TS  #    DG(kcal/mol)
    1        1.748
    2        5.778
    3       20.676
    4       33.952
    5       39.489
    6       46.846
    7       56.038
    8       56.176
    9       56.767
   10       57.067
   11       58.231
   12       58.368
   13       59.706
   14       60.863
   15       61.097
   16       62.880
   17       63.590
   18       65.250
   19       65.305
   20       65.762
   21       65.775
   22       66.308
   23       67.810
   24       68.952
   25       70.846
   26       72.153
   27       73.619
   28       74.631
   29       74.905
   30       76.540
   31       76.702
   32       76.899
   33       77.051
   34       77.524
   35       77.565
   36       77.949
   37       78.028
   38       78.867
   39       78.993
   40       80.126
   41       81.119
   42       81.277
   43       81.826
   44       82.003
   45       82.366
   46       84.812
   47       84.941
   48       85.333
   49       85.929
   50       87.091
   51       87.212
   52       87.888
   53       88.368
   54       88.814
   55       89.103
   56       89.434
   57       89.449
   58       89.837
   59       90.150
   60       90.163
   61       91.041
   62       92.069
   63       92.294
   64       92.297
   65       92.430
   66       92.537
   67       92.668
   68       93.074
   69       93.356
   70       94.022
   71       95.246
   72       95.517
   73       95.629
   74       96.450
   75       96.508
   76       96.971
   77       97.185
   78       97.208
   79       97.532
   80       97.600
   81       97.697
   82       98.840
   83       99.022
   84       99.682
   85       99.893
Conformational isomers are listed in the same line:
1 2 
7 9 
17 18 
21 23 
19 22 
32 34 38 43 44 
33 35 
51 56 
54 55 58 
68 69 
70 75 
74 76 
81 83 
