COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.624   0.178  -0.275  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.373   1.078  -1.270  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.421   1.823  -1.465  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.404   1.448  -0.611  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.727   1.890  -0.377  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.450   1.270   0.583  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.907   0.246   1.300  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.679  -0.173   1.092  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.906   0.387   0.155  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.203   2.807  -1.023  1.00  0.00           O  
HETATM   11  N   UNL     1      -6.665  -0.364   2.268  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.693  -0.832   0.235  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.329  -0.438  -0.029  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.874  -2.164  -0.528  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.693  -3.063   0.221  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.438  -2.719  -0.658  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.327  -3.980   0.004  1.00  0.00           O  
HETATM   18  C   UNL     1       0.440  -1.658   0.042  1.00  0.00           C  
HETATM   19  C   UNL     1       1.769  -1.493  -0.699  1.00  0.00           C  
HETATM   20  O   UNL     1       2.582  -0.540  -0.012  1.00  0.00           O  
HETATM   21  P   UNL     1       4.053  -0.119  -0.513  1.00  0.00           P  
HETATM   22  S   UNL     1       3.926   0.712  -2.459  1.00  0.00           S  
HETATM   23  O   UNL     1       4.925  -1.315  -0.543  1.00  0.00           O  
HETATM   24  N   UNL     1       4.684   0.991   0.516  1.00  0.00           N  
HETATM   25  C   UNL     1       4.644   2.359   0.369  1.00  0.00           C  
HETATM   26  C   UNL     1       5.275   2.886   1.432  1.00  0.00           C  
HETATM   27  N   UNL     1       5.695   1.878   2.216  1.00  0.00           N  
HETATM   28  C   UNL     1       5.342   0.735   1.679  1.00  0.00           C  
HETATM   29  N   UNL     1       5.601  -0.521   2.203  1.00  0.00           N  
HETATM   30  H   UNL     1      -1.443   1.159  -1.813  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.359   1.556   0.762  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.573  -0.065   2.434  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.292  -1.094   2.787  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.845  -0.982   1.304  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.304  -1.984  -1.513  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.839  -3.915  -0.212  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.158  -2.814  -1.707  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.903  -4.667  -0.359  1.00  0.00           H  
HETATM   39  H   UNL     1       0.616  -1.936   1.081  1.00  0.00           H  
HETATM   40  H   UNL     1       2.286  -2.453  -0.735  1.00  0.00           H  
HETATM   41  H   UNL     1       1.578  -1.144  -1.714  1.00  0.00           H  
HETATM   42  H   UNL     1       3.017   1.692  -2.310  1.00  0.00           H  
HETATM   43  H   UNL     1       4.191   2.905  -0.445  1.00  0.00           H  
HETATM   44  H   UNL     1       5.420   3.939   1.624  1.00  0.00           H  
HETATM   45  H   UNL     1       6.161  -0.612   2.990  1.00  0.00           H  
HETATM   46  H   UNL     1       5.223  -1.309   1.783  1.00  0.00           H  
CONECT    1    9   12    2                                            
CONECT    2    3    3    1   30                                       
CONECT    3    4    2    2                                            
CONECT    4    5    9    9    3                                       
CONECT    5    6   10   10    4                                       
CONECT    6    7    5   31                                            
CONECT    7   11    6    8    8                                       
CONECT    8    7    7    9                                            
CONECT    9    8    4    4    1                                       
CONECT   10    5    5                                                 
CONECT   11    7   32   33                                            
CONECT   12    1   13   14   34                                       
CONECT   13   12   18                                                 
CONECT   14   12   15   16   35                                       
CONECT   15   14   36                                                 
CONECT   16   14   18   17   37                                       
CONECT   17   16   38                                                 
CONECT   18   13   16   19   39                                       
CONECT   19   18   20   40   41                                       
CONECT   20   19   21                                                 
CONECT   21   20   24   22   23                                       
CONECT   21   23                                                      
CONECT   22   21   42                                                 
CONECT   23   21   21                                                 
CONECT   24   28   25   21                                            
CONECT   25   26   26   24   43                                       
CONECT   26   27   25   25   44                                       
CONECT   27   28   28   26                                            
CONECT   28   29   27   27   24                                       
CONECT   29   28   45   46                                            
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
