COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       0.571   0.271   5.477  1.00  0.00           B  
HETATM    2  O   UNL     1      -0.203   0.513   6.642  1.00  0.00           O  
HETATM    3  O   UNL     1       1.989   0.276   5.554  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.139  -0.002   4.105  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.531  -0.008   4.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.154  -0.249   2.820  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.402  -0.485   1.684  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.015  -0.481   1.752  1.00  0.00           C  
HETATM    9  C   UNL     1       0.619  -0.234   2.960  1.00  0.00           C  
HETATM   10  N   UNL     1       0.742  -0.720   0.599  1.00  0.00           N  
HETATM   11  C   UNL     1       0.292  -0.305  -0.600  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.718   0.361  -0.672  1.00  0.00           O  
HETATM   13  C   UNL     1       1.045  -0.669  -1.854  1.00  0.00           C  
HETATM   14  I   UNL     1       0.031   0.165  -3.571  1.00  0.00           I  
HETATM   15  H   UNL     1       0.420   0.656   7.368  1.00  0.00           H  
HETATM   16  H   UNL     1       2.219   0.462   6.475  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.121   0.176   4.913  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.233  -0.253   2.763  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.895  -0.673   0.742  1.00  0.00           H  
HETATM   20  H   UNL     1       1.697  -0.230   3.014  1.00  0.00           H  
HETATM   21  H   UNL     1       1.591  -1.184   0.665  1.00  0.00           H  
HETATM   22  H   UNL     1       2.057  -0.268  -1.800  1.00  0.00           H  
HETATM   23  H   UNL     1       1.088  -1.754  -1.950  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1   15                                                 
CONECT    3    1   16                                                 
CONECT    4    1    5    5    9                                       
CONECT    5    4    4    6   17                                       
CONECT    6    5    7    7   18                                       
CONECT    7    6    6    8   19                                       
CONECT    8    7    9    9   10                                       
CONECT    9    4    8    8   20                                       
CONECT   10    8   11   21                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   22   23                                       
CONECT   14   13                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   13                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
