COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.346   1.674  -0.884  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.621   1.578  -2.319  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.234  -0.178   1.935  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.055  -1.913  -0.817  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.036  -2.862  -1.021  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.652  -3.468   0.062  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.285  -3.126   1.354  1.00  0.00           C  
HETATM    8  C   UNL     1       1.797  -0.260  -0.657  1.00  0.00           C  
HETATM    9  C   UNL     1       3.615  -1.269  -2.041  1.00  0.00           C  
HETATM   10  C   UNL     1      10.783   1.399   1.196  1.00  0.00           C  
HETATM   11  N   UNL     1      10.095   0.135   0.902  1.00  0.00           N  
HETATM   12  C   UNL     1      10.356  -0.863   1.949  1.00  0.00           C  
HETATM   13  C   UNL     1       8.652   0.349   0.727  1.00  0.00           C  
HETATM   14  C   UNL     1       8.009  -0.928   0.182  1.00  0.00           C  
HETATM   15  C   UNL     1       6.506  -0.704   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       5.744  -2.218  -0.646  1.00  0.00           S  
HETATM   17  O   UNL     1       6.171  -2.461  -1.979  1.00  0.00           O  
HETATM   18  O   UNL     1       5.774  -3.248   0.332  1.00  0.00           O  
HETATM   19  N   UNL     1       4.138  -1.842  -0.793  1.00  0.00           N  
HETATM   20  C   UNL     1       3.210  -2.073   0.322  1.00  0.00           C  
HETATM   21  C   UNL     1       2.466  -0.768   0.623  1.00  0.00           C  
HETATM   22  C   UNL     1       2.867   0.027  -1.714  1.00  0.00           C  
HETATM   23  C   UNL     1       1.036   1.006  -0.357  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.294   1.055  -0.569  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.000   2.195  -0.302  1.00  0.00           N  
HETATM   26  C   UNL     1       1.717   2.128   0.149  1.00  0.00           C  
HETATM   27  C   UNL     1       1.029   3.269   0.420  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.361   3.310   0.189  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.265   4.262   0.357  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.466   3.800  -0.007  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.757   4.575   0.034  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.893   5.409  -1.242  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.326   2.515  -0.421  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.098   0.938   0.017  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.004   0.065  -0.301  1.00  0.00           N  
HETATM   36  S   UNL     1      -3.974   1.042   1.770  1.00  0.00           S  
HETATM   37  C   UNL     1      -5.628  -0.547   0.704  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.683  -1.566   0.480  1.00  0.00           C  
HETATM   39  F   UNL     1      -9.612  -4.396  -0.141  1.00  0.00           F  
HETATM   40  C   UNL     1      -7.304  -2.179   1.567  1.00  0.00           C  
HETATM   41  H   UNL     1      -2.960   0.835  -2.767  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.658   1.279  -2.471  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.449   2.547  -2.788  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.621  -0.567   2.865  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.573  -1.444  -1.663  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.326  -3.131  -2.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.768  -3.601   2.195  1.00  0.00           H  
HETATM   48  H   UNL     1       1.109  -1.017  -1.032  1.00  0.00           H  
HETATM   49  H   UNL     1       4.441  -1.053  -2.718  1.00  0.00           H  
HETATM   50  H   UNL     1       2.932  -1.977  -2.510  1.00  0.00           H  
HETATM   51  H   UNL     1      11.850   1.211   1.320  1.00  0.00           H  
HETATM   52  H   UNL     1      10.631   2.095   0.371  1.00  0.00           H  
HETATM   53  H   UNL     1      10.380   1.827   2.113  1.00  0.00           H  
HETATM   54  H   UNL     1      10.000  -0.485   2.907  1.00  0.00           H  
HETATM   55  H   UNL     1       9.835  -1.788   1.706  1.00  0.00           H  
HETATM   56  H   UNL     1      11.427  -1.054   2.009  1.00  0.00           H  
HETATM   57  H   UNL     1       8.203   0.600   1.688  1.00  0.00           H  
HETATM   58  H   UNL     1       8.489   1.167   0.025  1.00  0.00           H  
HETATM   59  H   UNL     1       8.458  -1.179  -0.779  1.00  0.00           H  
HETATM   60  H   UNL     1       8.173  -1.745   0.885  1.00  0.00           H  
HETATM   61  H   UNL     1       6.057  -0.453   0.961  1.00  0.00           H  
HETATM   62  H   UNL     1       6.343   0.113  -0.702  1.00  0.00           H  
HETATM   63  H   UNL     1       2.493  -2.847   0.046  1.00  0.00           H  
HETATM   64  H   UNL     1       3.768  -2.387   1.203  1.00  0.00           H  
HETATM   65  H   UNL     1       3.172  -0.022   0.985  1.00  0.00           H  
HETATM   66  H   UNL     1       1.706  -0.950   1.383  1.00  0.00           H  
HETATM   67  H   UNL     1       2.392   0.411  -2.616  1.00  0.00           H  
HETATM   68  H   UNL     1       3.570   0.766  -1.329  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.807   0.186  -0.954  1.00  0.00           H  
HETATM   70  H   UNL     1       2.782   2.083   0.322  1.00  0.00           H  
HETATM   71  H   UNL     1       1.543   4.136   0.809  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.595   3.882   0.106  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.757   5.236   0.901  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.055   6.102  -1.314  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.893   4.748  -2.109  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.827   5.970  -1.212  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.019  -1.912   2.574  1.00  0.00           H  
CONECT    1    2   33   34                                            
CONECT    2    1   41   42   43                                       
CONECT    3   36   37   37   44                                       
CONECT    4    5    5   38   45                                       
CONECT    5    4    4    6   46                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6   40   47                                       
CONECT    8   21   22   23   48                                       
CONECT    9   19   22   49   50                                       
CONECT   10   11   51   52   53                                       
CONECT   11   10   12   13                                            
CONECT   12   11   54   55   56                                       
CONECT   13   11   14   57   58                                       
CONECT   14   13   15   59   60                                       
CONECT   15   14   16   61   62                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19    9   16   20                                            
CONECT   20   19   21   63   64                                       
CONECT   21    8   20   65   66                                       
CONECT   22    8    9   67   68                                       
CONECT   23    8   24   24   26                                       
CONECT   24   23   23   25   69                                       
CONECT   25   24   28   33                                            
CONECT   26   23   27   27   70                                       
CONECT   27   26   26   28   71                                       
CONECT   28   25   27   29   29                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   33   33                                       
CONECT   31   30   32   72   73                                       
CONECT   32   31   74   75   76                                       
CONECT   33    1   25   30   30                                       
CONECT   34    1   35   35   36                                       
CONECT   35   34   34   37                                            
CONECT   36    3   34                                                 
CONECT   37    3    3   35   38                                       
CONECT   38    4   37   40   40                                       
CONECT   39    6                                                      
CONECT   40    7   38   38   77                                       
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
