NMPC 329-3,7-Dimethyldecane (28468)
  -OEChem-10152314363D

 38 37  0     1  0  0  0  0  0999 V2000
   -1.7761    0.2008   -0.9343 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7218   -0.1744    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7058    0.3039   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6753   -0.1704    0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567    0.1929    0.6922 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1215   -0.5005   -0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677   -0.4268   -0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9308    1.7189   -1.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7681   -0.0703    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    1.7107    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -1.9467   -0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0549   -0.8381    0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -0.1740   -1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    0.2326    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7073   -1.2669    0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0128   -0.0831   -1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7246    1.3965   -0.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604    0.2606    1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.2566    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163   -0.1997    1.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8117   -0.2909   -1.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9644   -1.5865   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235   -0.1332   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -0.0237   -1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    2.1695   -1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.9694   -1.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145    2.1929   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0943   -0.2487    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9976    1.0004    0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305    2.1729    1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4359    1.9498    0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    2.1765   -0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698   -2.3014   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414   -2.3801    0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2556   -2.3275   -1.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5042   -0.5141    1.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8636   -1.9139    0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7834   -0.6670    0.1233 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  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  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 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  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
M  END
> <PUBCHEM_COMPOUND_CID>
28468

> <PUBCHEM_CONFORMER_RMSD>
0.8

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
7

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 10 hydrophobe
1 11 hydrophobe
1 12 hydrophobe
1 8 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
00006F3400000002

> <PUBCHEM_MMFF94_ENERGY>
7.8916

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.3

> <PUBCHEM_SHAPE_FINGERPRINT>
12032990 46 18333733498410883269
12932764 1 18338783559670286910
13296908 3 18339068316102375068
14252887 29 18335140916249403848
14350574 20 18410863140120758190
17834072 14 9439396926260173315
17834074 16 18411983559090460651
18186145 218 17989200443537058982
19026448 5 17203603826344820765
19422 9 17489299823757259743
1986462 14 17968375632871484398
20281475 54 17845926420247549839
20339313 130 18060136514424610624
20645477 70 18130209468162002254
20828058 21 17676488332643510239
212847 35 16271932614099502843
23402539 116 7997702999575977123
23532345 42 17313381266216848781
23557571 272 17967530155642950444
42 15 17775290452000430323
522135 26 18060703896620614586
6049 1 18336819801938879156
6430166 295 14476966666441506171

> <PUBCHEM_SHAPE_MULTIPOLES>
246.95
9.73
1.54
1.14
3.95
0.16
0.02
-2.67
-1.68
-1.22
0.26
0.32
0.09
1.36

> <PUBCHEM_SHAPE_SELFOVERLAP>
440.633

> <PUBCHEM_SHAPE_VOLUME>
162.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
