NMPC 289-2-tetradecene (33650)
  -OEChem-10132317303D

 42 41  0     0  0  0  0  0  0999 V2000
   -1.5764    0.8488    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2153    0.3810   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6982   -0.0825   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462    1.2661    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0807    0.3230    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3147    0.7568   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2069   -0.5920   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820    1.6089    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5508   -0.1847    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8788    1.0895   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6683   -1.1130   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683   -0.2640    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4611   -1.3453   -0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7452   -2.6923    0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744    1.8692   -0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5576    0.8787    1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    0.3586   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361   -0.6482    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4805   -1.1062    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189   -0.1005   -1.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7950    2.2867   -0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356    1.3228    1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2939    1.3531   -0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604    0.3222    1.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    0.7296   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -0.2768    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2650   -0.5541   -1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9789   -1.6286    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051    1.6959    1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3781    2.6260   -0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4880   -0.2035    1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7950    0.8428    0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6274    1.7941    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    1.0767   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7790   -1.0958   -1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6197   -0.8028    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4697   -2.1442    0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1393   -0.3472    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4937   -1.2637   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7483   -3.0183   -0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6894   -2.6964    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0226   -3.4204   -0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  3  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
33650

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
117
30
127
73
120
3
18
146
24
148
163
49
21
60
114
13
65
36
129
63
55
5
128
25
43
88
22
19
52
81
151
142
15
42
33
113
58
162
66
26
115
126
75
16
2
106
150
17
79
145
34
135
107
56
74
23
10
82
53
7
130
68
12
159
101
125
139
4
48
160
61
72
20
157
14
46
51
97
99
103
64
29
62
38
69
28
118
91
119
77
147
41
89
27
87
31
110
92
116
98
121
59
122
123
83
8
109
35
54
136
45
140
94
9
137
131
144
93
104
124
67
32
143
47
86
44
152
96
141
132
39
90
71
37
40
6
133
84
161
50
108
105
78
85
102
112
11
138
153
95
155
57
76
111
100
154
134
70
158
80
149
156

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
10 0.14
12 -0.29
13 -0.29
14 0.14
38 0.15
39 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
10

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 11 hydrophobe
1 14 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
1

> <PUBCHEM_CONFORMER_ID>
0000837200000001

> <PUBCHEM_MMFF94_ENERGY>
-3.7274

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
11858739 19 18334856112746950212
125118 31 11167950164488787811
13073987 5 18271804597410420080
13533116 47 18413670219065594864
13551218 46 18342174444967112390
13668630 136 17894631478908467923
1420 363 17603586344146468345
14251764 18 18060421334748405976
15048467 5 8935001468918232905
16079462 125 12751240272708403809
1768 124 18131631175341392470
17834076 25 16415485978147076573
20165401 70 18343298145851446742
20397935 70 17775008960234286670
20621476 38 18411982438093343031
20621476 66 7925638808710719725
20621476 8 18040714741532780757
20645477 70 18260828181804725768
20767249 213 9151177549904685573
21130983 4 9007062370450205007
21150785 3 16370731443579876942
220451 1 18202002178576356212
22224240 67 12967131614828032437
23402539 116 17704069629804439981
28498 318 18408038495012492541
2916195 48 11743841352583222897
29717793 49 17603587443167615892
3014965 18 18409444769550981223
33532 11 18409448103084386931
3472631 163 10665241332377303202
34797466 226 16805327725236773420
4072396 5 16988564602075358428
42788 4 18343022229178854449
445580 126 8430310204995926846
465052 167 18342740694072361702
57483677 66 18411979178260222422
59755656 215 17458059352917625683
6025842 7 18334299808078873756
6438161 24 17821720612281528346

> <PUBCHEM_SHAPE_MULTIPOLES>
288.11
21.12
1.88
0.69
21.61
1.07
0
12
0.87
-4.03
0.1
-0.04
0.01
-0.28

> <PUBCHEM_SHAPE_SELFOVERLAP>
513.81

> <PUBCHEM_SHAPE_VOLUME>
187.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
