COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.528  -4.480  -0.656  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.622  -3.616   1.102  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.784  -2.615   0.216  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.405  -1.170   0.414  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.931  -0.975   0.056  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.268   0.849  -0.014  1.00  0.00           C  
HETATM    7  C   UNL     1       3.207  -0.898  -1.176  1.00  0.00           C  
HETATM    8  C   UNL     1       7.501  -1.525   0.371  1.00  0.00           C  
HETATM    9  C   UNL     1       8.036  -1.017   1.712  1.00  0.00           C  
HETATM   10  C   UNL     1       5.799  -0.704   2.509  1.00  0.00           C  
HETATM   11  C   UNL     1       5.241  -1.209   1.176  1.00  0.00           C  
HETATM   12  C   UNL     1       5.673  -1.321  -1.205  1.00  0.00           C  
HETATM   13  C   UNL     1       4.469  -0.485  -1.555  1.00  0.00           C  
HETATM   14  C   UNL     1       4.629   0.696  -2.257  1.00  0.00           C  
HETATM   15  C   UNL     1       3.527   1.467  -2.580  1.00  0.00           C  
HETATM   16  C   UNL     1       2.263   1.059  -2.204  1.00  0.00           C  
HETATM   17  C   UNL     1       2.099  -0.127  -1.499  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.112   0.381  -0.683  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.603   2.558  -0.104  1.00  0.00           C  
HETATM   20  N   UNL     1       0.259   1.643  -0.522  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.906   2.187   0.166  1.00  0.00           C  
HETATM   22  O   UNL     1       7.080  -1.296   2.739  1.00  0.00           O  
HETATM   23  N   UNL     1       0.819  -0.546  -1.122  1.00  0.00           N  
HETATM   24  N   UNL     1       6.196  -0.902   0.102  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.352  -0.016  -0.436  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.562   0.430   0.248  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.085  -4.744   0.543  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.359  -3.162  -0.899  1.00  0.00           N  
HETATM   29 BR   UNL     1      -3.171   3.459   0.763  1.00  0.00          Br  
HETATM   30  H   UNL     1      -6.955  -5.197  -1.341  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.193  -3.526   2.089  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.021  -0.541  -0.229  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.566  -0.891   1.455  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.314  -1.604   0.699  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.770  -1.253  -0.986  1.00  0.00           H  
HETATM   36  H   UNL     1       3.082  -1.823  -0.632  1.00  0.00           H  
HETATM   37  H   UNL     1       8.200  -1.264  -0.423  1.00  0.00           H  
HETATM   38  H   UNL     1       7.385  -2.609   0.412  1.00  0.00           H  
HETATM   39  H   UNL     1       8.976  -1.519   1.943  1.00  0.00           H  
HETATM   40  H   UNL     1       8.203   0.059   1.653  1.00  0.00           H  
HETATM   41  H   UNL     1       5.901   0.381   2.473  1.00  0.00           H  
HETATM   42  H   UNL     1       5.120  -0.979   3.316  1.00  0.00           H  
HETATM   43  H   UNL     1       5.089  -2.287   1.230  1.00  0.00           H  
HETATM   44  H   UNL     1       4.290  -0.717   0.969  1.00  0.00           H  
HETATM   45  H   UNL     1       5.385  -2.372  -1.161  1.00  0.00           H  
HETATM   46  H   UNL     1       6.442  -1.187  -1.965  1.00  0.00           H  
HETATM   47  H   UNL     1       5.617   1.017  -2.552  1.00  0.00           H  
HETATM   48  H   UNL     1       3.656   2.389  -3.128  1.00  0.00           H  
HETATM   49  H   UNL     1       1.403   1.661  -2.457  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.290   3.584   0.025  1.00  0.00           H  
HETATM   51  H   UNL     1       0.584  -1.486  -1.168  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.225   1.066   0.559  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.599  -2.692  -1.713  1.00  0.00           H  
CONECT    1   28   27   27   30                                       
CONECT    2   27    3    3   31                                       
CONECT    3   28    4    2    2                                       
CONECT    4    5    3   32   33                                       
CONECT    5   26    4   34   35                                       
CONECT    6   25   26   21   21                                       
CONECT    7   13   17   17   36                                       
CONECT    8    9   24   37   38                                       
CONECT    9   22    8   39   40                                       
CONECT   10   22   11   41   42                                       
CONECT   11   10   24   43   44                                       
CONECT   12   24   13   45   46                                       
CONECT   13   12   14   14    7                                       
CONECT   14   13   13   15   47                                       
CONECT   15   14   16   16   48                                       
CONECT   16   15   15   17   49                                       
CONECT   17    7    7   16   23                                       
CONECT   18   23   25   25   20                                       
CONECT   19   20   20   21   50                                       
CONECT   20   18   19   19                                            
CONECT   21    6    6   19   29                                       
CONECT   22    9   10                                                 
CONECT   23   17   18   51                                            
CONECT   24    8   11   12                                            
CONECT   25   18   18    6                                            
CONECT   26    5    6   52                                            
CONECT   27    1    1    2                                            
CONECT   28    1    3   53                                            
CONECT   29   21                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
