COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.772  -0.517   0.752  1.00  0.00           O  
HETATM    2  C   UNL     1       3.157   0.269   0.070  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.581   1.537  -0.039  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.918  -0.177  -0.662  1.00  0.00           C  
HETATM    5  N   UNL     1       1.926  -1.640  -0.792  1.00  0.00           N  
HETATM    6  C   UNL     1       0.678   0.258   0.122  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.579  -0.084  -0.680  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.049   0.433   0.249  1.00  0.00           S1+
HETATM    9  C   UNL     1      -2.142  -0.796   1.580  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.746   0.327  -0.194  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.413  -0.048  -0.846  1.00  0.00           C  
HETATM   12  HA  UNL     1       1.898   0.276  -1.653  1.00  0.00           H  
HETATM   13  H1  UNL     1       2.700  -1.949  -1.361  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.944  -2.084   0.114  1.00  0.00           H  
HETATM   15  H   UNL     1       0.651  -0.264   1.079  1.00  0.00           H  
HETATM   16  H   UNL     1       0.717   1.334   0.296  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.552   0.438  -1.637  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.618  -1.159  -0.854  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.232  -0.753   2.178  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.003  -0.581   2.213  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.247  -1.791   1.149  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.844  -0.194   0.758  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.778   1.403  -0.024  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.566   0.038  -0.852  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.316   0.473  -1.798  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.381  -1.124  -1.015  1.00  0.00           H  
HETATM   27  HXT UNL     1       4.384   1.775   0.446  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   27                                                 
CONECT    4    2    5    6   12                                       
CONECT    5    4   13   14                                            
CONECT    6    4    7   15   16                                       
CONECT    7    6    8   17   18                                       
CONECT    8    7    9   11                                            
CONECT    9    8   19   20   21                                       
CONECT   10   11   22   23   24                                       
CONECT   11    8   10   25   26                                       
CONECT   12    4                                                      
CONECT   13    5                                                      
CONECT   14    5                                                      
CONECT   15    6                                                      
CONECT   16    6                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27    3                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
