NMPC 265-2-methyldecane (23415)
  -OEChem-10132317233D

 35 34  0     0  0  0  0  0  0999 V2000
   -1.5688    1.1126   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    0.3355    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9561    0.9240    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    0.6000   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5214   -0.5081    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0891   -0.1153    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4513    0.1289   -0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031   -0.9870   -1.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8990   -0.6100    0.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -0.5458    0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256   -0.3347   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6010    0.8759   -1.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278    2.1824   -0.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344   -0.7396    0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3874    0.6025    1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9130    1.2537    1.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6554    1.6032   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1332    1.6793   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090    0.2836   -1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -1.1776    0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8863   -1.1933    0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225    0.2199    1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    1.2072   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371   -0.2545   -1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0891   -1.9676   -1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097   -1.1023   -1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1807   -0.2922   -1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8529   -0.2879    1.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6315    0.0198    0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2653   -1.6418    0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041   -0.1445    1.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3773   -1.6215    0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7128   -0.8243    0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    0.7309   -0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9382   -0.7558   -1.1768 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 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  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 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  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
M  END
> <PUBCHEM_COMPOUND_CID>
23415

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
7

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 11 hydrophobe
3 5 8 9 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
00005B7700000001

> <PUBCHEM_MMFF94_ENERGY>
0.7501

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
10680689 15 18272647935280841405
11401426 45 10953743309254507784
114248 4 15791451534746293866
13214271 11 14405185075734449721
13288520 33 18334860510951677773
13690532 89 17821449062346172392
14123238 8 18408885131655589908
14123255 352 10447929468511298714
1420 363 18334299768775029050
14251718 22 16443068317929569530
14350574 20 17023191556307825337
15501527 16 10735873980324662178
17834072 33 18410013260750952476
17834076 25 8502654805263446560
18342897 14 14045741521557882050
200 152 17822007605563064052
20112054 13 14045748118791256769
20281389 69 11383832654115803458
20300324 65 13623525762536922623
20645477 56 10809343334850870741
20645477 70 13912589529985057016
20671657 53 17603590741818680365
20719005 15 18260831492865762936
20724930 69 11095883765445668676
20767249 213 11959731560472503571
20828058 44 17275102842495109598
21426921 1 18114460050821518181
22485316 2 18201717323481306854
23402539 116 17894909599025174908
23402655 69 15140949634857764702
351380 3 18408602565240591802
42788 4 18186522094729809864
49783359 22 17703785920869586166
57265010 4 16630531752162849555
57483677 66 18341611478419319094

> <PUBCHEM_SHAPE_MULTIPOLES>
226.37
12.79
1.04
0.91
10.63
0.08
-0.11
-4.04
0.95
-0.76
-0.1
-0.71
-0.17
-0.26

> <PUBCHEM_SHAPE_SELFOVERLAP>
398.336

> <PUBCHEM_SHAPE_VOLUME>
150.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
