MIN #    DG(kcal/mol)
    1      -29.681
    2      -23.495
    3      -23.423
    4      -22.562
    5      -18.907
    6      -18.763
    7      -18.433
    8      -11.017
    9      -10.444
   10      -10.386
   11       -9.189
   12       -9.004
   13       -7.323
   14       -7.215
   15       -6.230
   16       -6.213
   17       -6.034
   18       -5.805
   19       -5.686
   20       -5.102
   21       -4.683
   22       -4.533
   23       -4.421
   24       -4.298
   25       -4.298
   26       -3.934
   27       -3.416
   28       -2.775
   29       -2.733
   30       -2.270
   31       -2.229
   32       -2.065
   33       -1.373
   34       -0.287
   35       -0.224
   36       -0.166
   37       -0.156
   38       -0.153
   39       -0.021
   40        0.000
   41        0.006
   42        0.063
   43        0.406
   44        0.426
   45        0.654
   46        0.918
   47        1.059
   48        1.228
   49        1.242
   50        1.506
   51        1.723
   52        1.810
   53        2.204
   54        2.433
   55        2.443
   56        2.491
   57        3.026
   58        3.131
   59        3.730
   60        3.746
   61        4.225
   62        5.148
   63        6.709
   64        7.489
   65        8.024
   66        8.038
   67        8.983
   68        9.368
   69       10.672
   70       10.782
   71       12.559
   72       13.202
   73       13.280
   74       13.355
   75       13.528
   76       14.160
   77       14.617
   78       15.519
   79       15.561
   80       15.732
   81       15.758
   82       15.773
   83       16.013
   84       17.438
   85       17.506
   86       17.634
   87       19.740
   88       22.903
   89       22.919
   90       23.815
   91       24.258
   92       29.496
   93       30.734
   94       32.042
   95       33.322
   96       33.614
   97       33.867
   98       34.986
   99       37.444
  100       38.250
  101       38.333
  102       38.400
  103       39.144
  104       39.376
  105       39.614
  106       40.538
  107       41.333
  108       41.902
  109       44.039
  110       44.059
  111       45.888
  112       45.995
  113       46.896
  114       47.770
  115       48.213
  116       48.355
  117       49.813
  118       49.893
  119       50.174
  120       50.254
  121       50.298
  122       50.485
  123       50.571
  124       50.686
  125       50.946
  126       51.171
  127       51.462
  128       51.683
  129       51.809
  130       52.342
  131       52.414
  132       52.645
  133       53.607
  134       53.708
  135       55.501
  136       58.578
  137       58.668
  138       59.649
  139       60.850
  140       62.264
  141       63.609
  142       63.836
  143       64.162
  144       64.249
  145       66.462
  146       66.476
  147       66.655
  148       70.473
  149       71.428
  150       71.730
  151       72.963
  152       73.097
  153       73.438
  154       73.488
  155       75.843
  156       76.158
  157       76.217
  158       78.400
  159       81.109
  160       81.248
  161       82.008
  162       84.812
  163       85.206
  164       85.279
  165       85.550
  166       85.760
  167       86.291
  168       86.312
  169       86.620
  170       86.658
  171       88.223
  172       88.903
  173       90.547
  174       91.423
  175       92.425
  176       93.502
  177       94.193
  178       95.638
  179       95.842
  180       96.385
  181       96.546
  182       97.944
Conformational isomers are listed in the same line:
1 7 
2 3 5 6 11 12 
8 9 13 14 21 24 33 
10 45 
15 16 17 50 
18 28 29 31 37 38 41 42 
22 26 34 48 51 52 
23 27 
35 36 40 47 49 54 55 56 59 60 
43 57 66 
53 61 80 
67 75 
68 71 85 
69 70 
73 74 
76 81 82 
78 84 
88 89 
94 98 
95 97 
96 101 102 
104 106 
107 112 
113 114 
117 118 
119 124 125 130 133 
123 126 129 
127 131 
135 138 
136 137 
145 159 160 164 165 
146 161 
149 151 152 
155 157 
156 163 
167 168 
169 170 
171 172 
173 181 
