COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.872   0.898  -0.056  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.514   0.961  -0.057  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.776  -0.022  -0.702  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.398   0.039  -0.705  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.747   1.088  -0.059  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.265   1.154  -0.056  1.00  0.00           C  
HETATM    7  N   UNL     1       0.473   2.274  -0.101  1.00  0.00           N  
HETATM    8  C   UNL     1       1.758   1.949  -0.082  1.00  0.00           C  
HETATM    9  C   UNL     1       2.930   2.731  -0.115  1.00  0.00           C  
HETATM   10  C   UNL     1       4.144   2.119  -0.088  1.00  0.00           C  
HETATM   11  C   UNL     1       4.214   0.714  -0.027  1.00  0.00           C  
HETATM   12  O   UNL     1       5.426   0.096   0.001  1.00  0.00           O  
HETATM   13  C   UNL     1       3.080  -0.024   0.005  1.00  0.00           C  
HETATM   14  N   UNL     1       1.855   0.583  -0.022  1.00  0.00           N  
HETATM   15  C   UNL     1       0.582   0.087  -0.001  1.00  0.00           C  
HETATM   16  I   UNL     1       0.034  -1.934   0.087  1.00  0.00           I  
HETATM   17  C   UNL     1      -2.491   2.074   0.587  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.869   2.010   0.582  1.00  0.00           C  
HETATM   19  H   UNL     1      -6.243   0.408   0.690  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.281  -0.836  -1.201  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.824  -0.726  -1.206  1.00  0.00           H  
HETATM   22  H   UNL     1       2.865   3.809  -0.163  1.00  0.00           H  
HETATM   23  H   UNL     1       5.049   2.707  -0.114  1.00  0.00           H  
HETATM   24  H   UNL     1       6.178   0.704  -0.025  1.00  0.00           H  
HETATM   25  H   UNL     1       3.143  -1.101   0.052  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.989   2.888   1.088  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.446   2.774   1.083  1.00  0.00           H  
CONECT    1    2   19                                                 
CONECT    2   18   18    3    1                                       
CONECT    3    4    4    2   20                                       
CONECT    4    5    3    3   21                                       
CONECT    5    6   17   17    4                                       
CONECT    6    7   15   15    5                                       
CONECT    7    8    8    6                                            
CONECT    8    9   14    7    7                                       
CONECT    9   10   10    8   22                                       
CONECT   10   11    9    9   23                                       
CONECT   11   12   10   13   13                                       
CONECT   12   11   24                                                 
CONECT   13   11   11   14   25                                       
CONECT   14   13    8   15                                            
CONECT   15   14    6    6   16                                       
CONECT   16   15                                                      
CONECT   17    5    5   18   26                                       
CONECT   18   17    2    2   27                                       
CONECT   19    1                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   17                                                      
CONECT   27   18                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
