TS  #    DG(kcal/mol)
    1        3.394
    2        7.211
    3       13.114
    4       19.849
    5       24.298
    6       24.795
    7       25.442
    8       53.608
    9       53.953
   10       69.334
   11       69.696
   12       69.911
   13       71.431
   14       73.178
   15       75.900
   16       76.478
   17       77.160
   18       77.354
   19       77.692
   20       77.981
   21       78.592
   22       79.822
   23       90.471
   24       90.726
   25       92.257
   26       93.397
   27       94.140
   28       94.550
   29       95.905
   30       98.374
   31       99.179
Conformational isomers are listed in the same line:
1 2 3 
4 6 7 
10 12 16 
20 21 
17 18 19 
23 24 25 
28 29 
