MIN #    DG(kcal/mol)
    1      -10.692
    2       -9.205
    3       -8.585
    4       -8.069
    5       -7.845
    6       -7.571
    7       -7.366
    8       -7.362
    9       -7.294
   10       -7.275
   11       -7.245
   12       -7.048
   13       -6.971
   14       -6.959
   15       -6.797
   16       -6.506
   17       -6.474
   18       -6.432
   19       -6.313
   20       -6.213
   21       -6.099
   22       -6.030
   23       -5.835
   24       -5.543
   25       -4.930
   26       -4.904
   27       -4.810
   28       -4.792
   29       -4.615
   30       -4.561
   31       -4.445
   32       -4.442
   33       -4.280
   34       -4.277
   35       -4.273
   36       -3.892
   37       -3.712
   38       -3.679
   39       -3.666
   40       -3.663
   41       -3.602
   42       -3.374
   43       -3.372
   44       -3.291
   45       -3.250
   46       -3.229
   47       -3.136
   48       -3.086
   49       -3.043
   50       -2.999
   51       -2.973
   52       -2.967
   53       -2.821
   54       -2.794
   55       -2.744
   56       -2.695
   57       -2.626
   58       -2.596
   59       -2.591
   60       -2.585
   61       -2.543
   62       -2.418
   63       -2.385
   64       -2.368
   65       -2.252
   66       -2.090
   67       -2.088
   68       -1.941
   69       -1.873
   70       -1.789
   71       -1.781
   72       -1.607
   73       -1.561
   74       -1.523
   75       -1.518
   76       -1.452
   77       -1.354
   78       -1.309
   79       -1.282
   80       -1.277
   81       -1.195
   82       -1.176
   83       -1.101
   84       -1.095
   85       -1.072
   86       -1.037
   87       -0.999
   88       -0.958
   89       -0.729
   90       -0.670
   91       -0.613
   92        0.000
   93        0.035
   94        0.047
   95        0.071
   96        0.111
   97        0.113
   98        0.140
   99        0.341
  100        0.438
  101        0.563
  102        0.607
  103        0.622
  104        0.651
  105        0.655
  106        0.713
  107        0.846
  108        1.079
  109        1.118
  110        1.182
  111        1.190
  112        1.195
  113        1.303
  114        1.398
  115        1.412
  116        1.563
  117        1.569
  118        1.612
  119        1.735
  120        1.756
  121        1.994
  122        1.995
  123        2.040
  124        2.040
  125        2.382
  126        2.462
  127        2.571
  128        2.579
  129        2.627
  130        2.673
  131        2.686
  132        3.092
  133        3.171
  134        3.209
  135        3.290
  136        3.411
  137        3.429
  138        3.441
  139        3.802
  140        3.844
  141        3.875
  142        3.958
  143        3.987
  144        4.013
  145        4.293
  146        4.453
  147        4.744
  148        4.783
  149        4.819
  150        5.098
  151        5.344
  152        5.415
  153        5.633
  154        5.969
  155        6.029
  156        6.032
  157        6.059
  158        6.402
  159        6.602
  160        6.785
  161        6.811
  162        6.865
  163        7.094
  164        7.271
  165        7.683
  166        7.698
  167        7.742
  168        7.866
  169        7.867
  170        8.031
  171        8.568
  172        8.842
  173        8.971
  174        9.591
  175        9.671
  176        9.812
  177        9.820
  178       10.079
  179       10.249
  180       10.439
  181       10.488
  182       10.521
  183       10.576
  184       10.851
  185       11.010
  186       11.103
  187       11.119
  188       11.242
  189       11.387
  190       11.431
  191       11.706
  192       12.035
  193       12.057
  194       12.133
  195       12.444
  196       12.473
  197       12.618
  198       12.871
  199       12.928
  200       13.150
  201       13.272
  202       13.347
  203       13.425
  204       13.948
  205       14.047
  206       14.347
  207       14.579
  208       14.791
  209       14.794
  210       15.002
  211       15.096
  212       15.360
  213       15.511
  214       15.648
  215       15.716
  216       15.762
  217       15.865
  218       15.941
  219       15.957
  220       15.980
  221       16.184
  222       16.260
  223       16.287
  224       16.330
  225       16.360
  226       16.387
  227       16.516
  228       16.813
  229       16.999
  230       17.244
  231       17.395
  232       17.494
  233       17.795
  234       17.942
  235       17.973
  236       18.006
  237       18.031
  238       18.075
  239       18.104
  240       18.522
  241       18.725
  242       18.768
  243       18.807
  244       18.873
  245       18.972
  246       19.004
  247       19.092
  248       19.328
  249       19.535
  250       19.795
  251       19.869
  252       19.894
  253       19.958
  254       20.043
  255       20.138
  256       20.190
  257       20.690
  258       21.038
  259       21.094
  260       21.248
  261       21.259
  262       21.280
  263       21.346
  264       21.420
  265       21.540
  266       22.347
  267       22.377
  268       22.402
  269       22.539
  270       22.545
  271       22.631
  272       22.632
  273       22.806
  274       22.842
  275       22.929
  276       23.220
  277       23.389
  278       23.539
  279       23.610
  280       23.684
  281       23.686
  282       24.153
  283       24.580
  284       24.638
  285       24.641
  286       25.108
  287       25.260
  288       25.301
  289       25.318
  290       25.399
  291       25.716
  292       26.050
  293       26.092
  294       26.258
  295       26.278
  296       26.302
  297       26.636
  298       26.656
  299       27.003
  300       27.094
  301       27.095
  302       27.151
  303       27.354
  304       27.426
  305       27.711
  306       27.883
  307       27.939
  308       28.115
  309       28.310
  310       28.670
  311       28.729
  312       28.794
  313       29.119
  314       29.230
  315       29.256
  316       29.268
  317       29.296
  318       29.579
  319       29.660
  320       29.721
  321       30.051
  322       30.086
  323       30.095
  324       30.204
  325       30.307
  326       30.378
  327       30.626
  328       30.833
  329       30.897
  330       30.905
  331       31.028
  332       31.030
  333       31.118
  334       31.241
  335       31.247
  336       31.274
  337       31.364
  338       31.459
  339       31.463
  340       31.464
  341       31.551
  342       31.558
  343       31.577
  344       31.579
  345       31.676
  346       31.686
  347       31.737
  348       31.871
  349       31.873
  350       31.940
  351       32.069
  352       32.142
  353       32.166
  354       32.338
  355       32.422
  356       32.439
  357       32.635
  358       33.106
  359       33.113
  360       33.118
  361       33.193
  362       33.639
  363       33.733
  364       34.014
  365       34.170
  366       34.256
  367       34.462
  368       34.472
  369       34.566
  370       34.630
  371       34.710
  372       34.877
  373       34.938
  374       35.139
  375       35.215
  376       35.637
  377       35.801
  378       35.881
  379       36.173
  380       36.247
  381       36.355
  382       36.482
  383       36.500
  384       36.596
  385       37.028
  386       37.112
  387       37.327
  388       37.424
  389       37.443
  390       37.473
  391       37.883
  392       37.973
  393       38.133
  394       38.623
  395       39.101
  396       39.223
  397       39.303
  398       39.310
  399       39.374
  400       39.475
  401       39.494
  402       39.737
  403       39.912
  404       40.021
  405       40.034
  406       40.098
  407       40.217
  408       40.262
  409       40.838
  410       41.062
  411       41.132
  412       41.359
  413       41.373
  414       41.496
  415       41.510
  416       42.444
  417       42.943
  418       42.973
  419       43.075
  420       43.256
  421       43.458
  422       43.478
  423       43.501
  424       43.777
  425       44.176
  426       44.386
  427       44.755
  428       44.772
  429       44.943
  430       44.968
  431       45.086
  432       45.226
  433       45.638
  434       46.048
  435       46.167
  436       46.670
  437       47.308
  438       47.446
  439       47.603
  440       48.002
  441       48.215
  442       48.335
  443       48.690
  444       49.052
  445       49.120
  446       49.574
  447       49.630
  448       49.888
  449       50.260
  450       50.614
  451       50.760
  452       50.994
  453       51.483
  454       51.878
  455       52.155
  456       52.201
  457       52.961
  458       53.518
  459       53.520
  460       53.675
  461       53.707
  462       54.180
  463       54.794
  464       55.580
  465       55.911
  466       55.937
  467       56.465
  468       56.474
  469       56.594
  470       56.934
  471       56.989
  472       57.171
  473       57.361
  474       57.374
  475       57.429
  476       57.755
  477       57.875
  478       57.962
  479       57.965
  480       58.061
  481       58.170
  482       58.694
  483       58.817
  484       58.929
  485       59.253
  486       59.609
  487       59.626
  488       59.748
  489       59.958
  490       59.963
  491       60.106
  492       60.570
  493       60.687
  494       60.761
  495       60.896
  496       60.977
  497       61.556
  498       61.624
  499       61.820
  500       62.191
  501       62.845
  502       63.071
  503       63.813
  504       63.854
  505       64.240
  506       64.887
  507       64.925
  508       64.933
  509       65.585
  510       66.194
  511       66.300
  512       66.551
  513       66.796
  514       67.675
  515       67.872
  516       69.431
  517       70.114
  518       70.481
  519       70.625
  520       71.307
  521       71.354
  522       71.780
  523       71.999
  524       72.330
  525       72.846
  526       73.091
  527       73.143
  528       73.759
  529       75.513
  530       75.523
  531       75.762
  532       76.191
  533       76.231
  534       76.717
  535       77.065
  536       77.285
  537       77.496
  538       77.713
  539       77.925
  540       78.490
  541       78.566
  542       78.753
  543       79.026
  544       79.541
  545       81.417
  546       82.003
  547       82.231
  548       82.433
  549       82.941
  550       83.336
  551       83.538
  552       84.558
  553       84.973
  554       85.120
  555       85.285
  556       85.375
  557       85.574
  558       85.601
  559       86.266
  560       86.293
  561       88.314
  562       88.813
  563       90.055
  564       91.857
  565       95.141
  566       95.519
  567       95.594
  568       96.071
  569       97.298
  570       99.674
  571      102.176
  572      104.658
  573      107.665
  574      107.978
  575      109.801
  576      115.036
  577      116.465
  578      117.999
  579      119.083
  580      119.380
  581      135.332
  582      138.744
Conformational isomers are listed in the same line:
1 3 
2 5 7 18 20 22 27 28 42 
4 13 16 17 21 26 
6 8 14 15 37 
9 10 12 24 25 30 31 32 33 39 51 54 61 65 
19 88 
29 34 41 50 
36 47 79 84 85 91 93 94 111 123 
38 52 55 
40 43 48 49 56 70 73 76 104 
44 78 90 92 95 96 101 106 107 108 110 116 121 125 126 129 130 131 136 143 150 151 
46 59 87 100 
53 57 58 60 62 67 68 69 71 74 75 77 80 82 83 119 147 
63 64 72 86 127 132 133 137 139 140 142 145 
89 103 118 
99 105 112 114 122 124 128 141 
113 144 
154 155 157 163 164 
158 160 167 
159 171 176 
161 165 
166 170 179 180 182 193 195 205 208 234 
168 169 
174 177 178 184 189 194 
181 192 
185 187 200 203 
190 198 
196 206 214 222 237 242 
197 204 
210 218 236 259 263 264 290 293 294 
212 223 224 226 253 
213 231 238 
217 219 220 227 235 240 243 244 245 
221 250 254 270 273 
228 230 246 
247 256 
262 289 
267 281 
268 271 275 277 280 
269 272 283 
278 279 
286 295 
288 298 301 302 312 
299 313 
307 342 
308 336 
310 318 322 326 335 341 350 
317 324 
320 323 346 349 373 386 
321 330 333 337 338 345 347 353 358 362 367 368 369 380 392 
328 329 334 339 340 354 355 360 
332 356 
363 374 375 377 385 
370 382 
372 379 
378 383 388 391 393 
384 415 
389 394 397 400 
402 403 417 420 421 427 429 430 431 437 440 442 445 
404 413 
406 408 
416 422 423 
424 426 
432 433 434 435 438 439 441 443 
447 452 
448 462 
449 456 457 
463 465 
464 471 
466 476 
474 481 
477 478 483 484 487 489 494 495 510 
488 492 501 
498 500 
507 508 
509 511 513 
514 515 
518 521 
519 524 
527 529 531 
534 535 536 
542 552 553 555 557 559 560 
543 545 
561 567 
