TS  #    DE(kcal/mol)
    1        1.063
    2        1.956
    3       12.268
    4       13.864
    5       14.111
    6       14.197
    7       14.613
    8       15.063
    9       15.711
   10       15.823
   11       28.214
   12       29.623
   13       30.223
   14       30.480
   15       30.624
   16       32.103
   17       32.456
   18       32.610
   19       33.138
   20       34.370
   21       38.009
   22       38.999
   23       41.808
   24       42.157
   25       42.584
   26       43.292
   27       43.311
   28       43.406
   29       43.640
   30       43.664
   31       43.719
   32       43.921
   33       44.044
   34       44.574
   35       44.629
   36       44.722
   37       46.514
   38       50.567
   39       51.682
   40       52.546
   41       52.778
   42       52.976
   43       53.018
   44       53.136
   45       53.956
   46       54.170
   47       55.062
   48       55.172
   49       55.956
   50       56.572
   51       59.121
   52       63.454
   53       63.654
   54       63.783
   55       63.824
   56       63.864
   57       64.117
   58       64.473
   59       64.484
   60       64.702
   61       64.842
   62       64.844
   63       65.099
   64       65.323
   65       65.432
   66       65.648
   67       65.757
   68       66.492
   69       67.391
   70       68.592
   71       69.265
   72       69.698
   73       69.845
   74       70.838
   75       71.213
   76       71.360
   77       71.443
   78       71.571
   79       72.300
   80       72.623
   81       72.842
   82       72.955
   83       75.000
   84       78.067
   85       79.507
   86       79.640
   87       79.989
   88       80.508
   89       80.519
   90       80.537
   91       80.549
   92       80.637
   93       81.486
   94       81.490
   95       81.503
   96       81.850
   97       82.276
   98       82.295
   99       82.395
  100       82.440
  101       82.946
  102       83.092
  103       83.182
  104       83.187
  105       83.305
  106       83.485
  107       83.689
  108       83.886
  109       83.891
  110       83.899
  111       84.227
  112       84.335
  113       84.511
  114       85.529
  115       85.699
  116       85.706
  117       87.321
  118       88.042
  119       88.186
  120       89.087
  121       89.485
  122       92.461
  123       95.207
  124       95.983
  125       96.446
  126       96.581
  127       99.608
  128      100.001
  129      100.077
  130      100.895
  131      101.264
  132      101.386
  133      102.248
  134      103.829
  135      105.947
  136      106.405
  137      107.053
  138      107.507
  139      107.675
  140      107.752
  141      107.909
  142      108.525
  143      109.169
  144      109.235
  145      110.475
  146      111.048
  147      111.123
  148      111.309
  149      111.524
  150      111.658
  151      111.775
  152      112.257
  153      112.825
  154      115.818
  155      116.486
  156      116.562
  157      117.004
  158      117.103
  159      118.873
  160      119.048
  161      119.133
  162      119.515
  163      119.836
  164      121.363
  165      122.666
  166      123.865
  167      124.652
  168      125.102
  169      126.985
  170      126.995
  171      127.215
  172      128.067
  173      129.875
  174      130.047
  175      130.447
  176      130.722
  177      131.373
  178      132.912
  179      133.756
  180      134.566
  181      136.446
  182      136.676
  183      137.678
  184      139.593
  185      141.532
  186      141.709
  187      142.727
  188      143.258
  189      143.508
  190      144.022
  191      145.400
  192      145.833
  193      145.938
  194      146.586
  195      146.612
  196      147.071
  197      150.025
  198      150.313
  199      150.464
  200      152.592
  201      156.234
  202      156.597
  203      156.691
  204      156.740
  205      156.795
  206      157.138
  207      157.172
  208      157.278
  209      157.944
  210      157.992
  211      158.347
  212      159.348
  213      160.454
  214      160.637
  215      161.268
  216      161.451
  217      161.819
  218      174.242
  219      177.118
  220      191.255
  221      194.713
  222      196.177
  223      197.881
  224      227.901
Conformational isomers are listed in the same line:
16 17 18 19 
23 24 25 27 
38 41 48 50 
47 49 96 
74 75 
79 83 140 141 
88 89 90 126 
97 121 
103 109 112 145 
164 188 
190 192 
171 174 
194 196 197 
185 202 203 
213 215 
