COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.308   2.056  -0.423  1.00  0.00           C  
HETATM    2  C   UNL     1       2.342   0.132   0.789  1.00  0.00           C  
HETATM    3  C   UNL     1       4.278  -1.136   0.029  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.376  -0.467  -0.132  1.00  0.00           C  
HETATM    5  C   UNL     1       5.565  -1.874   0.296  1.00  0.00           C  
HETATM    6  C   UNL     1       1.350  -0.805   0.149  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.930  -1.428  -0.440  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.291  -0.893  -0.269  1.00  0.00           C  
HETATM    9  N   UNL     1       3.593  -0.585   1.050  1.00  0.00           N  
HETATM   10  N   UNL     1       0.034  -0.517   0.182  1.00  0.00           N  
HETATM   11  C   UNL     1       2.614   1.308  -0.151  1.00  0.00           C  
HETATM   12  C   UNL     1       3.988   3.367  -0.490  1.00  0.00           C  
HETATM   13  C   UNL     1       3.621   2.259   0.499  1.00  0.00           C  
HETATM   14  O   UNL     1       3.859  -1.039  -1.105  1.00  0.00           O  
HETATM   15  O   UNL     1       1.737  -1.817  -0.396  1.00  0.00           O  
HETATM   16 BR   UNL     1      -5.133   0.223   0.089  1.00  0.00          Br  
HETATM   17  H   UNL     1       0.590   1.379  -0.886  1.00  0.00           H  
HETATM   18  H   UNL     1       0.901   2.430   0.517  1.00  0.00           H  
HETATM   19  H   UNL     1       1.501   2.894  -1.093  1.00  0.00           H  
HETATM   20  H   UNL     1       1.935   0.505   1.729  1.00  0.00           H  
HETATM   21  H   UNL     1       5.972  -2.247  -0.644  1.00  0.00           H  
HETATM   22  H   UNL     1       6.283  -1.196   0.759  1.00  0.00           H  
HETATM   23  H   UNL     1       5.372  -2.711   0.966  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.863  -2.408   0.033  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.708  -1.522  -1.503  1.00  0.00           H  
HETATM   26  H   UNL     1       3.928  -0.662   1.957  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.275   0.292   0.618  1.00  0.00           H  
HETATM   28  H   UNL     1       3.021   0.934  -1.091  1.00  0.00           H  
HETATM   29  H   UNL     1       4.429   2.925  -1.384  1.00  0.00           H  
HETATM   30  H   UNL     1       3.090   3.921  -0.765  1.00  0.00           H  
HETATM   31  H   UNL     1       4.705   4.044  -0.027  1.00  0.00           H  
HETATM   32  H   UNL     1       3.179   2.700   1.392  1.00  0.00           H  
HETATM   33  H   UNL     1       4.519   1.705   0.773  1.00  0.00           H  
CONECT    1   11   17   18   19                                       
CONECT    2    6    9   11   20                                       
CONECT    3    5    9   14   14                                       
CONECT    4   16    8    8    8                                       
CONECT    5    3   21   22   23                                       
CONECT    6   10   15   15    2                                       
CONECT    7    8   10   24   25                                       
CONECT    8    4    4    4    7                                       
CONECT    9    3    2   26                                            
CONECT   10    7    6   27                                            
CONECT   11    2   13    1   28                                       
CONECT   12   13   29   30   31                                       
CONECT   13   12   11   32   33                                       
CONECT   14    3    3                                                 
CONECT   15    6    6                                                 
CONECT   16    4                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
