COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       4.245   1.855  -0.002  1.00  0.00          Br  
HETATM    2  C   UNL     1       3.666   0.055  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       4.597  -0.970   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.181  -2.290   0.004  1.00  0.00           C  
HETATM    5  C   UNL     1       2.836  -2.592   0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       2.316  -0.235  -0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       1.891  -1.564   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1       0.448  -1.882   0.002  1.00  0.00           C  
HETATM    9  O   UNL     1       0.080  -3.041   0.004  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.461  -0.887  -0.001  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.892  -1.202  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.700   0.097  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.194  -0.231  -0.005  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.970   1.016  -0.008  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.413   0.739  -0.008  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.777  -0.069  -1.255  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.778  -0.063   1.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.186   2.059  -0.012  1.00  0.00           C  
HETATM   19  H   UNL     1       5.652  -0.738  -0.001  1.00  0.00           H  
HETATM   20  H   UNL     1       4.912  -3.085   0.006  1.00  0.00           H  
HETATM   21  H   UNL     1       2.513  -3.623   0.007  1.00  0.00           H  
HETATM   22  H   UNL     1       1.591   0.565  -0.001  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.168   0.038  -0.004  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.136  -1.784  -0.890  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.137  -1.779   0.890  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.456   0.680   0.884  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.455   0.675  -0.896  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.439  -0.813  -0.893  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.439  -0.809   0.887  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.715   1.603   0.772  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.226  -1.010  -1.253  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.847  -0.275  -1.255  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.517   0.502  -2.147  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.519   0.513   2.132  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.849  -0.268   1.243  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.227  -1.003   1.246  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.926   2.630  -0.903  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.257   1.853  -0.012  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.927   2.635   0.877  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    6    1                                       
CONECT    3    4    2    2   19                                       
CONECT    4    5    5    3   20                                       
CONECT    5    4    4    7   21                                       
CONECT    6    7    7    2   22                                       
CONECT    7    5    8    6    6                                       
CONECT    8   10    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   23                                            
CONECT   11   10   12   24   25                                       
CONECT   12   11   13   26   27                                       
CONECT   13   12   14   28   29                                       
CONECT   14   13   15   30                                            
CONECT   15   16   14   18   17                                       
CONECT   16   15   31   32   33                                       
CONECT   17   15   34   35   36                                       
CONECT   18   15   37   38   39                                       
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
