TS  #    DE(kcal/mol)
    1      -37.042
    2      -29.893
    3      -24.405
    4      -23.611
    5      -19.406
    6      -15.983
    7      -13.663
    8      -12.790
    9      -10.128
   10       -7.219
   11       -6.502
   12       -5.905
   13       -0.013
   14        0.093
   15        0.103
   16        2.056
   17        2.086
   18        3.416
   19        3.611
   20        4.561
   21        4.598
   22        4.676
   23        4.686
   24        5.764
   25        8.501
   26        8.953
   27        9.380
   28       13.479
   29       17.992
   30       19.507
   31       21.100
   32       23.375
   33       24.790
   34       27.204
   35       29.916
   36       30.120
   37       30.340
   38       31.410
   39       33.497
   40       33.999
   41       34.639
   42       35.594
   43       35.854
   44       36.021
   45       37.567
   46       37.795
   47       38.523
   48       39.295
   49       40.752
   50       41.131
   51       47.299
   52       47.853
   53       51.615
   54       51.810
   55       51.890
   56       52.600
   57       55.572
   58       57.528
   59       57.676
   60       68.041
   61       79.963
   62       80.316
   63       95.672
   64       96.002
   65       96.255
   66       97.373
   67       99.303
   68      101.508
   69      103.141
   70      103.640
   71      105.153
   72      109.302
   73      109.700
   74      120.175
   75      122.236
   76      168.708
Conformational isomers are listed in the same line:
5 6 
16 21 
18 19 
20 23 
40 41 
53 54 55 
68 70 
64 66 
