NMPC 301-3,11-Tetradecadien-1-ol (5364465)
  -OEChem-10152314283D

 41 40  0     0  0  0  0  0  0999 V2000
    4.7573    1.6049   -0.2443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2876   -2.6960    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4252   -1.7025   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619   -2.8452   -1.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3885   -1.6562    1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372   -1.5822   -1.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5611   -0.6953    0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537   -1.0922   -0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183    0.7307    0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561    0.1207    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3534    1.4673   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695    0.6160    1.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067    2.8901   -0.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256    1.8717    0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    2.9683   -1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755   -2.4028    1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7174   -3.6824    0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9746   -1.9885   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065   -0.7061   -0.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764   -3.6472   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867   -3.1841   -1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394   -1.3670    2.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910   -2.6604    1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -0.7962   -1.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0519   -1.8120   -2.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1433   -1.0247    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2320   -0.7510    1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1394   -1.7713   -0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5874    1.1763    1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679    0.7971   -0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8765    1.0226   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716    0.8317    2.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.1644    1.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987    3.3984    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295    3.4244   -1.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318    2.6766    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5598    2.2179    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    2.4919   -2.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    2.4757   -0.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    4.0139   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    2.4341   -0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  8 28  1  0  0  0  0
  9 11  2  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5364465

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
30
101
104
147
4
15
146
105
26
54
53
14
90
43
36
98
65
94
124
39
28
24
95
57
67
137
133
41
91
119
23
144
87
106
92
56
27
10
136
99
38
13
109
45
3
47
8
114
78
143
103
21
141
82
33
70
73
35
37
132
123
31
20
22
61
130
19
81
138
16
59
115
102
131
75
9
77
5
6
51
110
34
96
111
29
84
86
108
68
18
142
113
46
88
69
122
2
49
76
64
12
107
100
125
97
42
52
80
63
71
120
83
93
48
40
44
112
135
11
79
145
129
58
139
74
85
17
89
128
121
127
60
62
126
25
140
66
72
134
116
55
118
50
7
117
32

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
15
1 -0.68
10 -0.29
11 -0.29
12 0.14
13 0.14
14 0.28
28 0.15
29 0.15
30 0.15
31 0.15
41 0.4
6 0.14
7 0.14
8 -0.29
9 -0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
10

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 1 acceptor
1 1 donor
1 15 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
0051DAF100000001

> <PUBCHEM_MMFF94_ENERGY>
-0.4288

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
11221954 11 18338510820751943407
12596602 18 16588873515353891672
14251764 38 18266447724771498369
14466204 15 18048310042776411522
14957384 54 18263347136530838938
20621476 13 18123179108988453957
20621476 82 18335419080128238561
23590187 86 18339923710399995505
3187 122 18188216532400548651
3524813 1 18340774723857341347
54672768 99 18194681462876815056
8050 44 18341052900457632171
9862522 239 18199452411506980962

> <PUBCHEM_SHAPE_MULTIPOLES>
302.82
7.88
4.05
1.3
3.9
0.53
-0.05
6.18
1.89
-0.99
-1.22
0.15
-0.07
2.17

> <PUBCHEM_SHAPE_SELFOVERLAP>
552.181

> <PUBCHEM_SHAPE_VOLUME>
192

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
