MIN #    DG(kcal/mol)
    1      -27.363
    2      -27.243
    3      -26.049
    4      -23.485
    5      -19.768
    6      -19.660
    7      -19.323
    8      -19.138
    9      -18.127
   10      -17.087
   11      -16.475
   12      -16.249
   13      -15.921
   14      -14.493
   15      -13.707
   16      -12.446
   17      -10.601
   18       -9.085
   19       -8.182
   20       -7.938
   21       -7.231
   22       -6.888
   23       -6.511
   24       -5.239
   25       -5.163
   26       -5.021
   27       -4.354
   28       -3.990
   29       -3.898
   30       -3.801
   31       -3.252
   32       -2.978
   33       -2.852
   34       -2.819
   35       -2.779
   36       -1.924
   37       -1.886
   38       -1.759
   39       -1.566
   40       -1.566
   41       -1.230
   42       -0.862
   43       -0.804
   44       -0.775
   45       -0.545
   46       -0.406
   47       -0.333
   48        0.000
   49        0.158
   50        0.495
   51        0.512
   52        0.893
   53        1.080
   54        1.918
   55        2.438
   56        3.382
   57        5.142
   58        5.333
   59        5.855
   60        6.249
   61        6.660
   62        7.029
   63        7.055
   64        7.290
   65        7.516
   66        7.893
   67        7.989
   68        8.103
   69        8.241
   70        8.680
   71        8.799
   72       10.190
   73       10.491
   74       10.668
   75       10.693
   76       10.707
   77       10.909
   78       13.419
   79       13.724
   80       13.874
   81       14.342
   82       14.738
   83       15.464
   84       15.488
   85       15.658
   86       16.179
   87       16.432
   88       16.672
   89       16.725
   90       16.882
   91       17.058
   92       17.648
   93       18.774
   94       19.151
   95       19.185
   96       19.309
   97       19.517
   98       19.554
   99       20.185
  100       20.357
  101       21.387
  102       23.314
  103       25.039
  104       25.301
  105       25.957
  106       26.910
  107       27.962
  108       28.373
  109       28.572
  110       28.682
  111       29.196
  112       29.407
  113       29.453
  114       29.470
  115       29.973
  116       30.175
  117       30.746
  118       31.026
  119       31.077
  120       31.188
  121       31.672
  122       31.745
  123       32.392
  124       32.470
  125       33.170
  126       33.309
  127       33.409
  128       34.499
  129       35.078
  130       35.305
  131       35.359
  132       35.632
  133       35.795
  134       35.859
  135       36.042
  136       36.264
  137       37.720
  138       37.865
  139       38.688
  140       38.713
  141       38.753
  142       38.870
  143       38.936
  144       38.984
  145       39.061
  146       39.160
  147       39.200
  148       39.441
  149       39.485
  150       39.886
  151       40.661
  152       40.703
  153       41.714
  154       41.833
  155       41.911
  156       42.278
  157       42.296
  158       42.474
  159       42.671
  160       42.694
  161       42.914
  162       43.211
  163       43.663
  164       44.302
  165       44.553
  166       44.691
  167       44.998
  168       45.038
  169       45.190
  170       45.346
  171       45.474
  172       46.392
  173       46.413
  174       46.418
  175       46.475
  176       46.560
  177       46.958
  178       47.584
  179       47.641
  180       48.144
  181       48.315
  182       48.800
  183       49.349
  184       50.245
  185       50.426
  186       50.708
  187       50.857
  188       51.017
  189       51.243
  190       52.527
  191       53.499
  192       53.672
  193       53.712
  194       53.789
  195       54.180
  196       54.200
  197       54.437
  198       54.618
  199       54.667
  200       54.672
  201       55.470
  202       55.639
  203       55.799
  204       55.903
  205       56.250
  206       56.573
  207       56.811
  208       56.825
  209       57.225
  210       57.335
  211       57.978
  212       58.153
  213       58.391
  214       58.783
  215       59.064
  216       59.417
  217       59.770
  218       60.215
  219       60.388
  220       60.971
  221       61.271
  222       61.696
  223       61.997
  224       62.420
  225       63.548
  226       63.650
  227       64.865
  228       64.978
  229       66.234
  230       67.434
  231       69.196
  232       70.867
  233       72.818
  234       73.150
  235       74.162
  236       74.220
  237       74.745
  238       75.427
  239       77.220
  240       78.476
  241       79.033
  242       79.094
  243       79.986
  244       80.527
  245       81.088
  246       82.984
  247       83.365
  248       83.505
  249       83.847
  250       84.223
  251       85.474
  252       86.142
  253       88.916
  254       91.741
  255       96.558
  256       99.764
  257      103.037
  258      105.441
  259      107.294
  260      108.468
  261      119.624
  262      120.721
  263      126.907
  264      143.389
Conformational isomers are listed in the same line:
1 2 3 
5 7 8 9 
6 13 
10 11 
22 25 26 
23 27 
28 30 32 33 34 35 38 
36 37 39 41 42 43 44 45 47 48 49 50 51 
46 52 54 55 
53 58 
59 60 
61 63 
62 71 
65 67 
68 69 72 
74 75 76 
79 80 82 
85 87 88 90 
89 92 
93 97 
98 100 
106 107 
108 110 
111 116 
113 124 
118 119 
122 127 
126 133 
138 139 140 142 143 144 146 147 148 149 
145 150 
151 152 154 158 160 
153 155 161 
164 165 166 168 171 
169 170 174 
172 177 183 
195 201 206 
196 213 
197 198 199 200 
204 211 
205 207 228 
226 227 229 
239 240 247 248 
