NMPC 325-3,7,11,15-Tetramethyl-2 hexadecene-1-ol (5366244)
  -OEChem-10152314353D

 61 60  0     1  0  0  0  0  0999 V2000
   -0.5321    5.1749    1.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2902   -2.9473    0.0276 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1826   -3.1566   -0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7347   -1.6521    0.5668 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1983   -2.2573    0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -2.4721   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916   -1.5344   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4812   -0.1343    0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993   -1.3542   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554    0.0422   -0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010   -3.2745    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912    0.3899   -0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1030   -2.0461   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2668    0.3130   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012    1.8978   -1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7650    0.1765    1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6668    1.6707   -1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616    2.3793   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914    1.8277   -1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7368    3.2027    0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803    3.7543    1.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816   -3.6694   -0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4538   -4.2057   -0.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -2.9965   -1.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7211   -1.9160    1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9243   -1.2124    0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1595   -2.4373    1.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892   -2.3021   -1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8789   -3.5364   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587   -1.3310   -1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610   -0.7820    0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592    0.3903    1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5347    0.1102    0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8512   -2.1154   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5311   -1.4927    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    0.1894   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    0.7966    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866   -2.4962    2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248   -4.2259    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653   -3.3751    1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7533   -0.1332   -1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4715    0.2208   -1.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3203   -3.0964    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8988   -1.4411    0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1483   -1.9263   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7872   -0.4493   -1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0120    2.4144   -0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2826    2.2336   -2.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.8514    1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8311    0.4193    1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6449   -0.8457    1.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1934    2.4885   -0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3624    1.7510   -2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7518    1.8121   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836    0.7543   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8442    1.9853   -2.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2627    2.2965   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6520    3.5296    1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274    3.4663    2.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    3.4196    0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707    5.5120    1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 61  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 15  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 46  1  0  0  0  0
 15 18  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  1  0  0  0  0
 20 58  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5366244

> <PUBCHEM_CONFORMER_RMSD>
1.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
29
8
96
83
78
11
56
65
86
39
57
49
112
38
99
6
58
52
20
64
41
73
5
68
97
36
74
69
54
115
67
40
9
75
61
30
47
107
46
17
32
72
114
45
23
102
44
100
77
85
82
7
48
4
93
13
43
92
27
37
28
79
80
22
66
50
71
53
21
60
98
113
109
94
42
26
24
2
91
101
33
10
95
59
19
88
18
25
16
103
35
55
31
104
105
87
111
34
81
15
106
62
51
84
14
108
3
70
89
63
90
76
12
110

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 -0.68
15 0.14
18 -0.28
19 0.14
20 -0.29
21 0.42
58 0.15
61 0.4

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
13

> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 1 acceptor
1 1 donor
1 11 hydrophobe
1 13 hydrophobe
1 19 hydrophobe
3 14 16 17 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
0051E1E400000001

> <PUBCHEM_MMFF94_ENERGY>
21.0383

> <PUBCHEM_FEATURE_SELFOVERLAP>
30.448

> <PUBCHEM_SHAPE_FINGERPRINT>
10670039 82 18262534645162659446
11059048 146 17909843032968060072
12788726 201 18336275651626647692
13402501 40 18339923830442711010
14123250 116 18051132493044774417
14251757 5 18191594253664471268
14251764 38 18123467181530537218
14363568 33 18049170161336922121
14647877 51 17981886651335660752
15322535 138 18049434847535074128
20765182 40 18410564107539015032
21734292 116 18338234976830753172
392239 28 18411422821282281408
469060 322 18115043968815146083
5047190 69 18341040935317354680
532947 4 17979626064224154759
5895379 119 17907006279994163666
9980921 221 18124062095363532980
9981440 41 18113899351172653483

> <PUBCHEM_SHAPE_MULTIPOLES>
426.3
11.02
5.96
1.2
13.53
4.8
0.13
-0.22
-1.16
-2.94
2.24
0.24
0.55
-0.42

> <PUBCHEM_SHAPE_SELFOVERLAP>
784.963

> <PUBCHEM_SHAPE_VOLUME>
270.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
