COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.090   0.390  -4.516  1.00  0.00           C  
HETATM    2  C   UNL     1       7.059   1.318  -4.667  1.00  0.00           C  
HETATM    3  C   UNL     1       7.273   2.657  -4.342  1.00  0.00           C  
HETATM    4  C   UNL     1       8.517   3.069  -3.865  1.00  0.00           C  
HETATM    5  C   UNL     1       9.531   2.136  -3.720  1.00  0.00           C  
HETATM    6  C   UNL     1       9.335   0.803  -4.039  1.00  0.00           C  
HETATM    7  C   UNL     1       7.868  -1.006  -4.854  1.00  0.00           C  
HETATM    8  N   UNL     1       6.668  -1.517  -5.336  1.00  0.00           N  
HETATM    9  N   UNL     1       8.869  -1.847  -4.695  1.00  0.00           N  
HETATM   10  C   UNL     1      10.958   2.511  -1.891  1.00  0.00           C  
HETATM   11  C   UNL     1      12.181   2.912  -1.378  1.00  0.00           C  
HETATM   12  N   UNL     1       9.924   2.080  -1.134  1.00  0.00           N  
HETATM   13  C   UNL     1      12.354   2.867   0.001  1.00  0.00           C  
HETATM   14  O   UNL     1      10.762   2.545  -3.247  1.00  0.00           O  
HETATM   15  C   UNL     1      11.314   2.429   0.813  1.00  0.00           C  
HETATM   16  C   UNL     1      10.140   2.054   0.194  1.00  0.00           C  
HETATM   17  N   UNL     1      13.580   3.264   0.573  1.00  0.00           N  
HETATM   18  O   UNL     1       9.089   1.613   0.979  1.00  0.00           O  
HETATM   19  F   UNL     1      13.164   3.328  -2.187  1.00  0.00           F  
HETATM   20  F   UNL     1      11.450   2.374   2.144  1.00  0.00           F  
HETATM   21  C   UNL     1       7.939   1.247   0.348  1.00  0.00           C  
HETATM   22  C   UNL     1       7.739  -0.068  -0.071  1.00  0.00           C  
HETATM   23  C   UNL     1       6.553  -0.422  -0.716  1.00  0.00           C  
HETATM   24  C   UNL     1       5.594   0.547  -0.926  1.00  0.00           C  
HETATM   25  C   UNL     1       5.767   1.854  -0.521  1.00  0.00           C  
HETATM   26  C   UNL     1       6.953   2.208   0.123  1.00  0.00           C  
HETATM   27  C   UNL     1       8.754  -1.087   0.156  1.00  0.00           C  
HETATM   28  O   UNL     1       8.739  -2.056  -0.799  1.00  0.00           O  
HETATM   29  O   UNL     1       9.552  -1.103   1.097  1.00  0.00           O  
HETATM   30  C   UNL     1       4.331   0.170  -1.612  1.00  0.00           C  
HETATM   31  C   UNL     1      14.809   2.580   0.224  1.00  0.00           C  
HETATM   32  C   UNL     1      13.630   4.370   1.509  1.00  0.00           C  
HETATM   33  C   UNL     1      15.450   3.284  -0.964  1.00  0.00           C  
HETATM   34  C   UNL     1      14.492   1.125  -0.088  1.00  0.00           C  
HETATM   35  C   UNL     1      12.770   4.037   2.720  1.00  0.00           C  
HETATM   36  C   UNL     1      13.149   5.632   0.807  1.00  0.00           C  
HETATM   37  O   UNL     1       3.723   1.020  -2.258  1.00  0.00           O  
HETATM   38  N   UNL     1       3.973  -1.141  -1.466  1.00  0.00           N  
HETATM   39  C   UNL     1       2.753  -1.678  -2.110  1.00  0.00           C  
HETATM   40  C   UNL     1       3.044  -2.221  -3.515  1.00  0.00           C  
HETATM   41  C   UNL     1       4.088  -3.339  -3.501  1.00  0.00           C  
HETATM   42  C   UNL     1       1.771  -2.682  -4.226  1.00  0.00           C  
HETATM   43  H   UNL     1       6.086   1.007  -5.038  1.00  0.00           H  
HETATM   44  H   UNL     1       6.470   3.379  -4.460  1.00  0.00           H  
HETATM   45  H   UNL     1       8.677   4.114  -3.613  1.00  0.00           H  
HETATM   46  H   UNL     1      10.141   0.083  -3.919  1.00  0.00           H  
HETATM   47  H   UNL     1       6.562  -2.501  -5.562  1.00  0.00           H  
HETATM   48  H   UNL     1       5.849  -0.936  -5.470  1.00  0.00           H  
HETATM   49  H   UNL     1       6.396  -1.448  -1.043  1.00  0.00           H  
HETATM   50  H   UNL     1       5.006   2.611  -0.691  1.00  0.00           H  
HETATM   51  H   UNL     1       7.102   3.234   0.448  1.00  0.00           H  
HETATM   52  H   UNL     1       9.419  -2.748  -0.655  1.00  0.00           H  
HETATM   53  H   UNL     1      15.482   2.630   1.087  1.00  0.00           H  
HETATM   54  H   UNL     1      14.671   4.501   1.823  1.00  0.00           H  
HETATM   55  H   UNL     1      16.392   2.800  -1.242  1.00  0.00           H  
HETATM   56  H   UNL     1      14.790   3.275  -1.838  1.00  0.00           H  
HETATM   57  H   UNL     1      15.665   4.331  -0.725  1.00  0.00           H  
HETATM   58  H   UNL     1      14.024   0.636   0.773  1.00  0.00           H  
HETATM   59  H   UNL     1      15.404   0.572  -0.338  1.00  0.00           H  
HETATM   60  H   UNL     1      13.799   1.038  -0.933  1.00  0.00           H  
HETATM   61  H   UNL     1      12.800   4.848   3.455  1.00  0.00           H  
HETATM   62  H   UNL     1      11.724   3.873   2.435  1.00  0.00           H  
HETATM   63  H   UNL     1      13.124   3.123   3.209  1.00  0.00           H  
HETATM   64  H   UNL     1      13.774   5.851  -0.066  1.00  0.00           H  
HETATM   65  H   UNL     1      13.193   6.494   1.481  1.00  0.00           H  
HETATM   66  H   UNL     1      12.117   5.526   0.455  1.00  0.00           H  
HETATM   67  H   UNL     1       4.532  -1.814  -0.982  1.00  0.00           H  
HETATM   68  H   UNL     1       2.004  -0.881  -2.152  1.00  0.00           H  
HETATM   69  H   UNL     1       2.354  -2.476  -1.474  1.00  0.00           H  
HETATM   70  H   UNL     1       3.464  -1.391  -4.098  1.00  0.00           H  
HETATM   71  H   UNL     1       3.717  -4.237  -2.997  1.00  0.00           H  
HETATM   72  H   UNL     1       4.361  -3.621  -4.523  1.00  0.00           H  
HETATM   73  H   UNL     1       5.001  -3.013  -2.991  1.00  0.00           H  
HETATM   74  H   UNL     1       1.319  -3.547  -3.730  1.00  0.00           H  
HETATM   75  H   UNL     1       1.991  -2.969  -5.260  1.00  0.00           H  
HETATM   76  H   UNL     1       1.029  -1.878  -4.255  1.00  0.00           H  
HETATM   77  H   UNL     1       9.687  -1.343  -4.337  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3    3   43                                       
CONECT    3    2    2    4   44                                       
CONECT    4    3    5    5   45                                       
CONECT    5    4    4    6   14                                       
CONECT    6    1    1    5   46                                       
CONECT    7    1    8    9    9                                       
CONECT    8    7   47   48                                            
CONECT    9    7    7   77                                            
CONECT   10   11   11   12   14                                       
CONECT   11   10   10   13   19                                       
CONECT   12   10   16   16                                            
CONECT   13   11   15   15   17                                       
CONECT   14    5   10                                                 
CONECT   15   13   13   16   20                                       
CONECT   16   12   12   15   18                                       
CONECT   17   13   31   32                                            
CONECT   18   16   21                                                 
CONECT   19   11                                                      
CONECT   20   15                                                      
CONECT   21   18   22   22   26                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25   30                                       
CONECT   25   24   26   26   50                                       
CONECT   26   21   25   25   51                                       
CONECT   27   22   28   29   29                                       
CONECT   28   27   52                                                 
CONECT   29   27   27                                                 
CONECT   30   24   37   37   38                                       
CONECT   31   17   33   34   53                                       
CONECT   32   17   35   36   54                                       
CONECT   33   31   55   56   57                                       
CONECT   34   31   58   59   60                                       
CONECT   35   32   61   62   63                                       
CONECT   36   32   64   65   66                                       
CONECT   37   30   30                                                 
CONECT   38   30   39   67                                            
CONECT   39   38   40   68   69                                       
CONECT   40   39   41   42   70                                       
CONECT   41   40   71   72   73                                       
CONECT   42   40   74   75   76                                       
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77    9                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
