TS  #    DG(kcal/mol)
    1      -20.972
    2       -4.753
    3       -4.533
    4       -4.247
    5       -3.854
    6       -3.756
    7       -1.554
    8        3.341
    9        3.526
   10        4.595
   11       10.448
   12       10.455
   13       19.463
   14       21.914
   15       22.503
   16       31.892
   17       32.406
   18       33.197
   19       33.890
   20       37.925
   21       41.167
   22       41.342
   23       42.814
   24       43.829
   25       44.008
   26       44.712
   27       45.693
   28       47.114
   29       48.202
   30       48.680
   31       49.509
   32       49.645
   33       50.095
   34       50.278
   35       50.585
   36       50.788
   37       51.396
   38       52.141
   39       52.388
   40       52.395
   41       54.047
   42       54.578
   43       54.877
   44       55.508
   45       55.817
   46       55.882
   47       56.489
   48       60.659
   49       61.410
   50       62.890
   51       63.690
   52       64.650
   53       64.780
   54       65.267
   55       65.651
   56       65.733
   57       66.481
   58       66.715
   59       67.031
   60       67.123
   61       67.831
   62       68.280
   63       68.797
   64       68.844
   65       69.243
   66       71.336
   67       71.858
   68       71.922
   69       72.494
   70       72.756
   71       73.011
   72       73.539
   73       73.897
   74       74.206
   75       75.092
   76       75.458
   77       77.442
   78       78.187
   79       78.313
   80       78.768
   81       78.842
   82       78.913
   83       79.367
   84       79.425
   85       79.476
   86       79.890
   87       80.351
   88       80.649
   89       81.643
   90       82.144
   91       82.156
   92       82.396
   93       82.542
   94       82.800
   95       83.588
   96       83.881
   97       83.908
   98       84.351
   99       84.632
  100       84.745
  101       84.768
  102       85.163
  103       85.179
  104       85.201
  105       85.251
  106       85.310
  107       85.393
  108       85.626
  109       85.721
  110       85.723
  111       85.767
  112       85.771
  113       85.872
  114       86.045
  115       86.792
  116       87.039
  117       87.247
  118       87.873
  119       87.917
  120       88.309
  121       88.428
  122       88.760
  123       88.824
  124       88.874
  125       89.048
  126       89.270
  127       89.489
  128       89.654
  129       89.704
  130       89.766
  131       89.832
  132       89.951
  133       90.311
  134       90.428
  135       90.447
  136       90.455
  137       90.491
  138       90.638
  139       90.816
  140       90.842
  141       90.868
  142       90.969
  143       91.051
  144       91.800
  145       92.086
  146       92.890
  147       92.961
  148       93.382
  149       93.555
  150       93.963
  151       94.304
  152       94.324
  153       94.353
  154       94.549
  155       94.870
  156       95.021
  157       95.145
  158       95.506
  159       95.581
  160       95.794
  161       96.112
  162       96.308
  163       96.336
  164       96.362
  165       96.641
  166       96.783
  167       96.805
  168       96.852
  169       96.889
  170       96.943
  171       96.990
  172       97.015
  173       97.217
  174       97.267
  175       97.321
  176       97.580
  177       97.932
  178       98.093
  179       98.118
  180       98.428
  181       98.430
  182       98.467
  183       98.469
  184       98.542
  185       98.573
  186       98.749
  187       98.778
  188       99.043
  189       99.661
  190       99.727
  191       99.806
Conformational isomers are listed in the same line:
2 4 
8 9 10 
11 12 
13 15 
21 25 
26 43 178 
38 40 41 
28 29 
36 39 
30 33 
54 58 
34 45 
42 44 
79 113 
56 60 
64 164 
66 67 
77 83 
88 103 107 
168 170 
97 99 
133 139 
101 114 
105 147 
121 130 138 
122 124 131 135 136 
123 126 142 143 
134 137 167 
148 152 159 191 
149 163 
153 169 
155 176 
158 171 
166 179 182 
172 175 183 
