TS  #    DG(kcal/mol)
    1      -12.772
    2       -4.898
    3       -4.286
    4       -3.762
    5       -3.392
    6       -2.873
    7       -2.595
    8       -2.508
    9       -2.082
   10       -1.865
   11       -1.628
   12       -1.511
   13       -0.404
   14        1.927
   15        4.257
   16        6.611
   17        9.209
   18       12.264
   19       15.402
   20       15.575
   21       16.442
   22       17.289
   23       17.548
   24       18.110
   25       18.454
   26       18.697
   27       18.769
   28       19.458
   29       19.513
   30       20.378
   31       21.634
   32       22.187
   33       22.611
   34       24.089
   35       25.365
   36       25.412
   37       25.947
   38       26.233
   39       26.438
   40       27.180
   41       27.416
   42       28.060
   43       28.395
   44       28.705
   45       28.910
   46       28.953
   47       29.202
   48       29.815
   49       30.433
   50       30.908
   51       30.944
   52       30.957
   53       31.340
   54       31.760
   55       32.022
   56       32.924
   57       33.224
   58       34.243
   59       34.455
   60       34.584
   61       34.649
   62       34.800
   63       34.923
   64       34.958
   65       35.401
   66       35.406
   67       35.696
   68       35.772
   69       35.859
   70       36.447
   71       36.526
   72       36.540
   73       36.631
   74       37.081
   75       37.368
   76       37.590
   77       37.624
   78       37.697
   79       37.766
   80       37.866
   81       38.086
   82       38.260
   83       38.338
   84       38.439
   85       38.451
   86       38.557
   87       38.575
   88       38.647
   89       38.699
   90       39.093
   91       39.139
   92       39.234
   93       39.359
   94       39.688
   95       40.196
   96       40.323
   97       40.366
   98       40.600
   99       40.605
  100       40.668
  101       40.798
  102       40.892
  103       41.015
  104       41.645
  105       41.851
  106       41.999
  107       42.320
  108       42.455
  109       42.524
  110       42.669
  111       42.793
  112       43.010
  113       43.100
  114       43.237
  115       43.390
  116       43.492
  117       44.539
  118       44.961
  119       45.046
  120       45.195
  121       45.402
  122       45.783
  123       46.065
  124       46.202
  125       46.355
  126       46.369
  127       46.747
  128       46.944
  129       47.049
  130       47.153
  131       47.210
  132       47.251
  133       47.360
  134       47.437
  135       47.440
  136       47.602
  137       47.741
  138       47.830
  139       47.841
  140       47.997
  141       48.021
  142       48.099
  143       48.452
  144       48.486
  145       48.540
  146       48.564
  147       48.640
  148       48.716
  149       49.132
  150       49.516
  151       49.562
  152       49.562
  153       49.615
  154       49.640
  155       49.875
  156       50.069
  157       50.085
  158       50.123
  159       50.370
  160       50.416
  161       50.728
  162       51.124
  163       51.552
  164       51.560
  165       51.812
  166       51.967
  167       52.456
  168       53.084
  169       53.139
  170       53.347
  171       53.413
  172       53.533
  173       53.643
  174       53.713
  175       53.882
  176       53.930
  177       53.946
  178       54.016
  179       54.047
  180       54.113
  181       54.157
  182       54.214
  183       54.225
  184       54.238
  185       54.267
  186       54.559
  187       54.570
  188       54.765
  189       54.938
  190       55.031
  191       55.060
  192       55.188
  193       55.213
  194       55.266
  195       55.336
  196       55.360
  197       55.422
  198       55.500
  199       55.586
  200       55.652
  201       55.884
  202       55.890
  203       56.196
  204       56.213
  205       56.325
  206       56.582
  207       56.641
  208       56.811
  209       56.812
  210       56.921
  211       56.982
  212       57.206
  213       57.229
  214       57.296
  215       57.302
  216       57.390
  217       57.436
  218       57.526
  219       57.848
  220       57.953
  221       57.969
  222       57.982
  223       58.143
  224       58.160
  225       58.414
  226       58.471
  227       58.496
  228       58.543
  229       58.612
  230       58.622
  231       58.666
  232       58.810
  233       58.817
  234       58.854
  235       58.907
  236       58.932
  237       58.939
  238       59.038
  239       59.077
  240       59.094
  241       59.198
  242       59.366
  243       59.525
  244       59.570
  245       59.613
  246       59.677
  247       59.792
  248       59.851
  249       59.875
  250       59.894
  251       59.927
  252       59.962
  253       59.963
  254       59.975
  255       59.996
  256       59.998
  257       60.097
  258       60.114
  259       60.129
  260       60.187
  261       60.443
  262       60.512
  263       60.523
  264       60.571
  265       60.595
  266       60.613
  267       60.700
  268       60.709
  269       60.756
  270       60.848
  271       60.873
  272       60.874
  273       60.951
  274       61.077
  275       61.119
  276       61.304
  277       61.308
  278       61.352
  279       61.354
  280       61.455
  281       61.464
  282       61.516
  283       61.571
  284       61.616
  285       61.681
  286       61.733
  287       61.791
  288       61.860
  289       61.976
  290       62.090
  291       62.099
  292       62.123
  293       62.235
  294       62.264
  295       62.268
  296       62.275
  297       62.277
  298       62.304
  299       62.353
  300       62.373
  301       62.394
  302       62.419
  303       62.439
  304       62.444
  305       62.453
  306       62.465
  307       62.481
  308       62.515
  309       62.559
  310       62.768
  311       62.780
  312       62.945
  313       63.095
  314       63.112
  315       63.185
  316       63.193
  317       63.235
  318       63.285
  319       63.403
  320       63.502
  321       63.512
  322       63.517
  323       63.544
  324       63.600
  325       63.645
  326       63.654
  327       63.682
  328       63.757
  329       63.783
  330       63.827
  331       63.879
  332       63.909
  333       63.930
  334       63.985
  335       64.037
  336       64.057
  337       64.061
  338       64.140
  339       64.227
  340       64.301
  341       64.396
  342       64.441
  343       64.471
  344       64.503
  345       64.533
  346       64.625
  347       64.640
  348       64.676
  349       64.690
  350       64.723
  351       64.770
  352       64.818
  353       64.903
  354       64.910
  355       64.963
  356       65.018
  357       65.061
  358       65.142
  359       65.164
  360       65.217
  361       65.255
  362       65.279
  363       65.300
  364       65.384
  365       65.423
  366       65.442
  367       65.548
  368       65.575
  369       65.724
  370       65.778
  371       65.792
  372       65.797
  373       65.826
  374       65.831
  375       65.848
  376       65.873
  377       65.931
  378       65.935
  379       66.066
  380       66.129
  381       66.132
  382       66.181
  383       66.216
  384       66.232
  385       66.404
  386       66.442
  387       66.533
  388       66.543
  389       66.566
  390       66.616
  391       66.661
  392       66.667
  393       66.718
  394       66.734
  395       66.738
  396       66.807
  397       66.808
  398       66.828
  399       66.899
  400       66.924
  401       66.946
  402       66.990
  403       67.183
  404       67.213
  405       67.268
  406       67.361
  407       67.383
  408       67.485
  409       67.549
  410       67.588
  411       67.661
  412       67.704
  413       67.736
  414       67.881
  415       67.912
  416       67.921
  417       67.948
  418       67.958
  419       68.024
  420       68.036
  421       68.070
  422       68.075
  423       68.142
  424       68.150
  425       68.166
  426       68.228
  427       68.239
  428       68.266
  429       68.284
  430       68.346
  431       68.481
  432       68.496
  433       68.551
  434       68.552
  435       68.561
  436       68.863
  437       68.971
  438       69.099
  439       69.121
  440       69.136
  441       69.189
  442       69.258
  443       69.327
  444       69.341
  445       69.389
  446       69.407
  447       69.450
  448       69.454
  449       69.490
  450       69.493
  451       69.535
  452       69.564
  453       69.581
  454       69.653
  455       69.656
  456       69.705
  457       69.749
  458       69.752
  459       69.767
  460       69.860
  461       69.861
  462       69.905
  463       70.008
  464       70.050
  465       70.111
  466       70.259
  467       70.382
  468       70.592
  469       70.622
  470       70.821
  471       70.855
  472       70.874
  473       70.896
  474       70.991
  475       71.041
  476       71.081
  477       71.175
  478       71.303
  479       71.319
  480       71.412
  481       71.441
  482       71.559
  483       71.589
  484       71.595
  485       71.660
  486       71.738
  487       71.847
  488       71.865
  489       72.094
  490       72.113
  491       72.165
  492       72.192
  493       72.199
  494       72.227
  495       72.405
  496       72.412
  497       72.435
  498       72.447
  499       72.555
  500       72.569
  501       72.632
  502       72.656
  503       72.685
  504       72.877
  505       72.998
  506       73.056
  507       73.126
  508       73.409
  509       73.442
  510       73.457
  511       73.509
  512       73.879
  513       73.881
  514       73.888
  515       73.898
  516       73.907
  517       73.950
  518       74.003
  519       74.005
  520       74.006
  521       74.014
  522       74.060
  523       74.177
  524       74.192
  525       74.205
  526       74.406
  527       74.467
  528       74.485
  529       74.596
  530       74.708
  531       74.778
  532       74.815
  533       74.964
  534       74.980
  535       75.108
  536       75.117
  537       75.148
  538       75.220
  539       75.246
  540       75.305
  541       75.322
  542       75.414
  543       75.416
  544       75.426
  545       75.668
  546       75.716
  547       75.786
  548       75.883
  549       75.897
  550       75.953
  551       76.209
  552       76.219
  553       76.275
  554       76.711
  555       76.722
  556       76.787
  557       76.856
  558       76.995
  559       77.253
  560       77.267
  561       77.574
  562       77.674
  563       77.702
  564       77.781
  565       77.894
  566       77.909
  567       77.918
  568       77.919
  569       77.923
  570       78.043
  571       78.285
  572       78.348
  573       78.390
  574       78.404
  575       78.491
  576       78.515
  577       78.740
  578       78.831
  579       78.861
  580       78.979
  581       79.045
  582       79.154
  583       79.166
  584       79.250
  585       79.285
  586       79.320
  587       79.649
  588       79.677
  589       79.681
  590       79.730
  591       79.740
  592       79.829
  593       79.861
  594       79.873
  595       79.952
  596       80.085
  597       80.244
  598       80.330
  599       80.493
  600       80.724
  601       80.797
  602       80.850
  603       80.856
  604       80.888
  605       80.909
  606       80.974
  607       81.002
  608       81.038
  609       81.053
  610       81.099
  611       81.122
  612       81.146
  613       81.181
  614       81.250
  615       81.333
  616       81.498
  617       81.519
  618       81.634
  619       81.694
  620       81.787
  621       81.826
  622       81.839
  623       81.842
  624       81.858
  625       81.918
  626       81.939
  627       81.964
  628       81.999
  629       82.037
  630       82.038
  631       82.123
  632       82.179
  633       82.187
  634       82.236
  635       82.417
  636       82.467
  637       82.492
  638       82.505
  639       82.535
  640       82.578
  641       82.629
  642       82.663
  643       82.682
  644       82.695
  645       82.809
  646       82.825
  647       82.876
  648       82.910
  649       82.964
  650       83.024
  651       83.172
  652       83.184
  653       83.207
  654       83.309
  655       83.342
  656       83.352
  657       83.488
  658       83.501
  659       83.581
  660       83.589
  661       83.678
  662       83.847
  663       83.856
  664       84.055
  665       84.074
  666       84.172
  667       84.205
  668       84.248
  669       84.379
  670       84.425
  671       84.427
  672       84.528
  673       84.756
  674       84.758
  675       84.806
  676       84.899
  677       84.907
  678       84.966
  679       84.976
  680       84.980
  681       85.091
  682       85.152
  683       85.180
  684       85.210
  685       85.390
  686       85.503
  687       85.533
  688       85.571
  689       85.655
  690       85.717
  691       85.780
  692       85.853
  693       85.962
  694       85.974
  695       86.083
  696       86.087
  697       86.121
  698       86.204
  699       86.273
  700       86.283
  701       86.318
  702       86.353
  703       86.395
  704       86.452
  705       86.499
  706       86.516
  707       86.676
  708       86.727
  709       86.847
  710       86.964
  711       87.181
  712       87.197
  713       87.233
  714       87.679
  715       87.773
  716       88.188
  717       88.421
  718       88.505
  719       88.564
  720       88.600
  721       88.801
  722       89.163
  723       89.571
  724       89.696
  725       89.696
  726       89.783
  727       89.793
  728       89.844
  729       89.949
  730       90.003
  731       90.061
  732       90.072
  733       90.109
  734       90.143
  735       90.401
  736       90.408
  737       90.494
  738       90.893
  739       91.363
  740       91.607
  741       91.659
  742       91.962
  743       92.381
  744       92.414
  745       92.415
  746       92.512
  747       92.669
  748       92.719
  749       92.967
  750       93.371
  751       93.386
  752       93.391
  753       93.650
  754       93.710
  755       93.715
  756       93.766
  757       93.771
  758       94.032
  759       94.095
  760       94.206
  761       94.228
  762       94.293
  763       94.365
  764       94.430
  765       94.546
  766       94.564
  767       94.597
  768       95.131
  769       95.357
  770       95.600
  771       95.632
  772       95.697
  773       95.870
  774       96.076
  775       96.088
  776       96.117
  777       96.661
  778       96.738
  779       97.195
  780       97.314
  781       97.431
  782       97.610
  783       97.724
  784       98.063
  785       98.112
  786       98.239
  787       98.321
  788       98.335
  789       98.687
  790       98.787
  791       98.791
  792       98.884
  793       98.939
  794       99.272
  795       99.406
  796       99.662
  797       99.743
  798       99.886
  799       99.969
  800      100.077
  801      100.178
  802      100.294
  803      100.374
  804      100.532
  805      100.595
  806      100.808
  807      101.235
  808      101.270
  809      101.485
  810      101.653
  811      101.790
  812      101.888
  813      102.268
  814      102.515
  815      102.546
  816      102.587
  817      103.054
  818      103.059
  819      103.571
  820      103.574
  821      103.697
  822      103.730
  823      104.631
  824      104.790
  825      104.830
  826      104.911
  827      104.968
  828      105.034
  829      105.082
  830      105.261
  831      105.291
  832      105.375
  833      106.160
  834      106.210
  835      106.335
  836      106.778
  837      106.852
  838      107.158
  839      107.328
  840      107.519
  841      108.184
  842      108.664
  843      108.877
  844      108.916
  845      109.181
  846      109.628
  847      109.642
  848      109.882
  849      109.955
  850      110.339
  851      110.390
  852      110.849
  853      111.371
  854      111.610
  855      111.824
  856      112.286
  857      112.839
  858      113.218
  859      113.237
  860      113.284
  861      114.007
  862      114.044
  863      114.110
  864      114.121
  865      114.292
  866      114.330
  867      114.435
  868      114.577
  869      114.603
  870      114.899
  871      115.484
  872      115.586
  873      115.616
  874      116.318
  875      116.381
  876      116.392
  877      116.662
  878      117.691
  879      118.116
  880      118.631
  881      118.737
  882      119.027
  883      119.031
  884      119.496
  885      120.039
  886      120.042
  887      120.138
  888      120.385
  889      120.426
  890      121.166
  891      121.545
  892      122.014
  893      122.441
  894      122.545
  895      123.033
  896      124.317
  897      124.642
  898      124.968
  899      125.024
  900      125.379
  901      125.761
  902      126.227
  903      126.491
  904      126.510
  905      127.226
  906      127.412
  907      127.415
  908      127.763
  909      127.804
  910      128.371
  911      128.624
  912      128.641
  913      128.816
  914      129.253
  915      129.687
  916      129.785
  917      130.564
  918      130.727
  919      130.853
  920      131.123
  921      131.498
  922      134.294
  923      135.120
  924      136.120
  925      136.178
  926      136.317
  927      136.606
  928      136.634
  929      136.814
  930      138.430
  931      138.663
  932      139.130
  933      140.395
  934      142.423
  935      144.295
Conformational isomers are listed in the same line:
3 4 5 9 10 12 14 274 
6 11 13 377 
222 241 
17 19 
23 27 28 
26 37 
40 41 43 45 46 55 
48 52 53 
56 57 
58 61 71 
59 60 66 84 87 97 98 100 
73 76 80 
74 178 
81 89 92 
83 95 96 163 353 
149 150 
289 304 317 360 412 
99 114 
106 112 
116 117 
138 147 
162 167 171 191 
164 175 211 
169 187 
173 184 
174 183 200 208 223 237 239 
177 181 
193 251 
212 230 
217 232 
219 288 
221 224 256 
227 229 240 275 
228 236 252 
231 235 254 457 
266 278 
246 270 294 
247 255 272 276 280 283 284 287 291 293 295 298 299 300 302 308 310 311 312 315 316 319 320 323 325 329 334 340 343 357 358 364 376 380 381 382 384 392 393 394 398 399 410 411 416 433 
527 529 533 
281 290 
297 306 330 
305 346 
309 344 385 387 415 425 430 474 
321 328 336 354 356 375 388 397 
326 333 420 
345 350 
347 351 367 371 449 
348 366 
421 431 435 437 438 439 440 446 448 451 452 456 465 467 470 471 479 598 
365 499 
390 417 
480 484 
402 423 426 
413 466 
454 461 464 
469 501 
481 492 526 534 537 547 569 
477 488 
494 546 
490 497 513 520 
495 517 
496 509 522 566 
505 515 531 542 544 
575 585 
559 586 
561 595 
570 596 
576 580 584 593 630 649 694 704 
600 633 643 681 729 
604 625 
605 606 622 646 666 667 688 715 
607 702 
616 636 
620 662 682 707 
628 641 648 
806 814 
635 692 
642 657 
644 669 
670 705 
654 664 
656 699 737 739 
660 683 690 721 
696 711 775 
701 716 
703 720 
719 733 
731 732 736 754 
740 746 
748 751 
753 765 
785 796 
794 816 
808 813 
830 848 
873 875 
