NMPC 1110-Hexadeca-2,6,10,14-tetraen-1-ol, 3,7,11,16-tetramethyl- (5365865)
  -OEChem-12162301343D

 55 54  0     0  0  0  0  0  0999 V2000
    6.1674    0.5189   -1.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7867    3.0091    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656    2.7440   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243    1.8189   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8306    0.7806    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4086   -0.2737    1.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320    0.0876    0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8537    1.6411    0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    1.2347    0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373    0.4852    1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1705   -1.7203    0.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027    1.3224   -1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411   -0.6250    0.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4603    0.8635   -1.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7162   -2.0446    0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312   -1.5508    2.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0824   -2.3628   -0.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9258   -0.8218   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    0.0058   -1.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -2.6534   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7206   -2.4595   -1.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337    3.8406   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003    3.3572    1.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671    2.5318   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267    3.6644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878   -0.1531    2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4872   -0.1033    1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8699   -0.3093   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646   -0.7351    1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4674    1.5707    1.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841    1.6284    1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5643    1.3946    0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163    0.7598    2.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5646   -2.3982    1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7639   -1.9176   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626    0.5611   -1.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1817    0.9206   -1.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253    2.1472   -2.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4550    1.8777   -1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5136    0.5647   -1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479    0.2002   -1.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262   -2.0102    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493   -2.3500    1.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811   -2.0230    2.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8020   -0.9940    2.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146   -1.6641   -0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5679   -0.6259   -2.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1699    0.8439   -1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4177   -3.6728   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765   -1.9562   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657   -2.5642    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691   -1.7287   -2.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7970   -2.2807   -1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622   -3.4595   -2.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1129    1.0218   -2.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 55  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  2  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5365865

> <PUBCHEM_CONFORMER_RMSD>
1.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
2
58
66
36
17
41
24
77
22
68
83
20
39
51
50
27
56
61
35
45
46
76
64
26
60
54
79
21
28
69
25
38
81
59
31
47
67
30
74
29
70
19
42
80
78
10
13
62
15
84
9
73
49
75
57
33
82
32
48
44
34
71
5
40
11
53
16
37
52
6
12
63
23
7
43
65
1
72
85
8
55
14
3
18
4

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
26
1 -0.68
10 0.14
11 0.14
12 0.14
13 -0.28
14 0.14
15 -0.29
16 0.14
17 -0.28
18 -0.29
19 0.42
2 0.14
20 0.14
21 0.14
3 0.14
30 0.15
31 0.15
4 -0.28
42 0.15
46 0.15
5 -0.28
55 0.4
6 0.14
7 0.14
8 -0.29
9 -0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
10

> <PUBCHEM_PHARMACOPHORE_FEATURES>
9
1 1 acceptor
1 1 donor
1 12 hydrophobe
1 14 hydrophobe
1 16 hydrophobe
3 17 20 21 hydrophobe
4 2 3 4 8 hydrophobe
4 5 6 11 15 hydrophobe
4 7 9 10 13 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
0051E06900000002

> <PUBCHEM_MMFF94_ENERGY>
18.2836

> <PUBCHEM_FEATURE_SELFOVERLAP>
45.713

> <PUBCHEM_SHAPE_FINGERPRINT>
10759866 29 18114181878837824642
10906281 52 18120377558505277897
11014199 57 17765429138264511718
11370993 144 17275106141035320088
12467345 10 18041573532490240868
12553582 1 18337948008322287442
12596602 18 17530973500746910522
12633257 1 17775287200789231241
12788726 201 18409172078257372104
14114206 34 17895739790612769431
14251757 17 17845382046217912390
14251757 5 18335430113841452898
14840074 17 18262531311735170281
15537594 2 18260555523551855610
15685185 35 16955379306110580676
19377110 9 17968087639089363144
20261772 1 18412543219177671723
23559900 14 18201719591572770624
3052486 1 18410298012460708046
338550 245 18191019007294243074
574716 61 17603595157287504412
57583515 115 18411700980839385435
602551 16 18343580720718514536
6437827 68 18197222438907699726

> <PUBCHEM_SHAPE_MULTIPOLES>
426.3
11.82
3.36
1.72
13.36
0.07
0.26
2.89
0.33
-3.43
0.54
1.32
0.58
-1.07

> <PUBCHEM_SHAPE_SELFOVERLAP>
805.867

> <PUBCHEM_SHAPE_VOLUME>
264.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
