COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.537   1.222  -0.001  1.00  0.00           N  
HETATM    2  C   UNL     1       1.430   2.195   0.001  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.823  -2.223   0.000  1.00  0.00           N1+
HETATM    4  C   UNL     1      -1.019   2.128   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.189   1.372   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.464   1.974   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.796  -2.831   1.055  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.796  -2.832  -1.054  1.00  0.00           O1-
HETATM    9  C   UNL     1      -0.889  -0.744   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.121  -0.095   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.341  -0.808  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.503  -0.104  -0.001  1.00  0.00           C  
HETATM   13  C   UNL     1       0.280   0.012   0.001  1.00  0.00           C  
HETATM   14  C   UNL     1       0.211   1.478   0.001  1.00  0.00           C  
HETATM   15  N   UNL     1       2.554   1.513   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       1.493  -0.565   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.579   0.181   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1       4.146  -0.624  -0.001  1.00  0.00           S  
HETATM   19  C   UNL     1       5.241   0.817  -0.001  1.00  0.00           C  
HETATM   20  H   UNL     1       1.438   3.275   0.001  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.066   3.207   0.001  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.555   3.050   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.350  -1.888  -0.001  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.437  -0.646  -0.001  1.00  0.00           H  
HETATM   25  H   UNL     1       6.279   0.486  -0.001  1.00  0.00           H  
HETATM   26  H   UNL     1       5.051   1.418  -0.891  1.00  0.00           H  
HETATM   27  H   UNL     1       5.051   1.417   0.890  1.00  0.00           H  
CONECT    1    6    6   12                                            
CONECT    2   14   14   15   20                                       
CONECT    3    9    7    7    8                                       
CONECT    4    5    5   14   21                                       
CONECT    5    6    4    4   10                                       
CONECT    6    1    1    5   22                                       
CONECT    7    3    3                                                 
CONECT    8    3                                                      
CONECT    9   10   10   13    3                                       
CONECT   10    5   11    9    9                                       
CONECT   11   12   12   10   23                                       
CONECT   12    1   11   11   24                                       
CONECT   13   14    9   16   16                                       
CONECT   14    4    2    2   13                                       
CONECT   15    2   17   17                                            
CONECT   16   13   13   17                                            
CONECT   17   15   15   16   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   25   26   27                                       
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23   11                                                      
CONECT   24   12                                                      
CONECT   25   19                                                      
CONECT   26   19                                                      
CONECT   27   19                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
