63062
    alatis_inchified_mol

 58 60  0     0  0  0  0  0  0999 V2000
   -0.1235   -3.2129    0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8524   -0.8826   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7689    0.3291    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -2.6144   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6599   -2.2554    0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1238   -2.0260   -1.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8388   -2.1966    1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7663   -1.7375   -1.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4814   -1.9081    1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2820    1.4550    1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589    1.6147   -1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    0.3662   -1.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053    0.2059    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767    2.5110    1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535    2.6708   -0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943    0.6127   -1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710    0.4526    0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6465    0.0103   -0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3079    0.3145    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9742   -1.6848   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0026    1.0418   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843    0.1627   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7624    3.1189    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060    0.6543   -0.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294   -1.3784   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0398   -0.0937   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5724   -0.5760    0.5262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6350    4.1493    0.5062 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4477    0.8969   -0.7594 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835   -2.4969    1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -4.0761    0.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9285   -3.5604    1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3499    0.0158   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -1.5805   -0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5278   -1.3757    0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5833   -0.0328    2.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249    1.3474    1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8933    0.3599    2.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -2.3845   -1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2587   -3.3802   -1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7169   -2.4797    0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7632   -2.0718   -1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2565   -2.3746    2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3589   -1.5619   -2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8523   -1.8630    2.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    0.9879    2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3244    1.2728   -2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032    0.3345   -2.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7957    0.0582    1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135    2.8553    2.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9031    3.1357   -1.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    0.7700   -2.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683    0.5083    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776   -0.6864   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0540    0.9260   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9024   -0.6267    0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    1.0450    1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9426    4.4484   -0.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  1  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  5  2  0  0  0  0
  6 42  1  0  0  0  0
  7  5  1  0  0  0  0
  7 43  1  0  0  0  0
  8  6  1  0  0  0  0
  8 44  1  0  0  0  0
  9  7  2  0  0  0  0
  9 45  1  0  0  0  0
 10 14  1  0  0  0  0
 10 46  1  0  0  0  0
 11 15  2  0  0  0  0
 11 47  1  0  0  0  0
 12 16  1  0  0  0  0
 12 48  1  0  0  0  0
 13 17  2  0  0  0  0
 13 49  1  0  0  0  0
 14 23  2  0  0  0  0
 14 50  1  0  0  0  0
 15 23  1  0  0  0  0
 15 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20  8  2  0  0  0  0
 20  9  1  0  0  0  0
 21 10  2  0  0  0  0
 21 11  1  0  0  0  0
 22 12  2  0  0  0  0
 22 13  1  0  0  0  0
 24 16  2  0  0  0  0
 24 17  1  0  0  0  0
 25  4  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 26 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27  2  1  0  0  0  0
 27  3  1  0  0  0  0
 27 18  1  0  0  0  0
 28 23  1  0  0  0  0
 28 58  1  0  0  0  0
 29 19  1  0  0  0  0
 29 24  1  0  0  0  0
M  END

> <PUBCHEM_COMPOUND_CID>
63062

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
3
1
5
4
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
42
1 -0.36
10 -0.15
11 -0.15
13 0.08
14 -0.15
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 -0.15
2 -0.53
20 0.27
21 0.28
22 -0.15
23 -0.15
24 -0.15
25 -0.15
26 0.08
27 -0.15
28 0.27
29 0.27
3 -0.81
32 0.15
33 0.15
37 0.15
38 0.15
39 0.15
4 -0.06
40 0.15
41 0.15
42 0.15
47 0.15
48 0.15
49 0.15
5 -0.17
50 0.15
51 0.15
58 0.45
6 0.03
7 0.14
8 0.03
9 0.03

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
7
1 1 acceptor
1 12 hydrophobe
1 2 donor
1 3 cation
6 6 10 11 13 16 17 rings
6 8 14 15 22 23 26 rings
6 9 18 19 24 25 27 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_CONFORMER_ID>
0000F65600000003

> <PUBCHEM_MMFF94_ENERGY>
104.7644

> <PUBCHEM_FEATURE_SELFOVERLAP>
35.52

> <PUBCHEM_SHAPE_FINGERPRINT>
10 15 13614249204550891150
10165383 225 18267868285637888201
10319926 262 18413101776076089312
104564 63 18411144649879005439
1100329 8 17905049145217889563
11135609 201 17842568336413745297
11315181 36 18113617915403769236
11545043 162 18272646857845430720
12107698 1 18200591518311969864
12236239 1 17822572810521905198
12788726 201 18194139601423554269
13140716 1 18193000318071751095
13149001 5 17550695230972829015
13540713 4 17986692384315438431
14068700 675 18266734856510067965
14400156 188 17827928644175134147
15021287 119 17385732383147834348
15183329 4 17675921002741468250
15439362 3 17835801893930691013
16752209 62 18337103562154468415
17492 54 10158872157586116259
20642791 105 18409172116944109197
21236236 1 18410012134714938869
21756936 100 17560808658883613993
23198884 109 12685077190677677862
23559900 14 18120649390952718328
249057 25 17968385636494317724
283562 15 18410012165539651059
3383291 50 18335138747856403178
350125 39 18411139130107662331
397830 11 18130217260066243752
4409770 3 18342171177272031423
469060 322 18262818357970116857
484985 159 16588316020188278681
5104073 3 18338796720083396874
5171179 24 17773585217510307009
5265222 85 18269562788286316214
559249 180 18408601444923904054
5969126 39 18201711899533815445
6009941 240 18342738465190141024
7226269 152 18337673147742931711
9896288 288 18409173194822502579

> <PUBCHEM_SHAPE_MULTIPOLES>
580.09
17.66
3.69
1.45
48.08
1.58
0
-3.51
3.46
-8.6
0.7
-0.14
0.16
-0.46

> <PUBCHEM_SHAPE_SELFOVERLAP>
1241.025

> <PUBCHEM_SHAPE_VOLUME>
324

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

> <ALATIS_Standard_InChI>
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25+

$$$$