COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.420  -2.147   0.236  1.00  0.00           N  
HETATM    2  C   UNL     1       2.122  -2.350   0.337  1.00  0.00           C  
HETATM    3  N   UNL     1       1.256  -1.359   0.279  1.00  0.00           N  
HETATM    4  C   UNL     1       1.669  -0.105   0.115  1.00  0.00           C  
HETATM    5  C   UNL     1       3.037   0.147   0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       3.909  -0.924   0.071  1.00  0.00           C  
HETATM    7  N   UNL     1       0.754   0.936   0.054  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.617   0.661   0.049  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.505   1.545   0.647  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.859   1.272   0.640  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.330   0.119   0.038  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.448  -0.763  -0.558  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.094  -0.493  -0.560  1.00  0.00           C  
HETATM   14  S   UNL     1      -5.058  -0.226   0.032  1.00  0.00           S  
HETATM   15  O   UNL     1      -5.185  -1.633  -0.123  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.614   0.489   1.126  1.00  0.00           O  
HETATM   17  N   UNL     1      -5.689   0.454  -1.340  1.00  0.00           N  
HETATM   18  N   UNL     1       3.542   1.526  -0.180  1.00  0.00           N1+
HETATM   19  O   UNL     1       3.813   2.210   0.791  1.00  0.00           O1-
HETATM   20  O   UNL     1       3.687   1.977  -1.302  1.00  0.00           O  
HETATM   21 CL   UNL     1       5.622  -0.673  -0.059  1.00  0.00          Cl  
HETATM   22  H   UNL     1       1.758  -3.358   0.471  1.00  0.00           H  
HETATM   23  H   UNL     1       1.065   1.853   0.014  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.138   2.445   1.117  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.551   1.959   1.105  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.819  -1.663  -1.026  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.405  -1.180  -1.030  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.110   0.933  -1.954  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.636   0.374  -1.529  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   22                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   18                                       
CONECT    6    1    5    5   21                                       
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   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18                                                 
CONECT   21    6                                                      
CONECT   22    2                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   17                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
