COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.048  -0.285   0.033  1.00  0.00           C  
HETATM    2  N   UNL     1       0.862   1.823  -0.201  1.00  0.00           N  
HETATM    3  OXT UNL     1       2.694   0.249   0.903  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.813   0.387  -0.509  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.429  -0.231   0.137  1.00  0.00           C  
HETATM    6  S   UNL     1      -3.158  -0.371   0.263  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.685   0.362  -0.503  1.00  0.00           C  
HETATM    8  O   UNL     1       2.434  -1.474  -0.455  1.00  0.00           O  
HETATM    9  H1  UNL     1       0.904   1.978   0.795  1.00  0.00           H  
HETATM   10  HA  UNL     1       0.768   0.248  -1.589  1.00  0.00           H  
HETATM   11  H   UNL     1      -0.418  -1.311  -0.016  1.00  0.00           H  
HETATM   12  H   UNL     1      -0.428  -0.015   1.205  1.00  0.00           H  
HETATM   13  H   UNL     1      -1.696   1.442  -0.350  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.686   0.147  -1.571  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.637   2.267  -0.669  1.00  0.00           H  
HETATM   16  H   UNL     1       3.233  -1.866  -0.076  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.169   0.234  -0.386  1.00  0.00           H  
CONECT    1    8    3    3    4                                       
CONECT    2    4    9   15                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   10                                       
CONECT    5    4   12    7   11                                       
CONECT    6    7   17                                                 
CONECT    7    5    6   13   14                                       
CONECT    8    1   16                                                 
CONECT    9    2                                                      
CONECT   10    4                                                      
CONECT   11    5                                                      
CONECT   12    5                                                      
CONECT   13    7                                                      
CONECT   14    7                                                      
CONECT   15    2                                                      
CONECT   16    8                                                      
CONECT   17    6                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
