TS  #    DG(kcal/mol)
    1      -33.793
    2      -31.113
    3      -14.281
    4       -2.828
    5       -2.707
    6        0.219
    7        0.686
    8        1.668
    9        1.884
   10        6.757
   11        9.912
   12       10.792
   13       17.316
   14       17.721
   15       17.862
   16       19.754
   17       21.794
   18       23.009
   19       24.084
   20       28.983
   21       32.948
   22       33.363
   23       33.767
   24       34.051
   25       34.703
   26       34.809
   27       35.020
   28       35.763
   29       37.909
   30       38.738
   31       39.267
   32       39.924
   33       40.448
   34       40.883
   35       41.358
   36       43.038
   37       43.903
   38       44.226
   39       44.902
   40       45.119
   41       45.890
   42       46.269
   43       47.119
   44       47.178
   45       48.033
   46       48.285
   47       48.980
   48       49.802
   49       50.155
   50       50.950
   51       51.001
   52       51.171
   53       51.287
   54       52.488
   55       53.318
   56       54.458
   57       55.602
   58       55.745
   59       55.771
   60       55.832
   61       56.697
   62       56.783
   63       58.850
   64       58.875
   65       59.678
   66       60.110
   67       60.714
   68       61.771
   69       61.774
   70       62.059
   71       62.288
   72       63.458
   73       63.662
   74       63.686
   75       64.286
   76       64.747
   77       64.850
   78       65.361
   79       65.748
   80       66.262
   81       66.281
   82       66.822
   83       67.113
   84       67.443
   85       67.990
   86       68.411
   87       68.786
   88       71.341
   89       72.882
   90       73.557
   91       73.645
   92       73.924
   93       74.317
   94       74.338
   95       75.421
   96       75.539
   97       75.621
   98       75.748
   99       77.433
  100       77.450
  101       78.345
  102       79.779
  103       81.462
  104       81.472
  105       81.663
  106       81.664
  107       82.107
  108       83.739
  109       83.891
  110       84.183
  111       85.641
  112       86.027
  113       86.427
  114       86.642
  115       86.999
  116       87.310
  117       87.420
  118       87.989
  119       88.050
  120       88.973
  121       88.978
  122       89.038
  123       89.094
  124       89.230
  125       89.608
  126       89.645
  127       89.886
  128       90.656
  129       90.901
  130       91.284
  131       91.303
  132       91.522
  133       92.129
  134       92.388
  135       92.469
  136       92.613
  137       92.627
  138       92.815
  139       93.937
  140       94.375
  141       94.612
  142       94.823
  143       94.848
  144       95.075
  145       95.468
  146       95.674
  147       95.716
  148       95.858
  149       96.540
  150       96.968
  151       97.240
  152       97.542
  153       97.591
  154       98.166
  155       98.215
  156       98.409
  157       98.702
  158       99.063
  159       99.775
Conformational isomers are listed in the same line:
1 2 
91 123 
4 5 
6 7 8 
109 127 135 153 
16 17 
22 23 
118 122 125 
43 44 
45 49 
46 47 
54 61 
59 60 
63 81 
66 69 
70 110 
74 83 
89 95 97 98 
93 136 
112 121 
140 148 152 
144 147 
