COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.831  -0.726  -2.535  1.00  0.00           C  
HETATM    2  O   UNL     1       2.431  -0.301  -3.840  1.00  0.00           O  
HETATM    3  C   UNL     1       1.107  -0.029  -3.774  1.00  0.00           C  
HETATM    4  N   UNL     1       0.459   0.391  -4.855  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.833   0.656  -4.792  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.563   1.133  -6.021  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.487   0.504  -3.654  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.845   0.083  -2.568  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.530  -0.075  -1.375  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.879  -0.502  -0.275  1.00  0.00           C  
HETATM   11  O   UNL     1       0.310  -0.747  -0.330  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.546  -0.657   0.885  1.00  0.00           N  
HETATM   13  S   UNL     1      -0.777  -1.302   2.202  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.727  -1.270   3.258  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.112  -2.465   1.729  1.00  0.00           O  
HETATM   16  C   UNL     1       0.497  -0.179   2.671  1.00  0.00           C  
HETATM   17  C   UNL     1       1.821  -0.567   2.596  1.00  0.00           C  
HETATM   18  C   UNL     1       2.821   0.313   2.964  1.00  0.00           C  
HETATM   19  C   UNL     1       2.497   1.582   3.407  1.00  0.00           C  
HETATM   20  C   UNL     1       1.173   1.971   3.482  1.00  0.00           C  
HETATM   21  C   UNL     1       0.172   1.091   3.108  1.00  0.00           C  
HETATM   22  N   UNL     1       0.453  -0.189  -2.630  1.00  0.00           N  
HETATM   23 CL   UNL     1      -1.491   1.579   3.201  1.00  0.00          Cl  
HETATM   24  H   UNL     1       3.896  -0.957  -2.539  1.00  0.00           H  
HETATM   25  H   UNL     1       2.635   0.070  -1.818  1.00  0.00           H  
HETATM   26  H   UNL     1       2.267  -1.615  -2.254  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.952   0.274  -6.569  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.390   1.779  -5.725  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.877   1.690  -6.658  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.479   0.120  -1.331  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.476  -0.390   0.949  1.00  0.00           H  
HETATM   32  H   UNL     1       2.075  -1.558   2.250  1.00  0.00           H  
HETATM   33  H   UNL     1       3.856   0.010   2.905  1.00  0.00           H  
HETATM   34  H   UNL     1       3.278   2.269   3.695  1.00  0.00           H  
HETATM   35  H   UNL     1       0.920   2.962   3.828  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   22                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   27   28   29                                       
CONECT    7    5    5    8                                            
CONECT    8    7    9   22   22                                       
CONECT    9    8   10   30                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   31                                            
CONECT   13   12   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   17   21                                       
CONECT   17   16   16   18   32                                       
CONECT   18   17   19   19   33                                       
CONECT   19   18   18   20   34                                       
CONECT   20   19   21   21   35                                       
CONECT   21   16   20   20   23                                       
CONECT   22    3    8    8                                            
CONECT   23   21                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   12                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
