COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.179   0.133  -1.461  1.00  0.00           C  
HETATM    2  C   UNL     1       6.867   0.345  -1.030  1.00  0.00           C  
HETATM    3  C   UNL     1       5.919  -0.678  -1.289  1.00  0.00           C  
HETATM    4  N   UNL     1       6.313  -1.773  -1.919  1.00  0.00           N  
HETATM    5  N   UNL     1       8.482  -1.009  -2.091  1.00  0.00           N  
HETATM    6  C   UNL     1       7.567  -1.926  -2.307  1.00  0.00           C  
HETATM    7  C   UNL     1       6.713   1.627  -0.368  1.00  0.00           C  
HETATM    8  C   UNL     1       7.815   2.347  -0.293  1.00  0.00           C  
HETATM    9  C   UNL     1       7.898   3.708   0.349  1.00  0.00           C  
HETATM   10  C   UNL     1       8.236   3.551   1.833  1.00  0.00           C  
HETATM   11  C   UNL     1       3.632  -1.596  -1.162  1.00  0.00           C  
HETATM   12  C   UNL     1       2.223  -1.001  -1.215  1.00  0.00           C  
HETATM   13  C   UNL     1       1.208  -2.124  -1.441  1.00  0.00           C  
HETATM   14  C   UNL     1       2.637  -3.721  -0.309  1.00  0.00           C  
HETATM   15  C   UNL     1       3.694  -2.645  -0.048  1.00  0.00           C  
HETATM   16  C   UNL     1       0.254  -4.121  -0.460  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.077  -3.509  -0.108  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.991  -3.223  -1.114  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.213  -2.663  -0.814  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.539  -2.381   0.509  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.611  -2.673   1.528  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.377  -3.247   1.198  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.377  -3.562   2.280  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.439  -1.783   2.473  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.207  -2.285   2.753  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.371  -1.284   3.438  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.858  -1.382   0.415  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.712   0.094   0.040  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.087   0.519   0.243  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.357   0.819  -0.561  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.946   2.236  -2.103  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.732   1.880  -1.238  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.071   3.074  -1.210  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.309   2.896  -0.370  1.00  0.00           C  
HETATM   35  F   UNL     1       7.238   2.799   2.462  1.00  0.00           F  
HETATM   36  F   UNL     1       9.466   2.897   1.965  1.00  0.00           F  
HETATM   37  F   UNL     1       8.314   4.814   2.430  1.00  0.00           F  
HETATM   38  F   UNL     1     -12.094   4.051  -0.445  1.00  0.00           F  
HETATM   39  N   UNL     1       4.602  -0.533  -0.888  1.00  0.00           N  
HETATM   40  N   UNL     1       1.306  -3.102  -0.350  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.649  -1.832   1.109  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.110  -0.887   4.205  1.00  0.00           N  
HETATM   43  N   UNL     1      -6.925   0.545  -0.655  1.00  0.00           N  
HETATM   44  N   UNL     1      -9.161   2.083  -1.288  1.00  0.00           N  
HETATM   45  O   UNL     1      -9.893   4.110  -1.816  1.00  0.00           O  
HETATM   46  S   UNL     1       9.173   1.517  -1.029  1.00  0.00           S  
HETATM   47  H   UNL     1       7.849  -2.834  -2.819  1.00  0.00           H  
HETATM   48  H   UNL     1       5.769   1.965   0.032  1.00  0.00           H  
HETATM   49  H   UNL     1       8.676   4.294  -0.140  1.00  0.00           H  
HETATM   50  H   UNL     1       6.940   4.218   0.247  1.00  0.00           H  
HETATM   51  H   UNL     1       3.866  -2.065  -2.118  1.00  0.00           H  
HETATM   52  H   UNL     1       2.004  -0.498  -0.273  1.00  0.00           H  
HETATM   53  H   UNL     1       2.160  -0.284  -2.033  1.00  0.00           H  
HETATM   54  H   UNL     1       0.202  -1.706  -1.465  1.00  0.00           H  
HETATM   55  H   UNL     1       1.419  -2.618  -2.390  1.00  0.00           H  
HETATM   56  H   UNL     1       2.841  -4.207  -1.263  1.00  0.00           H  
HETATM   57  H   UNL     1       2.668  -4.462   0.490  1.00  0.00           H  
HETATM   58  H   UNL     1       4.683  -3.103  -0.034  1.00  0.00           H  
HETATM   59  H   UNL     1       3.499  -2.168   0.912  1.00  0.00           H  
HETATM   60  H   UNL     1       0.470  -4.941   0.225  1.00  0.00           H  
HETATM   61  H   UNL     1       0.221  -4.500  -1.481  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.740  -3.441  -2.142  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.916  -2.444  -1.604  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.494  -4.600   2.592  1.00  0.00           H  
HETATM   65  H   UNL     1       0.633  -3.409   1.898  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.546  -2.906   3.134  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.764  -2.376   3.733  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.720  -1.507   1.070  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.000  -1.974  -0.489  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.570   0.686   0.944  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.850   0.219  -0.615  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.963   1.272   1.021  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.171  -0.467   0.700  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.540   0.013  -1.271  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.206   0.911   0.116  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.862   3.268  -2.445  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.995   1.568  -2.963  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.833   1.881  -1.855  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.626   2.614  -0.439  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.879   2.044  -0.739  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.022   2.719   0.667  1.00  0.00           H  
HETATM   82  H   UNL     1       4.322   0.273  -0.427  1.00  0.00           H  
CONECT    1   46    2    2    5                                       
CONECT    2    7    1    1    3                                       
CONECT    3    2   39    4    4                                       
CONECT    4    3    3    6                                            
CONECT    5    1    6    6                                            
CONECT    6    5    5    4   47                                       
CONECT    7    8    8    2   48                                       
CONECT    8    9   46    7    7                                       
CONECT    9    8   10   49   50                                       
CONECT   10    9   37   36   35                                       
CONECT   11   15   39   12   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   40   12   54   55                                       
CONECT   14   15   40   56   57                                       
CONECT   15   14   11   58   59                                       
CONECT   16   17   40   60   61                                       
CONECT   17   22   22   18   16                                       
CONECT   18   19   19   17   62                                       
CONECT   19   20   18   18   63                                       
CONECT   20   41   21   21   19                                       
CONECT   21   25   20   20   22                                       
CONECT   22   21   23   17   17                                       
CONECT   23   22   64   65   66                                       
CONECT   24   26   41   25   25                                       
CONECT   25   24   24   21   67                                       
CONECT   26   42   42   42   24                                       
CONECT   27   41   28   68   69                                       
CONECT   28   27   43   70   71                                       
CONECT   29   43   30   72   73                                       
CONECT   30   29   44   74   75                                       
CONECT   31   32   44   76   77                                       
CONECT   32   31   43   78   79                                       
CONECT   33   34   44   45   45                                       
CONECT   34   38   33   80   81                                       
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   34                                                      
CONECT   39    3   11   82                                            
CONECT   40   14   16   13                                            
CONECT   41   24   27   20                                            
CONECT   42   26   26   26                                            
CONECT   43   32   28   29                                            
CONECT   44   31   33   30                                            
CONECT   45   33   33                                                 
CONECT   46    8    1                                                 
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
