TS  #    DG(kcal/mol)
    1        0.876
    2        0.886
    3        2.414
    4        2.515
    5        3.027
    6        3.574
    7        7.640
    8       17.964
    9       22.675
   10       28.411
   11       30.129
   12       30.782
   13       31.438
   14       31.439
   15       33.567
   16       35.536
   17       35.926
   18       36.276
   19       36.440
   20       36.803
   21       36.930
   22       37.133
   23       37.279
   24       37.668
   25       38.285
   26       38.375
   27       38.565
   28       38.889
   29       39.716
   30       40.191
   31       40.453
   32       40.893
   33       41.089
   34       41.128
   35       42.916
   36       43.725
   37       43.816
   38       44.023
   39       44.202
   40       44.539
   41       44.624
   42       45.350
   43       45.652
   44       45.726
   45       45.908
   46       46.058
   47       46.186
   48       46.266
   49       46.693
   50       46.816
   51       46.824
   52       47.365
   53       48.160
   54       48.235
   55       48.812
   56       48.842
   57       49.678
   58       50.789
   59       51.429
   60       51.527
   61       51.571
   62       51.608
   63       52.267
   64       52.517
   65       52.533
   66       52.667
   67       52.953
   68       53.669
   69       53.802
   70       53.895
   71       54.207
   72       54.651
   73       54.666
   74       54.740
   75       54.842
   76       55.043
   77       55.792
   78       55.819
   79       55.887
   80       56.076
   81       56.229
   82       56.955
   83       57.230
   84       58.025
   85       58.037
   86       58.157
   87       58.691
   88       58.812
   89       58.925
   90       59.052
   91       59.109
   92       59.221
   93       59.776
   94       59.934
   95       59.937
   96       59.964
   97       59.999
   98       60.029
   99       60.122
  100       60.462
  101       60.880
  102       60.950
  103       61.129
  104       61.291
  105       61.742
  106       61.838
  107       61.842
  108       62.325
  109       62.343
  110       62.354
  111       62.357
  112       62.446
  113       62.767
  114       62.818
  115       62.919
  116       63.151
  117       63.222
  118       63.261
  119       63.386
  120       63.433
  121       63.508
  122       63.748
  123       64.080
  124       64.711
  125       64.762
  126       64.850
  127       64.969
  128       64.971
  129       64.999
  130       65.009
  131       65.044
  132       65.195
  133       65.204
  134       65.370
  135       65.525
  136       65.683
  137       65.984
  138       66.269
  139       66.317
  140       66.322
  141       66.582
  142       66.682
  143       66.694
  144       66.718
  145       66.737
  146       66.793
  147       66.802
  148       66.851
  149       67.064
  150       67.130
  151       67.303
  152       67.394
  153       67.399
  154       67.488
  155       67.491
  156       67.548
  157       67.574
  158       67.581
  159       67.595
  160       67.740
  161       67.983
  162       68.007
  163       68.070
  164       68.114
  165       68.151
  166       68.172
  167       68.219
  168       68.310
  169       68.317
  170       68.362
  171       68.444
  172       68.549
  173       68.622
  174       68.632
  175       68.635
  176       68.661
  177       68.724
  178       68.749
  179       68.907
  180       69.179
  181       69.182
  182       69.399
  183       69.415
  184       69.475
  185       69.666
  186       69.721
  187       69.852
  188       69.866
  189       70.063
  190       70.172
  191       70.196
  192       70.315
  193       70.419
  194       70.449
  195       70.776
  196       70.879
  197       70.978
  198       70.984
  199       71.039
  200       71.209
  201       71.214
  202       71.389
  203       71.533
  204       71.875
  205       71.923
  206       71.928
  207       72.379
  208       72.392
  209       72.592
  210       73.027
  211       73.115
  212       73.162
  213       73.276
  214       73.438
  215       73.748
  216       73.902
  217       73.902
  218       73.911
  219       73.969
  220       74.016
  221       74.063
  222       74.214
  223       74.267
  224       74.354
  225       74.373
  226       74.440
  227       74.450
  228       74.587
  229       74.590
  230       74.880
  231       75.040
  232       75.086
  233       75.168
  234       75.280
  235       75.303
  236       75.337
  237       75.360
  238       75.379
  239       75.575
  240       75.749
  241       75.897
  242       75.970
  243       75.995
  244       76.109
  245       76.511
  246       76.538
  247       76.601
  248       76.719
  249       76.806
  250       76.808
  251       76.837
  252       76.843
  253       77.098
  254       77.164
  255       77.192
  256       77.379
  257       77.451
  258       77.476
  259       77.488
  260       77.506
  261       77.521
  262       77.678
  263       77.795
  264       77.826
  265       78.112
  266       78.118
  267       78.134
  268       78.167
  269       78.191
  270       78.366
  271       78.378
  272       78.381
  273       78.411
  274       78.435
  275       78.440
  276       78.646
  277       78.658
  278       78.696
  279       78.722
  280       78.807
  281       78.914
  282       78.990
  283       79.141
  284       79.220
  285       79.673
  286       79.753
  287       79.828
  288       80.333
  289       80.580
  290       80.608
  291       80.655
  292       80.680
  293       80.696
  294       80.752
  295       80.793
  296       80.907
  297       81.158
  298       81.203
  299       81.435
  300       81.479
  301       81.495
  302       81.619
  303       81.650
  304       81.653
  305       81.667
  306       81.738
  307       82.077
  308       82.160
  309       82.163
  310       82.201
  311       82.277
  312       82.302
  313       82.350
  314       82.352
  315       82.382
  316       82.543
  317       82.717
  318       82.782
  319       82.797
  320       82.933
  321       83.062
  322       83.107
  323       83.124
  324       83.373
  325       83.395
  326       83.404
  327       83.519
  328       83.624
  329       83.761
  330       83.763
  331       83.939
  332       83.950
  333       84.076
  334       84.227
  335       84.280
  336       84.393
  337       84.522
  338       84.534
  339       84.641
  340       84.755
  341       84.781
  342       84.835
  343       84.841
  344       84.901
  345       84.915
  346       84.918
  347       85.044
  348       85.148
  349       85.186
  350       85.233
  351       85.428
  352       85.502
  353       85.684
  354       85.686
  355       85.710
  356       85.744
  357       85.952
  358       86.002
  359       86.019
  360       86.041
  361       86.060
  362       86.078
  363       86.135
  364       86.226
  365       86.339
  366       86.362
  367       86.386
  368       86.405
  369       86.413
  370       86.467
  371       86.588
  372       86.600
  373       86.706
  374       86.871
  375       87.001
  376       87.014
  377       87.027
  378       87.192
  379       87.205
  380       87.226
  381       87.325
  382       87.356
  383       87.389
  384       87.605
  385       87.630
  386       87.674
  387       87.687
  388       87.727
  389       87.741
  390       87.931
  391       88.026
  392       88.179
  393       88.196
  394       88.279
  395       88.711
  396       88.723
  397       88.767
  398       88.837
  399       89.200
  400       89.214
  401       89.235
  402       89.288
  403       89.375
  404       89.510
  405       89.526
  406       89.760
  407       89.844
  408       89.853
  409       90.005
  410       90.084
  411       90.164
  412       90.252
  413       90.399
  414       90.632
  415       90.721
  416       90.798
  417       90.925
  418       91.052
  419       91.254
  420       91.270
  421       91.378
  422       91.691
  423       91.786
  424       91.817
  425       91.915
  426       92.012
  427       92.137
  428       92.332
  429       92.512
  430       92.591
  431       92.812
  432       92.826
  433       92.854
  434       92.911
  435       93.036
  436       93.116
  437       93.290
  438       93.462
  439       93.739
  440       93.777
  441       93.931
  442       94.325
  443       94.529
  444       94.681
  445       94.843
  446       94.852
  447       94.886
  448       95.011
  449       95.012
  450       95.336
  451       95.350
  452       95.537
  453       95.781
  454       95.966
  455       96.259
  456       96.386
  457       96.391
  458       96.441
  459       96.519
  460       96.681
  461       96.938
  462       97.085
  463       97.173
  464       97.413
  465       97.433
  466       97.657
  467       97.847
  468       98.084
  469       98.411
  470       98.477
  471       98.768
  472       98.824
  473       99.119
  474       99.757
  475       99.771
  476       99.792
  477       99.911
  478       99.980
  479      100.721
  480      100.895
  481      101.093
  482      101.129
  483      101.253
  484      101.468
  485      101.673
  486      101.700
  487      101.715
  488      101.742
  489      102.465
  490      102.691
  491      102.740
  492      102.851
  493      103.098
  494      103.105
  495      103.217
  496      103.629
  497      104.121
  498      104.255
  499      104.980
  500      105.117
  501      105.505
  502      105.614
  503      105.619
  504      106.041
  505      106.140
  506      106.228
  507      106.650
  508      106.743
  509      106.877
  510      107.009
  511      107.009
  512      107.032
  513      107.189
  514      107.557
  515      107.822
  516      107.891
  517      108.325
  518      108.424
  519      109.319
  520      109.342
  521      109.503
  522      109.760
  523      109.785
  524      109.943
  525      110.470
  526      110.779
  527      111.001
  528      111.245
  529      112.383
  530      113.257
  531      113.264
  532      113.337
  533      113.610
  534      113.885
  535      114.779
  536      114.802
  537      115.229
  538      115.244
  539      116.074
  540      116.210
  541      116.367
  542      117.311
  543      117.317
  544      117.499
  545      117.631
  546      118.133
  547      118.201
  548      118.231
  549      118.237
  550      118.449
  551      118.523
  552      118.624
  553      118.874
  554      119.329
  555      119.822
  556      119.824
  557      119.941
  558      120.216
  559      120.279
  560      121.061
  561      121.344
  562      121.361
  563      121.434
  564      121.825
  565      121.959
  566      122.201
  567      122.444
  568      123.065
  569      123.265
  570      123.478
  571      123.640
  572      123.860
  573      125.576
  574      125.795
  575      125.994
  576      126.441
  577      126.678
  578      126.810
  579      127.524
  580      127.606
  581      127.841
  582      128.534
  583      128.588
  584      128.601
  585      129.032
  586      130.005
  587      130.074
  588      130.153
  589      132.368
  590      132.573
  591      133.170
  592      133.813
  593      133.945
  594      134.745
  595      134.967
  596      135.011
  597      135.165
  598      135.460
  599      135.595
  600      135.790
  601      136.644
  602      137.149
  603      139.783
  604      140.236
  605      140.320
  606      140.550
  607      141.684
  608      141.869
  609      141.872
  610      142.343
  611      144.293
  612      145.461
  613      172.153
Conformational isomers are listed in the same line:
1 2 3 4 5 
9 14 
37 50 
33 57 
35 36 41 42 
224 227 231 
62 64 85 
63 67 
80 86 
87 88 92 95 
91 99 103 
110 114 118 
117 121 131 
125 127 136 138 139 142 143 145 148 149 150 152 154 164 167 168 170 171 173 176 178 180 182 183 184 185 186 189 196 200 204 207 
126 129 132 
133 147 
141 146 156 175 187 
144 158 166 179 195 208 
151 162 
153 155 157 160 163 169 174 
177 194 197 198 203 206 213 223 225 226 228 232 
181 188 
281 284 285 286 290 
423 430 434 
193 244 
212 215 219 222 
230 237 242 
235 250 262 276 
239 240 246 
241 243 
251 270 
254 261 274 275 278 299 301 302 303 305 
257 422 
258 260 263 264 272 287 
259 329 332 336 470 
266 306 
402 442 452 
282 283 292 
291 308 323 
300 315 
304 307 311 313 314 319 324 330 333 
349 352 362 370 372 373 383 391 
353 361 
385 398 404 
326 328 335 
334 337 341 343 347 350 356 
344 345 
355 377 405 413 
371 380 
360 363 376 378 
365 375 381 388 390 394 397 399 
369 415 419 420 
384 424 428 
387 389 393 411 
400 417 
489 490 
406 416 
410 414 
426 436 
433 439 
446 449 451 
495 496 
522 526 
537 554 
561 563 
568 570 
