COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.992   1.194   3.593  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.235   0.409   3.406  1.00  0.00           C  
HETATM    3  C   UNL     1       0.098  -0.894   2.678  1.00  0.00           C  
HETATM    4  C   UNL     1       0.702  -0.578   1.334  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.112  -0.444   0.226  1.00  0.00           C  
HETATM    6  C   UNL     1       0.439  -0.150  -1.006  1.00  0.00           C  
HETATM    7  I   UNL     1      -0.797   0.059  -2.684  1.00  0.00           I  
HETATM    8  C   UNL     1       1.812   0.000  -1.132  1.00  0.00           C  
HETATM    9  O   UNL     1       2.358   0.285  -2.344  1.00  0.00           O  
HETATM   10  C   UNL     1       2.628  -0.139  -0.019  1.00  0.00           C  
HETATM   11  C   UNL     1       2.072  -0.428   1.211  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.839   0.093   4.750  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.127  -0.028   5.719  1.00  0.00           O  
HETATM   14  OXT UNL     1      -2.168  -0.051   4.871  1.00  0.00           O  
HETATM   15  H1  UNL     1       1.415   1.292   2.683  1.00  0.00           H  
HETATM   16  H2  UNL     1       1.618   0.626   4.144  1.00  0.00           H  
HETATM   17  HA  UNL     1      -0.947   0.984   2.814  1.00  0.00           H  
HETATM   18  H   UNL     1       0.810  -1.468   3.271  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.812  -1.476   2.540  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.181  -0.562   0.325  1.00  0.00           H  
HETATM   21  H   UNL     1       2.553  -0.561  -2.768  1.00  0.00           H  
HETATM   22  H   UNL     1       3.698  -0.021  -0.114  1.00  0.00           H  
HETATM   23  H   UNL     1       2.706  -0.537   2.078  1.00  0.00           H  
HETATM   24  HXT UNL     1      -2.556  -0.254   5.734  1.00  0.00           H  
CONECT    1    2   15   16                                            
CONECT    2    1    3   12   17                                       
CONECT    3    2    4   18   19                                       
CONECT    4    3    5    5   11                                       
CONECT    5    4    4    6   20                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   10                                       
CONECT    9    8   21                                                 
CONECT   10    8   11   11   22                                       
CONECT   11    4   10   10   23                                       
CONECT   12    2   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   24                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    5                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   14                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
