COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.037  -3.043   2.581  1.00  0.00           C  
HETATM    2  C   UNL     1       4.206  -0.057  -1.218  1.00  0.00           C  
HETATM    3  C   UNL     1       3.442  -1.378  -1.333  1.00  0.00           C  
HETATM    4  C   UNL     1       1.637  -3.225  -0.153  1.00  0.00           C  
HETATM    5  C   UNL     1       0.847  -3.652   1.087  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.243  -2.617   1.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408  -2.059  -0.982  1.00  0.00           C  
HETATM    8  C   UNL     1       0.677  -3.078  -1.336  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.276  -1.631   0.502  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.581  -0.970  -1.068  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.777   3.116   1.188  1.00  0.00           C  
HETATM   12  C   UNL     1       4.956   0.246  -2.534  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.481   2.651   1.425  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.716  -0.091  -0.779  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.965  -0.197  -1.616  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.158  -1.646  -2.068  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.839   0.709  -2.842  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.944   1.303   0.032  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.652   1.557   0.539  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.363  -1.839  -0.554  1.00  0.00           C  
HETATM   21  C   UNL     1       6.282   0.889  -2.071  1.00  0.00           C  
HETATM   22  C   UNL     1       6.176   0.899  -0.530  1.00  0.00           C  
HETATM   23  C   UNL     1       7.940  -0.595   0.482  1.00  0.00           C  
HETATM   24  C   UNL     1       9.525   0.821   0.913  1.00  0.00           C  
HETATM   25  C   UNL     1      10.684   1.526   1.281  1.00  0.00           C  
HETATM   26  C   UNL     1       9.708   3.468   0.506  1.00  0.00           C  
HETATM   27  C   UNL     1       8.470   1.540   0.328  1.00  0.00           C  
HETATM   28  N   UNL     1       7.483   0.622   0.073  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.561   3.406   1.724  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.627   0.768   0.197  1.00  0.00           N  
HETATM   31  N   UNL     1      -9.120   0.224  -0.806  1.00  0.00           N  
HETATM   32  N   UNL     1       9.139  -0.476   0.975  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.499  -0.959  -0.265  1.00  0.00           N  
HETATM   34  N   UNL     1      11.757   0.871   1.860  1.00  0.00           N  
HETATM   35  N   UNL     1      10.727   2.835   1.059  1.00  0.00           N  
HETATM   36  N   UNL     1       8.604   2.850   0.145  1.00  0.00           N  
HETATM   37  N   UNL     1      -1.137  -2.513   0.212  1.00  0.00           N  
HETATM   38  N   UNL     1      -9.956   2.094   0.370  1.00  0.00           N  
HETATM   39  N   UNL     1     -10.847   3.902   1.508  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.016  -3.739   2.446  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.653  -2.655   3.807  1.00  0.00           O  
HETATM   42  O   UNL     1       5.242  -0.158  -0.218  1.00  0.00           O  
HETATM   43  O   UNL     1       4.208   1.162  -3.337  1.00  0.00           O  
HETATM   44  O   UNL     1       6.394   2.223  -2.573  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.616  -1.711  -2.033  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.390   2.904   1.904  1.00  0.00           O  
HETATM   47  S   UNL     1       2.454  -1.637   0.167  1.00  0.00           S  
HETATM   48  H   UNL     1       3.521   0.756  -0.976  1.00  0.00           H  
HETATM   49  H   UNL     1       2.783  -1.343  -2.200  1.00  0.00           H  
HETATM   50  H   UNL     1       4.151  -2.198  -1.447  1.00  0.00           H  
HETATM   51  H   UNL     1       2.388  -3.981  -0.384  1.00  0.00           H  
HETATM   52  H   UNL     1       0.388  -4.625   0.909  1.00  0.00           H  
HETATM   53  H   UNL     1       1.519  -3.718   1.943  1.00  0.00           H  
HETATM   54  H   UNL     1       0.217  -1.648   1.564  1.00  0.00           H  
HETATM   55  H   UNL     1       0.053  -1.092  -0.779  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.102  -1.962  -1.817  1.00  0.00           H  
HETATM   57  H   UNL     1       1.227  -2.734  -2.212  1.00  0.00           H  
HETATM   58  H   UNL     1       0.215  -4.041  -1.551  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.945  -0.593   0.484  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.677  -1.867   1.488  1.00  0.00           H  
HETATM   61  H   UNL     1       5.147  -0.674  -3.086  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.077  -2.309  -1.206  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.143  -1.758  -2.520  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.391  -1.904  -2.798  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.978   0.400  -3.435  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.743   0.631  -3.446  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.706   1.741  -2.519  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.963  -1.602  -1.540  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.694  -2.877  -0.535  1.00  0.00           H  
HETATM   70  H   UNL     1       7.131   0.288  -2.394  1.00  0.00           H  
HETATM   71  H   UNL     1       5.794   1.858  -0.181  1.00  0.00           H  
HETATM   72  H   UNL     1       7.388  -1.520   0.413  1.00  0.00           H  
HETATM   73  H   UNL     1       9.784   4.533   0.343  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.469   4.161   2.326  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.970  -0.240  -0.860  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.471  -0.369   0.504  1.00  0.00           H  
HETATM   77  H   UNL     1      12.552   1.368   2.109  1.00  0.00           H  
HETATM   78  H   UNL     1      11.714  -0.086   2.017  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.733   4.654   2.110  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.721   3.709   1.134  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.193  -2.954   4.551  1.00  0.00           H  
HETATM   82  H   UNL     1       4.634   1.388  -4.176  1.00  0.00           H  
HETATM   83  H   UNL     1       6.404   2.280  -3.538  1.00  0.00           H  
CONECT    1   40   40   41    6                                       
CONECT    2   42    3   12   48                                       
CONECT    3   47    2   49   50                                       
CONECT    4    5    8   47   51                                       
CONECT    5    6    4   52   53                                       
CONECT    6    1   37    5   54                                       
CONECT    7   37    8   55   56                                       
CONECT    8    7    4   57   58                                       
CONECT    9   20   37   59   60                                       
CONECT   10   14   33   45   45                                       
CONECT   11   39   29   38   38                                       
CONECT   12    2   21   43   61                                       
CONECT   13   29   46   46   19                                       
CONECT   14   30   30   15   10                                       
CONECT   15   31   17   14   16                                       
CONECT   16   15   62   63   64                                       
CONECT   17   15   65   66   67                                       
CONECT   18   38   19   19   31                                       
CONECT   19   13   18   18   30                                       
CONECT   20    9   33   68   69                                       
CONECT   21   22   12   44   70                                       
CONECT   22   28   42   21   71                                       
CONECT   23   32   32   28   72                                       
CONECT   24   25   32   27   27                                       
CONECT   25   34   35   35   24                                       
CONECT   26   35   36   36   73                                       
CONECT   27   24   24   36   28                                       
CONECT   28   23   27   22                                            
CONECT   29   11   13   74                                            
CONECT   30   19   14   14                                            
CONECT   31   18   15   75                                            
CONECT   32   24   23   23                                            
CONECT   33   10   20   76                                            
CONECT   34   25   77   78                                            
CONECT   35   25   25   26                                            
CONECT   36   26   26   27                                            
CONECT   37    9    6    7                                            
CONECT   38   11   11   18                                            
CONECT   39   11   79   80                                            
CONECT   40    1    1                                                 
CONECT   41    1   81                                                 
CONECT   42   22    2                                                 
CONECT   43   12   82                                                 
CONECT   44   21   83                                                 
CONECT   45   10   10                                                 
CONECT   46   13   13                                                 
CONECT   47    4    3                                                 
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   12                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   31                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
