COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.864   0.870  -0.888  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.580   2.013  -0.616  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.460   2.998  -0.854  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.240   2.330  -0.005  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.490   1.124   0.154  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.250   1.235   0.696  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.761   2.475   1.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.495   2.588   1.620  1.00  0.00           C  
HETATM    9  C   UNL     1       0.294   1.473   1.807  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.178   0.216   1.440  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.462   0.099   0.887  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.653  -1.339   0.613  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.836  -1.972   0.032  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.693  -2.440   0.756  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.991  -2.044  -1.450  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.093  -1.664  -2.173  1.00  0.00           O  
HETATM   17  N   UNL     1      -4.128  -2.532  -1.985  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.489  -1.965   1.017  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.223  -3.446   0.928  1.00  0.00           C  
HETATM   20  N   UNL     1       0.369  -1.050   1.504  1.00  0.00           N  
HETATM   21  C   UNL     1       1.704  -1.355   2.024  1.00  0.00           C  
HETATM   22  C   UNL     1       2.709  -1.280   0.904  1.00  0.00           C  
HETATM   23  C   UNL     1       3.343  -0.085   0.623  1.00  0.00           C  
HETATM   24  C   UNL     1       4.266  -0.016  -0.406  1.00  0.00           C  
HETATM   25 BR   UNL     1       5.135   1.619  -0.789  1.00  0.00          Br  
HETATM   26  C   UNL     1       4.552  -1.144  -1.153  1.00  0.00           C  
HETATM   27  C   UNL     1       3.917  -2.339  -0.872  1.00  0.00           C  
HETATM   28  C   UNL     1       3.000  -2.409   0.160  1.00  0.00           C  
HETATM   29  H   UNL     1      -7.308   2.745  -1.243  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.695   3.013  -0.657  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.386   2.798   0.969  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.367   3.358   0.927  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.122   3.560   1.907  1.00  0.00           H  
HETATM   34  H   UNL     1       1.279   1.574   2.239  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.845  -2.836  -1.407  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.228  -2.579  -2.949  1.00  0.00           H  
HETATM   37  H   UNL     1       0.316  -3.664   0.006  1.00  0.00           H  
HETATM   38  H   UNL     1       0.377  -3.759   1.782  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.170  -3.986   0.932  1.00  0.00           H  
HETATM   40  H   UNL     1       1.967  -0.632   2.797  1.00  0.00           H  
HETATM   41  H   UNL     1       1.708  -2.359   2.450  1.00  0.00           H  
HETATM   42  H   UNL     1       3.119   0.796   1.207  1.00  0.00           H  
HETATM   43  H   UNL     1       5.272  -1.091  -1.957  1.00  0.00           H  
HETATM   44  H   UNL     1       4.141  -3.220  -1.456  1.00  0.00           H  
HETATM   45  H   UNL     1       2.507  -3.344   0.382  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   29                                                 
CONECT    4    5    2   30   31                                       
CONECT    5    6    4                                                 
CONECT    6   11    5    7    7                                       
CONECT    7    6    6    8   32                                       
CONECT    8    9    9    7   33                                       
CONECT    9   10    8    8   34                                       
CONECT   10   20   11   11    9                                       
CONECT   11   12   10   10    6                                       
CONECT   12   13   18   18   11                                       
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   17   16   16   13                                       
CONECT   16   15   15                                                 
CONECT   17   15   35   36                                            
CONECT   18   19   12   12   20                                       
CONECT   19   18   37   38   39                                       
CONECT   20   18   21   10                                            
CONECT   21   20   22   40   41                                       
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   43                                       
CONECT   27   28   28   26   44                                       
CONECT   28   22   27   27   45                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
