COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.783   0.356   0.548  1.00  0.00           O  
HETATM    2  C   UNL     1       4.021   0.070  -0.345  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.352   0.332  -1.619  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.702  -0.587  -0.028  1.00  0.00           C  
HETATM    5  N   UNL     1       2.767  -1.198   1.306  1.00  0.00           N  
HETATM    6  C   UNL     1       1.590   0.463  -0.055  1.00  0.00           C  
HETATM    7  C   UNL     1       0.257  -0.213   0.140  1.00  0.00           C  
HETATM    8  O   UNL     1       0.202  -1.416   0.285  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.975   0.585   0.153  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.911   1.982   0.090  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.071   2.724   0.103  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.304   2.095   0.179  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.385   0.718   0.242  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.228  -0.049   0.223  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.308  -1.436   0.280  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.329  -2.078  -0.322  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.125  -1.456  -0.993  1.00  0.00           O  
HETATM   18  HXT UNL     1       5.210   0.751  -1.773  1.00  0.00           H  
HETATM   19  HA  UNL     1       2.493  -1.357  -0.771  1.00  0.00           H  
HETATM   20  H1  UNL     1       3.451  -1.940   1.331  1.00  0.00           H  
HETATM   21  H2  UNL     1       2.960  -0.504   2.012  1.00  0.00           H  
HETATM   22  H   UNL     1       1.752   1.184   0.746  1.00  0.00           H  
HETATM   23  H   UNL     1       1.599   0.978  -1.015  1.00  0.00           H  
HETATM   24  H   UNL     1       0.047   2.477   0.032  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.020   3.802   0.054  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.208   2.687   0.189  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.350   0.237   0.302  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.629  -1.942   0.754  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.438  -3.146  -0.208  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   18                                                 
CONECT    4    2    6    5   19                                       
CONECT    5    4   20   21                                            
CONECT    6    4    7   22   23                                       
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   14                                       
CONECT   10    9    9   11   24                                       
CONECT   11   10   12   12   25                                       
CONECT   12   11   11   13   26                                       
CONECT   13   14   14   12   27                                       
CONECT   14    9   15   13   13                                       
CONECT   15   14   16   28                                            
CONECT   16   15   17   17   29                                       
CONECT   17   16   16                                                 
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
