COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.557  -0.106  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       0.145  -0.549  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.164  -1.916  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.206  -0.017   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.190  -4.133  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.483  -3.783  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.510  -2.315  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.525  -1.359   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.883   0.389   0.007  1.00  0.00           C  
HETATM   10  N   UNL     1       4.165   0.672  -0.003  1.00  0.00           N  
HETATM   11  N   UNL     1       3.266   2.997  -0.004  1.00  0.00           N  
HETATM   12  C   UNL     1       1.881   1.262  -0.001  1.00  0.00           C  
HETATM   13  N   UNL     1       1.163   2.410   0.000  1.00  0.00           N  
HETATM   14 BR   UNL     1      -3.586   1.277   0.000  1.00  0.00          Br  
HETATM   15  O   UNL     1       0.586  -3.035  -0.002  1.00  0.00           O  
HETATM   16  N   UNL     1       2.549  -0.994   0.002  1.00  0.00           N  
HETATM   17  C   UNL     1       3.816  -0.606   0.002  1.00  0.00           C  
HETATM   18  N   UNL     1       4.811  -1.570   0.006  1.00  0.00           N  
HETATM   19  C   UNL     1       3.241   1.625  -0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       1.973   3.429   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1       0.176  -5.149  -0.002  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.335  -4.447  -0.001  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.560  -1.669  -0.005  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.645   1.443   0.007  1.00  0.00           H  
HETATM   25  H   UNL     1       4.059   3.557  -0.005  1.00  0.00           H  
HETATM   26  H   UNL     1       4.574  -2.511   0.009  1.00  0.00           H  
HETATM   27  H   UNL     1       5.744  -1.304   0.005  1.00  0.00           H  
HETATM   28  H   UNL     1       1.666   4.464  -0.001  1.00  0.00           H  
CONECT    1   16    2   12   12                                       
CONECT    2    9    1    3    3                                       
CONECT    3    2    2    7   15                                       
CONECT    4   14    9    9    8                                       
CONECT    5   15    6    6   21                                       
CONECT    6    7    5    5   22                                       
CONECT    7    8    8    3    6                                       
CONECT    8    4    7    7   23                                       
CONECT    9    4    4    2   24                                       
CONECT   10   17   19   19                                            
CONECT   11   19   20   25                                            
CONECT   12    1    1   19   13                                       
CONECT   13   12   20   20                                            
CONECT   14    4                                                      
CONECT   15    3    5                                                 
CONECT   16   17   17    1                                            
CONECT   17   18   16   16   10                                       
CONECT   18   17   26   27                                            
CONECT   19   10   10   12   11                                       
CONECT   20   11   13   13   28                                       
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   18                                                      
CONECT   27   18                                                      
CONECT   28   20                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
