COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       1.686   1.750  -0.058  1.00  0.00           N  
HETATM    2  C   UNK     1       1.672   0.362   0.420  1.00  0.00           C  
HETATM    3  C   UNK     1       2.910  -0.349  -0.063  1.00  0.00           C  
HETATM    4  O   UNK     1       3.530   0.089  -1.003  1.00  0.00           O  
HETATM    5  C   UNK     1       0.431  -0.352  -0.122  1.00  0.00           C  
HETATM    6  S   UNK     1      -1.059   0.503   0.459  1.00  0.00           S  
HETATM    7  C   UNK     1      -2.401  -0.472  -0.275  1.00  0.00           C  
HETATM    8  C   UNK     1      -3.749   0.130   0.128  1.00  0.00           C  
HETATM    9  O   UNK     1      -4.806  -0.639  -0.450  1.00  0.00           O  
HETATM   10  H   UNK     1       1.707   1.786  -1.066  1.00  0.00           H  
HETATM   11  H   UNK     1       0.899   2.266   0.305  1.00  0.00           H  
HETATM   12  H   UNK     1       1.649   0.353   1.510  1.00  0.00           H  
HETATM   13  O   UNK     1       3.326  -1.467   0.553  1.00  0.00           O  
HETATM   14  H   UNK     1       0.454  -0.343  -1.212  1.00  0.00           H  
HETATM   15  H   UNK     1       0.421  -1.382   0.233  1.00  0.00           H  
HETATM   16  H   UNK     1      -2.308  -0.461  -1.360  1.00  0.00           H  
HETATM   17  H   UNK     1      -2.341  -1.500   0.084  1.00  0.00           H  
HETATM   18  H   UNK     1      -3.842   0.118   1.214  1.00  0.00           H  
HETATM   19  H   UNK     1      -3.809   1.158  -0.231  1.00  0.00           H  
HETATM   20  H   UNK     1      -5.691  -0.313  -0.236  1.00  0.00           H  
HETATM   21  H   UNK     1       4.125  -1.887   0.208  1.00  0.00           H  
CONECT    1    2   10   11                                            
CONECT    2    1    3    5   12                                       
CONECT    3    2    4    4   13                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   14   15                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   16   17                                       
CONECT    8    7    9   18   19                                       
CONECT    9    8   20                                                 
CONECT   10    1                                                      
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    3   21                                                 
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
