TS  #    DG(kcal/mol)
    1      -32.415
    2      -32.189
    3       -6.132
    4       -4.868
    5       -1.725
    6       -0.455
    7        0.271
    8        0.517
    9        1.845
   10        2.275
   11        2.476
   12        2.869
   13        3.018
   14        3.078
   15        3.188
   16        4.035
   17        4.081
   18        4.545
   19        5.800
   20        6.199
   21        6.654
   22        6.922
   23        7.157
   24        7.192
   25        7.742
   26        8.778
   27        9.240
   28        9.339
   29        9.825
   30        9.830
   31       10.682
   32       10.982
   33       11.894
   34       12.192
   35       12.401
   36       13.053
   37       13.180
   38       13.239
   39       13.260
   40       13.335
   41       13.428
   42       13.630
   43       13.665
   44       13.729
   45       13.735
   46       13.961
   47       14.002
   48       14.315
   49       14.387
   50       14.514
   51       14.541
   52       14.644
   53       15.215
   54       15.329
   55       15.419
   56       15.628
   57       15.848
   58       16.009
   59       16.837
   60       16.993
   61       17.057
   62       17.092
   63       18.042
   64       18.490
   65       18.516
   66       18.601
   67       20.199
   68       20.573
   69       20.913
   70       21.537
   71       21.633
   72       22.243
   73       22.697
   74       23.103
   75       23.475
   76       23.785
   77       23.844
   78       24.024
   79       24.173
   80       24.261
   81       24.759
   82       25.015
   83       25.448
   84       27.669
   85       27.715
   86       31.115
   87       31.316
   88       32.713
   89       33.830
   90       34.543
   91       34.587
   92       34.738
   93       35.711
   94       36.134
   95       36.352
   96       36.488
   97       36.703
   98       36.771
   99       38.089
  100       38.125
  101       39.286
  102       39.688
  103       39.811
  104       40.098
  105       40.178
  106       40.444
  107       40.789
  108       41.110
  109       41.309
  110       41.588
  111       42.247
  112       42.443
  113       42.487
  114       42.499
  115       42.850
  116       44.081
  117       44.750
  118       44.972
  119       46.883
  120       47.073
  121       47.328
  122       48.147
  123       48.283
  124       48.892
  125       48.940
  126       49.209
  127       49.728
  128       49.900
  129       50.106
  130       50.180
  131       50.349
  132       50.513
  133       50.635
  134       50.714
  135       51.126
  136       51.246
  137       51.665
  138       51.742
  139       51.945
  140       51.998
  141       52.768
  142       53.352
  143       54.324
  144       54.495
  145       54.514
  146       54.622
  147       55.512
  148       55.542
  149       55.654
  150       55.845
  151       56.164
  152       56.221
  153       56.395
  154       56.451
  155       56.501
  156       56.792
  157       57.098
  158       57.242
  159       57.301
  160       57.349
  161       57.442
  162       57.485
  163       57.798
  164       58.051
  165       58.150
  166       58.246
  167       58.953
  168       59.123
  169       59.343
  170       59.389
  171       59.981
  172       60.215
  173       60.464
  174       60.526
  175       61.035
  176       61.178
  177       61.241
  178       61.320
  179       61.653
  180       61.741
  181       61.743
  182       61.782
  183       61.888
  184       62.309
  185       62.545
  186       62.572
  187       62.603
  188       62.913
  189       62.970
  190       63.135
  191       63.320
  192       63.344
  193       63.347
  194       63.390
  195       63.461
  196       63.619
  197       64.109
  198       64.286
  199       64.470
  200       65.011
  201       65.076
  202       65.204
  203       65.256
  204       65.332
  205       65.343
  206       65.789
  207       65.929
  208       66.380
  209       66.391
  210       66.402
  211       66.609
  212       66.730
  213       67.234
  214       67.494
  215       67.887
  216       67.984
  217       68.381
  218       68.516
  219       68.549
  220       68.956
  221       68.980
  222       68.994
  223       69.042
  224       69.296
  225       69.326
  226       69.469
  227       69.562
  228       69.745
  229       69.795
  230       69.885
  231       70.074
  232       70.221
  233       70.523
  234       70.607
  235       70.830
  236       71.057
  237       71.073
  238       71.076
  239       71.105
  240       71.136
  241       71.574
  242       71.711
  243       71.868
  244       72.049
  245       72.371
  246       72.509
  247       72.531
  248       72.603
  249       72.943
  250       74.217
  251       75.075
  252       75.330
  253       75.416
  254       76.132
  255       76.723
  256       77.661
  257       77.918
  258       78.069
  259       78.089
  260       78.704
  261       78.979
  262       79.222
  263       79.250
  264       79.379
  265       80.019
  266       80.207
  267       80.227
  268       80.256
  269       81.122
  270       81.416
  271       81.679
  272       82.133
  273       82.300
  274       82.354
  275       82.369
  276       82.503
  277       82.887
  278       83.119
  279       83.355
  280       84.370
  281       84.861
  282       85.404
  283       85.452
  284       85.702
  285       85.731
  286       85.798
  287       86.232
  288       86.298
  289       86.445
  290       86.450
  291       86.454
  292       86.512
  293       86.804
  294       86.863
  295       87.309
  296       87.407
  297       87.465
  298       87.830
  299       87.949
  300       88.095
  301       88.611
  302       88.693
  303       88.927
  304       89.667
  305       90.956
  306       90.989
  307       91.316
  308       91.660
  309       91.666
  310       91.688
  311       93.154
  312       94.978
  313       95.020
  314       97.002
  315       98.426
  316       98.582
  317      100.004
  318      100.202
  319      100.659
  320      100.700
  321      102.141
  322      104.696
  323      104.697
  324      105.378
  325      105.524
  326      106.902
  327      107.159
  328      107.414
  329      107.722
  330      109.591
  331      110.593
  332      111.903
  333      113.997
  334      114.611
  335      115.670
  336      119.069
  337      119.666
  338      119.755
  339      121.806
  340      123.170
  341      126.004
  342      126.267
  343      126.726
  344      126.808
  345      128.257
  346      128.507
  347      130.816
  348      136.707
  349      138.309
  350      139.630
Conformational isomers are listed in the same line:
1 2 
6 115 
10 11 12 13 14 
15 25 
19 20 
21 24 34 35 56 
26 31 32 
30 39 42 70 
54 60 61 
29 50 
36 43 49 
37 38 41 45 46 
47 62 
59 65 
73 203 
197 198 
202 205 
125 130 
129 163 
214 215 216 221 222 223 224 225 228 229 230 
151 155 156 
160 162 168 
176 183 
181 188 
182 187 191 
190 194 196 
243 255 
274 276 
282 294 300 311 
292 293 306 
328 334 
