TS  #    DG(kcal/mol)
    1       10.952
    2       11.276
    3       12.654
    4       23.264
    5       32.289
    6       37.535
    7       43.173
    8       44.947
    9       45.960
   10       48.702
   11       48.874
   12       49.287
   13       49.929
   14       50.049
   15       50.909
   16       50.984
   17       51.448
   18       52.173
   19       54.038
   20       54.063
   21       55.659
   22       56.988
   23       61.251
   24       61.593
   25       62.061
   26       62.294
   27       65.754
   28       66.533
   29       73.668
   30       82.640
   31       87.632
   32       91.879
   33       91.899
Conformational isomers are listed in the same line:
1 2 3 
9 14 15 19 20 
7 8 
11 12 
13 18 
21 22 
17 24 
