COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.812  -0.161   1.229  1.00  0.00           N  
HETATM    2  C   UNL     1       1.258  -1.492   0.914  1.00  0.00           C  
HETATM    3  C   UNL     1       1.696  -1.745  -0.540  1.00  0.00           C  
HETATM    4  C   UNL     1       3.142  -1.174  -0.538  1.00  0.00           C  
HETATM    5  CA  UNL     1       3.162  -0.152   0.616  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.238  -1.565   1.109  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.974  -0.654   0.126  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.613  -1.092  -1.298  1.00  0.00           C  
HETATM    9  C   UNL     1       0.884  -0.881  -1.507  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.384  -0.772   0.323  1.00  0.00           O  
HETATM   11  S   UNL     1      -3.150   0.525   0.106  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.341   1.563   0.641  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.218   0.763  -1.396  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.483   0.280   0.533  1.00  0.00           O  
HETATM   15  C   UNL     1       3.474   1.221   0.080  1.00  0.00           C  
HETATM   16  O   UNL     1       2.580   2.009  -0.120  1.00  0.00           O  
HETATM   17  H   UNL     1       1.726  -2.234   1.561  1.00  0.00           H  
HETATM   18  H   UNL     1       1.668  -2.803  -0.800  1.00  0.00           H  
HETATM   19  H   UNL     1       3.864  -1.969  -0.354  1.00  0.00           H  
HETATM   20  H   UNL     1       3.355  -0.679  -1.486  1.00  0.00           H  
HETATM   21  HA  UNL     1       3.908  -0.443   1.356  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.568  -2.593   0.957  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.481  -1.260   2.127  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.666   0.380   0.282  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.856  -2.146  -1.430  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.171  -0.493  -2.018  1.00  0.00           H  
HETATM   27  H   UNL     1       1.125   0.169  -1.339  1.00  0.00           H  
HETATM   28  H   UNL     1       1.145  -1.148  -2.531  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.688   1.570  -1.646  1.00  0.00           H  
HETATM   30  H   UNL     1       1.235   0.572   0.843  1.00  0.00           H  
HETATM   31  OXT UNL     1       4.745   1.569  -0.175  1.00  0.00           O  
HETATM   32  HXT UNL     1       4.896   2.461  -0.518  1.00  0.00           H  
CONECT    1    2    5   30                                            
CONECT    2    1    3    6   17                                       
CONECT    3    2    4    9   18                                       
CONECT    4    3    5   19   20                                       
CONECT    5    1    4   15   21                                       
CONECT    6    2    7   22   23                                       
CONECT    7    6    8   10   24                                       
CONECT    8    7    9   25   26                                       
CONECT    9    3    8   27   28                                       
CONECT   10    7   11                                                 
CONECT   11   10   12   12   13                                       
CONECT   11   14   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   29                                                 
CONECT   14   11   11                                                 
CONECT   15    5   16   16   31                                       
CONECT   16   15   15                                                 
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   13                                                      
CONECT   30    1                                                      
CONECT   31   15   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
