NMPC 130-1-Tetradecene (14260)
  -OEChem-10102316193D

 42 41  0     0  0  0  0  0  0999 V2000
    0.5926   -0.3704    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8934    0.4184   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650    0.4939    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -0.3982    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324   -0.3463    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4531    0.4515   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1887    0.5242    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7120   -0.4136   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4910   -0.2715    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    0.4280   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7805    0.5423    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2319   -0.4225   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0204   -0.2969    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9697   -0.3389   -0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083   -0.8645    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5543   -1.1657   -0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640    0.9309   -1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288    1.2062    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846    0.9882   -0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341    1.2829    0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1772   -1.1569   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061   -0.9383    0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -0.8602    1.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738   -1.1197   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4658    1.2091    0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4421    0.9853   -1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1497    1.2931    0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2039    1.0507   -0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6869   -1.1877   -0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308   -0.9282    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4909   -0.7645    1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4932   -1.0762   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9752    0.9231   -1.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0005    1.2154    0.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7542    1.0804   -0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8173    1.3038    0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2814   -0.9047    0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2563   -1.2022   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1249    0.1991   -0.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1543   -0.8894    1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8483   -0.9604   -0.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8893    0.2396   -1.6451 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 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  2  0  0  0  0
 13 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>
14260

> <PUBCHEM_CONFORMER_RMSD>
1.2

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
30
4
12
35
29
22
26
16
2
34
10
8
28
6
31
14
23
9
18
33
3
21
43
41
20
37
11
27
40
13
7
24
5
17
42
32
15
36
25
38
19
39

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
11 0.14
13 -0.29
14 -0.3
40 0.15
41 0.15
42 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
11

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 12 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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
000037B400000001

> <PUBCHEM_MMFF94_ENERGY>
-2.3973

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
10968037 39 18335421271078361659
11315181 36 18259708913285333393
11638347 137 15339124512165151254
12091667 2 18341896290901792129
14123256 10 18410856559639796071
14251764 18 18410575071867893522
14251764 46 18410012134725514347
14729087 3 14851597779148752751
17834076 25 18410575084663091929
18006028 8 18341894095240281921
20621476 8 15285354016124902042
21150785 3 17989205949526909239
21315763 28 18202002127089664888
22224240 67 17632574959580754062
23521765 1 18341895190350960104
246663 6 16200433585338663807
28498 318 16081083762770263906
33684 2 18260829293351968427
42788 4 18410294709678160945
4325135 7 18409166614573551415
57583515 80 14851606583678799713
8209 1 18410575084673634916

> <PUBCHEM_SHAPE_MULTIPOLES>
288.11
26.6
0.79
0.67
2.55
0.02
-0.03
-2.45
-2.63
0.05
0
-0.35
-0.01
-0.16

> <PUBCHEM_SHAPE_SELFOVERLAP>
512.212

> <PUBCHEM_SHAPE_VOLUME>
187.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
