COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.641  -0.568   1.379  1.00  0.00           C  
HETATM    2  N   UNL     1       3.994  -0.882   0.874  1.00  0.00           N  
HETATM    3  O   UNL     1       1.671  -1.720   1.756  1.00  0.00           O  
HETATM    4  F   UNL     1       6.996   0.640  -2.800  1.00  0.00           F  
HETATM    5  F   UNL     1       5.101   4.690  -1.233  1.00  0.00           F  
HETATM    6  C   UNL     1       2.890   0.080   0.839  1.00  0.00           C  
HETATM    7  C   UNL     1       2.649   0.528  -0.604  1.00  0.00           C  
HETATM    8  C   UNL     1       3.853   1.284  -1.103  1.00  0.00           C  
HETATM    9  C   UNL     1       6.064   2.674  -2.020  1.00  0.00           C  
HETATM   10  C   UNL     1       4.883   0.608  -1.729  1.00  0.00           C  
HETATM   11  C   UNL     1       3.924   2.655  -0.940  1.00  0.00           C  
HETATM   12  C   UNL     1       5.989   1.302  -2.188  1.00  0.00           C  
HETATM   13  C   UNL     1       5.029   3.351  -1.398  1.00  0.00           C  
HETATM   14  N   UNL     1       0.491   0.131   1.438  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.726  -0.502   1.958  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.402  -1.255   0.845  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.459  -0.753  -0.260  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.645   0.579   2.526  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.760   1.672   1.577  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.032   1.113   3.826  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.941  -2.470   1.050  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.322  -3.421   0.005  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.195  -2.799  -1.032  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.677  -2.607  -2.123  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.938  -4.654   0.661  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.028  -4.341   2.162  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.228  -3.049   2.366  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.472  -2.423  -0.917  1.00  0.00           N  
HETATM   29  O   UNL     1      -5.240  -0.047  -0.229  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.059  -1.594  -1.985  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.295  -0.212  -1.429  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.363  -2.209  -2.469  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.294  -2.526  -1.299  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.567  -3.192  -1.831  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.598  -3.472  -0.324  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.326  -2.801   0.211  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.538   0.823  -2.267  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.623   2.182  -1.696  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.386   2.429  -0.883  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.454   1.644  -0.998  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.890   2.293  -0.849  1.00  0.00           C  
HETATM   42  N   UNL     1      -4.199   3.461  -0.041  1.00  0.00           N  
HETATM   43  C   UNL     1      -2.945   3.646   0.706  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.796   2.518   1.697  1.00  0.00           C  
HETATM   45  O   UNL     1      -3.609   2.375   2.579  1.00  0.00           O  
HETATM   46  C   UNL     1      -3.000   4.993   1.427  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.407   5.555   1.191  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.128   4.531   0.301  1.00  0.00           C  
HETATM   49  O   UNL     1       5.500   0.749   0.958  1.00  0.00           O  
HETATM   50  C   UNL     1       5.267  -0.444   0.933  1.00  0.00           C  
HETATM   51  C   UNL     1       6.376  -1.411   0.968  1.00  0.00           C  
HETATM   52  C   UNL     1       7.633  -0.979   1.027  1.00  0.00           C  
HETATM   53  C   UNL     1       8.769  -1.969   1.063  1.00  0.00           C  
HETATM   54  C   UNL     1       9.746  -1.665  -0.075  1.00  0.00           C  
HETATM   55  C   UNL     1      10.392  -0.299   0.159  1.00  0.00           C  
HETATM   56  C   UNL     1      10.831  -2.743  -0.116  1.00  0.00           C  
HETATM   57  C   UNL     1      11.735  -2.510  -1.328  1.00  0.00           C  
HETATM   58  H   UNL     1       3.809  -1.834   0.854  1.00  0.00           H  
HETATM   59  H   UNL     1       3.143   0.946   1.451  1.00  0.00           H  
HETATM   60  H   UNL     1       2.483  -0.347  -1.233  1.00  0.00           H  
HETATM   61  H   UNL     1       1.772   1.174  -0.642  1.00  0.00           H  
HETATM   62  H   UNL     1       6.927   3.216  -2.378  1.00  0.00           H  
HETATM   63  H   UNL     1       4.824  -0.463  -1.860  1.00  0.00           H  
HETATM   64  H   UNL     1       3.116   3.183  -0.455  1.00  0.00           H  
HETATM   65  H   UNL     1       0.467   1.053   1.137  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.451  -1.198   2.751  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.622   0.158   2.729  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.049   1.535   3.618  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.678   1.886   4.242  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.933   0.298   4.543  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.385  -3.749  -0.495  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.918  -4.871   0.254  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.288  -5.523   0.509  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.063  -4.191   2.461  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.586  -5.149   2.741  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.291  -3.276   2.869  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.805  -2.340   2.961  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.356  -1.535  -2.815  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.862  -1.509  -3.143  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.148  -3.127  -3.019  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.558  -1.602  -0.781  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.304  -4.115  -2.348  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.233  -3.419  -0.998  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.068  -2.517  -2.524  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.267  -3.702   0.503  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.330  -4.393  -0.841  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.809  -3.479   0.879  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.614  -1.906   0.766  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.658   0.684  -3.218  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.677   2.908  -2.512  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.854   1.559  -0.044  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.957   3.294  -0.425  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.762   2.104  -1.475  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.106   3.639   0.009  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.824   4.856   2.498  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.253   5.674   1.018  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.935   5.652   2.144  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.355   6.524   0.695  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.496   5.022  -0.602  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.972   4.124   0.864  1.00  0.00           H  
HETATM  101  H   UNL     1       6.170  -2.470   0.947  1.00  0.00           H  
HETATM  102  H   UNL     1       7.839   0.081   1.049  1.00  0.00           H  
HETATM  103  H   UNL     1       9.288  -1.891   2.018  1.00  0.00           H  
HETATM  104  H   UNL     1       8.375  -2.978   0.944  1.00  0.00           H  
HETATM  105  H   UNL     1       9.208  -1.655  -1.023  1.00  0.00           H  
HETATM  106  H   UNL     1      11.088  -0.083  -0.651  1.00  0.00           H  
HETATM  107  H   UNL     1       9.619   0.469   0.188  1.00  0.00           H  
HETATM  108  H   UNL     1      10.930  -0.309   1.107  1.00  0.00           H  
HETATM  109  H   UNL     1      11.426  -2.694   0.796  1.00  0.00           H  
HETATM  110  H   UNL     1      10.365  -3.725  -0.193  1.00  0.00           H  
HETATM  111  H   UNL     1      11.140  -2.559  -2.240  1.00  0.00           H  
HETATM  112  H   UNL     1      12.201  -1.528  -1.250  1.00  0.00           H  
HETATM  113  H   UNL     1      12.509  -3.278  -1.357  1.00  0.00           H  
CONECT    1    3    3    6   14                                       
CONECT    2    6   58   50                                            
CONECT    3    1    1                                                 
CONECT    4   12                                                      
CONECT    5   13                                                      
CONECT    6    1    2    7   59                                       
CONECT    7    6    8   60   61                                       
CONECT    8    7   10   10   11                                       
CONECT    9   12   12   13   62                                       
CONECT   10    8    8   12   63                                       
CONECT   11    8   13   13   64                                       
CONECT   12    4    9    9   10                                       
CONECT   13    5    9   11   11                                       
CONECT   14   15   65    1                                            
CONECT   15   14   16   18   66                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   67                                       
CONECT   19   18   44                                                 
CONECT   20   18   68   69   70                                       
CONECT   21   22   27   16                                            
CONECT   22   21   23   25   71                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   72   73                                       
CONECT   26   25   27   74   75                                       
CONECT   27   21   26   76   77                                       
CONECT   28   30   36   23                                            
CONECT   29   31   31                                                 
CONECT   30   28   32   31   78                                       
CONECT   31   29   29   30   37                                       
CONECT   32   30   33   79   80                                       
CONECT   33   32   35   34   81                                       
CONECT   34   33   82   83   84                                       
CONECT   35   33   36   85   86                                       
CONECT   36   28   35   87   88                                       
CONECT   37   38   89   31                                            
CONECT   38   37   39   41   90                                       
CONECT   39   38   40   40   42                                       
CONECT   40   39   39                                                 
CONECT   41   38   91   92   93                                       
CONECT   42   43   48   39                                            
CONECT   43   42   44   46   94                                       
CONECT   44   43   45   45   19                                       
CONECT   45   44   44                                                 
CONECT   46   43   47   95   96                                       
CONECT   47   46   48   97   98                                       
CONECT   48   42   47   99  100                                       
CONECT   49   50   50                                                 
CONECT   50   49   49   51    2                                       
CONECT   51   50   52   52  101                                       
CONECT   52   51   51   53  102                                       
CONECT   53   52   54  103  104                                       
CONECT   54   53   55   56  105                                       
CONECT   55   54  106  107  108                                       
CONECT   56   54   57  109  110                                       
CONECT   57   56  111  112  113                                       
CONECT   58    2                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   43                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   55                                                      
CONECT  107   55                                                      
CONECT  108   55                                                      
CONECT  109   56                                                      
CONECT  110   56                                                      
CONECT  111   57                                                      
CONECT  112   57                                                      
CONECT  113   57                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
