COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.782   0.494   2.369  1.00  0.00           C  
HETATM    2  C   UNL     1      10.550   0.150   1.272  1.00  0.00           C  
HETATM    3  C   UNL     1      10.066   0.363  -0.005  1.00  0.00           C  
HETATM    4  C   UNL     1       8.813   0.919  -0.185  1.00  0.00           C  
HETATM    5  C   UNL     1       8.045   1.262   0.911  1.00  0.00           C  
HETATM    6  C   UNL     1       8.528   1.045   2.188  1.00  0.00           C  
HETATM    7  S   UNL     1       6.448   1.971   0.682  1.00  0.00           S  
HETATM    8  O   UNL     1       6.158   2.698   1.867  1.00  0.00           O  
HETATM    9  O   UNL     1       6.454   2.563  -0.611  1.00  0.00           O  
HETATM   10  C   UNL     1       5.293   0.643   0.616  1.00  0.00           C  
HETATM   11  C   UNL     1       4.697   0.187   1.777  1.00  0.00           C  
HETATM   12  C   UNL     1       3.791  -0.856   1.725  1.00  0.00           C  
HETATM   13  C   UNL     1       3.480  -1.442   0.512  1.00  0.00           C  
HETATM   14  C   UNL     1       4.075  -0.985  -0.649  1.00  0.00           C  
HETATM   15  C   UNL     1       4.977   0.061  -0.598  1.00  0.00           C  
HETATM   16  C   UNL     1       2.492  -2.579   0.456  1.00  0.00           C  
HETATM   17  N   UNL     1       1.142  -2.044   0.266  1.00  0.00           N  
HETATM   18  C   UNL     1       0.090  -2.882   0.186  1.00  0.00           C  
HETATM   19  O   UNL     1       0.262  -4.083   0.272  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.272  -2.343  -0.006  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.367  -3.204  -0.090  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.631  -2.638  -0.272  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.978  -3.184  -0.404  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.795  -2.181  -0.557  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.087  -0.976  -0.538  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.757  -1.236  -0.364  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.681  -0.461  -0.277  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.480  -0.960  -0.101  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.678   0.357  -0.681  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.072   0.623  -2.156  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.186   1.688  -2.007  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.675   1.522  -0.555  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.936   0.433   0.023  1.00  0.00           O  
HETATM   34  C   UNL     1      -9.170   1.201  -0.543  1.00  0.00           C  
HETATM   35  O   UNL     1      -9.636   1.148   0.807  1.00  0.00           O  
HETATM   36  P   UNL     1     -11.166   0.831   1.195  1.00  0.00           P  
HETATM   37  O   UNL     1     -11.533  -0.671   0.749  1.00  0.00           O  
HETATM   38  O   UNL     1     -11.358   0.981   2.787  1.00  0.00           O  
HETATM   39  O   UNL     1     -12.059   1.785   0.499  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.655   2.999  -2.213  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.965   1.142  -2.895  1.00  0.00           O  
HETATM   42  C   UNL     1      10.904  -0.011  -1.201  1.00  0.00           C  
HETATM   43  F   UNL     1      11.148   1.130  -1.974  1.00  0.00           F  
HETATM   44  F   UNL     1      12.120  -0.550  -0.768  1.00  0.00           F  
HETATM   45  F   UNL     1      10.221  -0.959  -1.970  1.00  0.00           F  
HETATM   46  H   UNL     1      10.161   0.328   3.366  1.00  0.00           H  
HETATM   47  H   UNL     1      11.529  -0.284   1.413  1.00  0.00           H  
HETATM   48  H   UNL     1       8.436   1.089  -1.183  1.00  0.00           H  
HETATM   49  H   UNL     1       7.927   1.313   3.045  1.00  0.00           H  
HETATM   50  H   UNL     1       4.940   0.644   2.724  1.00  0.00           H  
HETATM   51  H   UNL     1       3.326  -1.212   2.632  1.00  0.00           H  
HETATM   52  H   UNL     1       3.832  -1.443  -1.596  1.00  0.00           H  
HETATM   53  H   UNL     1       5.442   0.418  -1.505  1.00  0.00           H  
HETATM   54  H   UNL     1       2.743  -3.237  -0.375  1.00  0.00           H  
HETATM   55  H   UNL     1       2.532  -3.141   1.389  1.00  0.00           H  
HETATM   56  H   UNL     1       1.005  -1.086   0.197  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.241  -4.274  -0.017  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.249  -4.229  -0.381  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.634  -0.292  -0.036  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.988   1.122  -0.324  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.460  -0.282  -2.625  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.998   1.492  -2.708  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.486   2.438   0.006  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.713   1.976  -1.084  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.339   0.237  -1.024  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.987  -1.350   1.168  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.258   0.805   3.093  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.281   3.138  -3.093  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.162   1.324  -3.824  1.00  0.00           H  
CONECT    1    6    6    2   46                                       
CONECT    2    3    3    1   47                                       
CONECT    3    4   42    2    2                                       
CONECT    4    5    5    3   48                                       
CONECT    5    7    4    4    6                                       
CONECT    6    5    1    1   49                                       
CONECT    7    9    9   10    8                                       
CONECT    7    8    5                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   15   15   11    7                                       
CONECT   11   12   12   10   50                                       
CONECT   12   13   11   11   51                                       
CONECT   13   16   14   14   12                                       
CONECT   14   13   13   15   52                                       
CONECT   15   14   10   10   53                                       
CONECT   16   17   13   54   55                                       
CONECT   17   18   16   56                                            
CONECT   18   20   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   21   28   18                                       
CONECT   21   22   20   20   57                                       
CONECT   22   23   26   26   21                                       
CONECT   23   24   24   22   58                                       
CONECT   24   25   23   23                                            
CONECT   25   29   24   26                                            
CONECT   26   25   22   22   27                                       
CONECT   27   26   28   28                                            
CONECT   28   27   27   20   59                                       
CONECT   29   33   30   25   60                                       
CONECT   30   31   29   41   61                                       
CONECT   31   32   40   30   62                                       
CONECT   32   34   33   31   63                                       
CONECT   33   32   29                                                 
CONECT   34   35   32   64   65                                       
CONECT   35   36   34                                                 
CONECT   36   39   39   38   37                                       
CONECT   36   35                                                      
CONECT   37   36   66                                                 
CONECT   38   36   67                                                 
CONECT   39   36   36                                                 
CONECT   40   31   68                                                 
CONECT   41   30   69                                                 
CONECT   42   45   44    3   43                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   40                                                      
CONECT   69   41                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
