COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.449   1.652  -0.092  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.890   0.330  -0.024  1.00  0.00           C  
HETATM    3  C   UNL     1       0.038  -0.709   0.042  1.00  0.00           C  
HETATM    4  C   UNL     1       1.390  -0.428   0.039  1.00  0.00           C  
HETATM    5  C   UNL     1       1.829   0.887  -0.029  1.00  0.00           C  
HETATM    6  C   UNL     1       0.906   1.929  -0.095  1.00  0.00           C  
HETATM    7  O   UNL     1       1.586   3.111  -0.153  1.00  0.00           O  
HETATM    8  C   UNL     1       2.930   2.763  -0.535  1.00  0.00           C  
HETATM    9  O   UNL     1       3.087   1.418  -0.046  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.339   0.031  -0.020  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.340   0.894   0.314  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.557   0.212   0.182  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.306  -1.013  -0.215  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.920  -1.158  -0.357  1.00  0.00           C  
HETATM   15 BR   UNL     1       2.646  -1.839   0.128  1.00  0.00          Br  
HETATM   16  C   UNL     1      -3.173   2.287   0.736  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.262  -2.006  -0.459  1.00  0.00           N  
HETATM   18  H   UNL     1      -1.166   2.459  -0.147  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.300  -1.733   0.095  1.00  0.00           H  
HETATM   20  H   UNL     1       3.039   2.792  -1.619  1.00  0.00           H  
HETATM   21  H   UNL     1       3.648   3.430  -0.059  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.402  -2.052  -0.673  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.091   2.926  -0.144  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.036   2.593   1.327  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.269   2.379   1.337  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.205  -1.813  -0.337  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.982  -2.888  -0.751  1.00  0.00           H  
CONECT    1    2    2    6   18                                       
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    4   19                                       
CONECT    4    3    3    5   15                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   20   21                                       
CONECT    9    5    8                                                 
CONECT   10    2   11   14   14                                       
CONECT   11   10   12   16                                            
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   17                                       
CONECT   14   10   10   13   22                                       
CONECT   15    4                                                      
CONECT   16   11   23   24   25                                       
CONECT   17   13   26   27                                            
CONECT   18    1                                                      
CONECT   19    3                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22   14                                                      
CONECT   23   16                                                      
CONECT   24   16                                                      
CONECT   25   16                                                      
CONECT   26   17                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
