NMPC 190-2,6,10-Trimethyl tetradecane (85785)
  -OEChem-10102317113D

 53 52  0     1  0  0  0  0  0999 V2000
   -2.4361    1.0694   -0.6577 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8547    2.4811   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5637    2.5548    0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228    1.9012    0.5943 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6265    1.8484   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6480    0.3010    0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -1.1158    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670    1.1081   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519   -2.1116   -0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7444    1.2081   -1.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8990   -0.4133    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916    3.3414    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209   -2.3083    0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0243   -1.1299   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9744   -2.8243    1.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -3.2695   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8867   -2.6407   -0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289    0.5143   -1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753    2.9661   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6118    3.0910    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266    2.1639    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293    3.6186    0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234    1.4523    1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085    2.2948   -1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604    0.8030   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3315    0.8797    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.2363    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2094   -1.0714    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4101   -1.5080    1.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0184    1.3630    0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1598    1.4185   -1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954   -1.7909   -1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8692   -3.0799   -0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5946    1.8211   -2.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1114    0.2343   -1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5262    1.6790   -0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422   -0.7138   -0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883   -0.7276    1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955   -1.3481    0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    3.3584    1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727    3.9023    1.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346    3.8730   -0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929   -0.8330   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0227   -0.8333   -1.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591   -3.7477    1.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107   -2.0859    2.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -3.0375    2.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5859   -4.2497   -0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8967   -3.4155   -0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0116   -2.8757   -1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517   -2.9698    0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391   -3.1291   -1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778   -2.9812   -1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  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 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 39  1  0  0  0  0
 14 17  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
85785

> <PUBCHEM_CONFORMER_RMSD>
1.2

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
11

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 10 hydrophobe
1 12 hydrophobe
1 17 hydrophobe
3 13 15 16 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
00014F1900000001

> <PUBCHEM_MMFF94_ENERGY>
13.3397

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.3

> <PUBCHEM_SHAPE_FINGERPRINT>
10616163 171 17832424580693779760
107951 10 17023756597994852657
11458722 379 18122064200087038102
12038231 1 17907860961311109006
13122387 1 18338237046757362346
13402501 40 18411424990114249822
1420 336 18410009948713949810
14251705 54 17615975842572690978
14251745 187 18270113488170128050
14251757 5 18264230087761032990
14916288 52 18412268354345481342
14931854 50 18049161068822922870
19930381 70 18051691336983775663
20397935 3 18266486285330540214
20621476 13 18340481184402197734
21141583 151 18268153067654299562
23559900 14 18340479054352094160
58250162 1 18048019784538437026
6433294 58 18411985784568835148
8809292 202 18410296895579196284
9709674 26 18266455584603737584

> <PUBCHEM_SHAPE_MULTIPOLES>
349.85
6.93
4.91
1.15
3.41
0.81
-0.13
1.03
1.8
1.2
-0.66
-0.49
0.28
1.95

> <PUBCHEM_SHAPE_SELFOVERLAP>
633.062

> <PUBCHEM_SHAPE_VOLUME>
226.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
