NMPC 158-2,3,5,8- Tetramethyl decane (545611)
  -OEChem-10102317003D

 44 43  0     1  0  0  0  0  0999 V2000
   -0.5778    1.7812   -0.0322 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5951    0.7336    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961   -0.2860   -0.5735 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7146    1.1901   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -1.3434    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409    0.4876    0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602   -0.0196   -0.2623 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2562    2.7704    1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239    0.4242   -1.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124   -0.6058    0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3633   -0.7485    0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -2.2350    1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6284   -1.0449   -1.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2361   -1.1039    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602    2.3675   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473    0.1976    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4573    1.2767    0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -0.8482   -0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4366    0.5167   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2764    2.0094   -1.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755   -2.0037   -0.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121   -0.3530    0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9038    1.1815    1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    0.8308   -0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075    2.2640    1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    3.4976    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1551    3.3298    1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4864    1.1472   -1.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902   -0.2969   -2.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666    0.9611   -2.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193   -1.4292    1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1246    0.1683    1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0410   -1.5479    0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005   -0.1468   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1617   -0.1222    1.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -2.6534    0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1774   -1.6883    1.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0537   -3.0736    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0579   -1.8871   -0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350   -1.4448   -1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549   -0.6024   -2.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057   -2.0091   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9195   -1.3537    1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7150   -0.3380   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  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  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
545611

> <PUBCHEM_CONFORMER_RMSD>
0.8

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
7

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
1 13 hydrophobe
1 14 hydrophobe
1 8 hydrophobe
1 9 hydrophobe
3 5 11 12 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
0008534B00000003

> <PUBCHEM_MMFF94_ENERGY>
20.9049

> <PUBCHEM_FEATURE_SELFOVERLAP>
25.377

> <PUBCHEM_SHAPE_FINGERPRINT>
10618630 7 18342183271061225190
11127187 94 18113894953367916399
11357001 24 18199752457479681161
12186901 62 16588290693130266775
12251169 10 16415760842409430953
12363563 72 18342176686892347118
12553582 1 18059861696256844988
14123255 352 9727628415204066690
14178342 30 18125727781879664576
14251731 5 17971199363605825739
14251764 30 17023764427931399171
19766037 51 18188501288352555811
200 152 16805323258834586924
20112054 13 12031786968050311368
20281475 54 18190184666545635023
20645477 70 18124024887471113671
20671657 53 18040437706729477572
20711983 138 18411702131806211817
20871999 31 17458337529222062517
21061003 4 18343299305702599265
21499 59 8142095247096227905
22959321 94 18407759222731746466
23402539 116 18338230475678705208
23403322 49 18334009484446114186
23526113 38 18193811920993688965
23557571 272 18271248214509031544
23559900 14 18335127705610834168
3086196 2 18342456993870250248
328317 168 9799696969908675043
5902787 121 18335983185127097706
81228 2 18128539262549574201

> <PUBCHEM_SHAPE_MULTIPOLES>
288.11
8.52
2.28
1.3
6.61
0.89
-0.37
-5.74
0.77
-0.94
0.87
-0.42
0.01
0.6

> <PUBCHEM_SHAPE_SELFOVERLAP>
522.161

> <PUBCHEM_SHAPE_VOLUME>
188.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
