MIN #    DG(kcal/mol)
    1       -7.351
    2        0.000
    3        0.558
    4        1.267
    5        2.269
    6        4.390
    7        6.327
    8        7.773
    9        8.298
   10        8.485
   11        8.598
   12       10.563
   13       10.909
   14       11.083
   15       11.549
   16       11.720
   17       11.938
   18       12.470
   19       12.515
   20       12.808
   21       13.174
   22       13.252
   23       13.569
   24       13.591
   25       13.604
   26       15.186
   27       16.210
   28       16.895
   29       18.386
   30       18.742
   31       19.238
   32       20.058
   33       20.105
   34       20.447
   35       20.605
   36       21.173
   37       21.334
   38       23.152
   39       23.685
   40       23.707
   41       24.130
   42       24.172
   43       24.517
   44       24.567
   45       25.007
   46       25.262
   47       25.270
   48       25.394
   49       25.474
   50       25.575
   51       25.722
   52       26.636
   53       26.807
   54       26.947
   55       28.423
   56       28.512
   57       28.539
   58       28.707
   59       28.708
   60       28.799
   61       29.106
   62       29.208
   63       29.432
   64       30.258
   65       31.101
   66       31.234
   67       31.261
   68       31.359
   69       31.596
   70       32.006
   71       32.465
   72       32.646
   73       32.843
   74       33.047
   75       33.063
   76       33.183
   77       33.274
   78       33.940
   79       34.452
   80       34.933
   81       34.954
   82       34.999
   83       35.379
   84       35.420
   85       35.794
   86       36.067
   87       36.274
   88       36.998
   89       37.460
   90       37.568
   91       37.874
   92       38.127
   93       38.194
   94       38.330
   95       38.413
   96       39.031
   97       39.251
   98       39.607
   99       40.178
  100       40.181
  101       40.538
  102       40.955
  103       41.571
  104       41.758
  105       42.408
  106       42.772
  107       43.270
  108       43.492
  109       43.871
  110       43.947
  111       43.962
  112       44.110
  113       44.283
  114       44.344
  115       44.399
  116       44.430
  117       44.542
  118       44.584
  119       44.632
  120       44.940
  121       44.987
  122       45.086
  123       45.106
  124       46.335
  125       46.532
  126       46.779
  127       46.806
  128       46.820
  129       47.666
  130       48.505
  131       48.590
  132       48.678
  133       53.047
  134       53.882
  135       54.280
  136       54.340
  137       54.481
  138       54.580
  139       56.114
  140       56.344
  141       56.637
  142       56.737
  143       57.118
  144       57.152
  145       57.225
  146       57.284
  147       57.459
  148       57.523
  149       58.210
  150       58.556
  151       58.942
  152       59.063
  153       60.727
  154       60.873
  155       60.881
  156       61.100
  157       61.306
  158       61.411
  159       61.456
  160       61.513
  161       61.862
  162       61.863
  163       62.102
  164       62.342
  165       62.733
  166       62.832
  167       62.943
  168       63.596
  169       64.692
  170       64.695
  171       65.010
  172       65.017
  173       65.747
  174       66.524
  175       66.646
  176       66.800
  177       67.393
  178       67.430
  179       67.955
  180       68.015
  181       68.339
  182       68.477
  183       68.600
  184       68.886
  185       69.529
  186       69.544
  187       69.592
  188       70.100
  189       71.195
  190       71.422
  191       71.806
  192       72.236
  193       72.333
  194       72.829
  195       72.997
  196       73.123
  197       73.399
  198       73.533
  199       74.586
  200       74.700
  201       76.530
  202       76.720
  203       77.033
  204       78.967
  205       79.201
  206       79.607
  207       79.668
  208       79.897
  209       80.429
  210       81.655
  211       82.705
  212       84.765
  213       84.987
  214       85.142
  215       85.751
  216       86.192
  217       86.669
  218       86.783
  219       86.996
  220       87.175
  221       87.802
  222       88.426
  223       88.514
  224       89.249
  225       92.372
  226       92.778
  227       95.540
  228       95.698
  229       95.828
  230       96.278
  231       96.815
  232       97.086
  233      100.494
  234      100.513
  235      100.970
  236      103.871
  237      104.036
  238      104.681
  239      107.502
  240      108.215
  241      114.705
  242      114.714
  243      120.293
  244      126.104
  245      127.686
  246      129.531
Conformational isomers are listed in the same line:
2 3 4 5 
10 11 
12 14 26 
13 17 
15 18 20 21 24 25 
19 22 
31 34 
32 33 36 
39 40 45 48 
44 46 
49 50 52 54 
55 59 61 62 
56 60 64 
65 71 74 75 
66 72 
67 70 
68 69 
76 78 
81 83 85 
82 87 
89 103 105 
91 93 
92 97 
106 109 113 114 115 119 120 122 127 
107 154 167 
108 110 112 117 
111 121 
124 125 
128 129 
134 136 
138 143 
144 146 
148 155 
152 160 
162 171 
174 177 
181 187 
185 186 
192 199 
213 214 
218 219 
