MIN #    DG(kcal/mol)
    1      -17.215
    2      -17.168
    3      -16.887
    4      -16.852
    5      -16.689
    6      -14.023
    7      -13.165
    8       -8.421
    9       -8.289
   10       -8.237
   11       -7.927
   12       -6.504
   13       -6.416
   14       -6.178
   15       -5.408
   16       -5.095
   17       -4.976
   18       -4.875
   19       -4.588
   20       -4.576
   21       -4.363
   22       -4.327
   23       -4.213
   24       -3.547
   25       -3.318
   26       -3.043
   27       -2.942
   28       -2.884
   29       -2.231
   30       -1.507
   31       -1.132
   32       -1.121
   33       -0.991
   34       -0.838
   35       -0.638
   36       -0.253
   37       -0.138
   38        0.000
   39        0.025
   40        0.036
   41        0.104
   42        0.185
   43        0.198
   44        0.475
   45        0.777
   46        0.901
   47        0.969
   48        1.257
   49        1.328
   50        1.600
   51        1.730
   52        1.995
   53        2.041
   54        2.375
   55        2.558
   56        2.754
   57        3.013
   58        3.103
   59        3.436
   60        3.460
   61        3.525
   62        3.626
   63        3.631
   64        4.179
   65        4.183
   66        4.274
   67        4.374
   68        5.112
   69        5.302
   70        5.455
   71        5.615
   72        5.724
   73        5.870
   74        5.912
   75        5.975
   76        6.580
   77        6.731
   78        7.181
   79        7.312
   80        7.384
   81        7.476
   82        7.505
   83        7.533
   84        7.535
   85        7.602
   86        7.618
   87        7.625
   88        7.673
   89        7.789
   90        7.807
   91        7.850
   92        7.857
   93        7.884
   94        7.926
   95        7.983
   96        8.006
   97        8.047
   98        8.051
   99        8.080
  100        8.113
  101        8.195
  102        8.212
  103        8.248
  104        8.271
  105        8.539
  106        8.539
  107        8.565
  108        8.601
  109        8.607
  110        8.665
  111        8.702
  112        8.807
  113        8.830
  114        8.860
  115        8.891
  116        9.111
  117        9.143
  118        9.191
  119        9.202
  120        9.212
  121        9.215
  122        9.219
  123        9.285
  124        9.348
  125        9.386
  126        9.404
  127        9.580
  128        9.749
  129        9.769
  130        9.802
  131        9.889
  132        9.903
  133        9.944
  134        9.992
  135       10.058
  136       10.084
  137       10.118
  138       10.122
  139       10.126
  140       10.159
  141       10.203
  142       10.239
  143       10.309
  144       10.447
  145       10.465
  146       10.482
  147       10.498
  148       10.540
  149       10.586
  150       10.598
  151       10.624
  152       10.631
  153       10.635
  154       10.687
  155       10.741
  156       10.770
  157       10.793
  158       10.794
  159       10.817
  160       10.898
  161       10.929
  162       11.043
  163       11.045
  164       11.069
  165       11.135
  166       11.150
  167       11.207
  168       11.226
  169       11.247
  170       11.395
  171       11.527
  172       11.534
  173       11.650
  174       11.673
  175       11.675
  176       11.753
  177       11.781
  178       12.222
  179       12.276
  180       12.289
  181       12.295
  182       12.312
  183       12.531
  184       12.649
  185       12.673
  186       12.691
  187       12.705
  188       12.718
  189       12.797
  190       12.953
  191       12.957
  192       13.087
  193       13.281
  194       13.332
  195       13.408
  196       13.447
  197       13.512
  198       13.690
  199       13.713
  200       13.716
  201       13.775
  202       13.892
  203       13.944
  204       13.951
  205       14.033
  206       14.243
  207       14.355
  208       14.704
  209       14.746
  210       15.463
  211       15.831
  212       15.889
  213       16.207
  214       16.316
  215       16.412
  216       16.711
  217       17.122
  218       17.212
  219       17.228
  220       17.325
  221       17.362
  222       17.386
  223       17.605
  224       17.674
  225       17.706
  226       17.770
  227       17.831
  228       18.160
  229       18.267
  230       18.616
  231       18.637
  232       18.651
  233       19.019
  234       19.195
  235       19.252
  236       19.370
  237       19.442
  238       19.801
  239       19.817
  240       20.178
  241       20.411
  242       20.563
  243       20.663
  244       20.735
  245       20.934
  246       21.178
  247       21.184
  248       21.230
  249       21.337
  250       21.357
  251       21.414
  252       21.466
  253       21.507
  254       22.923
  255       22.964
  256       23.010
  257       23.309
  258       23.360
  259       23.432
  260       23.611
  261       23.628
  262       23.823
  263       23.872
  264       23.943
  265       24.214
  266       24.401
  267       24.412
  268       24.511
  269       24.520
  270       24.598
  271       24.861
  272       24.908
  273       25.312
  274       25.437
  275       25.702
  276       26.178
  277       26.236
  278       26.257
  279       26.814
  280       26.905
  281       27.153
  282       27.268
  283       27.729
  284       28.373
  285       28.517
  286       28.725
  287       29.019
  288       29.164
  289       29.414
  290       29.676
  291       29.812
  292       29.844
  293       29.884
  294       30.633
  295       30.769
  296       30.778
  297       30.840
  298       30.878
  299       30.977
  300       31.379
  301       31.835
  302       31.862
  303       32.080
  304       32.241
  305       32.283
  306       32.425
  307       32.569
  308       32.843
  309       32.945
  310       33.084
  311       33.115
  312       33.758
  313       34.314
  314       34.618
  315       34.707
  316       34.832
  317       35.315
  318       35.413
  319       35.467
  320       35.577
  321       35.718
  322       35.830
  323       35.983
  324       36.050
  325       36.101
  326       36.209
  327       36.397
  328       36.542
  329       36.725
  330       36.923
  331       37.742
  332       37.983
  333       38.092
  334       38.140
  335       39.351
  336       39.916
  337       39.943
  338       40.065
  339       40.110
  340       40.287
  341       41.017
  342       41.242
  343       41.835
  344       41.868
  345       42.240
  346       42.749
  347       42.861
  348       43.095
  349       43.408
  350       44.274
  351       44.422
  352       44.565
  353       44.758
  354       45.022
  355       45.830
  356       46.188
  357       46.624
  358       46.655
  359       46.733
  360       46.786
  361       46.804
  362       46.874
  363       49.224
  364       49.812
  365       49.813
  366       50.034
  367       50.372
  368       50.402
  369       50.698
  370       50.885
  371       51.044
  372       51.149
  373       51.366
  374       51.413
  375       51.440
  376       51.534
  377       52.028
  378       52.195
  379       52.379
  380       53.018
  381       53.083
  382       53.386
  383       53.399
  384       53.678
  385       53.810
  386       53.964
  387       54.046
  388       54.049
  389       54.194
  390       54.501
  391       55.066
  392       55.204
  393       56.785
  394       56.796
  395       57.095
  396       57.269
  397       57.367
  398       57.378
  399       58.701
  400       58.757
  401       59.113
  402       59.371
  403       59.603
  404       59.991
  405       60.173
  406       60.899
  407       60.932
  408       61.329
  409       61.617
  410       61.929
  411       62.173
  412       62.554
  413       62.824
  414       62.827
  415       62.920
  416       63.178
  417       63.366
  418       63.740
  419       64.491
  420       64.599
  421       64.910
  422       65.232
  423       65.421
  424       65.587
  425       65.607
  426       65.873
  427       66.353
  428       66.500
  429       66.608
  430       66.636
  431       66.683
  432       66.874
  433       67.013
  434       67.061
  435       67.686
  436       67.804
  437       67.863
  438       67.875
  439       67.889
  440       68.291
  441       68.319
  442       68.704
  443       68.799
  444       69.066
  445       69.196
  446       69.739
  447       69.757
  448       69.870
  449       69.999
  450       70.304
  451       70.919
  452       70.968
  453       70.974
  454       71.197
  455       71.360
  456       71.421
  457       71.427
  458       71.766
  459       71.793
  460       71.816
  461       71.842
  462       71.933
  463       72.479
  464       72.654
  465       72.894
  466       72.897
  467       73.296
  468       73.451
  469       73.468
  470       73.867
  471       73.993
  472       74.046
  473       74.394
  474       74.424
  475       74.622
  476       74.658
  477       74.749
  478       74.870
  479       75.559
  480       75.935
  481       75.989
  482       76.046
  483       76.350
  484       76.357
  485       76.520
  486       76.616
  487       76.839
  488       76.871
  489       76.924
  490       77.195
  491       77.238
  492       77.442
  493       77.680
  494       78.022
  495       78.069
  496       78.154
  497       78.383
  498       78.717
  499       78.873
  500       79.963
  501       79.991
  502       80.191
  503       80.422
  504       80.550
  505       80.863
  506       81.124
  507       81.138
  508       81.148
  509       81.930
  510       82.384
  511       82.903
  512       83.713
  513       83.899
  514       84.095
  515       84.318
  516       84.712
  517       84.761
  518       84.820
  519       85.416
  520       86.099
  521       86.533
  522       87.041
  523       89.479
  524       90.282
  525       90.367
  526       90.474
  527       92.327
  528       92.471
  529       92.778
  530       93.025
  531       93.676
  532       93.774
  533       93.832
  534       93.968
  535       94.083
  536       94.873
  537       95.938
  538       96.999
  539       97.034
  540       97.061
  541       97.593
  542       98.427
  543       99.127
  544       99.691
  545       99.829
  546      101.088
  547      101.270
  548      102.395
  549      103.040
  550      103.227
  551      104.057
  552      104.890
  553      105.728
  554      106.403
  555      106.646
  556      110.547
  557      110.653
  558      112.057
  559      113.053
  560      115.186
  561      115.704
  562      116.792
  563      118.995
  564      120.821
Conformational isomers are listed in the same line:
3 4 5 7 
8 11 20 21 
10 19 26 
12 14 
15 16 17 
24 28 51 
27 43 
29 31 
30 34 40 49 67 
32 38 44 45 46 47 48 56 57 58 
33 35 36 37 39 42 61 64 
52 53 63 137 166 
59 66 
70 74 75 76 78 79 87 
71 141 
73 80 126 140 
77 84 105 
81 82 85 86 88 89 92 93 94 95 97 98 101 102 103 106 107 110 113 116 118 120 121 123 125 133 134 139 143 149 150 156 160 162 171 173 185 188 192 194 195 198 201 
90 96 99 104 108 112 115 117 119 122 124 127 131 135 136 142 144 145 152 153 158 164 167 168 169 175 177 
100 183 
114 129 
130 138 146 176 
132 147 170 172 190 
148 161 165 
174 210 
180 182 199 200 202 203 204 206 
186 214 
187 208 
211 216 
217 221 
218 249 
223 224 225 228 229 231 232 240 251 252 256 
227 235 237 241 242 
233 244 245 250 
236 255 
243 253 296 305 
257 260 
267 280 
268 269 272 
276 284 285 287 
286 298 
293 299 
308 309 310 
318 319 321 322 323 325 336 
328 330 337 338 
331 333 
348 349 350 351 355 
357 365 374 
359 366 
360 361 362 371 386 
367 373 
372 376 377 
375 379 
381 390 396 
383 385 389 
388 391 394 398 
397 416 
400 410 
403 406 415 
404 405 417 
407 411 413 
414 419 420 422 429 434 
424 425 427 428 432 433 437 439 440 445 
435 436 
443 444 
448 452 465 466 474 477 
450 451 456 462 468 471 475 
454 457 
459 460 480 
464 467 481 485 490 494 
473 486 487 491 
489 505 507 
492 497 506 517 
493 519 
508 509 
512 516 
514 518 
528 529 530 531 532 
534 535 
