COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.915  -1.615   0.006  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.128  -0.689   0.003  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.834  -0.871   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.941   0.108  -0.002  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.938   1.592   0.008  1.00  0.00           S  
HETATM    6  C   UNL     1      -4.580   0.766   0.004  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.471  -0.001  -0.004  1.00  0.00           C  
HETATM    8  S   UNL     1       0.545  -1.471  -0.007  1.00  0.00           S  
HETATM    9  C   UNL     1       2.120  -0.648  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       3.432  -1.053  -0.016  1.00  0.00           C  
HETATM   11  C   UNL     1       1.742   0.721  -0.008  1.00  0.00           C  
HETATM   12  N   UNL     1       0.428   0.960  -0.006  1.00  0.00           N  
HETATM   13  C   UNL     1       2.804   1.663  -0.009  1.00  0.00           C  
HETATM   14  C   UNL     1       4.098   1.253  -0.010  1.00  0.00           C  
HETATM   15  C   UNL     1       4.439  -0.099  -0.011  1.00  0.00           C  
HETATM   16  O   UNL     1       5.743  -0.478  -0.013  1.00  0.00           O  
HETATM   17  H   UNL     1      -5.149   1.007  -0.894  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.145   1.007   0.905  1.00  0.00           H  
HETATM   19  H   UNL     1       3.677  -2.104  -0.022  1.00  0.00           H  
HETATM   20  H   UNL     1       2.579   2.719  -0.008  1.00  0.00           H  
HETATM   21  H   UNL     1       4.884   1.994  -0.010  1.00  0.00           H  
HETATM   22  H   UNL     1       6.013  -0.557   0.912  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    7                                       
CONECT    5    4    6                                                 
CONECT    6    2    5   17   18                                       
CONECT    7    4    8   12   12                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11   11                                       
CONECT   10    9   15   15   19                                       
CONECT   11    9    9   12   13                                       
CONECT   12    7    7   11                                            
CONECT   13   11   14   14   20                                       
CONECT   14   13   13   15   21                                       
CONECT   15   10   10   14   16                                       
CONECT   16   15   22                                                 
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   13                                                      
CONECT   21   14                                                      
CONECT   22   16                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
