COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.079   2.130   0.023  1.00  0.00           C  
HETATM    2  O   UNL     1       1.028   0.517   2.401  1.00  0.00           O  
HETATM    3  N   UNL     1       1.990  -1.071   1.158  1.00  0.00           N  
HETATM    4 BR   UNL     1      -3.195  -0.184  -0.018  1.00  0.00          Br  
HETATM    5  C   UNL     1       1.555   2.242   0.102  1.00  0.00           C  
HETATM    6  C   UNL     1       0.937   0.843   0.042  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.585   0.999   0.042  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.239  -0.383  -0.017  1.00  0.00           C  
HETATM    9  C   UNL     1       1.317   0.091   1.303  1.00  0.00           C  
HETATM   10  C   UNL     1       2.316  -1.554  -0.046  1.00  0.00           C  
HETATM   11  C   UNL     1       1.346   0.202  -1.270  1.00  0.00           C  
HETATM   12  O   UNL     1       1.077   0.719  -2.333  1.00  0.00           O  
HETATM   13  N   UNL     1       2.020  -0.966  -1.211  1.00  0.00           N  
HETATM   14  O   UNL     1       2.927  -2.603  -0.084  1.00  0.00           O  
HETATM   15  H   UNL     1       3.519   3.126   0.065  1.00  0.00           H  
HETATM   16  H   UNL     1       3.443   1.535   0.861  1.00  0.00           H  
HETATM   17  H   UNL     1       3.359   1.648  -0.914  1.00  0.00           H  
HETATM   18  H   UNL     1       2.248  -1.567   1.950  1.00  0.00           H  
HETATM   19  H   UNL     1       1.274   2.723   1.038  1.00  0.00           H  
HETATM   20  H   UNL     1       1.190   2.836  -0.736  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.899   1.510   0.952  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.891   1.583  -0.826  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.934  -0.967   0.851  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.926  -0.895  -0.928  1.00  0.00           H  
HETATM   25  H   UNL     1       2.299  -1.391  -2.037  1.00  0.00           H  
CONECT    1    5   15   16   17                                       
CONECT    2    9    9                                                 
CONECT    3    9   10   18                                            
CONECT    4    8                                                      
CONECT    5    1    6   19   20                                       
CONECT    6    7    9    5   11                                       
CONECT    7    8    6   21   22                                       
CONECT    8    4    7   23   24                                       
CONECT    9    2    2    6    3                                       
CONECT   10    3   13   14   14                                       
CONECT   11    6   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   10   25                                            
CONECT   14   10   10                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25   13                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
