COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.490   1.801  -0.157  1.00  0.00           N  
HETATM    2  CA  UNL     1      -2.480   0.368  -0.477  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.768  -0.260  -0.012  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.440   0.291   0.828  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.301  -0.305   0.228  1.00  0.00           C  
HETATM    6  C   UNL     1       0.011   0.245  -0.335  1.00  0.00           C  
HETATM    7  C   UNL     1       1.191  -0.427   0.371  1.00  0.00           C  
HETATM    8  C   UNL     1       2.503   0.123  -0.192  1.00  0.00           C  
HETATM    9  C   UNL     1       3.682  -0.549   0.514  1.00  0.00           C  
HETATM   10  S   UNL     1       5.238   0.103  -0.154  1.00  0.00           S  
HETATM   11  H1  UNL     1      -2.581   1.949   0.837  1.00  0.00           H  
HETATM   12  H2  UNL     1      -1.665   2.258  -0.517  1.00  0.00           H  
HETATM   13  HA  UNL     1      -2.381   0.237  -1.555  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.352  -0.098   1.298  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.344  -1.381   0.064  1.00  0.00           H  
HETATM   16  H   UNL     1       0.062   0.039  -1.404  1.00  0.00           H  
HETATM   17  H   UNL     1       0.055   1.322  -0.170  1.00  0.00           H  
HETATM   18  H   UNL     1       1.140  -0.221   1.440  1.00  0.00           H  
HETATM   19  H   UNL     1       1.147  -1.503   0.206  1.00  0.00           H  
HETATM   20  H   UNL     1       2.554  -0.083  -1.261  1.00  0.00           H  
HETATM   21  H   UNL     1       2.546   1.200  -0.027  1.00  0.00           H  
HETATM   22  H   UNL     1       3.631  -0.343   1.583  1.00  0.00           H  
HETATM   23  H   UNL     1       3.639  -1.625   0.349  1.00  0.00           H  
HETATM   24  H   UNL     1       6.171  -0.565   0.547  1.00  0.00           H  
HETATM   25  OXT UNL     1      -4.170  -1.432  -0.529  1.00  0.00           O  
HETATM   26  HXT UNL     1      -5.003  -1.796  -0.199  1.00  0.00           H  
CONECT    1    2   11   12                                            
CONECT    2    3    1    5   13                                       
CONECT    3    4    4    2   25                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   14   15                                       
CONECT    6    5    7   16   17                                       
CONECT    7    6    8   18   19                                       
CONECT    8    9    7   20   21                                       
CONECT    9   10    8   22   23                                       
CONECT   10    9   24                                                 
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25    3   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
