COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.462  -5.672  -0.199  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.708  -4.830   0.089  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.903  -5.754   0.334  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.259  -4.742  -0.383  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.099  -3.878   0.872  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.398  -3.106   1.119  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.648  -2.230   0.018  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.752   2.453  -1.943  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.403  -1.066   0.361  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.638   0.185  -0.074  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.447   1.431   0.294  1.00  0.00           C  
HETATM   12  C   UNL     1       0.656   0.876  -0.157  1.00  0.00           C  
HETATM   13  C   UNL     1       1.969   0.913   0.656  1.00  0.00           C  
HETATM   14  C   UNL     1       3.072   0.695  -0.404  1.00  0.00           C  
HETATM   15  C   UNL     1       2.295   0.553  -1.732  1.00  0.00           C  
HETATM   16  C   UNL     1       2.961  -0.490  -2.631  1.00  0.00           C  
HETATM   17  C   UNL     1       5.083   1.718   0.406  1.00  0.00           C  
HETATM   18  C   UNL     1       5.809   3.065   0.461  1.00  0.00           C  
HETATM   19  C   UNL     1       7.058   2.927   1.337  1.00  0.00           C  
HETATM   20  C   UNL     1       7.943   1.811   0.774  1.00  0.00           C  
HETATM   21  C   UNL     1       7.134   0.513   0.707  1.00  0.00           C  
HETATM   22  C   UNL     1       7.993  -0.592   0.090  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.168   3.974   0.708  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.532   3.033  -0.901  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.880   5.255   1.148  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.329   4.260  -0.539  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.801   1.388  -0.418  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.566   0.137   0.016  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.757  -1.109  -0.351  1.00  0.00           C  
HETATM   30  F   UNL     1      -1.225  -6.538   0.874  1.00  0.00           F  
HETATM   31  N   UNL     1       7.217  -1.838   0.026  1.00  0.00           N  
HETATM   32  N   UNL     1       1.006  -2.930   0.678  1.00  0.00           N  
HETATM   33  N   UNL     1       6.204   3.465  -0.896  1.00  0.00           N  
HETATM   34  N   UNL     1      -8.686   4.980   2.345  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.126  -4.950   0.461  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.575   2.581  -0.067  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.492  -2.311   0.066  1.00  0.00           N  
HETATM   38  O   UNL     1      -0.374   0.226   0.591  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.732   2.600  -0.112  1.00  0.00           O  
HETATM   40  O   UNL     1       2.129   2.182   1.292  1.00  0.00           O  
HETATM   41  O   UNL     1       0.975   0.114  -1.341  1.00  0.00           O  
HETATM   42  O   UNL     1       2.298  -0.522  -3.896  1.00  0.00           O  
HETATM   43  O   UNL     1       3.947   1.824  -0.455  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.192   4.605  -1.625  1.00  0.00           O  
HETATM   45  O   UNL     1       5.971   0.719  -0.097  1.00  0.00           O  
HETATM   46  O   UNL     1       0.922  -5.522  -0.579  1.00  0.00           O  
HETATM   47  O   UNL     1       8.385   2.168  -0.537  1.00  0.00           O  
HETATM   48  O   UNL     1       6.670   2.601   2.674  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.481  -4.028   1.250  1.00  0.00           O  
HETATM   50  H   UNL     1      -1.616  -6.253  -1.108  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.916  -4.185  -0.764  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.007  -6.443  -0.505  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.743  -6.321   1.251  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.422  -4.102  -1.250  1.00  0.00           H  
HETATM   55  H   UNL     1       0.115  -4.516   1.729  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.305  -2.522   2.034  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.560  -1.040   1.439  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.481   0.159  -1.152  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.604   1.457   1.372  1.00  0.00           H  
HETATM   60  H   UNL     1       0.348   1.887  -0.427  1.00  0.00           H  
HETATM   61  H   UNL     1       1.984   0.112   1.395  1.00  0.00           H  
HETATM   62  H   UNL     1       3.634  -0.213  -0.190  1.00  0.00           H  
HETATM   63  H   UNL     1       2.239   1.514  -2.243  1.00  0.00           H  
HETATM   64  H   UNL     1       4.009  -0.227  -2.776  1.00  0.00           H  
HETATM   65  H   UNL     1       2.895  -1.471  -2.160  1.00  0.00           H  
HETATM   66  H   UNL     1       4.755   1.441   1.408  1.00  0.00           H  
HETATM   67  H   UNL     1       5.147   3.819   0.886  1.00  0.00           H  
HETATM   68  H   UNL     1       7.610   3.866   1.335  1.00  0.00           H  
HETATM   69  H   UNL     1       8.807   1.669   1.423  1.00  0.00           H  
HETATM   70  H   UNL     1       6.833   0.220   1.713  1.00  0.00           H  
HETATM   71  H   UNL     1       8.294  -0.300  -0.916  1.00  0.00           H  
HETATM   72  H   UNL     1       8.880  -0.749   0.703  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.518   3.626   1.510  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.907   3.207   0.480  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.140   6.022   1.376  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.530   5.603   0.345  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.649   5.089  -0.338  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.644   1.362  -1.497  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.723   0.163   1.095  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.530   0.106  -0.491  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.600  -1.135  -1.429  1.00  0.00           H  
HETATM   82  H   UNL     1       6.356  -1.702  -0.484  1.00  0.00           H  
HETATM   83  H   UNL     1       7.762  -2.584  -0.379  1.00  0.00           H  
HETATM   84  H   UNL     1       1.874  -3.417   0.508  1.00  0.00           H  
HETATM   85  H   UNL     1       0.802  -2.284  -0.070  1.00  0.00           H  
HETATM   86  H   UNL     1       5.397   3.557  -1.495  1.00  0.00           H  
HETATM   87  H   UNL     1       6.741   4.319  -0.879  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.166   5.811   2.656  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.336   4.227   2.179  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.352  -4.496  -0.410  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.897  -5.514   0.786  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.400   3.045   0.767  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.376  -2.379  -0.414  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.938  -3.141  -0.077  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.187   3.429   0.089  1.00  0.00           H  
HETATM   96  H   UNL     1       1.430   2.396   1.924  1.00  0.00           H  
HETATM   97  H   UNL     1       2.668  -1.163  -4.518  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.825   3.912  -1.860  1.00  0.00           H  
HETATM   99  H   UNL     1       0.888  -6.100  -1.354  1.00  0.00           H  
HETATM  100  H   UNL     1       8.901   2.985  -0.570  1.00  0.00           H  
HETATM  101  H   UNL     1       7.413   2.498   3.285  1.00  0.00           H  
CONECT    1    2   30    4   50                                       
CONECT    2    3    1   49   51                                       
CONECT    3   35    2   52   53                                       
CONECT    4    1   46    5   54                                       
CONECT    5    4    6   32   55                                       
CONECT    6   49    7    5   56                                       
CONECT    7    9    6                                                 
CONECT    8   24   24                                                 
CONECT    9   29    7   10   57                                       
CONECT   10    9   11   38   58                                       
CONECT   11   27   10   39   59                                       
CONECT   12   38   41   13   60                                       
CONECT   13   12   40   14   61                                       
CONECT   14   13   15   43   62                                       
CONECT   15   41   16   14   63                                       
CONECT   16   42   15   64   65                                       
CONECT   17   43   45   18   66                                       
CONECT   18   17   33   19   67                                       
CONECT   19   18   20   48   68                                       
CONECT   20   21   47   19   69                                       
CONECT   21   45   22   20   70                                       
CONECT   22   31   21   71   72                                       
CONECT   23   26   25   73   74                                       
CONECT   24    8    8   26   36                                       
CONECT   25   23   34   75   76                                       
CONECT   26   44   24   23   77                                       
CONECT   27   28   36   11   78                                       
CONECT   28   29   27   79   80                                       
CONECT   29   37   28    9   81                                       
CONECT   30    1                                                      
CONECT   31   22   82   83                                            
CONECT   32    5   84   85                                            
CONECT   33   18   86   87                                            
CONECT   34   25   88   89                                            
CONECT   35    3   90   91                                            
CONECT   36   24   27   92                                            
CONECT   37   29   93   94                                            
CONECT   38   10   12                                                 
CONECT   39   11   95                                                 
CONECT   40   13   96                                                 
CONECT   41   12   15                                                 
CONECT   42   16   97                                                 
CONECT   43   14   17                                                 
CONECT   44   26   98                                                 
CONECT   45   17   21                                                 
CONECT   46    4   99                                                 
CONECT   47   20  100                                                 
CONECT   48   19  101                                                 
CONECT   49    2    6                                                 
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   42                                                      
CONECT   98   44                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   48                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
