6448 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146    2.0630   -0.2147 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -1.4566   -0.3014 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    0.5101   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689    0.6780    1.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    0.1558   -0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430    1.8031   -0.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710   -0.6278   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0587    1.0574   -0.5432 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4835   -0.2994   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0846   -2.0224    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139    4.3195    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8363   -0.0381    1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    3.2492    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847   -2.5217   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5739    1.2478   -1.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717    5.6968    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874    5.0548   -0.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727    6.3145    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648   -2.9305    0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    0.0089    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7007   -3.8776    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683   -4.2888    0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666   -4.7541    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5479   -1.0386   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0143    1.1005    0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7792   -0.9949   -0.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2455    1.1445    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6281    0.0969   -0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834   -6.4974    0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589    1.5602    1.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.1887    2.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221   -0.9125   -0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020    0.6256   -1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    1.6931   -1.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350    2.6271   -0.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931    1.1844    0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4994    3.9297    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041    0.2973    2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -1.0807    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2078   -1.5227   -0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872    2.3121   -2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9094    0.7992   -2.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7856    5.9916    0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6525    5.8616    2.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1634    4.7187   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5194    5.1489   -1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    7.2606   -0.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966    6.4163    0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557   -2.6024    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7317   -4.1756   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260   -4.9817    0.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1654    0.7871   -2.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980   -1.8960   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7278    1.9230    1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9064    1.9945    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5866    0.1309   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -7.5810    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572   -6.0513    1.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130   -6.3130   -0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 18  2  0  0  0  0
  3 20  1  0  0  0  0
  3 57  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 41  1  0  0  0  0
 15 19  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 42  1  0  0  0  0
 17 25  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 19 26  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 27  2  0  0  0  0
 24 54  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 28  2  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
 29 31  1  0  0  0  0
 29 58  1  0  0  0  0
 30 32  2  0  0  0  0
 30 59  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193984

> <PUBCHEM_CONFORMER_RMSD>
1

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
39
1 -0.19
10 0.21
11 0.3
12 -0.16
13 0.48
14 -0.33
16 0.05
17 0.41
18 0.58
19 -0.15
2 -0.57
20 0.28
24 -0.15
25 -0.14
26 -0.15
27 -0.15
28 0.08
29 -0.15
3 -0.68
30 -0.15
31 0.19
32 -0.15
33 -0.15
34 0.28
4 -0.36
45 0.27
5 -0.69
54 0.15
55 0.15
56 0.15
57 0.4
58 0.15
59 0.15
6 -0.66
60 0.15
61 0.15
7 0.03
8 0.16
9 0.21

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
13
1 2 acceptor
1 3 acceptor
1 3 donor
1 4 acceptor
1 5 cation
1 7 cation
1 7 donor
4 16 21 22 23 rings
4 5 8 9 10 rings
5 7 12 14 15 19 rings
6 15 19 24 26 27 28 rings
6 25 29 30 31 32 33 rings
6 6 8 11 12 13 14 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
03967CC000000001

> <PUBCHEM_MMFF94_ENERGY>
99.6716

> <PUBCHEM_FEATURE_SELFOVERLAP>
66.156

> <PUBCHEM_SHAPE_FINGERPRINT>
10050765 1 17257369073630468808
10074138 170 17189784262069316945
10411042 1 17905327329885992491
10930396 42 18339346553840043392
10940486 97 17183638593866279086
10985338 1 18128233766300228311
10985338 8 17168146801053149173
11582403 64 17535161639489889889
12202916 173 18130240328419649500
12608794 3 17904167637429399676
13140716 1 18337122207035210018
1361 2 18121776390624916077
13911987 19 18117586044326100924
14415360 78 18192989546341616524
14725015 67 18341612587006347088
15324884 4 17683262604197732425
15484559 13 18341335569150583886
15968369 26 18193531537397646939
16728300 4 17536269792951101304
18681886 176 18342171146437828602
19319366 153 18054496178893937231
19427546 62 18050282867273354233
20642791 105 16899048167616690112
20775438 99 17768244974552109476
21133410 171 16888030568050454963
22393880 68 18342463694330202223
23559900 14 18339643446889301961
23845131 108 17978501271764974113
24771293 8 18202568397675649248
283562 15 18195268650006044700
3886686 26 17980181309249406272
4015057 19 18262521386698934155
4409770 3 16968847356676343331
44280117 145 17403175899132550750
463206 1 18190750722004063707
57527358 35 15696900055140711184
6058803 2 18131067152700362867
6695519 79 17907317781614281395
6700243 42 17195745359181355806
9777508 108 17690565607715972880
9981440 41 17904759230872854177

> <PUBCHEM_SHAPE_MULTIPOLES>
659.88
10.78
9.9
1.24
21.8
6.16
0.36
-11.17
3.32
-12.01
-2.73
-0.09
0.43
-2.3

> <PUBCHEM_SHAPE_SELFOVERLAP>
1449.846

> <PUBCHEM_SHAPE_VOLUME>
361.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$