MIN #    DG(kcal/mol)
    1      -27.046
    2      -22.535
    3      -16.699
    4      -14.850
    5      -14.725
    6      -13.875
    7      -11.813
    8      -11.813
    9      -10.824
   10      -10.645
   11      -10.488
   12      -10.411
   13       -9.796
   14       -9.633
   15       -9.596
   16       -8.589
   17       -8.318
   18       -7.710
   19       -7.480
   20       -7.357
   21       -6.868
   22       -6.489
   23       -6.376
   24       -6.154
   25       -5.195
   26       -5.048
   27       -4.964
   28       -4.962
   29       -4.946
   30       -4.575
   31       -4.415
   32       -4.325
   33       -4.277
   34       -4.220
   35       -4.183
   36       -4.174
   37       -4.097
   38       -4.066
   39       -4.047
   40       -3.999
   41       -3.717
   42       -3.660
   43       -3.548
   44       -3.457
   45       -3.390
   46       -3.329
   47       -2.942
   48       -2.900
   49       -2.885
   50       -2.878
   51       -2.818
   52       -2.760
   53       -2.745
   54       -2.697
   55       -2.666
   56       -2.540
   57       -2.497
   58       -2.352
   59       -2.240
   60       -2.123
   61       -2.111
   62       -2.085
   63       -1.976
   64       -1.910
   65       -1.879
   66       -1.851
   67       -1.831
   68       -1.824
   69       -1.803
   70       -1.701
   71       -1.627
   72       -1.565
   73       -1.509
   74       -1.491
   75       -1.480
   76       -1.364
   77       -1.323
   78       -1.303
   79       -1.294
   80       -1.237
   81       -1.225
   82       -1.191
   83       -1.175
   84       -1.080
   85       -1.062
   86       -1.042
   87       -1.002
   88       -0.982
   89       -0.962
   90       -0.956
   91       -0.956
   92       -0.946
   93       -0.889
   94       -0.848
   95       -0.832
   96       -0.828
   97       -0.756
   98       -0.742
   99       -0.670
  100       -0.651
  101       -0.605
  102       -0.592
  103       -0.488
  104       -0.397
  105       -0.379
  106       -0.278
  107       -0.081
  108       -0.031
  109        0.000
  110        0.033
  111        0.108
  112        0.212
  113        0.242
  114        0.269
  115        0.278
  116        0.279
  117        0.355
  118        0.437
  119        0.459
  120        0.608
  121        0.752
  122        0.857
  123        0.877
  124        0.957
  125        1.344
  126        1.366
  127        1.545
  128        1.663
  129        1.794
  130        1.866
  131        2.049
  132        2.466
  133        2.584
  134        2.641
  135        2.786
  136        2.916
  137        3.556
  138        3.568
  139        3.643
  140        3.782
  141        3.903
  142        3.973
  143        4.018
  144        4.026
  145        4.188
  146        4.246
  147        4.337
  148        4.341
  149        4.403
  150        4.452
  151        4.527
  152        4.626
  153        4.688
  154        4.895
  155        4.992
  156        5.062
  157        5.075
  158        5.130
  159        5.148
  160        5.179
  161        5.204
  162        5.351
  163        5.351
  164        5.449
  165        5.476
  166        5.533
  167        5.593
  168        5.659
  169        5.661
  170        5.721
  171        5.762
  172        5.934
  173        5.962
  174        5.973
  175        6.156
  176        6.159
  177        6.195
  178        6.277
  179        6.285
  180        6.393
  181        6.440
  182        6.479
  183        6.584
  184        6.603
  185        6.630
  186        6.664
  187        6.679
  188        6.700
  189        6.720
  190        6.772
  191        6.772
  192        6.784
  193        6.850
  194        6.894
  195        6.922
  196        7.087
  197        7.103
  198        7.169
  199        7.173
  200        7.364
  201        7.395
  202        7.457
  203        7.529
  204        7.553
  205        7.572
  206        7.576
  207        7.631
  208        7.690
  209        7.718
  210        7.748
  211        7.806
  212        7.852
  213        7.890
  214        7.944
  215        7.946
  216        8.128
  217        8.133
  218        8.276
  219        8.290
  220        8.355
  221        8.417
  222        8.506
  223        8.592
  224        8.718
  225        8.720
  226        8.746
  227        8.786
  228        8.811
  229        8.987
  230        9.034
  231        9.523
  232        9.547
  233        9.612
  234        9.679
  235        9.756
  236        9.761
  237        9.939
  238       10.057
  239       10.158
  240       10.284
  241       10.363
  242       10.431
  243       10.431
  244       10.590
  245       10.656
  246       10.680
  247       10.694
  248       10.781
  249       10.884
  250       11.120
  251       11.237
  252       11.399
  253       11.405
  254       11.430
  255       11.497
  256       11.702
  257       11.898
  258       12.023
  259       12.239
  260       12.591
  261       12.692
  262       12.857
  263       12.886
  264       12.905
  265       12.917
  266       12.975
  267       13.177
  268       13.447
  269       13.523
  270       13.693
  271       13.822
  272       13.822
  273       13.970
  274       14.152
  275       14.282
  276       14.313
  277       14.318
  278       14.426
  279       14.544
  280       14.728
  281       14.841
  282       14.959
  283       15.002
  284       15.181
  285       15.304
  286       15.424
  287       15.440
  288       15.442
  289       15.639
  290       15.755
  291       15.757
  292       15.866
  293       16.053
  294       16.055
  295       16.170
  296       16.429
  297       16.452
  298       16.493
  299       16.599
  300       16.831
  301       16.841
  302       16.919
  303       17.051
  304       17.055
  305       17.160
  306       17.194
  307       17.200
  308       17.205
  309       17.237
  310       17.285
  311       17.519
  312       17.785
  313       17.818
  314       17.842
  315       17.856
  316       17.858
  317       17.961
  318       17.994
  319       18.176
  320       18.192
  321       18.392
  322       18.401
  323       18.437
  324       18.499
  325       18.666
  326       18.708
  327       18.803
  328       18.813
  329       18.891
  330       19.150
  331       19.321
  332       19.386
  333       19.415
  334       19.672
  335       19.743
  336       19.881
  337       20.116
  338       20.191
  339       20.239
  340       20.269
  341       20.287
  342       20.670
  343       21.140
  344       21.148
  345       21.354
  346       21.479
  347       21.525
  348       21.884
  349       22.009
  350       22.095
  351       22.167
  352       22.492
  353       22.587
  354       22.865
  355       23.094
  356       23.103
  357       23.408
  358       23.480
  359       23.604
  360       23.605
  361       24.694
  362       24.933
  363       25.423
  364       25.510
  365       25.784
  366       26.207
  367       26.800
  368       26.922
  369       27.277
  370       27.761
  371       27.802
  372       27.828
  373       27.951
  374       28.042
  375       28.067
  376       28.153
  377       28.267
  378       28.320
  379       28.719
  380       29.034
  381       29.179
  382       29.282
  383       30.081
  384       30.148
  385       30.391
  386       30.448
  387       30.809
  388       30.970
  389       31.510
  390       31.754
  391       31.971
  392       32.257
  393       32.818
  394       33.074
  395       33.838
  396       33.908
  397       34.032
  398       34.136
  399       35.385
  400       35.756
  401       36.955
  402       37.351
  403       38.050
  404       38.918
  405       39.768
  406       40.080
  407       40.304
  408       41.268
  409       41.461
  410       42.005
  411       42.126
  412       42.384
  413       42.850
  414       42.921
  415       42.950
  416       42.971
  417       43.361
  418       43.620
  419       44.246
  420       44.690
  421       44.876
  422       45.043
  423       45.351
  424       46.628
  425       46.728
  426       47.027
  427       47.417
  428       47.979
  429       48.161
  430       48.188
  431       48.404
  432       48.414
  433       48.465
  434       48.728
  435       48.738
  436       48.807
  437       48.966
  438       49.082
  439       49.275
  440       49.653
  441       50.110
  442       50.920
  443       50.946
  444       51.272
  445       51.438
  446       51.897
  447       52.055
  448       52.586
  449       52.802
  450       52.847
  451       52.891
  452       52.941
  453       52.961
  454       53.343
  455       53.348
  456       53.452
  457       53.593
  458       53.797
  459       53.871
  460       54.065
  461       54.557
  462       54.693
  463       54.929
  464       55.210
  465       55.247
  466       55.363
  467       55.388
  468       55.558
  469       55.613
  470       55.891
  471       55.953
  472       56.043
  473       56.895
  474       57.303
  475       57.376
  476       57.832
  477       57.851
  478       58.263
  479       58.569
  480       58.632
  481       59.068
  482       59.230
  483       59.578
  484       59.607
  485       59.750
  486       59.768
  487       59.859
  488       60.049
  489       60.127
  490       60.293
  491       60.445
  492       60.672
  493       60.858
  494       60.937
  495       61.041
  496       61.202
  497       61.325
  498       61.374
  499       61.391
  500       61.906
  501       61.962
  502       62.436
  503       62.580
  504       62.612
  505       63.005
  506       63.043
  507       63.338
  508       63.528
  509       63.951
  510       64.078
  511       64.255
  512       64.325
  513       64.332
  514       64.407
  515       64.570
  516       64.754
  517       65.636
  518       65.717
  519       65.907
  520       65.943
  521       66.300
  522       66.314
  523       66.584
  524       67.109
  525       67.656
  526       67.711
  527       67.758
  528       67.870
  529       68.039
  530       68.066
  531       68.360
  532       68.626
  533       68.672
  534       69.083
  535       69.665
  536       70.142
  537       70.388
  538       71.280
  539       71.311
  540       71.935
  541       71.969
  542       72.153
  543       74.368
  544       74.458
  545       74.541
  546       74.629
  547       74.665
  548       75.460
  549       76.357
  550       77.222
  551       77.403
  552       77.760
  553       77.981
  554       78.783
  555       79.334
  556       79.467
  557       79.741
  558       80.347
  559       80.922
  560       81.316
  561       81.856
  562       82.050
  563       82.137
  564       82.141
  565       82.321
  566       82.970
  567       82.991
  568       83.401
  569       83.710
  570       83.935
  571       84.168
  572       84.310
  573       84.630
  574       84.931
  575       85.776
  576       86.903
  577       87.430
  578       87.530
  579       87.895
  580       87.950
  581       88.329
  582       88.376
  583       88.417
  584       89.028
  585       89.689
  586       91.990
  587       92.093
  588       92.825
  589       94.830
  590       95.693
  591       97.947
  592       98.821
  593       99.089
  594       99.348
  595      100.038
  596      100.768
  597      102.433
  598      102.694
  599      103.661
  600      108.447
  601      110.013
  602      111.326
  603      111.597
  604      112.711
  605      112.906
  606      116.948
  607      122.893
  608      123.237
  609      140.470
Conformational isomers are listed in the same line:
6 7 8 
9 23 26 
10 12 15 18 
13 21 
17 22 
24 27 36 
25 28 29 30 31 32 33 34 35 40 41 43 45 49 50 53 56 58 59 60 62 63 64 67 73 75 79 80 81 84 86 88 89 90 91 97 100 101 102 104 109 110 111 117 119 120 124 
39 54 69 76 92 108 129 132 
47 61 70 72 77 82 93 96 185 
48 52 71 95 106 
55 94 99 121 127 130 
57 128 133 157 192 
65 68 74 78 85 98 103 107 123 125 126 134 
87 113 
135 140 143 144 146 147 148 151 152 153 154 156 158 159 160 163 164 165 170 173 175 176 177 178 180 181 182 184 186 187 188 189 196 200 201 203 210 216 221 223 227 228 249 262 289 293 295 
137 138 150 167 
139 149 
145 204 
161 162 166 168 171 183 191 194 195 202 205 211 213 229 233 234 238 239 240 244 246 248 
172 235 236 
190 207 208 219 
198 226 
212 253 
220 224 
230 241 243 252 259 260 261 274 284 302 
251 257 
256 264 
267 279 297 306 310 319 322 332 333 
268 273 303 
270 277 
271 286 305 321 
272 294 311 
276 283 292 299 304 315 
280 290 301 317 323 324 330 337 341 342 352 
291 298 309 320 325 355 
312 327 328 338 345 
313 314 
331 334 335 346 349 360 361 
347 353 
358 374 
365 375 385 386 388 
366 369 
367 371 373 379 
368 370 377 
409 412 417 418 420 
419 421 422 
428 429 
430 432 434 437 440 441 443 446 448 
436 438 
444 466 
450 454 
458 460 461 462 464 467 468 471 478 
465 472 
477 519 
479 482 
480 481 486 
483 487 505 512 
485 515 
489 490 492 494 
491 495 496 498 499 500 501 504 506 509 510 514 517 520 
502 507 
508 516 
513 518 
523 524 525 537 543 546 
527 532 
531 534 
540 542 
559 562 
561 567 574 575 
564 565 
568 571 
581 587 589 
594 598 
595 599 
601 604 
