COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.866   1.648  -1.460  1.00  0.00           C  
HETATM    2  F   UNL     1       0.046   6.371  -0.602  1.00  0.00           F  
HETATM    3  N   UNL     1      -3.668  -1.385   0.396  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.362  -1.020   0.521  1.00  0.00           C  
HETATM    5  F   UNL     1      -2.966   3.831   2.029  1.00  0.00           F  
HETATM    6  N   UNL     1      -6.004   3.735  -3.247  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.150   0.159  -0.124  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.446   0.562  -0.704  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.687  -0.345  -0.752  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.360  -0.444  -0.345  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.648   2.848  -2.633  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.458  -6.915  -0.364  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.100   0.720  -1.499  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.200   1.731  -1.858  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.210  -2.503   0.919  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.792  -3.714   0.500  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.677  -3.817  -0.445  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.452  -4.926   0.989  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.610  -5.287   0.057  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.300  -6.554   0.568  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.074  -2.419   1.769  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.877   0.889  -0.226  1.00  0.00           C  
HETATM   23  N   UNL     1       0.231   0.394   0.359  1.00  0.00           N  
HETATM   24  C   UNL     1       1.499   1.121   0.258  1.00  0.00           C  
HETATM   25  C   UNL     1       2.663   0.142   0.419  1.00  0.00           C  
HETATM   26  C   UNL     1       3.985   0.878   0.190  1.00  0.00           C  
HETATM   27  N   UNL     1       5.094  -0.084   0.225  1.00  0.00           N  
HETATM   28  C   UNL     1       6.382   0.589   0.009  1.00  0.00           C  
HETATM   29  C   UNL     1       7.494  -0.428   0.052  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.826   1.939  -0.837  1.00  0.00           O  
HETATM   31  C   UNL     1       1.569   2.180   1.360  1.00  0.00           C  
HETATM   32  C   UNL     1       0.496   3.214   1.132  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.756   3.046   1.691  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.742   3.996   1.482  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.473   5.114   0.711  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.218   5.281   0.151  1.00  0.00           C  
HETATM   37  C   UNL     1       0.768   4.333   0.367  1.00  0.00           C  
HETATM   38  O   UNL     1       2.646  -0.407   1.738  1.00  0.00           O  
HETATM   39  C   UNL     1       7.893  -1.063  -1.108  1.00  0.00           C  
HETATM   40  C   UNL     1       8.917  -1.999  -1.068  1.00  0.00           C  
HETATM   41  C   UNL     1       9.537  -2.294   0.137  1.00  0.00           C  
HETATM   42  C   UNL     1       9.133  -1.656   1.294  1.00  0.00           C  
HETATM   43  C   UNL     1       8.117  -0.720   1.251  1.00  0.00           C  
HETATM   44  O   UNL     1       9.311  -2.625  -2.208  1.00  0.00           O  
HETATM   45  C   UNL     1      10.371  -3.577  -2.091  1.00  0.00           C  
HETATM   46  H   UNL     1      -3.167   2.425  -1.733  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.608  -1.581   1.054  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.391  -1.118  -0.482  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.950  -7.818   0.000  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.176  -6.095  -0.386  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.075  -7.091  -1.369  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.130   0.784  -1.817  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.748  -3.973   0.104  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.847  -4.658  -1.117  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.605  -2.897  -1.025  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.734  -5.747   1.012  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.835  -4.751   1.994  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.328  -4.467   0.034  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.227  -5.463  -0.948  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.683  -6.379   1.573  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.583  -7.374   0.591  1.00  0.00           H  
HETATM   62  H   UNL     1       0.190  -0.444   0.846  1.00  0.00           H  
HETATM   63  H   UNL     1       1.564   1.606  -0.716  1.00  0.00           H  
HETATM   64  H   UNL     1       2.565  -0.662  -0.311  1.00  0.00           H  
HETATM   65  H   UNL     1       3.963   1.371  -0.782  1.00  0.00           H  
HETATM   66  H   UNL     1       4.126   1.624   0.973  1.00  0.00           H  
HETATM   67  H   UNL     1       5.097  -0.601   1.092  1.00  0.00           H  
HETATM   68  H   UNL     1       6.376   1.080  -0.964  1.00  0.00           H  
HETATM   69  H   UNL     1       6.539   1.332   0.790  1.00  0.00           H  
HETATM   70  H   UNL     1       1.415   1.706   2.330  1.00  0.00           H  
HETATM   71  H   UNL     1       2.547   2.661   1.342  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.966   2.174   2.293  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.241   5.854   0.547  1.00  0.00           H  
HETATM   74  H   UNL     1       1.748   4.466  -0.066  1.00  0.00           H  
HETATM   75  H   UNL     1       2.730   0.253   2.440  1.00  0.00           H  
HETATM   76  H   UNL     1       7.408  -0.832  -2.045  1.00  0.00           H  
HETATM   77  H   UNL     1      10.333  -3.022   0.171  1.00  0.00           H  
HETATM   78  H   UNL     1       9.616  -1.885   2.233  1.00  0.00           H  
HETATM   79  H   UNL     1       7.803  -0.222   2.157  1.00  0.00           H  
HETATM   80  H   UNL     1      10.587  -4.002  -3.072  1.00  0.00           H  
HETATM   81  H   UNL     1      11.262  -3.082  -1.706  1.00  0.00           H  
HETATM   82  H   UNL     1      10.072  -4.372  -1.408  1.00  0.00           H  
CONECT    1    8    8   14   46                                       
CONECT    2   36                                                      
CONECT    3   15    4   10                                            
CONECT    4    3    7    7   47                                       
CONECT    5   34                                                      
CONECT    6   11   11   11                                            
CONECT    7    4    4   22    8                                       
CONECT    8    1    1    7   10                                       
CONECT    9   10   10   13   48                                       
CONECT   10    3    8    9    9                                       
CONECT   11    6    6    6   14                                       
CONECT   12   20   49   50   51                                       
CONECT   13    9   14   14   52                                       
CONECT   14    1   11   13   13                                       
CONECT   15    3   16   21   21                                       
CONECT   16   15   17   18                                            
CONECT   17   16   53   54   55                                       
CONECT   18   16   19   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   12   19   60   61                                       
CONECT   21   15   15                                                 
CONECT   22    7   30   30   23                                       
CONECT   23   22   24   62                                            
CONECT   24   23   31   25   63                                       
CONECT   25   24   38   26   64                                       
CONECT   26   25   27   65   66                                       
CONECT   27   26   28   67                                            
CONECT   28   27   29   68   69                                       
CONECT   29   28   39   39   43                                       
CONECT   30   22   22                                                 
CONECT   31   24   32   70   71                                       
CONECT   32   31   37   37   33                                       
CONECT   33   32   34   34   72                                       
CONECT   34    5   33   33   35                                       
CONECT   35   34   36   36   73                                       
CONECT   36    2   35   35   37                                       
CONECT   37   32   32   36   74                                       
CONECT   38   25   75                                                 
CONECT   39   29   29   40   76                                       
CONECT   40   39   44   41   41                                       
CONECT   41   40   40   42   77                                       
CONECT   42   41   43   43   78                                       
CONECT   43   29   42   42   79                                       
CONECT   44   40   45                                                 
CONECT   45   44   80   81   82                                       
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    9                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
