COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.140   0.541  -0.270  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.090  -0.050   0.430  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.943  -0.130  -0.241  1.00  0.00           C  
HETATM    4  C   UNL     1       0.333  -0.725   0.295  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.420  -2.960   0.922  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.169  -4.916  -0.555  1.00  0.00           C  
HETATM    7  C   UNL     1       1.203  -1.344  -0.821  1.00  0.00           C  
HETATM    8  C   UNL     1       3.581   0.741   0.554  1.00  0.00           C  
HETATM    9  C   UNL     1       5.790   1.304   0.214  1.00  0.00           C  
HETATM   10  C   UNL     1       7.395  -0.445   0.265  1.00  0.00           C  
HETATM   11  C   UNL     1       5.412   2.641   0.074  1.00  0.00           C  
HETATM   12  C   UNL     1       4.072   2.963   0.194  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.493   0.718   0.312  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.501   1.316  -0.438  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.018   0.444   2.153  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.759   0.280   1.609  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.814   2.093  -0.650  1.00  0.00           C  
HETATM   18  N   UNL     1      -8.641   2.580  -1.256  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.770   1.479   0.116  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.022   1.042   1.418  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.824   0.942  -1.515  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.140   0.561  -1.846  1.00  0.00           S  
HETATM   23  C   UNL     1       1.278   0.349   0.887  1.00  0.00           C  
HETATM   24  N   UNL     1       2.631  -0.237   0.801  1.00  0.00           N  
HETATM   25  C   UNL     1       2.635  -1.258  -0.262  1.00  0.00           C  
HETATM   26  C   UNL     1       0.831  -2.769  -1.078  1.00  0.00           C  
HETATM   27  O   UNL     1       1.222  -3.285  -2.104  1.00  0.00           O  
HETATM   28  N   UNL     1       0.091  -3.509  -0.242  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.347  -3.567   1.606  1.00  0.00           N  
HETATM   30  N   UNL     1       0.079  -1.746   1.321  1.00  0.00           N  
HETATM   31  N   UNL     1       3.193   2.001   0.431  1.00  0.00           N  
HETATM   32  F   UNL     1       6.334   3.598  -0.167  1.00  0.00           F  
HETATM   33  N   UNL     1       4.855   0.392   0.451  1.00  0.00           N  
HETATM   34  O   UNL     1       7.092   0.943   0.109  1.00  0.00           O  
HETATM   35  H   UNL     1      -2.198  -0.415   1.441  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.775  -5.359   0.235  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.703  -4.984  -1.503  1.00  0.00           H  
HETATM   38  H   UNL     1       0.777  -5.453  -0.631  1.00  0.00           H  
HETATM   39  H   UNL     1       1.119  -0.755  -1.734  1.00  0.00           H  
HETATM   40  H   UNL     1       8.469  -0.597   0.158  1.00  0.00           H  
HETATM   41  H   UNL     1       7.077  -0.778   1.253  1.00  0.00           H  
HETATM   42  H   UNL     1       6.869  -1.019  -0.498  1.00  0.00           H  
HETATM   43  H   UNL     1       3.746   3.988   0.091  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.301   1.653  -1.444  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.216   0.107   3.160  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.978  -0.188   2.190  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.004   1.167   1.849  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.502   1.420  -2.206  1.00  0.00           H  
HETATM   49  H   UNL     1       1.224   1.266   0.299  1.00  0.00           H  
HETATM   50  H   UNL     1       1.018   0.550   1.926  1.00  0.00           H  
HETATM   51  H   UNL     1       2.930  -2.223   0.151  1.00  0.00           H  
HETATM   52  H   UNL     1       3.324  -0.966  -1.054  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.692  -4.421   1.303  1.00  0.00           H  
HETATM   54  H   UNL     1       0.260  -1.572   2.258  1.00  0.00           H  
CONECT    1   21   21   13    2                                       
CONECT    2    1    3    3   35                                       
CONECT    3   22    2    2    4                                       
CONECT    4   23    3    7   30                                       
CONECT    5   30   28   29   29                                       
CONECT    6   28   36   37   38                                       
CONECT    7    4   25   26   39                                       
CONECT    8   33   24   31   31                                       
CONECT    9   34   33   33   11                                       
CONECT   10   34   40   41   42                                       
CONECT   11    9   32   12   12                                       
CONECT   12   11   11   31   43                                       
CONECT   13   16    1   14   14                                       
CONECT   14   13   13   19   44                                       
CONECT   15   16   16   20   45                                       
CONECT   16   15   15   13   46                                       
CONECT   17   19   18   18   18                                       
CONECT   18   17   17   17                                            
CONECT   19   20   20   14   17                                       
CONECT   20   15   19   19   47                                       
CONECT   21   22    1    1   48                                       
CONECT   22   21    3                                                 
CONECT   23   24    4   49   50                                       
CONECT   24   23    8   25                                            
CONECT   25   24    7   51   52                                       
CONECT   26    7   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26    5    6                                            
CONECT   29    5    5   53                                            
CONECT   30    4    5   54                                            
CONECT   31    8    8   12                                            
CONECT   32   11                                                      
CONECT   33    9    9    8                                            
CONECT   34   10    9                                                 
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
