COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       4.356  -1.905  -0.228  1.00  0.00          Br  
HETATM    2  C   UNL     1      -4.643  -0.304  -0.788  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.273  -1.136   0.028  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.629  -1.776   0.999  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.336  -1.630   1.215  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.607  -0.809   0.443  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.251  -0.106  -0.605  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.514   0.756  -1.426  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.179   0.915  -1.214  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.528   0.225  -0.181  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.234  -0.633   0.646  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.322   0.349  -1.795  1.00  0.00           N  
HETATM   13  N   UNL     1      -5.345  -2.631   1.818  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.390   1.844  -2.102  1.00  0.00           C  
HETATM   15  C   UNL     1       0.927   0.417   0.029  1.00  0.00           C  
HETATM   16  C   UNL     1       1.422   1.665   0.420  1.00  0.00           C  
HETATM   17  C   UNL     1       2.783   1.835   0.614  1.00  0.00           C  
HETATM   18  C   UNL     1       3.648   0.775   0.421  1.00  0.00           C  
HETATM   19  C   UNL     1       3.161  -0.462   0.033  1.00  0.00           C  
HETATM   20  C   UNL     1       1.807  -0.647  -0.158  1.00  0.00           C  
HETATM   21  O   UNL     1       0.571   2.707   0.609  1.00  0.00           O  
HETATM   22  C   UNL     1       1.148   3.951   1.009  1.00  0.00           C  
HETATM   23  C   UNL     1       0.043   4.997   1.171  1.00  0.00           C  
HETATM   24  H   UNL     1      -3.003   1.292  -2.225  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.729  -1.162   1.441  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.274   0.202  -1.913  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.848   0.955  -2.386  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.297  -2.753   1.677  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.896  -3.108   2.533  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.395   2.846  -1.674  1.00  0.00           H  
HETATM   31  H   UNL     1       0.637   1.487  -2.180  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.842   1.870  -3.093  1.00  0.00           H  
HETATM   33  H   UNL     1       3.169   2.797   0.916  1.00  0.00           H  
HETATM   34  H   UNL     1       4.709   0.912   0.573  1.00  0.00           H  
HETATM   35  H   UNL     1       1.430  -1.615  -0.456  1.00  0.00           H  
HETATM   36  H   UNL     1       1.669   3.822   1.958  1.00  0.00           H  
HETATM   37  H   UNL     1       1.855   4.285   0.249  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.477   5.126   0.222  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.664   4.664   1.931  1.00  0.00           H  
HETATM   40  H   UNL     1       0.483   5.946   1.476  1.00  0.00           H  
CONECT    1   19                                                      
CONECT    2    3    3    7   12                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   13                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7   11                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7    9    9   24                                       
CONECT    9    8    8   10   14                                       
CONECT   10    9   11   11   15                                       
CONECT   11    6   10   10   25                                       
CONECT   12    2   26   27                                            
CONECT   13    4   28   29                                            
CONECT   14    9   30   31   32                                       
CONECT   15   10   16   16   20                                       
CONECT   16   15   15   17   21                                       
CONECT   17   16   18   18   33                                       
CONECT   18   17   17   19   34                                       
CONECT   19    1   18   20   20                                       
CONECT   20   15   19   19   35                                       
CONECT   21   16   22                                                 
CONECT   22   21   23   36   37                                       
CONECT   23   22   38   39   40                                       
CONECT   24    8                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   20                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
