COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.332   0.934   3.396  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.008   0.450   3.750  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.289  -0.859   3.012  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.216  -0.625   1.525  1.00  0.00           C  
HETATM    5  C   UNL     1       0.985  -0.777   0.860  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.353  -0.263   0.827  1.00  0.00           C  
HETATM    7  C   UNL     1       1.052  -0.562  -0.503  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.285  -0.043  -0.535  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.083  -0.195  -1.202  1.00  0.00           C  
HETATM   10  I   UNL     1       0.017   0.130  -3.269  1.00  0.00           I  
HETATM   11  C   UNL     1      -0.081   0.216   5.237  1.00  0.00           C  
HETATM   12  O   UNL     1       0.911  -0.105   5.847  1.00  0.00           O  
HETATM   13  OXT UNL     1      -1.248   0.364   5.883  1.00  0.00           O  
HETATM   14  H1  UNL     1       1.368   0.977   2.388  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.983   0.216   3.678  1.00  0.00           H  
HETATM   16  HA  UNL     1      -0.750   1.195   3.463  1.00  0.00           H  
HETATM   17  H   UNL     1       0.452  -1.604   3.299  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.284  -1.218   3.275  1.00  0.00           H  
HETATM   19  H   UNL     1       1.871  -1.064   1.406  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.292  -0.144   1.347  1.00  0.00           H  
HETATM   21  H   UNL     1       1.991  -0.680  -1.023  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.172   0.244  -1.081  1.00  0.00           H  
HETATM   23  HXT UNL     1      -1.294   0.213   6.837  1.00  0.00           H  
CONECT    1    2   14   15                                            
CONECT    2    1    3   11   16                                       
CONECT    3    2    4   17   18                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4    7   19                                       
CONECT    6    4    8    8   20                                       
CONECT    7    5    9    9   21                                       
CONECT    8    6    6    9   22                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9                                                      
CONECT   11    2   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   23                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
