COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.216  -2.268  -0.127  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.661  -0.175  -1.194  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.445   0.161  -1.758  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.302  -0.531  -1.406  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.373  -1.567  -0.483  1.00  0.00           C  
HETATM    6  C   UNL     1       0.971  -1.631  -0.084  1.00  0.00           C  
HETATM    7  C   UNL     1       3.413  -1.470   0.179  1.00  0.00           C  
HETATM    8  C   UNL     1       5.576   0.252   0.173  1.00  0.00           C  
HETATM    9  C   UNL     1       4.095  -1.222  -0.997  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.737  -1.206  -0.268  1.00  0.00           C  
HETATM   11  O   UNL     1       1.023  -0.433  -0.259  1.00  0.00           O  
HETATM   12  C   UNL     1       2.234  -2.409   0.183  1.00  0.00           C  
HETATM   13  C   UNL     1       5.176  -0.361  -1.000  1.00  0.00           C  
HETATM   14 BR   UNL     1       7.054   1.431   0.169  1.00  0.00          Br  
HETATM   15  C   UNL     1       4.895   0.000   1.351  1.00  0.00           C  
HETATM   16  C   UNL     1       3.814  -0.861   1.354  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.593  -1.906   0.084  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.932  -1.533   0.290  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.936  -2.604   1.235  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.905   0.582  -1.581  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.158   1.700  -0.568  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.415   2.504  -0.951  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.314   2.313   0.179  1.00  0.00           O  
HETATM   24  N   UNL     1      -5.490   1.138   0.750  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.723   1.535   1.093  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.256   1.217   2.138  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.269  -3.211   0.092  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.388   0.966  -2.476  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.353  -0.266  -1.848  1.00  0.00           H  
HETATM   30  H   UNL     1       3.784  -1.702  -1.913  1.00  0.00           H  
HETATM   31  H   UNL     1       2.161  -2.898   1.155  1.00  0.00           H  
HETATM   32  H   UNL     1       2.368  -3.163  -0.593  1.00  0.00           H  
HETATM   33  H   UNL     1       5.709  -0.167  -1.919  1.00  0.00           H  
HETATM   34  H   UNL     1       5.207   0.479   2.268  1.00  0.00           H  
HETATM   35  H   UNL     1       3.283  -1.058   2.273  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.651  -2.712   0.801  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.951  -2.761   1.602  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.579  -3.515   0.754  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.282  -2.354   2.070  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.774   1.013  -2.573  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.757  -0.099  -1.590  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.289   2.354  -0.497  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.171   3.560  -1.071  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.859   2.107  -1.864  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.911   0.572   1.285  1.00  0.00           H  
CONECT    1    6    5   27                                            
CONECT    2   10   10    3   20                                       
CONECT    3    4    4    2   28                                       
CONECT    4    5    3    3   29                                       
CONECT    5    1   17   17    4                                       
CONECT    6   12   11   11    1                                       
CONECT    7    9   12   16   16                                       
CONECT    8   13   14   15   15                                       
CONECT    9   13   13    7   30                                       
CONECT   10   17   18    2    2                                       
CONECT   11    6    6                                                 
CONECT   12    7    6   31   32                                       
CONECT   13    9    9    8   33                                       
CONECT   14    8                                                      
CONECT   15    8    8   16   34                                       
CONECT   16    7    7   15   35                                       
CONECT   17    5    5   10   36                                       
CONECT   18   10   19                                                 
CONECT   19   18   37   38   39                                       
CONECT   20    2   21   40   41                                       
CONECT   21   20   24   22   42                                       
CONECT   22   21   23   43   44                                       
CONECT   23   22   25                                                 
CONECT   24   21   25   45                                            
CONECT   25   24   26   26   23                                       
CONECT   26   25   25                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    9                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
