NMPC 1113-Hexadecane, 2,6,10,14-tetramethyl- (12523)
  -OEChem-12162301353D

 62 61  0     1  0  0  0  0  0999 V2000
   -1.9064    1.7990   -0.7048 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3281   -1.1548   -1.1277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3685    1.7011   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7155    0.2213   -0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    0.2978   -0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175    0.8398    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -1.0679   -1.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1423    0.8080    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7778   -0.2146    1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6028   -0.6705    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3145   -0.2817    0.9544 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3287    3.2564   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -2.2359   -0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123   -0.5556   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9486   -0.1062    1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8436   -0.5477   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8550   -1.3136    1.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337    1.2716    1.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507   -0.1411    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4805   -1.9054   -1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1834    1.5184   -1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9579   -1.4541   -2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907    2.4022   -1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579    2.0196    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0264    0.5339    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1233    0.9637   -1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133   -0.4021   -0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1564   -0.0416   -1.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3634    1.1114    1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -0.1834    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2485   -2.0394   -1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164   -0.3491   -2.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5702    1.7944    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3695    0.5581   -0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3494   -1.2055    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5044    0.0411    2.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195    0.2905    0.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4218   -1.4090    0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7071    0.6983    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7673    3.9282   -1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3895    3.4030   -0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1494    3.5690    0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4837   -1.5312   -0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2873    0.1455   -1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -3.1760   -0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8218   -2.4426   -0.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922   -1.9379    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623   -0.8242    1.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5136    0.2418   -1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9390   -0.4737   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4312   -2.3081    1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6044   -1.0218    2.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9455   -1.3875    1.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099    1.2658    1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1829    1.5900    2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5990    2.0258    0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7627   -1.1418    0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241    0.1201    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7185    0.5645   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3965   -2.0375   -1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8993   -2.7258   -0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8836   -1.9917   -2.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 14  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 39  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 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 48  1  0  0  0  0
 16 20  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
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12523

> <PUBCHEM_CONFORMER_RMSD>
1.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
13

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
1 12 hydrophobe
1 13 hydrophobe
1 17 hydrophobe
1 20 hydrophobe
3 15 18 19 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
000030EB00000001

> <PUBCHEM_MMFF94_ENERGY>
19.9576

> <PUBCHEM_FEATURE_SELFOVERLAP>
25.376

> <PUBCHEM_SHAPE_FINGERPRINT>
10 15 18411134749879206936
106641 1 17275103946897849087
10669705 162 11530760367197472360
11211813 128 18341897381528541158
11724838 91 18413105078953009812
12596602 18 17274831211963554979
12670543 26 11458425734593490652
12730499 353 17989209197371836390
12838862 33 18335410262998333663
13177829 20 17418093234697558055
13914758 101 13984657036163671935
13964095 4 10231751193756770380
14251732 16 18131631179493193758
14251752 14 15068336817939959143
14251757 52 14692579809873915496
14461889 52 18409729526325889002
14647877 103 14261083047559715499
14849402 71 17203322377317808552
15183329 4 8646775486692216540
15188451 53 17312821563786165248
15475509 8 9655580733850509074
15690457 1 16515683347599642554
15728490 51 17988920110895458167
1768 4 17632005434602238640
17834072 8 8430311338371128020
190975 80 18272086119267137194
20621476 91 18040434365387339236
21307412 95 10881685651103989400
21585482 111 9942991948798523227
22079108 93 18343016680180997294
2215653 11 11314312746031630420
22224240 67 18272367581691697046
3014063 24 15502650474085536864
38570 142 9295293833244915325
5104073 3 18195529186478474048
54076057 127 16917354706518911926
5911458 16 14907903799281575722
59682541 35 18411135866391369136
59682541 52 11746928806898723432
5969126 39 18187641389014375469
9689198 14 14836408038320909490
9953998 17 17704357671780656971

> <PUBCHEM_SHAPE_MULTIPOLES>
411.59
24.6
2.31
1.44
12.09
1.23
0.4
-8.25
10.89
-2.14
-0.53
-0.53
-0.27
1.55

> <PUBCHEM_SHAPE_SELFOVERLAP>
748.662

> <PUBCHEM_SHAPE_VOLUME>
265.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
