COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.753   3.745   0.693  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.741   3.076   0.588  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.584   3.588  -0.158  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.596   4.842  -0.768  1.00  0.00           C  
HETATM    5  C   UNL     1       0.517   5.273  -1.455  1.00  0.00           C  
HETATM    6  C   UNL     1       1.648   4.472  -1.547  1.00  0.00           C  
HETATM    7  C   UNL     1       1.681   3.230  -0.952  1.00  0.00           C  
HETATM    8  C   UNL     1       0.566   2.773  -0.250  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.662   1.857   1.159  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.516   1.068   1.057  1.00  0.00           N  
HETATM   11  C   UNL     1       0.549   1.457   0.403  1.00  0.00           C  
HETATM   12  C   UNL     1       1.736   0.574   0.326  1.00  0.00           C  
HETATM   13  C   UNL     1       2.141  -0.154   1.445  1.00  0.00           C  
HETATM   14  C   UNL     1       3.244  -0.979   1.366  1.00  0.00           C  
HETATM   15  C   UNL     1       2.450   0.463  -0.867  1.00  0.00           C  
HETATM   16  C   UNL     1       3.555  -0.361  -0.933  1.00  0.00           C  
HETATM   17  C   UNL     1       3.948  -1.085   0.179  1.00  0.00           C  
HETATM   18 BR   UNL     1       5.460  -2.218   0.079  1.00  0.00          Br  
HETATM   19  C   UNL     1      -2.813   1.347   1.909  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.673   0.622   1.027  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.235  -0.710   0.753  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.338  -0.705  -0.456  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.420  -1.611  -1.394  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.314  -2.624  -1.372  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.952  -2.920  -0.127  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.135  -3.860  -0.364  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.656  -5.117  -0.848  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.451  -1.602   0.482  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.332  -0.951  -0.435  1.00  0.00           O  
HETATM   30  H   UNL     1      -1.472   5.470  -0.702  1.00  0.00           H  
HETATM   31  H   UNL     1       0.510   6.244  -1.929  1.00  0.00           H  
HETATM   32  H   UNL     1       2.511   4.827  -2.090  1.00  0.00           H  
HETATM   33  H   UNL     1       2.565   2.614  -1.029  1.00  0.00           H  
HETATM   34  H   UNL     1       1.592  -0.072   2.371  1.00  0.00           H  
HETATM   35  H   UNL     1       3.558  -1.543   2.232  1.00  0.00           H  
HETATM   36  H   UNL     1       2.138   1.021  -1.737  1.00  0.00           H  
HETATM   37  H   UNL     1       4.108  -0.448  -1.856  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.465   0.685   2.702  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.361   2.182   2.346  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.685  -1.096   1.611  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.600   0.077  -0.552  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.737  -1.547  -2.229  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.239  -3.390   0.549  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.672  -4.012   0.572  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.807  -3.420  -1.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.353  -5.764  -1.020  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.975  -1.804   1.416  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.669  -0.101  -0.121  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    9    1    1                                       
CONECT    3    8    8    4    2                                       
CONECT    4    5    5    3   30                                       
CONECT    5    6    4    4   31                                       
CONECT    6    7    7    5   32                                       
CONECT    7    6    6    8   33                                       
CONECT    8    7   11    3    3                                       
CONECT    9   10    2   19                                            
CONECT   10   11   11    9                                            
CONECT   11   12    8   10   10                                       
CONECT   12   13   13   15   11                                       
CONECT   13   14   12   12   34                                       
CONECT   14   17   17   13   35                                       
CONECT   15   16   16   12   36                                       
CONECT   16   17   15   15   37                                       
CONECT   17   18   14   14   16                                       
CONECT   18   17                                                      
CONECT   19    9   20   38   39                                       
CONECT   20   19   21                                                 
CONECT   21   20   28   22   40                                       
CONECT   22   21   23   23   41                                       
CONECT   23   24   22   22   42                                       
CONECT   24   25   23                                                 
CONECT   25   28   26   24   43                                       
CONECT   26   27   25   44   45                                       
CONECT   27   26   46                                                 
CONECT   28   29   21   25   47                                       
CONECT   29   28   48                                                 
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
