COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.402  -1.157  -0.001  1.00  0.00           O  
HETATM    2  C   UNL     1       6.297   0.047  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       4.932   0.685  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       3.859  -0.407  -0.001  1.00  0.00           C  
HETATM    5  N   UNL     1       2.532   0.214  -0.001  1.00  0.00           N  
HETATM    6  C   UNL     1       1.428  -0.559  -0.001  1.00  0.00           C  
HETATM    7  O   UNL     1       1.533  -1.770   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.090   0.066  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.056  -0.733   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.303  -0.146   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -3.855  -1.226   0.001  1.00  0.00          Br  
HETATM   12  C   UNL     1      -2.420   1.240  -0.001  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.649   1.815  -0.001  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.698   3.243  -0.001  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.282   2.037  -0.001  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.033   1.458   0.004  1.00  0.00           C  
HETATM   17  H   UNL     1       4.820   1.304   0.888  1.00  0.00           H  
HETATM   18  H   UNL     1       4.820   1.303  -0.892  1.00  0.00           H  
HETATM   19  H   UNL     1       3.971  -1.026  -0.891  1.00  0.00           H  
HETATM   20  H   UNL     1       3.971  -1.025   0.889  1.00  0.00           H  
HETATM   21  H   UNL     1       2.448   1.180  -0.002  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.965  -1.809   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.737   3.572  -0.001  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.196   3.624   0.889  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.197   3.623  -0.891  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.378   3.113  -0.001  1.00  0.00           H  
HETATM   27  H   UNL     1       0.851   2.078   0.009  1.00  0.00           H  
HETATM   28  O   UNL     1       7.398   0.816   0.003  1.00  0.00           O  
HETATM   29  H   UNL     1       8.251   0.361   0.007  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   28                                       
CONECT    3    4    2   17   18                                       
CONECT    4    5    3   19   20                                       
CONECT    5    4    6   21                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   16   16    9                                       
CONECT    9    8   10   10   22                                       
CONECT   10    9    9   12   11                                       
CONECT   11   10                                                      
CONECT   12   15   15   10   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   23   24   25                                       
CONECT   15   16   12   12   26                                       
CONECT   16    8    8   15   27                                       
CONECT   17    3                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    9                                                      
CONECT   23   14                                                      
CONECT   24   14                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28    2   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
