TS  #    DG(kcal/mol)
    1       -9.462
    2       -6.743
    3       -6.284
    4       -5.034
    5       -4.171
    6       -2.928
    7       -2.652
    8        1.617
    9        7.271
   10        7.968
   11       12.750
   12       15.273
   13       17.887
   14       23.323
   15       23.355
   16       25.094
   17       30.788
   18       32.341
   19       33.842
   20       33.886
   21       34.023
   22       35.257
   23       36.980
   24       37.025
   25       37.996
   26       38.009
   27       39.241
   28       39.448
   29       40.254
   30       40.603
   31       41.593
   32       41.797
   33       42.148
   34       42.177
   35       42.379
   36       42.631
   37       42.716
   38       42.744
   39       42.828
   40       42.890
   41       42.903
   42       42.926
   43       43.575
   44       43.736
   45       44.052
   46       46.382
   47       46.666
   48       47.095
   49       47.379
   50       47.657
   51       47.712
   52       48.045
   53       48.173
   54       48.302
   55       48.366
   56       48.662
   57       49.241
   58       51.239
   59       51.263
   60       52.448
   61       53.798
   62       54.508
   63       54.946
   64       55.289
   65       55.749
   66       56.765
   67       57.394
   68       57.739
   69       58.227
   70       59.765
   71       60.481
   72       68.204
   73       69.173
   74       70.121
   75       72.528
   76       74.562
   77       74.883
   78       75.847
   79       76.064
   80       76.646
   81       77.513
   82       77.563
   83       77.675
   84       77.718
   85       99.264
   86      130.983
Conformational isomers are listed in the same line:
2 3 4 5 6 
27 30 
9 10 
18 25 
31 32 48 
20 21 28 
23 33 35 
34 36 37 39 40 41 42 43 44 45 47 49 51 52 53 55 
46 50 
76 77 79 80 81 83 
