COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.650   1.888   0.097  1.00  0.00           N  
HETATM    2  CA  UNL     1       1.526   0.476   0.482  1.00  0.00           C  
HETATM    3  C   UNL     1       0.283  -0.125  -0.176  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.969   0.557   0.380  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.443  -0.156  -0.401  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.800   0.765   0.373  1.00  0.00           C  
HETATM    7  C   UNL     1       2.750  -0.277   0.027  1.00  0.00           C  
HETATM    8  O   UNL     1       3.450   0.178  -0.845  1.00  0.00           O  
HETATM    9  OXT UNL     1       3.061  -1.455   0.592  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.545  -1.530  -0.055  1.00  0.00           O  
HETATM   11  H1  UNL     1       1.735   1.984  -0.903  1.00  0.00           H  
HETATM   12  H2  UNL     1       0.872   2.428   0.447  1.00  0.00           H  
HETATM   13  HA  UNL     1       1.436   0.401   1.566  1.00  0.00           H  
HETATM   14  H   UNL     1       0.332   0.029  -1.254  1.00  0.00           H  
HETATM   15  H   UNL     1       0.240  -1.193   0.036  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.018   0.403   1.457  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.925   1.625   0.167  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.686   1.828   0.161  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.752   0.415  -0.027  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.779   0.606   1.451  1.00  0.00           H  
HETATM   21  HXT UNL     1       3.855  -1.901   0.267  1.00  0.00           H  
CONECT    1    2   11   12                                            
CONECT    2    1    3    7   13                                       
CONECT    3    2    4   14   15                                       
CONECT    4    3    5   16   17                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5   18   19   20                                       
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   21                                                 
CONECT   10    5    5                                                 
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    9                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
