COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.827   0.809  -0.444  1.00  0.00           C  
HETATM    2  O   UNL     1       0.310  -2.301   0.735  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.738  -2.082   0.158  1.00  0.00           C  
HETATM    4  OXT UNL     1      -1.392  -3.089  -0.455  1.00  0.00           O  
HETATM    5  CA  UNL     1      -1.291  -0.721   0.129  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.677   0.325   0.726  1.00  0.00           C  
HETATM    7  C   UNL     1       0.621   0.269   1.489  1.00  0.00           C  
HETATM    8  C   UNL     1       1.770   0.515   0.545  1.00  0.00           C  
HETATM    9  C   UNL     1       2.290   1.710   0.263  1.00  0.00           C  
HETATM   10  C   UNL     1       3.344   1.690  -0.635  1.00  0.00           C  
HETATM   11  C   UNL     1       3.678   0.479  -1.083  1.00  0.00           C  
HETATM   12  S   UNL     1       2.633  -0.730  -0.348  1.00  0.00           S  
HETATM   13  S   UNL     1      -1.656   1.765   0.459  1.00  0.00           S  
HETATM   14  N   UNL     1      -3.983   1.303  -1.023  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.438  -0.425  -0.489  1.00  0.00           N  
HETATM   16  HXT UNL     1      -0.989  -3.967  -0.409  1.00  0.00           H  
HETATM   17  H   UNL     1       0.619   1.033   2.266  1.00  0.00           H  
HETATM   18  H   UNL     1       0.732  -0.714   1.947  1.00  0.00           H  
HETATM   19  H   UNL     1       1.919   2.624   0.702  1.00  0.00           H  
HETATM   20  H   UNL     1       3.855   2.587  -0.950  1.00  0.00           H  
HETATM   21  H   UNL     1       4.471   0.272  -1.786  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.200   2.245  -0.946  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.577   0.706  -1.505  1.00  0.00           H  
CONECT    1   15   15   13   14                                       
CONECT    2    3    3                                                 
CONECT    3    2    2    4    5                                       
CONECT    4    3   16                                                 
CONECT    5    3    6    6   15                                       
CONECT    6    7    5    5   13                                       
CONECT    7    8    6   17   18                                       
CONECT    8    9    9    7   12                                       
CONECT    9    8    8   10   19                                       
CONECT   10    9   11   11   20                                       
CONECT   11   10   10   12   21                                       
CONECT   12    8   11                                                 
CONECT   13    6    1                                                 
CONECT   14    1   22   23                                            
CONECT   15    5    1    1                                            
CONECT   16    4                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   14                                                      
CONECT   23   14                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
