NMPC 191-2,6,10-trimethyl,14-ethylene-14-pentadecne (19775)
  -OEChem-10102317113D

 56 55  0     1  0  0  0  0  0999 V2000
   -1.1225   -2.2545   -0.3878 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3838   -1.1439   -1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081    2.1233   -0.2339 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2925   -0.0660   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509    1.0814   -1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2451   -1.6779    0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.4752    0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157   -0.9070   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4396   -0.4291    0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033    0.7753   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -3.0629    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623    2.8527    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5338    0.3747   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    0.2003    0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0868   -0.5636   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6270    0.7779    0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9817    1.6213   -0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1810   -1.1772    0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702   -2.9381   -1.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3867   -1.6154   -1.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -0.6647   -1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395    2.8673   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    0.3692    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0466   -0.5562    0.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1674    1.6032   -1.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231    0.6641   -1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8301   -1.0427    1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7342   -2.5148    1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3530    2.2646    1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.7732    1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320   -1.5423   -1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8525   -0.0405   -0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8975   -1.3012    1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0084    0.1848    1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2927    1.4815   -1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4406   -0.0498   -0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2508   -2.4661    1.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778   -3.4467   -0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731   -3.9228    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3725    2.1875    1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2870    3.6732    1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0866    3.2834    0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9910   -0.2671   -0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714   -0.4716    1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5804    1.0168    1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5802   -1.3599   -0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    0.1126   -1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2313    1.4334    1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0592   -0.1052    1.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4385    1.3091    0.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3281    1.3589   -1.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7954    2.2293   -1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4139    2.2459   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7620   -1.8852    1.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7253   -0.4043    1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8982   -1.7162   -0.0942 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 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  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 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 18  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
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19775

> <PUBCHEM_CONFORMER_RMSD>
1.2

> <PUBCHEM_CONFORMER_DIVERSEORDER>
3
35
36
410
519
9
44
2
473
38
378
612
251
103
588
204
209
30
185
174
626
206
600
608
248
188
622
4
434
546
218
20
337
610
64
320
572
482
280
120
240
61
118
29
169
437
1
553
53
86
599
134
359
349
585
322
245
12
232
87
279
117
228
426
18
176
182
24
298
15
351
141
225
567
55
385
8
477
67
570
163
215
271
144
355
393
189
325
219
11
190
97
514
498
611
107
5
252
158
292
275
284
512
58
465
94
48
10
145
591
386
108
319
164
543
250
269
151
238
413
297
113
184
256
135
43
195
148
270
104
352
296
98
26
17
412
165
129
335
187
31
22
487
78
92
123
205
375
377
50
19
263
499
537
85
45
65
453
316
72
346
6
159
457
27
25
362
192
220
233
318

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
12

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 11 hydrophobe
1 12 hydrophobe
1 18 hydrophobe
3 13 16 17 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
00004D3F00000003

> <PUBCHEM_MMFF94_ENERGY>
13.483

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.3

> <PUBCHEM_SHAPE_FINGERPRINT>
10066227 112 18334575793554844668
10429389 143 14333404532609180522
10674148 151 18260547810851005538
11036077 3 18187364324452190539
11211813 89 18409448068929948356
11458722 120 18410294730831133652
12107183 9 18411138047744112442
12403260 363 18126563659846061327
12596602 18 15357987806391751229
12760667 363 18412819175960261254
13464513 79 11241969304444891953
14123256 10 9439401328538049354
14251732 17 18413110567388509511
14251752 14 18186801362072296444
14251758 9 18336255803939331068
14251764 18 18410856607021593150
14251764 30 13912593953284439465
14420673 8 18261111876826543122
14466204 15 18411700959074859729
14767858 380 9223226347564696674
14951699 99 18057032739102758480
15531645 54 18412826897556838438
20286276 3 17975419332377587658
20567600 254 18259696797366980229
20765182 114 17773887389681300702
20832881 197 18408322211819759064
21279426 13 18411418401797604006
21365058 27 14273742828199144032
21403212 168 18411696561144256635
21521721 280 11314319342784646212
21524375 3 18341054137745934111
21774942 28 16701190664246922025
23402539 116 17989202676925522621
2838139 119 17989203751026204953
335352 9 18411419531347648646
5207 217 9799688208148926220
532947 4 18342746178155651574
5385378 56 18339369548303408187
59755656 215 18339644443068195238
59755656 520 18411412943332534095
6138700 20 18411982438103600251
6328613 192 18338242686303103988
7226269 152 18273496779658591624

> <PUBCHEM_SHAPE_MULTIPOLES>
370.43
16.1
2.91
1
5.24
0.36
0.07
-0.67
-3.23
0.01
-0.35
-0.27
-0.08
0.06

> <PUBCHEM_SHAPE_SELFOVERLAP>
670.398

> <PUBCHEM_SHAPE_VOLUME>
239.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
