TS  #    DG(kcal/mol)
    1       -8.242
    2       -5.291
    3       -4.132
    4       -3.851
    5       -3.426
    6       -2.982
    7        1.243
    8        1.281
    9        1.831
   10        2.701
   11        3.606
   12        5.426
   13        5.884
   14        5.888
   15        6.404
   16        8.999
   17        9.602
   18        9.749
   19        9.823
   20       12.197
   21       13.821
   22       14.292
   23       16.801
   24       17.432
   25       20.181
   26       23.443
   27       23.725
   28       23.903
   29       24.154
   30       24.335
   31       24.527
   32       25.447
   33       25.529
   34       26.289
   35       26.332
   36       26.943
   37       27.000
   38       27.310
   39       27.965
   40       28.388
   41       28.938
   42       29.294
   43       29.418
   44       29.871
   45       29.885
   46       30.190
   47       30.322
   48       30.701
   49       30.729
   50       30.844
   51       31.281
   52       31.448
   53       31.760
   54       31.841
   55       32.184
   56       32.283
   57       32.684
   58       32.722
   59       32.727
   60       33.115
   61       33.265
   62       33.664
   63       33.928
   64       34.197
   65       34.564
   66       35.435
   67       35.628
   68       36.591
   69       36.644
   70       36.725
   71       36.741
   72       37.171
   73       37.509
   74       38.608
   75       38.722
   76       38.891
   77       39.085
   78       39.949
   79       39.994
   80       40.304
   81       40.306
   82       41.428
   83       41.507
   84       41.640
   85       42.046
   86       42.424
   87       43.468
   88       43.473
   89       44.382
   90       44.420
   91       45.219
   92       45.616
   93       45.783
   94       46.115
   95       46.952
   96       47.182
   97       47.398
   98       47.827
   99       47.958
  100       48.032
  101       48.261
  102       48.280
  103       48.322
  104       48.560
  105       48.576
  106       48.587
  107       48.833
  108       48.942
  109       49.135
  110       49.168
  111       49.246
  112       49.285
  113       49.802
  114       50.081
  115       50.099
  116       50.202
  117       50.287
  118       50.464
  119       50.512
  120       50.535
  121       50.555
  122       50.806
  123       50.869
  124       50.968
  125       50.970
  126       51.067
  127       51.526
  128       51.912
  129       51.961
  130       52.047
  131       52.123
  132       52.665
  133       52.808
  134       53.857
  135       54.120
  136       54.393
  137       54.443
  138       55.090
  139       55.626
  140       56.577
  141       56.698
  142       56.856
  143       57.358
  144       57.428
  145       57.710
  146       58.440
  147       58.898
  148       59.288
  149       59.551
  150       61.252
  151       61.348
  152       62.017
  153       62.461
  154       62.568
  155       62.924
  156       63.239
  157       63.749
  158       64.146
  159       64.222
  160       64.431
  161       64.940
  162       65.044
  163       65.085
  164       65.304
  165       65.418
  166       65.669
  167       65.899
  168       65.984
  169       66.146
  170       66.154
  171       66.364
  172       66.702
  173       66.791
  174       66.834
  175       67.604
  176       67.907
  177       68.170
  178       68.536
  179       69.428
  180       69.809
  181       69.881
  182       70.218
  183       70.929
  184       71.458
  185       71.462
  186       71.872
  187       72.301
  188       72.402
  189       72.699
  190       73.306
  191       73.632
  192       73.732
  193       74.060
  194       75.215
  195       75.248
  196       75.533
  197       75.735
  198       76.175
  199       76.204
  200       76.222
  201       76.947
  202       76.974
  203       77.135
  204       77.211
  205       78.896
  206       78.897
  207       79.071
  208       79.726
  209       79.740
  210       80.213
  211       80.571
  212       80.851
  213       80.935
  214       82.038
  215       82.078
  216       82.083
  217       83.834
  218       83.985
  219       84.602
  220       85.633
  221       85.787
  222       85.790
  223       85.981
  224       86.929
  225       87.261
  226       88.253
  227       89.933
  228       90.060
  229       90.268
  230       91.148
  231       91.759
  232       91.965
  233       92.101
  234       93.170
  235       94.263
  236       95.139
  237       95.889
  238       96.776
  239       96.987
  240      100.171
Conformational isomers are listed in the same line:
2 4 
176 184 188 
6 8 
7 9 13 
105 108 112 116 
119 122 128 
124 147 240 
12 17 
101 115 
20 22 24 
26 27 
28 29 38 
31 32 33 35 36 37 
41 42 43 45 51 53 
66 76 
39 50 
49 52 54 55 59 62 65 71 73 75 83 
84 85 
86 96 97 
91 117 
111 134 
99 113 126 131 
135 136 137 140 
114 118 120 127 
150 159 
153 158 
160 162 163 170 
164 173 182 
171 177 178 179 
190 192 198 
172 185 
200 206 
236 239 
223 225 
227 232 233 
