COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.347   3.406  -0.049  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.633   1.805   0.104  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.272   2.085   0.030  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.888  -0.067   2.751  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.623  -0.452   1.493  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.855  -1.071   1.575  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.531  -1.425   0.423  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.975  -1.159  -0.820  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.738  -0.538  -0.906  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.132  -0.248  -2.254  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.063  -0.178   0.252  1.00  0.00           C  
HETATM   12  C   UNL     1       0.420   0.784   0.046  1.00  0.00           C  
HETATM   13  C   UNL     1       2.023  -0.860   0.031  1.00  0.00           C  
HETATM   14  C   UNL     1       3.371  -1.261  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1       3.683  -2.586   0.016  1.00  0.00           C  
HETATM   16  C   UNL     1       2.684  -3.555   0.099  1.00  0.00           C  
HETATM   17  C   UNL     1       1.370  -3.204   0.148  1.00  0.00           C  
HETATM   18  C   UNL     1       1.007  -1.846   0.113  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.600  -0.201   0.131  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.816   0.455   0.168  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.634   2.741   0.116  1.00  0.00           N  
HETATM   22  N   UNL     1       0.578   3.971  -1.250  1.00  0.00           N  
HETATM   23  N   UNL     1       1.692   0.435  -0.001  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.279  -1.479   0.166  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.641  -1.508  -1.952  1.00  0.00           O  
HETATM   26  O   UNL     1       0.650   3.998   0.971  1.00  0.00           O  
HETATM   27 BR   UNL     1       4.744   0.034  -0.131  1.00  0.00          Br  
HETATM   28  H   UNL     1      -3.176   0.942   3.047  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.142  -0.766   3.549  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.814  -0.100   2.569  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.290  -1.279   2.542  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.494  -1.909   0.491  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.448   0.740  -2.590  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.045  -0.275  -2.177  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.464  -0.998  -2.971  1.00  0.00           H  
HETATM   36  H   UNL     1       4.718  -2.891  -0.022  1.00  0.00           H  
HETATM   37  H   UNL     1       2.957  -4.599   0.126  1.00  0.00           H  
HETATM   38  H   UNL     1       0.608  -3.967   0.212  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.415   3.685   0.071  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.560   2.460   0.170  1.00  0.00           H  
HETATM   41  H   UNL     1       0.986   4.850  -1.302  1.00  0.00           H  
HETATM   42  H   UNL     1       0.337   3.499  -2.063  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.231  -0.821  -2.289  1.00  0.00           H  
CONECT    1    3   22   26   26                                       
CONECT    2   20    3    3   21                                       
CONECT    3   12    2    2    1                                       
CONECT    4    5   28   29   30                                       
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   25                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9   33   34   35                                       
CONECT   11    5   20    9    9                                       
CONECT   12   19   19   23    3                                       
CONECT   13   18   14   23   23                                       
CONECT   14   15   15   13   27                                       
CONECT   15   16   14   14   36                                       
CONECT   16   17   17   15   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   24   24   13                                       
CONECT   19   24   20   12   12                                       
CONECT   20   19   11    2                                            
CONECT   21    2   39   40                                            
CONECT   22    1   41   42                                            
CONECT   23   13   13   12                                            
CONECT   24   18   18   19                                            
CONECT   25    8   43                                                 
CONECT   26    1    1                                                 
CONECT   27   14                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
