COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.592   2.889   0.094  1.00  0.00           O  
HETATM    2  C   UNL     1       6.310   1.575  -0.002  1.00  0.00           C  
HETATM    3  O   UNL     1       7.212   0.762  -0.060  1.00  0.00           O  
HETATM    4  C   UNL     1       4.907   1.122  -0.036  1.00  0.00           C  
HETATM    5  C   UNL     1       3.869   2.058   0.025  1.00  0.00           C  
HETATM    6  C   UNL     1       2.569   1.643  -0.005  1.00  0.00           C  
HETATM    7  C   UNL     1       2.269   0.280  -0.098  1.00  0.00           C  
HETATM    8  C   UNL     1       0.866  -0.165  -0.132  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.049   0.438   0.647  1.00  0.00           C  
HETATM   10  C   UNL     1       0.385   1.465   1.661  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.475   0.095   0.509  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.924  -1.191   0.823  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.259  -1.497   0.687  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.166  -0.541   0.243  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.731   0.731  -0.065  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.389   1.052   0.070  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.663   1.814  -0.542  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.952   2.776   0.613  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.000   2.585  -1.685  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.977   1.213  -1.036  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.516   0.271   0.047  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.609  -0.955   0.115  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.000  -1.806   1.325  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.785  -1.783  -1.160  1.00  0.00           C  
HETATM   25  C   UNL     1       3.304  -0.662  -0.161  1.00  0.00           C  
HETATM   26 BR   UNL     1       2.901  -2.505  -0.287  1.00  0.00          Br  
HETATM   27  C   UNL     1       4.614  -0.242  -0.135  1.00  0.00           C  
HETATM   28  H   UNL     1       7.527   3.137   0.112  1.00  0.00           H  
HETATM   29  H   UNL     1       4.097   3.111   0.097  1.00  0.00           H  
HETATM   30  H   UNL     1       1.770   2.369   0.043  1.00  0.00           H  
HETATM   31  H   UNL     1       0.572  -0.975  -0.782  1.00  0.00           H  
HETATM   32  H   UNL     1       0.405   2.450   1.195  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.318   1.472   2.495  1.00  0.00           H  
HETATM   34  H   UNL     1       1.380   1.216   2.028  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.227  -1.940   1.169  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.606  -2.491   0.927  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.049   2.049  -0.171  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.018   3.222   0.956  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.627   3.561   0.272  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.416   2.229   1.434  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.783   1.901  -2.506  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.671   3.369  -2.032  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.071   3.032  -1.330  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.698   2.009  -1.223  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.802   0.652  -1.955  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.516   0.782   1.010  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.532  -0.035  -0.205  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.866  -1.223   2.237  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.043  -2.107   1.236  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.367  -2.692   1.365  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.154  -2.670  -1.107  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.828  -2.085  -1.256  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.499  -1.184  -2.024  1.00  0.00           H  
HETATM   54  H   UNL     1       5.415  -0.965  -0.187  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   27                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6   25    8                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   32   33   34                                       
CONECT   11    9   12   12   16                                       
CONECT   12   11   11   13   35                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   15   22                                       
CONECT   15   16   16   14   17                                       
CONECT   16   11   15   15   37                                       
CONECT   17   19   15   20   18                                       
CONECT   18   17   38   39   40                                       
CONECT   19   17   41   42   43                                       
CONECT   20   17   21   44   45                                       
CONECT   21   22   20   46   47                                       
CONECT   22   24   14   21   23                                       
CONECT   23   22   48   49   50                                       
CONECT   24   22   51   52   53                                       
CONECT   25   27   27    7   26                                       
CONECT   26   25                                                      
CONECT   27    4   25   25   54                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
