COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.009   1.138   1.350  1.00  0.00           N  
HETATM    2  C   UNL     1       1.162   1.065   0.591  1.00  0.00           C  
HETATM    3  C   UNL     1       1.481   2.084  -0.297  1.00  0.00           C  
HETATM    4  C   UNL     1       2.011  -0.026   0.727  1.00  0.00           C  
HETATM    5  C   UNL     1       2.639   2.008  -1.045  1.00  0.00           C  
HETATM    6  C   UNL     1       3.165  -0.098  -0.029  1.00  0.00           C  
HETATM    7  C   UNL     1       3.480   0.918  -0.912  1.00  0.00           C  
HETATM    8  N   UNL     1       4.068  -1.263   0.110  1.00  0.00           N1+
HETATM    9  S   UNL     1      -1.434   1.582   0.632  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.823   0.353  -0.569  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.145   2.763  -0.103  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.427   1.463   1.641  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.092  -0.958  -0.204  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.863   0.648  -1.909  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.406  -1.722  -1.785  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.117  -1.557   1.132  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.169  -0.335  -2.796  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.506  -2.838   1.290  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.786  -0.898   2.100  1.00  0.00           O  
HETATM   20  O   UNL     1       5.088  -1.325  -0.553  1.00  0.00           O1-
HETATM   21  O   UNL     1       3.791  -2.159   0.887  1.00  0.00           O  
HETATM   22  H   UNL     1       0.013   0.930   2.297  1.00  0.00           H  
HETATM   23  H   UNL     1       0.825   2.935  -0.402  1.00  0.00           H  
HETATM   24  H   UNL     1       1.766  -0.820   1.416  1.00  0.00           H  
HETATM   25  H   UNL     1       2.888   2.800  -1.736  1.00  0.00           H  
HETATM   26  H   UNL     1       4.385   0.861  -1.499  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.658   1.651  -2.253  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.245  -0.268  -3.872  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.523  -3.234   2.172  1.00  0.00           H  
CONECT    1    2    9   22                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2    5   23                                       
CONECT    4    2    6    6   24                                       
CONECT    5    3    7    7   25                                       
CONECT    6    4    4    7    8                                       
CONECT    7    5    5    6   26                                       
CONECT    8    6   20   21   21                                       
CONECT    9    1   10   11   11                                       
CONECT    9   12   12                                                 
CONECT   10    9   13   13   14                                       
CONECT   11    9    9                                                 
CONECT   12    9    9                                                 
CONECT   13   10   10   15   16                                       
CONECT   14   10   17   17   27                                       
CONECT   15   13   17                                                 
CONECT   16   13   18   19   19                                       
CONECT   17   14   14   15   28                                       
CONECT   18   16   29                                                 
CONECT   19   16   16                                                 
CONECT   20    8                                                      
CONECT   21    8    8                                                 
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27   14                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
