66265
  -OEChem-04252405493D

 32 32  0     1  0  0  0  0  0999 V2000
   -4.3623   -0.5618   -0.4670 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037   -2.0488   -0.7186 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931   -1.4227    1.2788 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8025   -0.0959    0.4512 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4713    0.1023   -0.1298 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5074    0.6117    0.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127    0.8867    0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0139   -1.2198   -0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -0.5181   -0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313   -0.1276    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979    2.1489   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199    0.1271    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863    2.4035   -0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4473    1.3927   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1336   -0.7251    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480   -0.9532    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    0.8598   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9064    1.5313    1.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4514   -0.1118    1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    0.7724    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -1.1562   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0513   -2.0422   -0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5926   -1.5026   -1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856   -1.4827   -1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    0.2236   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810   -1.1123    0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5443    2.9418   -0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409    3.3887   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    1.6104   -0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5213    0.2026    0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212   -1.4909    0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8324   -1.0493   -0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66265

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
19
1 -0.34
10 -0.15
11 -0.15
12 -0.14
13 -0.15
14 -0.15
16 1.16
2 -0.34
20 0.36
26 0.15
27 0.15
28 0.15
29 0.15
3 -0.34
4 -0.9
5 0.27
6 0.14
7 -0.14
9 0.27

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 4 cation
1 4 donor
6 7 10 11 12 13 14 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
000102D900000001

> <PUBCHEM_MMFF94_ENERGY>
21.0131

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
11046707 91 18342176674149746482
11315181 36 17458351836501813216
12032990 46 18410294752153073897
12251169 10 11600001059272427008
12553582 1 18335409210214550635
13167823 11 18188487970234224418
13288520 33 18410294696698157596
14508225 48 18334284384055157877
17870717 6 18339933606226133494
187816 3 17748827423032667818
18927931 339 18409174281559906934
19141452 34 18131634517237021663
19433438 38 18410856521496871390
19489759 90 18040996212008529432
1986462 14 18337955593524494060
200 152 17561075882725896860
20300324 65 18260270720455823692
20374829 77 18411415124495100071
20645477 56 18263925423586101229
20645477 70 17903343051337998519
20871998 22 18265331896890136041
20871999 31 18188199919203628325
21061003 4 17489583467771777744
21079973 296 18412824694549845480
21267235 1 18409172129854904163
21426921 1 18335420106551965484
21728266 224 18188757363319991746
22094290 60 18408886217934383552
22213442 358 18411417332145408428
23402539 116 18040435465093808028
23557571 272 18339927017625326132
23559900 14 18410001135931954640
2748010 2 18191004893809973533
2871803 45 18410288103775931542
3286 77 17346595334864265696
5104073 3 18341047429022699760
573450 72 18042113264235354336
7364860 26 18052536857367756537
81228 2 18334574603806659913
83771 10 18343022219887079137

> <PUBCHEM_SHAPE_MULTIPOLES>
302.47
9.53
1.99
0.89
12.94
0.56
0.09
-4.52
-0.74
-2.09
-0.28
-0.11
-0.1
0.52

> <PUBCHEM_SHAPE_SELFOVERLAP>
614.939

> <PUBCHEM_SHAPE_VOLUME>
178.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$