COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.145  -0.279   1.100  1.00  0.00           C  
HETATM    2  O   UNL     1       7.101  -0.065   2.296  1.00  0.00           O  
HETATM    3  C   UNL     1       8.435  -0.606   0.455  1.00  0.00           C  
HETATM    4  C   UNL     1       9.603  -0.669   1.216  1.00  0.00           C  
HETATM    5  C   UNL     1      10.803  -0.975   0.608  1.00  0.00           C  
HETATM    6  C   UNL     1      10.850  -1.219  -0.753  1.00  0.00           C  
HETATM    7  C   UNL     1       9.695  -1.158  -1.513  1.00  0.00           C  
HETATM    8  C   UNL     1       8.488  -0.859  -0.916  1.00  0.00           C  
HETATM    9  N   UNL     1       6.018  -0.224   0.364  1.00  0.00           N  
HETATM   10  C   UNL     1       4.739   0.094   1.004  1.00  0.00           C  
HETATM   11  C   UNL     1       3.611  -0.482   0.187  1.00  0.00           C  
HETATM   12  O   UNL     1       3.852  -1.098  -0.830  1.00  0.00           O  
HETATM   13  C   UNL     1       4.578   1.612   1.096  1.00  0.00           C  
HETATM   14  C   UNL     1       5.650   2.184   2.026  1.00  0.00           C  
HETATM   15  C   UNL     1       5.489   3.702   2.118  1.00  0.00           C  
HETATM   16  C   UNL     1       6.561   4.273   3.048  1.00  0.00           C  
HETATM   17  N   UNL     1       2.335  -0.314   0.587  1.00  0.00           N  
HETATM   18  C   UNL     1       1.239  -0.874  -0.207  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.020  -0.086   0.048  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.003   0.852   0.818  1.00  0.00           O  
HETATM   21  C   UNL     1       1.016  -2.334   0.190  1.00  0.00           C  
HETATM   22  C   UNL     1       2.249  -3.159  -0.184  1.00  0.00           C  
HETATM   23  C   UNL     1       2.026  -4.619   0.213  1.00  0.00           C  
HETATM   24  C   UNL     1       3.259  -5.444  -0.161  1.00  0.00           C  
HETATM   25  N   UNL     1       3.045  -6.846   0.221  1.00  0.00           N1+
HETATM   26  N   UNL     1      -1.165  -0.422  -0.578  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.388   0.344  -0.330  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.589  -0.523  -0.610  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.438  -1.668  -0.980  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.418   1.568  -1.247  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.270   2.510  -0.879  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.300   3.734  -1.796  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.200   4.635  -1.444  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.026   5.804  -2.133  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.856   6.122  -3.125  1.00  0.00           N  
HETATM   36  N   UNL     1       0.974   6.623  -1.812  1.00  0.00           N1+
HETATM   37  N   UNL     1      -4.831  -0.026  -0.449  1.00  0.00           N  
HETATM   38  F   UNL     1      -4.852  -2.645  -2.651  1.00  0.00           F  
HETATM   39  F   UNL     1      -4.019  -0.520  -2.760  1.00  0.00           F  
HETATM   40  F   UNL     1      -5.436  -1.276  -4.384  1.00  0.00           F  
HETATM   41  C   UNL     1      -5.999  -0.868  -0.720  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.195  -0.358   0.086  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.108  -0.018   2.386  1.00  0.00           C  
HETATM   44  N   UNL     1      -7.838  -0.180   3.817  1.00  0.00           N  
HETATM   45  C   UNL     1      -5.134  -1.325  -3.019  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.912  -0.528   1.580  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.330  -0.815  -2.213  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.771   0.210   4.738  1.00  0.00           C  
HETATM   49  N   UNL     1      -9.926   0.737   4.334  1.00  0.00           N  
HETATM   50  N   UNL     1      -8.525   0.062   6.039  1.00  0.00           N1+
HETATM   51  O   UNL     1      -7.468  -1.637  -2.478  1.00  0.00           O  
HETATM   52  H   UNL     1       9.568  -0.479   2.279  1.00  0.00           H  
HETATM   53  H   UNL     1      11.708  -1.024   1.196  1.00  0.00           H  
HETATM   54  H   UNL     1      11.792  -1.458  -1.224  1.00  0.00           H  
HETATM   55  H   UNL     1       9.739  -1.349  -2.575  1.00  0.00           H  
HETATM   56  H   UNL     1       7.587  -0.816  -1.510  1.00  0.00           H  
HETATM   57  H   UNL     1       6.053  -0.395  -0.590  1.00  0.00           H  
HETATM   58  H   UNL     1       4.718  -0.335   2.006  1.00  0.00           H  
HETATM   59  H   UNL     1       4.688   2.050   0.103  1.00  0.00           H  
HETATM   60  H   UNL     1       3.591   1.850   1.490  1.00  0.00           H  
HETATM   61  H   UNL     1       5.540   1.746   3.019  1.00  0.00           H  
HETATM   62  H   UNL     1       6.638   1.946   1.632  1.00  0.00           H  
HETATM   63  H   UNL     1       5.599   4.140   1.125  1.00  0.00           H  
HETATM   64  H   UNL     1       4.502   3.940   2.512  1.00  0.00           H  
HETATM   65  H   UNL     1       6.451   3.836   4.041  1.00  0.00           H  
HETATM   66  H   UNL     1       7.549   4.036   2.654  1.00  0.00           H  
HETATM   67  H   UNL     1       6.447   5.356   3.114  1.00  0.00           H  
HETATM   68  H   UNL     1       2.143   0.179   1.400  1.00  0.00           H  
HETATM   69  H   UNL     1       1.493  -0.820  -1.266  1.00  0.00           H  
HETATM   70  H   UNL     1       0.850  -2.397   1.266  1.00  0.00           H  
HETATM   71  H   UNL     1       0.144  -2.725  -0.335  1.00  0.00           H  
HETATM   72  H   UNL     1       2.415  -3.096  -1.260  1.00  0.00           H  
HETATM   73  H   UNL     1       3.120  -2.768   0.342  1.00  0.00           H  
HETATM   74  H   UNL     1       1.860  -4.682   1.289  1.00  0.00           H  
HETATM   75  H   UNL     1       1.154  -5.010  -0.312  1.00  0.00           H  
HETATM   76  H   UNL     1       3.425  -5.381  -1.236  1.00  0.00           H  
HETATM   77  H   UNL     1       4.130  -5.053   0.365  1.00  0.00           H  
HETATM   78  H   UNL     1       2.891  -6.904   1.216  1.00  0.00           H  
HETATM   79  H   UNL     1       2.238  -7.208  -0.266  1.00  0.00           H  
HETATM   80  H   UNL     1       3.858  -7.390  -0.026  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.178  -1.172  -1.194  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.409   0.669   0.710  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.309   1.249  -2.284  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.368   2.089  -1.127  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.380   2.829   0.157  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.320   1.988  -1.000  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.190   3.414  -2.832  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.250   4.255  -1.676  1.00  0.00           H  
HETATM   89  H   UNL     1       0.404   4.403  -0.721  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.584   5.525  -3.358  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.733   6.951  -3.614  1.00  0.00           H  
HETATM   92  H   UNL     1       1.579   6.391  -1.090  1.00  0.00           H  
HETATM   93  H   UNL     1       1.097   7.452  -2.301  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.779  -1.897  -0.433  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.997  -0.564   4.111  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.105   0.844   3.387  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.588   1.013   4.987  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.685  -0.322   6.333  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.359   0.696  -0.135  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.084  -0.928  -0.183  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.998  -0.588   2.118  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.273   1.037   2.165  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.748  -1.582   1.801  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.023   0.043   1.849  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.265  -1.371  -2.000  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.953   0.890  -0.152  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.549   0.213  -2.500  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.187   0.338   6.692  1.00  0.00           H  
CONECT    1    2    2    3    9                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4    8                                       
CONECT    4    3    3    5   52                                       
CONECT    5    4    6    6   53                                       
CONECT    6    5    5    7   54                                       
CONECT    7    6    8    8   55                                       
CONECT    8    3    7    7   56                                       
CONECT    9   10   57    1                                            
CONECT   10    9   11   13   58                                       
CONECT   11   10   12   12   17                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   59   60                                       
CONECT   14   13   15   61   62                                       
CONECT   15   14   16   63   64                                       
CONECT   16   15   65   66   67                                       
CONECT   17   18   68   11                                            
CONECT   18   17   19   21   69                                       
CONECT   19   18   20   20   26                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   70   71                                       
CONECT   22   21   23   72   73                                       
CONECT   23   22   24   74   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   78   79   80                                       
CONECT   26   27   81   19                                            
CONECT   27   26   28   30   82                                       
CONECT   28   27   29   29   37                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   83   84                                       
CONECT   31   30   32   85   86                                       
CONECT   32   31   33   87   88                                       
CONECT   33   32   34   89                                            
CONECT   34   33   35   36   36                                       
CONECT   35   34   90   91                                            
CONECT   36   34   34   92   93                                       
CONECT   37  106   41   28                                            
CONECT   38   45                                                      
CONECT   39   45                                                      
CONECT   40   45                                                      
CONECT   41   37   94   42   47                                       
CONECT   42   41  100   46   99                                       
CONECT   43   44   46  101  102                                       
CONECT   44   43   95   48                                            
CONECT   45   38   39   40   47                                       
CONECT   46   43   42  103  104                                       
CONECT   47   41   45  107   51                                       
CONECT   48   44   49   50   50                                       
CONECT   49   48   96   97                                            
CONECT   50   48   48  108   98                                       
CONECT   51   47  105                                                 
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   41                                                      
CONECT   95   44                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   43                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   51                                                      
CONECT  106   37                                                      
CONECT  107   47                                                      
CONECT  108   50                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
