COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.466  -1.051   0.024  1.00  0.00           N  
HETATM    2  C   UNL     1       2.193  -1.423   0.112  1.00  0.00           C  
HETATM    3  N   UNL     1       1.201  -0.544   0.137  1.00  0.00           N  
HETATM    4  C   UNL     1       1.444   0.759   0.072  1.00  0.00           C  
HETATM    5  C   UNL     1       2.787   1.198  -0.023  1.00  0.00           C  
HETATM    6  C   UNL     1       3.801   0.225  -0.045  1.00  0.00           C  
HETATM    7  N   UNL     1       0.409   1.669   0.098  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.915   1.221   0.074  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.902   1.932   0.746  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.209   1.487   0.721  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.536   0.335   0.029  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.556  -0.374  -0.641  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.248   0.068  -0.625  1.00  0.00           C  
HETATM   14  S   UNL     1      -5.205  -0.229   0.001  1.00  0.00           S  
HETATM   15  O   UNL     1      -5.152  -1.624  -0.268  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.833   0.317   1.152  1.00  0.00           O  
HETATM   17  N   UNL     1      -5.938   0.472  -1.309  1.00  0.00           N  
HETATM   18  C   UNL     1       3.109   2.622  -0.097  1.00  0.00           C  
HETATM   19  O   UNL     1       4.267   2.978  -0.178  1.00  0.00           O  
HETATM   20 CL   UNL     1       5.468   0.693  -0.160  1.00  0.00          Cl  
HETATM   21  S   UNL     1       1.812  -3.141   0.201  1.00  0.00           S  
HETATM   22  C   UNL     1       3.482  -3.837   0.129  1.00  0.00           C  
HETATM   23  H   UNL     1       0.599   2.619   0.131  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.647   2.831   1.287  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.977   2.039   1.243  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.815  -1.274  -1.180  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.484  -0.484  -1.152  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.435   1.069  -1.884  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.870   0.285  -1.500  1.00  0.00           H  
HETATM   30  H   UNL     1       2.318   3.356  -0.079  1.00  0.00           H  
HETATM   31  H   UNL     1       3.424  -4.925   0.174  1.00  0.00           H  
HETATM   32  H   UNL     1       3.961  -3.537  -0.803  1.00  0.00           H  
HETATM   33  H   UNL     1       4.065  -3.469   0.973  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   21                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   18                                       
CONECT    6    1    5    5   20                                       
CONECT    7    4    8   23                                            
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   24                                       
CONECT   10    9   11   11   25                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   26                                       
CONECT   13    8   12   12   27                                       
CONECT   14   11   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   28   29                                            
CONECT   18    5   19   19   30                                       
CONECT   19   18   18                                                 
CONECT   20    6                                                      
CONECT   21    2   22                                                 
CONECT   22   21   31   32   33                                       
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   17                                                      
CONECT   29   17                                                      
CONECT   30   18                                                      
CONECT   31   22                                                      
CONECT   32   22                                                      
CONECT   33   22                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
