COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.194  -0.047   0.118  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.337   1.118  -0.814  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.285  -0.037   0.092  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.529  -0.904  -0.116  1.00  0.00           C  
HETATM    5  C   UNL     1       0.968  -0.862  -0.205  1.00  0.00           C  
HETATM    6  S   UNL     1      -3.015   0.075   0.236  1.00  0.00           S  
HETATM    7  H   UNL     1      -0.366   0.821  -1.778  1.00  0.00           H  
HETATM    8  H   UNL     1      -0.255   0.313   1.124  1.00  0.00           H  
HETATM    9  H   UNL     1      -1.559  -1.253  -1.148  1.00  0.00           H  
HETATM   10  H   UNL     1      -1.490  -1.761   0.557  1.00  0.00           H  
HETATM   11  H   UNL     1       0.981  -1.137  -1.259  1.00  0.00           H  
HETATM   12  H   UNL     1       0.961  -1.765   0.406  1.00  0.00           H  
HETATM   13  O   UNL     1       2.078   1.078   0.541  1.00  0.00           O  
HETATM   14  O   UNL     1       3.416  -0.574  -0.061  1.00  0.00           O  
HETATM   15  H   UNL     1      -1.121   1.715  -0.596  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.012  -0.800   0.016  1.00  0.00           H  
HETATM   17  H   UNL     1       4.172  -0.013   0.160  1.00  0.00           H  
CONECT    1    5   13   13   14                                       
CONECT    2    3    7   15                                            
CONECT    3    2    4    5    8                                       
CONECT    4    3    6    9   10                                       
CONECT    5    1    3   11   12                                       
CONECT    6    4   16                                                 
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    4                                                      
CONECT   10    4                                                      
CONECT   11    5                                                      
CONECT   12    5                                                      
CONECT   13    1    1                                                 
CONECT   14    1   17                                                 
CONECT   15    2                                                      
CONECT   16    6                                                      
CONECT   17   14                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
