COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.180   1.659   0.243  1.00  0.00           N  
HETATM    2  C   UNL     1       5.944   0.488  -0.605  1.00  0.00           C  
HETATM    3  C   UNL     1       4.665  -1.562  -0.765  1.00  0.00           C  
HETATM    4  C   UNL     1       6.816  -0.710  -0.152  1.00  0.00           C  
HETATM    5  C   UNL     1       3.823  -2.422   0.179  1.00  0.00           C  
HETATM    6  C   UNL     1       1.476  -2.682   0.780  1.00  0.00           C  
HETATM    7  C   UNL     1       4.512  -0.071  -0.394  1.00  0.00           C  
HETATM    8  F   UNL     1      -3.184  -3.228   2.026  1.00  0.00           F  
HETATM    9  N   UNL     1       6.088  -1.904  -0.618  1.00  0.00           N  
HETATM   10  N   UNL     1       2.404  -2.116  -0.018  1.00  0.00           N  
HETATM   11  O   UNL     1       1.817  -3.445   1.663  1.00  0.00           O  
HETATM   12  C   UNL     1       0.045  -2.374   0.581  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.346  -1.501  -0.437  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.668  -1.214  -0.625  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.637  -1.791   0.202  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.250  -2.668   1.225  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.916  -2.961   1.409  1.00  0.00           C  
HETATM   18  C   UNL     1       6.635  -3.110  -0.868  1.00  0.00           C  
HETATM   19  O   UNL     1       5.956  -3.999  -1.336  1.00  0.00           O  
HETATM   20  C   UNL     1       8.091  -3.354  -0.565  1.00  0.00           C  
HETATM   21  C   UNL     1       8.424  -4.313   0.579  1.00  0.00           C  
HETATM   22  C   UNL     1       8.653  -4.744  -0.871  1.00  0.00           C  
HETATM   23  C   UNL     1       7.184   2.511  -0.049  1.00  0.00           C  
HETATM   24  O   UNL     1       7.891   2.307  -1.013  1.00  0.00           O  
HETATM   25  C   UNL     1       7.426   3.716   0.823  1.00  0.00           C  
HETATM   26  N   UNL     1       8.767   4.294   0.546  1.00  0.00           N  
HETATM   27  C   UNL     1       8.664   5.698   1.022  1.00  0.00           C  
HETATM   28  C   UNL     1       7.249   6.149   0.600  1.00  0.00           C  
HETATM   29  C   UNL     1       6.435   4.845   0.470  1.00  0.00           C  
HETATM   30  F   UNL     1       7.297   6.816  -0.628  1.00  0.00           F  
HETATM   31  C   UNL     1      -4.022  -1.487   0.003  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.157  -1.238  -0.159  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.543  -0.934  -0.357  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.513  -1.510   0.467  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.845  -1.212   0.270  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.222  -0.346  -0.741  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.267   0.228  -1.561  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.930  -0.055  -1.373  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.680  -0.026  -0.950  1.00  0.00           C  
HETATM   40  N   UNL     1     -11.045   1.146  -0.143  1.00  0.00           N  
HETATM   41  C   UNL     1     -12.501   1.346  -0.133  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.841   2.538   0.765  1.00  0.00           C  
HETATM   43  O   UNL     1     -12.139   3.694   0.300  1.00  0.00           O  
HETATM   44  C   UNL     1     -10.718   3.534   0.278  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.356   2.352  -0.625  1.00  0.00           C  
HETATM   46  H   UNL     1       5.612   1.824   1.012  1.00  0.00           H  
HETATM   47  H   UNL     1       6.121   0.725  -1.654  1.00  0.00           H  
HETATM   48  H   UNL     1       4.347  -1.722  -1.795  1.00  0.00           H  
HETATM   49  H   UNL     1       7.800  -0.660  -0.617  1.00  0.00           H  
HETATM   50  H   UNL     1       6.909  -0.722   0.934  1.00  0.00           H  
HETATM   51  H   UNL     1       4.001  -3.476  -0.034  1.00  0.00           H  
HETATM   52  H   UNL     1       4.101  -2.207   1.211  1.00  0.00           H  
HETATM   53  H   UNL     1       4.205   0.038   0.646  1.00  0.00           H  
HETATM   54  H   UNL     1       3.804   0.421  -1.061  1.00  0.00           H  
HETATM   55  H   UNL     1       2.132  -1.508  -0.722  1.00  0.00           H  
HETATM   56  H   UNL     1       0.399  -1.053  -1.078  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.965  -0.538  -1.413  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.615  -3.639   2.193  1.00  0.00           H  
HETATM   59  H   UNL     1       8.752  -2.500  -0.715  1.00  0.00           H  
HETATM   60  H   UNL     1       9.303  -4.091   1.183  1.00  0.00           H  
HETATM   61  H   UNL     1       7.589  -4.768   1.113  1.00  0.00           H  
HETATM   62  H   UNL     1       7.969  -5.482  -1.291  1.00  0.00           H  
HETATM   63  H   UNL     1       9.683  -4.804  -1.221  1.00  0.00           H  
HETATM   64  H   UNL     1       7.337   3.447   1.875  1.00  0.00           H  
HETATM   65  H   UNL     1       8.978   4.261  -0.440  1.00  0.00           H  
HETATM   66  H   UNL     1       8.769   5.740   2.106  1.00  0.00           H  
HETATM   67  H   UNL     1       9.420   6.319   0.540  1.00  0.00           H  
HETATM   68  H   UNL     1       6.814   6.793   1.364  1.00  0.00           H  
HETATM   69  H   UNL     1       6.073   4.725  -0.552  1.00  0.00           H  
HETATM   70  H   UNL     1       5.600   4.848   1.170  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.221  -2.187   1.256  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.596  -1.657   0.906  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.568   0.904  -2.349  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.186   0.397  -2.011  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.857   0.189  -2.004  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.286  -0.880  -0.646  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.848   1.543  -1.148  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.989   0.450   0.251  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.914   2.726   0.730  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.542   2.318   1.790  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.255   4.443  -0.108  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.357   3.344   1.289  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.279   2.191  -0.600  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.669   2.566  -1.647  1.00  0.00           H  
CONECT    1   23    2   46                                            
CONECT    2    1    4    7   47                                       
CONECT    3    7    9    5   48                                       
CONECT    4    2    9   49   50                                       
CONECT    5    3   10   51   52                                       
CONECT    6   10   11   11   12                                       
CONECT    7    2    3   53   54                                       
CONECT    8   16                                                      
CONECT    9    4    3   18                                            
CONECT   10    5    6   55                                            
CONECT   11    6    6                                                 
CONECT   12    6   13   13   17                                       
CONECT   13   12   12   14   56                                       
CONECT   14   13   15   15   57                                       
CONECT   15   14   14   16   31                                       
CONECT   16   17   17   15    8                                       
CONECT   17   12   16   16   58                                       
CONECT   18    9   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   22   21   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   20   21   62   63                                       
CONECT   23   25   24   24    1                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   29   64                                       
CONECT   26   27   25   65                                            
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   30   68                                       
CONECT   29   25   28   69   70                                       
CONECT   30   28                                                      
CONECT   31   15   32   32   32                                       
CONECT   32   31   31   31   33                                       
CONECT   33   32   38   38   34                                       
CONECT   34   33   35   35   71                                       
CONECT   35   34   34   36   72                                       
CONECT   36   37   37   35   39                                       
CONECT   37   38   36   36   73                                       
CONECT   38   33   33   37   74                                       
CONECT   39   36   40   75   76                                       
CONECT   40   39   41   45                                            
CONECT   41   40   42   77   78                                       
CONECT   42   41   43   79   80                                       
CONECT   43   42   44                                                 
CONECT   44   45   43   81   82                                       
CONECT   45   40   44   83   84                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
