COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.760  -0.400   1.027  1.00  0.00           C  
HETATM    2  C   UNL     1       7.231  -0.404   1.089  1.00  0.00           C  
HETATM    3  C   UNL     1       6.663  -0.404  -0.332  1.00  0.00           C  
HETATM    4  C   UNL     1       7.044  -1.710  -1.033  1.00  0.00           C  
HETATM    5  C   UNL     1       5.162  -0.285  -0.273  1.00  0.00           C  
HETATM    6  C   UNL     1       4.532   0.788  -0.877  1.00  0.00           C  
HETATM    7  C   UNL     1       3.158   0.903  -0.826  1.00  0.00           C  
HETATM    8  C   UNL     1       4.419  -1.252   0.381  1.00  0.00           C  
HETATM    9  C   UNL     1       3.044  -1.147   0.439  1.00  0.00           C  
HETATM   10  C   UNL     1       2.404  -0.065  -0.164  1.00  0.00           C  
HETATM   11  C   UNL     1       0.927   0.052  -0.105  1.00  0.00           C  
HETATM   12  N   UNL     1       0.201  -1.044  -0.144  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.132  -1.020  -0.096  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.882  -2.210  -0.139  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.241  -2.153  -0.087  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.907  -0.932   0.008  1.00  0.00           C  
HETATM   17 BR   UNL     1      -5.797  -0.902   0.077  1.00  0.00          Br  
HETATM   18  C   UNL     1      -3.212   0.242   0.052  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.815   0.219   0.002  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.028   1.452   0.046  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.679   2.776   0.147  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.908   3.257   1.238  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.016   3.447  -0.970  1.00  0.00           O  
HETATM   24  C   UNL     1       0.354   1.329  -0.004  1.00  0.00           C  
HETATM   25  C   UNL     1       1.229   2.554   0.044  1.00  0.00           C  
HETATM   26  H   UNL     1       9.165  -0.400   2.039  1.00  0.00           H  
HETATM   27  H   UNL     1       9.105  -1.288   0.498  1.00  0.00           H  
HETATM   28  H   UNL     1       9.100   0.492   0.500  1.00  0.00           H  
HETATM   29  H   UNL     1       6.892  -1.296   1.616  1.00  0.00           H  
HETATM   30  H   UNL     1       6.886   0.484   1.618  1.00  0.00           H  
HETATM   31  H   UNL     1       7.073   0.439  -0.887  1.00  0.00           H  
HETATM   32  H   UNL     1       8.129  -1.796  -1.076  1.00  0.00           H  
HETATM   33  H   UNL     1       6.634  -2.553  -0.478  1.00  0.00           H  
HETATM   34  H   UNL     1       6.639  -1.710  -2.045  1.00  0.00           H  
HETATM   35  H   UNL     1       5.117   1.538  -1.389  1.00  0.00           H  
HETATM   36  H   UNL     1       2.667   1.741  -1.298  1.00  0.00           H  
HETATM   37  H   UNL     1       4.916  -2.090   0.847  1.00  0.00           H  
HETATM   38  H   UNL     1       2.465  -1.903   0.949  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.382  -3.164  -0.213  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.812  -3.069  -0.121  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.739   1.182   0.125  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.439   4.309  -0.854  1.00  0.00           H  
HETATM   43  H   UNL     1       1.405   2.915  -0.970  1.00  0.00           H  
HETATM   44  H   UNL     1       0.734   3.332   0.625  1.00  0.00           H  
HETATM   45  H   UNL     1       2.182   2.302   0.510  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2    5    4   31                                       
CONECT    4    3   32   33   34                                       
CONECT    5    8    3    6    6                                       
CONECT    6    5    5    7   35                                       
CONECT    7   10   10    6   36                                       
CONECT    8    9    9    5   37                                       
CONECT    9    8    8   10   38                                       
CONECT   10    9   11    7    7                                       
CONECT   11   12   10   24   24                                       
CONECT   12   13   13   11                                            
CONECT   13   14   12   12   19                                       
CONECT   14   15   15   13   39                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   41                                       
CONECT   19   13   18   20   20                                       
CONECT   20   19   19   24   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   42                                                 
CONECT   24   11   11   20   25                                       
CONECT   25   24   43   44   45                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
