TS  #    DG(kcal/mol)
    1        9.934
    2       11.281
    3       11.907
    4       12.148
    5       14.674
    6       14.720
    7       15.547
    8       24.877
    9       30.954
   10       31.874
   11       35.846
   12       37.570
   13       53.218
   14       55.811
   15       55.841
   16       58.536
   17       59.714
   18       61.085
   19       61.469
   20       62.007
   21       63.841
   22       65.535
   23       65.675
   24       68.361
   25       68.894
   26       69.994
   27       71.090
   28       71.817
   29       71.986
   30       72.561
   31       73.943
   32       76.025
   33       76.530
   34       77.043
   35       82.494
   36       84.783
   37       86.770
   38       87.898
   39       92.518
   40       95.778
   41       96.757
   42       96.803
   43       97.044
   44       97.485
   45       97.673
   46       98.034
   47       98.274
   48       99.151
   49       99.317
   50       99.366
   51       99.822
Conformational isomers are listed in the same line:
2 4 6 7 
15 17 31 
11 12 
18 19 
26 33 
21 23 30 
32 34 
40 41 43 45 46 47 48 49 50 51 
