COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.860   3.474   3.131  1.00  0.00           C  
HETATM    2  N   UNL     1       1.306   2.802   1.953  1.00  0.00           N  
HETATM    3  C   UNL     1       1.953   2.868   0.772  1.00  0.00           C  
HETATM    4  O   UNL     1       2.997   3.486   0.685  1.00  0.00           O  
HETATM    5  N   UNL     1       1.444   2.249  -0.311  1.00  0.00           N  
HETATM    6  N   UNL     1       0.237   1.540  -0.213  1.00  0.00           N  
HETATM    7  C   UNL     1       2.142   2.319  -1.589  1.00  0.00           C  
HETATM    8  C   UNL     1       1.427   3.319  -2.500  1.00  0.00           C  
HETATM    9  C   UNL     1       2.165   0.949  -2.266  1.00  0.00           C  
HETATM   10  C   UNL     1       2.509  -0.114  -1.250  1.00  0.00           C  
HETATM   11  C   UNL     1       3.739  -0.732  -1.279  1.00  0.00           C  
HETATM   12  C   UNL     1       4.045  -1.722  -0.357  1.00  0.00           C  
HETATM   13  O   UNL     1       5.172  -2.472  -0.177  1.00  0.00           O  
HETATM   14  C   UNL     1       4.763  -3.592   0.630  1.00  0.00           C  
HETATM   15  O   UNL     1       3.641  -3.086   1.376  1.00  0.00           O  
HETATM   16  C   UNL     1       3.104  -2.097   0.601  1.00  0.00           C  
HETATM   17  C   UNL     1       1.870  -1.475   0.640  1.00  0.00           C  
HETATM   18  C   UNL     1       1.565  -0.472  -0.281  1.00  0.00           C  
HETATM   19  C   UNL     1       0.255   0.232  -0.211  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.009  -0.534  -0.143  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.231   0.138  -0.082  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.408  -0.579  -0.019  1.00  0.00           C  
HETATM   23 BR   UNL     1      -5.064   0.330   0.065  1.00  0.00          Br  
HETATM   24  C   UNL     1      -3.377  -1.970  -0.017  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.569  -2.693   0.046  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.161  -2.641  -0.078  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.982  -1.930  -0.147  1.00  0.00           C  
HETATM   28  H   UNL     1       1.204   3.310   3.985  1.00  0.00           H  
HETATM   29  H   UNL     1       2.849   3.070   3.349  1.00  0.00           H  
HETATM   30  H   UNL     1       1.941   4.543   2.934  1.00  0.00           H  
HETATM   31  H   UNL     1       0.474   2.309   2.023  1.00  0.00           H  
HETATM   32  H   UNL     1       3.165   2.655  -1.422  1.00  0.00           H  
HETATM   33  H   UNL     1       1.426   4.303  -2.030  1.00  0.00           H  
HETATM   34  H   UNL     1       1.946   3.375  -3.457  1.00  0.00           H  
HETATM   35  H   UNL     1       0.400   2.993  -2.663  1.00  0.00           H  
HETATM   36  H   UNL     1       1.185   0.739  -2.693  1.00  0.00           H  
HETATM   37  H   UNL     1       2.914   0.948  -3.058  1.00  0.00           H  
HETATM   38  H   UNL     1       4.469  -0.444  -2.021  1.00  0.00           H  
HETATM   39  H   UNL     1       4.458  -4.427  -0.001  1.00  0.00           H  
HETATM   40  H   UNL     1       1.142  -1.765   1.383  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.255   1.217  -0.083  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.418  -2.225   0.088  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.549  -3.662   0.047  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.140  -3.721  -0.076  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.038  -2.452  -0.194  1.00  0.00           H  
HETATM   46  H   UNL     1       5.567  -3.894   1.301  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3   31                                            
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    3    7                                            
CONECT    6   19   19    5                                            
CONECT    7    5    9    8   32                                       
CONECT    8    7   33   34   35                                       
CONECT    9   10    7   36   37                                       
CONECT   10   18    9   11   11                                       
CONECT   11   10   10   12   38                                       
CONECT   12   16   16   11   13                                       
CONECT   13   14   12                                                 
CONECT   14   15   13   39   46                                       
CONECT   15   16   14                                                 
CONECT   16   17   15   12   12                                       
CONECT   17   18   18   16   40                                       
CONECT   18   19   17   17   10                                       
CONECT   19   20    6    6   18                                       
CONECT   20   21   21   27   19                                       
CONECT   21   22   20   20   41                                       
CONECT   22   23   24   24   21                                       
CONECT   23   22                                                      
CONECT   24   25   22   22   26                                       
CONECT   25   24   42   43                                            
CONECT   26   24   27   27   44                                       
CONECT   27   26   26   20   45                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   14                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
