COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.578   1.098  -1.188  1.00  0.00           N  
HETATM    2  CA  UNL     1       2.128  -0.075  -0.427  1.00  0.00           C  
HETATM    3  C   UNL     1       3.318  -0.927  -0.067  1.00  0.00           C  
HETATM    4  O   UNL     1       4.428  -0.449  -0.075  1.00  0.00           O  
HETATM    5  C   UNL     1       1.425   0.386   0.851  1.00  0.00           C  
HETATM    6  C   UNL     1       0.167   1.134   0.491  1.00  0.00           C  
HETATM    7  N   UNL     1       0.032   2.493   0.361  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.045   0.595   0.228  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.254   2.737   0.030  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.892   1.601  -0.048  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.908  -2.313  -0.286  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.102  -1.046  -0.171  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.629   0.029  -0.371  1.00  0.00           O  
HETATM   14  S   UNL     1      -1.443  -1.121   0.243  1.00  0.00           S  
HETATM   15  H1  UNL     1       1.793   1.651  -1.497  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.223   1.655  -0.647  1.00  0.00           H  
HETATM   17  HA  UNL     1       1.434  -0.658  -1.033  1.00  0.00           H  
HETATM   18  H   UNL     1       1.170  -0.483   1.459  1.00  0.00           H  
HETATM   19  H   UNL     1       2.089   1.041   1.415  1.00  0.00           H  
HETATM   20  H   UNL     1       0.730   3.155   0.484  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.684   3.713  -0.144  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.936  -2.067  -0.555  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.474  -2.952  -1.055  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.899  -2.838   0.670  1.00  0.00           H  
HETATM   25  OXT UNL     1       3.145  -2.217   0.263  1.00  0.00           O  
HETATM   26  HXT UNL     1       3.938  -2.723   0.486  1.00  0.00           H  
CONECT    1    2   15   16                                            
CONECT    2    3    5    1   17                                       
CONECT    3    4    4    2   25                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   18   19                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6    9   20                                            
CONECT    8    6    6   14   10                                       
CONECT    9    7   10   10   21                                       
CONECT   10    8    9    9                                            
CONECT   11   12   22   23   24                                       
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14    8   12                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    7                                                      
CONECT   21    9                                                      
CONECT   22   11                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25    3   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
