COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.393  -0.229   0.048  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.147   2.536   0.080  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.369   1.944   0.366  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.495   0.575   0.352  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.061   1.772  -0.219  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.160   0.364  -0.242  1.00  0.00           C  
HETATM    7  N   UNL     1       2.179  -1.329   1.134  1.00  0.00           N  
HETATM    8  CA  UNL     1       2.081  -0.052   0.414  1.00  0.00           C  
HETATM    9  C   UNL     1       1.281  -0.254  -0.874  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.138  -0.628  -0.531  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.546  -1.880  -0.471  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.243  -1.979  -0.042  1.00  0.00           S  
HETATM   13  C   UNL     1       3.464   0.441   0.075  1.00  0.00           C  
HETATM   14  O   UNL     1       4.394  -0.331   0.061  1.00  0.00           O  
HETATM   15  OXT UNL     1       3.663   1.737  -0.211  1.00  0.00           O  
HETATM   16  H   UNL     1      -2.057   3.612   0.094  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.224   2.561   0.602  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.449   0.119   0.575  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.116   2.246  -0.440  1.00  0.00           H  
HETATM   20  H1  UNL     1       1.269  -1.648   1.429  1.00  0.00           H  
HETATM   21  H2  UNL     1       2.642  -2.027   0.572  1.00  0.00           H  
HETATM   22  HA  UNL     1       1.578   0.682   1.044  1.00  0.00           H  
HETATM   23  H   UNL     1       1.284   0.671  -1.452  1.00  0.00           H  
HETATM   24  H   UNL     1       1.735  -1.051  -1.463  1.00  0.00           H  
HETATM   25  H   UNL     1       0.086  -2.736  -0.658  1.00  0.00           H  
HETATM   26  HXT UNL     1       4.568   2.006  -0.423  1.00  0.00           H  
CONECT    1    6   12    4    4                                       
CONECT    2    5    3    3   16                                       
CONECT    3    2    2    4   17                                       
CONECT    4    1    1    3   18                                       
CONECT    5    6    6    2   19                                       
CONECT    6   10    5    5    1                                       
CONECT    7    8   20   21                                            
CONECT    8   13    7    9   22                                       
CONECT    9    8   10   23   24                                       
CONECT   10    9   11   11    6                                       
CONECT   11   10   10   12   25                                       
CONECT   12   11    1                                                 
CONECT   13   14   14   15    8                                       
CONECT   14   13   13                                                 
CONECT   15   13   26                                                 
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   15                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
