COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.253   0.094  -0.333  1.00  0.00           C  
HETATM    2  C   UNL     1       2.933   1.045  -0.411  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.842   0.261  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.074  -0.260  -0.574  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.358  -0.240  -0.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.931  -1.400   0.441  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.230  -2.587   0.409  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.936  -2.619  -0.120  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.183  -3.884  -0.157  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.359  -1.445  -0.613  1.00  0.00           C  
HETATM   11  C   UNL     1       2.003  -0.154   1.217  1.00  0.00           C  
HETATM   12  N   UNL     1       3.859   0.207   0.101  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.118   1.030  -0.008  1.00  0.00           N1+
HETATM   14  N   UNL     1       3.251  -0.535   1.122  1.00  0.00           N  
HETATM   15  O   UNL     1       0.586   2.921  -0.631  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.519   0.883  -1.057  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.245   1.051   0.453  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.616   2.054  -0.437  1.00  0.00           O1-
HETATM   19  O   UNL     1      -0.485   1.588   1.192  1.00  0.00           O  
HETATM   20  S   UNL     1       0.254   1.683  -0.018  1.00  0.00           S  
HETATM   21  H   UNL     1       5.871   0.784   0.242  1.00  0.00           H  
HETATM   22  H   UNL     1       5.602  -0.926  -0.173  1.00  0.00           H  
HETATM   23  H   UNL     1       5.325   0.340  -1.393  1.00  0.00           H  
HETATM   24  H   UNL     1       3.087   1.748  -1.216  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.931  -1.376   0.849  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.680  -3.491   0.792  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.631  -4.790   0.225  1.00  0.00           H  
HETATM   28  H   UNL     1       0.640  -1.462  -1.022  1.00  0.00           H  
HETATM   29  H   UNL     1       1.274  -0.542   1.913  1.00  0.00           H  
HETATM   30  O   UNL     1       0.939  -3.909  -0.616  1.00  0.00           O  
CONECT    1   12   21   22   23                                       
CONECT    2   12    3    3   24                                       
CONECT    3    2    2   20   11                                       
CONECT    4   16    5    5   10                                       
CONECT    5   13    4    4    6                                       
CONECT    6    5    7    7   25                                       
CONECT    7    6    6    8   26                                       
CONECT    8   10   10    7    9                                       
CONECT    9    8   27   30   30                                       
CONECT   10    4    8    8   28                                       
CONECT   11    3   14   14   29                                       
CONECT   12    1    2   14                                            
CONECT   13   18   17   17    5                                       
CONECT   14   12   11   11                                            
CONECT   15   20   20                                                 
CONECT   16   20    4                                                 
CONECT   17   13   13                                                 
CONECT   18   13                                                      
CONECT   19   20   20                                                 
CONECT   20   19   19    3   16                                       
CONECT   20   15   15                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30    9    9                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
