COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.650  -1.341  -0.131  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.434   0.014   0.089  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.673   0.610   0.291  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.818   1.971   0.120  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.737   2.757  -0.253  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.501   2.188  -0.459  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.337   0.811  -0.290  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.199  -0.100  -0.421  1.00  0.00           C  
HETATM    9  C   UNL     1       3.449   0.864   0.082  1.00  0.00           C  
HETATM   10  N   UNL     1       1.449   1.808   1.089  1.00  0.00           N  
HETATM   11  CA  UNL     1       2.011   0.608   0.454  1.00  0.00           C  
HETATM   12  O   UNL     1       3.853   1.997  -0.022  1.00  0.00           O  
HETATM   13  C   UNL     1       1.209   0.276  -0.806  1.00  0.00           C  
HETATM   14  S   UNL     1       0.331  -2.805  -0.143  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.856  -4.095   0.326  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.984  -1.288   0.178  1.00  0.00           N  
HETATM   17  H   UNL     1      -4.521   0.009   0.581  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.783   2.430   0.279  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.867   3.822  -0.382  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.661   2.802  -0.750  1.00  0.00           H  
HETATM   21  H1  UNL     1       1.486   2.599   0.464  1.00  0.00           H  
HETATM   22  H2  UNL     1       0.505   1.641   1.406  1.00  0.00           H  
HETATM   23  HA  UNL     1       1.959  -0.229   1.150  1.00  0.00           H  
HETATM   24  H   UNL     1       1.679  -0.560  -1.325  1.00  0.00           H  
HETATM   25  H   UNL     1       1.187   1.145  -1.463  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.665  -4.127  -0.404  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.351  -5.061   0.352  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.264  -3.872   1.312  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.531  -2.052   0.422  1.00  0.00           H  
HETATM   30  OXT UNL     1       4.280  -0.168  -0.133  1.00  0.00           O  
HETATM   31  HXT UNL     1       5.193   0.045  -0.369  1.00  0.00           H  
CONECT    1   16    8    8   14                                       
CONECT    2    3    3    7   16                                       
CONECT    3    4    2    2   17                                       
CONECT    4    5    5    3   18                                       
CONECT    5    4    4    6   19                                       
CONECT    6    5    7    7   20                                       
CONECT    7    6    6    2    8                                       
CONECT    8    7    1    1   13                                       
CONECT    9   11   12   12   30                                       
CONECT   10   11   21   22                                            
CONECT   11   13    9   10   23                                       
CONECT   12    9    9                                                 
CONECT   13    8   11   24   25                                       
CONECT   14    1   15                                                 
CONECT   15   14   26   27   28                                       
CONECT   16    2    1   29                                            
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30    9   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
