COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.263  -2.496   0.645  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.591   1.273   0.094  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.048   0.892   0.034  1.00  0.00           C  
HETATM    4  O   UNL     1       0.269  -3.224  -0.609  1.00  0.00           O1-
HETATM    5  C   UNL     1      -4.825   0.585   1.089  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.766   0.068  -0.019  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.110   0.292   0.579  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.042   0.437  -0.757  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.233  -2.311   0.022  1.00  0.00           N1+
HETATM   10  C   UNL     1       0.409  -0.977   0.031  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -0.872   0.055  1.00  0.00           C  
HETATM   12  N   UNL     1       4.660   0.536  -1.477  1.00  0.00           N  
HETATM   13  C   UNL     1       2.386   0.373   0.064  1.00  0.00           C  
HETATM   14  O   UNL     1       4.625  -0.714   0.650  1.00  0.00           O  
HETATM   15  C   UNL     1       1.610   1.518   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1       0.233   1.421   0.025  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.373   0.171   0.010  1.00  0.00           C  
HETATM   18  O   UNL     1       4.442   1.779   0.644  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.792   0.806  -1.080  1.00  0.00           O  
HETATM   20  S   UNL     1       4.143   0.502   0.095  1.00  0.00           S  
HETATM   21  H   UNL     1      -2.359   1.952  -0.727  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.384   1.768   1.043  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.524   0.566   2.126  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.186  -0.800  -0.116  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.980   0.006   1.152  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.856   0.286  -1.451  1.00  0.00           H  
HETATM   27  H   UNL     1       2.395  -1.764   0.067  1.00  0.00           H  
HETATM   28  H   UNL     1       5.470   1.016  -1.712  1.00  0.00           H  
HETATM   29  H   UNL     1       4.153   0.076  -2.165  1.00  0.00           H  
HETATM   30  H   UNL     1       2.082   2.490   0.058  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.372   2.315   0.014  1.00  0.00           H  
CONECT    1    9    9                                                 
CONECT    2    3    6   21   22                                       
CONECT    3    5    5    2   19                                       
CONECT    4    9                                                      
CONECT    5    7    3    3   23                                       
CONECT    6    2   17   24                                            
CONECT    7    5    8    8   25                                       
CONECT    8    7    7   19   26                                       
CONECT    9    1    1    4   10                                       
CONECT   10    9   17   17   11                                       
CONECT   11   10   13   13   27                                       
CONECT   12   20   28   29                                            
CONECT   13   11   11   15   20                                       
CONECT   14   20   20                                                 
CONECT   15   16   16   13   30                                       
CONECT   16   17   15   15   31                                       
CONECT   17    6   10   10   16                                       
CONECT   18   20   20                                                 
CONECT   19    3    8                                                 
CONECT   20   13   12   18   18                                       
CONECT   20   14   14                                                 
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
