MIN #    DG(kcal/mol)
    1      -27.213
    2      -22.033
    3      -18.102
    4      -17.872
    5      -15.255
    6      -13.747
    7      -13.462
    8      -13.410
    9      -13.358
   10      -12.854
   11      -11.979
   12      -10.321
   13       -8.411
   14       -8.028
   15       -7.422
   16       -7.349
   17       -7.039
   18       -6.896
   19       -6.788
   20       -6.546
   21       -5.840
   22       -5.704
   23       -5.401
   24       -5.362
   25       -5.352
   26       -4.614
   27       -3.417
   28       -3.382
   29       -3.004
   30       -2.703
   31       -2.431
   32       -1.629
   33       -1.449
   34       -0.242
   35       -0.211
   36        0.000
   37        0.103
   38        0.118
   39        0.167
   40        0.565
   41        0.881
   42        1.097
   43        1.128
   44        1.169
   45        1.185
   46        1.303
   47        1.307
   48        1.408
   49        1.561
   50        1.597
   51        1.958
   52        2.138
   53        2.241
   54        2.270
   55        2.337
   56        2.524
   57        2.620
   58        2.738
   59        2.741
   60        2.837
   61        2.909
   62        2.922
   63        2.973
   64        3.051
   65        3.065
   66        3.324
   67        3.386
   68        3.430
   69        3.484
   70        3.684
   71        3.779
   72        4.036
   73        4.078
   74        4.190
   75        4.321
   76        4.324
   77        4.451
   78        4.725
   79        4.775
   80        4.885
   81        4.899
   82        4.940
   83        5.030
   84        5.093
   85        5.138
   86        5.313
   87        5.446
   88        5.450
   89        5.543
   90        5.603
   91        5.757
   92        5.832
   93        5.893
   94        6.032
   95        6.175
   96        6.295
   97        6.330
   98        6.414
   99        6.423
  100        6.498
  101        6.775
  102        6.779
  103        7.094
  104        7.714
  105        7.737
  106        7.763
  107        7.814
  108        7.823
  109        8.009
  110        8.028
  111        8.061
  112        8.383
  113        8.509
  114        8.575
  115        8.606
  116        8.681
  117        8.814
  118        8.890
  119        8.891
  120        9.486
  121        9.656
  122        9.671
  123        9.879
  124       10.043
  125       10.201
  126       10.801
  127       10.830
  128       10.830
  129       10.834
  130       11.079
  131       11.145
  132       11.233
  133       11.261
  134       11.317
  135       11.358
  136       11.839
  137       11.873
  138       12.059
  139       12.107
  140       12.145
  141       12.234
  142       12.294
  143       12.377
  144       12.386
  145       12.816
  146       13.174
  147       13.321
  148       13.554
  149       14.036
  150       14.239
  151       14.580
  152       14.600
  153       14.768
  154       14.840
  155       14.916
  156       14.920
  157       15.063
  158       15.271
  159       15.353
  160       15.626
  161       16.003
  162       16.004
  163       16.083
  164       16.579
  165       16.580
  166       16.841
  167       17.033
  168       17.129
  169       17.310
  170       17.504
  171       17.885
  172       18.192
  173       18.590
  174       18.620
  175       18.643
  176       18.862
  177       19.348
  178       20.314
  179       21.051
  180       21.370
  181       21.499
  182       21.603
  183       21.684
  184       21.844
  185       21.869
  186       21.975
  187       22.867
  188       23.104
  189       24.293
  190       24.447
  191       25.138
  192       25.195
  193       25.825
  194       26.586
  195       26.637
  196       27.410
  197       27.611
  198       27.651
  199       27.886
  200       28.083
  201       28.274
  202       28.614
  203       28.931
  204       28.999
  205       29.018
  206       29.283
  207       30.283
  208       30.386
  209       30.694
  210       31.101
  211       31.413
  212       32.740
  213       32.925
  214       33.038
  215       33.082
  216       34.051
  217       34.243
  218       34.401
  219       34.589
  220       34.979
  221       35.179
  222       35.212
  223       35.387
  224       35.391
  225       36.055
  226       36.461
  227       36.545
  228       36.727
  229       38.447
  230       38.864
  231       39.017
  232       39.072
  233       39.454
  234       40.342
  235       41.064
  236       41.877
  237       42.135
  238       42.343
  239       42.435
  240       42.477
  241       42.523
  242       43.422
  243       43.834
  244       44.247
  245       44.732
  246       44.973
  247       46.849
  248       46.972
  249       47.047
  250       47.275
  251       47.390
  252       49.297
  253       49.811
  254       50.103
  255       50.135
  256       50.283
  257       50.444
  258       50.589
  259       50.689
  260       51.024
  261       51.174
  262       51.186
  263       51.218
  264       51.246
  265       51.678
  266       51.701
  267       52.679
  268       52.882
  269       53.248
  270       53.644
  271       53.654
  272       53.685
  273       53.687
  274       53.745
  275       53.773
  276       53.853
  277       54.011
  278       54.170
  279       54.735
  280       54.936
  281       55.109
  282       55.307
  283       55.683
  284       55.721
  285       55.732
  286       55.920
  287       56.216
  288       56.263
  289       56.392
  290       56.959
  291       57.023
  292       57.854
  293       58.790
  294       59.063
  295       59.070
  296       59.088
  297       59.147
  298       60.358
  299       60.516
  300       60.535
  301       60.700
  302       61.046
  303       61.218
  304       61.279
  305       61.579
  306       61.610
  307       61.689
  308       61.970
  309       62.057
  310       62.089
  311       62.098
  312       62.185
  313       62.199
  314       62.373
  315       62.384
  316       62.667
  317       62.737
  318       62.996
  319       63.070
  320       63.241
  321       63.924
  322       63.988
  323       64.197
  324       64.554
  325       64.966
  326       65.262
  327       65.419
  328       65.486
  329       66.126
  330       66.272
  331       66.800
  332       66.939
  333       66.977
  334       67.375
  335       67.437
  336       67.462
  337       67.844
  338       68.191
  339       68.831
  340       69.302
  341       69.592
  342       69.645
  343       69.664
  344       70.021
  345       70.219
  346       70.281
  347       70.326
  348       70.720
  349       70.932
  350       71.109
  351       71.280
  352       71.451
  353       72.037
  354       72.142
  355       72.155
  356       72.285
  357       72.317
  358       72.454
  359       72.466
  360       72.566
  361       72.754
  362       72.983
  363       73.009
  364       73.232
  365       73.416
  366       73.557
  367       73.644
  368       73.693
  369       73.781
  370       73.822
  371       73.909
  372       73.959
  373       73.971
  374       74.251
  375       74.500
  376       74.674
  377       74.957
  378       75.023
  379       75.295
  380       75.866
  381       75.892
  382       76.213
  383       76.215
  384       76.458
  385       76.683
  386       76.981
  387       77.036
  388       77.214
  389       77.267
  390       77.769
  391       78.282
  392       78.283
  393       78.524
  394       79.048
  395       79.058
  396       79.363
  397       79.439
  398       80.049
  399       80.067
  400       80.813
  401       80.875
  402       80.959
  403       81.558
  404       81.849
  405       83.198
  406       83.774
  407       84.057
  408       84.349
  409       84.657
  410       84.830
  411       84.951
  412       85.143
  413       85.347
  414       85.375
  415       85.774
  416       85.824
  417       85.993
  418       86.148
  419       86.467
  420       86.751
  421       86.875
  422       87.209
  423       87.592
  424       87.691
  425       87.978
  426       88.137
  427       88.369
  428       89.321
  429       89.545
  430       89.948
  431       90.980
  432       92.076
  433       92.143
  434       94.723
  435       95.104
  436       96.376
  437       96.419
  438       96.981
  439       97.038
  440       98.146
  441       98.273
  442       99.616
  443      100.984
  444      102.565
  445      102.663
  446      108.666
  447      109.468
  448      112.719
  449      116.389
  450      117.240
  451      118.349
  452      120.421
  453      121.833
  454      138.447
  455      140.006
  456      143.162
Conformational isomers are listed in the same line:
1 2 
3 4 
5 6 9 11 
13 15 
14 16 17 19 20 23 
18 27 
34 40 
35 60 68 
36 37 38 42 43 46 47 48 49 51 52 56 57 59 61 63 64 67 69 73 75 78 85 87 89 
39 66 99 100 
41 44 53 54 55 65 
70 71 74 76 77 79 80 81 86 88 90 96 101 104 
82 92 
84 103 
93 94 95 97 102 105 106 109 110 113 114 116 118 121 123 124 133 136 
119 120 
122 131 138 145 148 152 166 
125 126 127 128 129 130 132 134 135 141 
139 142 146 
140 147 
153 158 160 161 164 169 
154 165 167 
171 172 182 
175 177 
179 180 
183 187 
185 186 
197 207 
205 209 
206 208 
211 215 
213 214 216 217 219 225 
229 233 237 
243 248 
246 249 250 
253 261 264 
254 260 266 
256 258 259 263 265 267 272 274 279 281 286 289 
269 271 277 278 285 290 
282 284 
291 295 
294 308 318 
301 304 305 339 
303 309 311 
306 312 
313 314 315 316 317 322 325 
324 326 327 328 329 331 335 338 
341 343 351 352 
344 367 376 
345 354 369 375 377 379 381 384 
347 348 368 372 374 
350 353 356 366 
362 364 
365 383 387 
392 397 
393 395 402 
408 409 410 411 412 413 415 
418 420 
423 429 
432 439 
436 440 
