COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.773   1.193  -0.992  1.00  0.00           O  
HETATM    2  C   UNL     1       1.815   1.094  -0.057  1.00  0.00           C  
HETATM    3  OXT UNL     1       1.935   1.679   0.994  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.591   0.255  -0.316  1.00  0.00           C  
HETATM    5  C   UNL     1       0.931  -1.241  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       1.797  -1.418   1.176  1.00  0.00           C  
HETATM    7  C   UNL     1       1.595  -1.868  -1.299  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.488   0.675   0.584  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.488   1.421   0.081  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.550   2.561  -0.329  1.00  0.00           O  
HETATM   11  CA  UNL     1      -2.498   0.320   0.214  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.846  -0.329  -1.057  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.404  -0.391   0.993  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.766  -1.911   0.189  1.00  0.00           S  
HETATM   15  H   UNL     1       3.539   1.743  -0.780  1.00  0.00           H  
HETATM   16  HA  UNL     1       0.273   0.389  -1.350  1.00  0.00           H  
HETATM   17  H   UNL     1       1.263  -1.037   2.047  1.00  0.00           H  
HETATM   18  H   UNL     1       2.017  -2.476   1.319  1.00  0.00           H  
HETATM   19  H   UNL     1       2.730  -0.867   1.053  1.00  0.00           H  
HETATM   20  H   UNL     1       2.519  -1.336  -1.524  1.00  0.00           H  
HETATM   21  H   UNL     1       1.820  -2.915  -1.095  1.00  0.00           H  
HETATM   22  H   UNL     1       0.920  -1.801  -2.152  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.579  -0.480   2.065  1.00  0.00           H  
HETATM   24  HA  UNL     1      -3.370   0.587   0.811  1.00  0.00           H  
HETATM   25  H1  UNL     1      -3.507   0.227  -1.579  1.00  0.00           H  
HETATM   26  H2  UNL     1      -2.020  -0.517  -1.605  1.00  0.00           H  
CONECT    1    2   15                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    8   16                                       
CONECT    5    4    6    7   14                                       
CONECT    6    5   17   18   19                                       
CONECT    7    5   20   21   22                                       
CONECT    8    4    9   13                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   13   24                                       
CONECT   12   11   25   26                                            
CONECT   13    8   11   14   23                                       
CONECT   14    5   13                                                 
CONECT   15    1                                                      
CONECT   16    4                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23   13                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
