COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.171   0.103   0.280  1.00  0.00           C  
HETATM    2  CA  UNL     1       2.427   0.377  -0.213  1.00  0.00           C  
HETATM    3  N   UNL     1       2.821   1.643  -0.042  1.00  0.00           N  
HETATM    4  C   UNL     1       2.005   2.440   0.547  1.00  0.00           C  
HETATM    5  C   UNL     1       3.260  -0.631  -0.868  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.941  -0.698   2.171  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.071  -0.275  -0.083  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.289   1.042   0.276  1.00  0.00           C  
HETATM    9  OXT UNL     1       4.483  -0.299  -1.330  1.00  0.00           O  
HETATM   10  O   UNL     1       2.849  -1.770  -0.996  1.00  0.00           O  
HETATM   11  S   UNL     1       0.525   1.588   0.973  1.00  0.00           S  
HETATM   12  N   UNL     1       0.529  -1.119   0.234  1.00  0.00           N  
HETATM   13  S   UNL     1      -0.989  -1.281   0.876  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.381  -2.627   0.644  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.707  -0.804  -1.190  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.556  -0.014  -1.943  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.769   1.305  -1.588  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.144   1.830  -0.472  1.00  0.00           C  
HETATM   19  H   UNL     1       2.197   3.484   0.748  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.793   1.456   1.142  1.00  0.00           H  
HETATM   21  HXT UNL     1       4.958  -1.031  -1.747  1.00  0.00           H  
HETATM   22  H   UNL     1       0.967  -1.882  -0.174  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.540  -1.834  -1.468  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.052  -0.427  -2.809  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.432   1.922  -2.176  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.310   2.861  -0.195  1.00  0.00           H  
CONECT    1   11    2    2   12                                       
CONECT    2    3    5    1    1                                       
CONECT    3    4    4    2                                            
CONECT    4    3    3   11   19                                       
CONECT    5   10   10    2    9                                       
CONECT    6   13   13                                                 
CONECT    7    8    8   15   13                                       
CONECT    8   18    7    7   20                                       
CONECT    9    5   21                                                 
CONECT   10    5    5                                                 
CONECT   11    4    1                                                 
CONECT   12    1   13   22                                            
CONECT   13    7   12    6    6                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   16   16    7   23                                       
CONECT   16   17   15   15   24                                       
CONECT   17   18   18   16   25                                       
CONECT   18   17   17    8   26                                       
CONECT   19    4                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   12                                                      
CONECT   23   15                                                      
CONECT   24   16                                                      
CONECT   25   17                                                      
CONECT   26   18                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
