MIN #    DG(kcal/mol)
    1       -7.173
    2       -5.516
    3       -4.160
    4       -2.635
    5       -2.558
    6       -2.418
    7       -2.389
    8       -2.203
    9       -2.133
   10       -1.584
   11       -1.036
   12       -1.009
   13       -0.602
   14       -0.544
   15       -0.243
   16       -0.080
   17       -0.031
   18        0.000
   19        0.010
   20        0.097
   21        0.145
   22        0.172
   23        0.876
   24        1.242
   25        1.286
   26        1.403
   27        1.474
   28        1.673
   29        1.824
   30        1.846
   31        1.914
   32        2.008
   33        2.033
   34        2.136
   35        2.219
   36        2.294
   37        2.531
   38        2.582
   39        2.684
   40        2.991
   41        3.047
   42        3.370
   43        3.515
   44        3.861
   45        3.995
   46        4.382
   47        4.511
   48        5.052
   49        5.200
   50        5.272
   51        5.285
   52        5.446
   53        5.489
   54        6.884
   55        7.875
   56        7.910
   57        7.945
   58        8.030
   59        8.609
   60        8.975
   61        9.126
   62        9.237
   63        9.314
   64        9.528
   65        9.537
   66        9.630
   67       10.061
   68       10.133
   69       10.143
   70       10.181
   71       10.183
   72       10.333
   73       10.506
   74       11.005
   75       11.063
   76       11.251
   77       11.684
   78       12.797
   79       12.959
   80       13.043
   81       13.196
   82       13.675
   83       13.714
   84       13.869
   85       14.160
   86       14.568
   87       14.952
   88       15.118
   89       15.604
   90       15.674
   91       15.995
   92       17.871
   93       17.943
   94       17.964
   95       18.142
   96       18.514
   97       18.554
   98       18.699
   99       18.712
  100       18.852
  101       19.106
  102       19.170
  103       19.384
  104       19.406
  105       19.416
  106       19.530
  107       19.576
  108       19.622
  109       19.659
  110       19.951
  111       19.958
  112       19.985
  113       20.000
  114       20.041
  115       20.072
  116       20.150
  117       20.166
  118       20.224
  119       20.277
  120       20.283
  121       20.344
  122       20.394
  123       20.437
  124       20.605
  125       20.614
  126       20.641
  127       20.855
  128       20.998
  129       21.233
  130       21.290
  131       21.339
  132       21.351
  133       21.476
  134       21.630
  135       21.762
  136       22.008
  137       22.080
  138       22.143
  139       22.186
  140       22.245
  141       22.264
  142       22.332
  143       22.655
  144       22.663
  145       22.776
  146       22.875
  147       22.967
  148       23.031
  149       23.196
  150       23.353
  151       23.459
  152       23.465
  153       23.543
  154       23.579
  155       23.626
  156       23.906
  157       23.997
  158       24.141
  159       24.197
  160       24.234
  161       24.314
  162       24.441
  163       24.530
  164       25.994
  165       26.144
  166       26.216
  167       26.373
  168       26.495
  169       27.159
  170       27.245
  171       27.371
  172       27.469
  173       27.705
  174       27.997
  175       28.023
  176       28.319
  177       28.329
  178       28.446
  179       28.549
  180       28.854
  181       28.869
  182       28.962
  183       29.332
  184       29.484
  185       29.982
  186       30.166
  187       30.361
  188       30.437
  189       30.459
  190       30.487
  191       30.609
  192       30.749
  193       30.990
  194       31.229
  195       31.249
  196       31.537
  197       31.814
  198       31.904
  199       32.042
  200       32.174
  201       32.215
  202       32.371
  203       32.457
  204       32.807
  205       32.950
  206       32.971
  207       33.120
  208       33.196
  209       33.299
  210       33.301
  211       33.367
  212       33.872
  213       34.215
  214       34.229
  215       34.262
  216       34.434
  217       34.684
  218       34.765
  219       34.827
  220       35.270
  221       35.298
  222       35.334
  223       35.405
  224       35.649
  225       35.784
  226       35.991
  227       36.301
  228       36.511
  229       36.721
  230       37.079
  231       37.377
  232       37.534
  233       38.042
  234       38.071
  235       38.567
  236       38.569
  237       39.020
  238       39.237
  239       39.512
  240       39.692
  241       39.702
  242       39.879
  243       40.063
  244       40.304
  245       40.845
  246       41.018
  247       41.142
  248       41.166
  249       41.316
  250       41.567
  251       41.625
  252       41.805
  253       41.895
  254       42.021
  255       42.029
  256       42.036
  257       42.232
  258       42.239
  259       42.411
  260       42.508
  261       42.575
  262       42.637
  263       42.695
  264       42.711
  265       42.723
  266       42.780
  267       42.919
  268       43.007
  269       43.208
  270       43.289
  271       43.292
  272       43.419
  273       43.664
  274       43.669
  275       43.674
  276       43.679
  277       43.764
  278       43.858
  279       43.869
  280       44.037
  281       44.084
  282       44.154
  283       45.771
  284       46.074
  285       46.105
  286       46.222
  287       46.393
  288       46.434
  289       46.458
  290       46.508
  291       46.584
  292       46.619
  293       46.678
  294       47.354
  295       47.380
  296       47.509
  297       47.534
  298       47.618
  299       47.634
  300       47.703
  301       47.893
  302       47.947
  303       48.155
  304       48.173
  305       48.233
  306       48.460
  307       48.525
  308       48.682
  309       48.810
  310       49.432
  311       49.436
  312       49.455
  313       49.515
  314       49.619
  315       49.699
  316       50.169
  317       50.620
  318       50.882
  319       51.122
  320       51.335
  321       52.072
  322       52.345
  323       52.399
  324       52.459
  325       52.496
  326       52.821
  327       53.084
  328       53.096
  329       53.100
  330       53.398
  331       53.401
  332       53.586
  333       53.830
  334       54.209
  335       54.220
  336       54.542
  337       54.804
  338       55.000
  339       55.701
  340       55.802
  341       56.060
  342       56.294
  343       56.400
  344       56.423
  345       56.871
  346       57.371
  347       57.611
  348       57.792
  349       58.338
  350       58.432
  351       58.441
  352       58.453
  353       59.037
  354       59.197
  355       59.347
  356       59.536
  357       59.716
  358       59.775
  359       59.900
  360       59.916
  361       60.039
  362       60.107
  363       60.154
  364       60.186
  365       60.189
  366       60.306
  367       60.739
  368       61.015
  369       61.257
  370       61.443
  371       61.639
  372       61.683
  373       61.798
  374       61.894
  375       62.078
  376       62.589
  377       62.655
  378       62.778
  379       62.909
  380       64.145
  381       64.531
  382       64.550
  383       64.563
  384       64.608
  385       64.703
  386       64.775
  387       65.021
  388       65.371
  389       65.400
  390       65.771
  391       65.790
  392       65.815
  393       65.992
  394       66.157
  395       66.235
  396       66.790
  397       66.903
  398       67.155
  399       67.296
  400       67.752
  401       68.033
  402       68.355
  403       68.818
  404       68.974
  405       69.082
  406       69.319
  407       69.518
  408       70.888
  409       71.583
  410       72.002
  411       72.186
  412       73.019
  413       73.318
  414       73.726
  415       73.853
  416       74.021
  417       75.136
  418       75.487
  419       75.563
  420       75.678
  421       75.929
  422       76.177
  423       76.720
  424       76.817
  425       77.072
  426       77.242
  427       77.269
  428       77.311
  429       78.058
  430       78.369
  431       78.442
  432       79.237
  433       79.925
  434       80.378
  435       80.893
  436       81.309
  437       81.677
  438       81.882
  439       82.429
  440       82.500
  441       82.563
  442       82.773
  443       83.095
  444       83.664
  445       84.510
  446       84.686
  447       84.854
  448       85.056
  449       85.060
  450       85.086
  451       85.136
  452       85.413
  453       85.491
  454       86.180
  455       86.581
  456       87.493
  457       87.526
  458       87.638
  459       88.818
  460       89.328
  461       89.914
  462       90.392
  463       90.462
  464       90.658
  465       93.217
  466       96.777
  467       97.142
  468       97.461
  469       97.989
  470       98.037
  471      100.383
  472      100.596
  473      104.802
  474      104.813
  475      105.117
  476      105.338
  477      107.299
  478      107.764
  479      108.066
  480      109.691
  481      109.722
  482      112.744
  483      116.053
  484      117.869
  485      121.928
Conformational isomers are listed in the same line:
4 8 9 10 11 29 
7 14 15 
13 25 26 32 40 41 42 45 46 50 51 53 54 
16 23 24 
18 21 27 35 36 37 52 
19 20 31 39 
28 44 47 48 49 68 75 
30 33 43 
60 83 84 
61 85 
62 72 
66 69 
70 71 
76 78 80 81 
92 94 101 104 105 106 107 108 109 114 123 
93 98 102 110 112 116 121 127 142 
96 115 124 
103 129 
118 119 120 126 128 130 
125 132 140 144 145 
134 139 143 147 148 159 
137 149 151 
141 164 
150 153 156 157 158 160 161 163 166 171 174 
168 175 176 
169 172 
170 180 187 
189 191 192 196 197 200 201 206 223 
194 202 
195 204 
209 228 
210 214 
215 218 
219 225 230 
220 221 
229 234 239 
235 237 242 
244 248 255 
247 249 253 
251 258 260 261 263 264 265 267 275 281 286 306 
254 257 269 270 
268 278 282 
271 274 283 295 
284 285 288 293 300 302 312 
287 290 294 303 305 307 308 309 315 316 320 323 326 
289 298 299 301 
296 304 
310 325 
321 333 337 
327 331 
344 352 
345 349 
348 371 
350 353 356 
355 360 369 
361 365 381 
366 375 
368 393 
372 390 
382 394 
387 389 
391 397 403 405 
392 398 
409 413 
414 415 
417 420 
426 439 442 
449 452 
451 453 458 
460 463 
