COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.280  -0.618   0.436  1.00  0.00           C  
HETATM    2  CA  UNL     1      -3.358   0.044  -0.555  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.912  -0.085  -0.072  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.967   0.476  -1.136  1.00  0.00           C  
HETATM    5  C   UNL     1       0.457   0.349  -0.659  1.00  0.00           C  
HETATM    6  C   UNL     1       3.476  -1.615  -0.484  1.00  0.00           C  
HETATM    7  C   UNL     1       3.978   0.754   0.869  1.00  0.00           C  
HETATM    8  C   UNL     1       2.728   0.545   0.293  1.00  0.00           C  
HETATM    9  C   UNL     1       2.457  -0.645  -0.393  1.00  0.00           C  
HETATM   10  C   UNL     1       4.693  -1.393   0.086  1.00  0.00           C  
HETATM   11  C   UNL     1       4.954  -0.212   0.765  1.00  0.00           C  
HETATM   12  N   UNL     1       1.202  -0.668  -0.879  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.709   1.465  -0.677  1.00  0.00           N  
HETATM   14  O   UNL     1      -4.888   0.052   1.237  1.00  0.00           O  
HETATM   15  S   UNL     1       1.281   1.547   0.234  1.00  0.00           S  
HETATM   16  HA  UNL     1      -3.461  -0.440  -1.526  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.788   0.474   0.856  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.680  -1.135   0.104  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.091  -0.083  -2.063  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.199   1.526  -1.311  1.00  0.00           H  
HETATM   21  H   UNL     1       3.289  -2.541  -1.008  1.00  0.00           H  
HETATM   22  H   UNL     1       4.183   1.674   1.397  1.00  0.00           H  
HETATM   23  H   UNL     1       5.464  -2.145   0.008  1.00  0.00           H  
HETATM   24  H   UNL     1       5.924  -0.049   1.212  1.00  0.00           H  
HETATM   25  H1  UNL     1      -4.637   1.577  -1.056  1.00  0.00           H  
HETATM   26  H2  UNL     1      -3.622   1.936   0.211  1.00  0.00           H  
HETATM   27  OXT UNL     1      -4.431  -1.952   0.425  1.00  0.00           O  
HETATM   28  HXT UNL     1      -5.033  -2.331   1.080  1.00  0.00           H  
CONECT    1    2   14   14   27                                       
CONECT    2   13    1    3   16                                       
CONECT    3    2    4   17   18                                       
CONECT    4    5    3   19   20                                       
CONECT    5   15   12   12    4                                       
CONECT    6   10    9    9   21                                       
CONECT    7   11    8    8   22                                       
CONECT    8    7    7    9   15                                       
CONECT    9    6    6    8   12                                       
CONECT   10   11   11    6   23                                       
CONECT   11   10   10    7   24                                       
CONECT   12    9    5    5                                            
CONECT   13    2   25   26                                            
CONECT   14    1    1                                                 
CONECT   15    8    5                                                 
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27    1   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
