TS  #    DG(kcal/mol)
    1        3.801
    2        7.546
    3       27.656
    4       28.500
    5       29.290
    6       30.656
    7       30.714
    8       31.931
    9       31.990
   10       32.092
   11       32.195
   12       34.001
   13       36.636
   14       38.103
   15       39.520
   16       39.532
   17       39.541
   18       39.725
   19       41.075
   20       43.010
   21       43.141
   22       44.712
   23       47.562
   24       49.236
   25       51.883
   26       51.978
   27       54.083
   28       55.892
   29       56.145
   30       56.503
   31       58.454
   32       59.506
   33       61.926
   34       69.609
   35       72.098
   36       74.496
   37       76.353
   38       82.733
Conformational isomers are listed in the same line:
1 2 
15 17 
8 9 
10 11 
13 14 
19 20 
