COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.194  -0.749  -0.479  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.871   0.600   0.399  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.447  -0.624   1.028  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.654  -0.611   2.162  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.726   0.045   1.236  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.740   1.172  -0.925  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.247  -1.631  -1.032  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.509  -1.170  -0.734  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.531  -1.769  -0.997  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.470   0.177  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1       0.247  -0.350  -0.485  1.00  0.00           C  
HETATM   12  C   UNL     1       0.021   0.974  -0.347  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.344   1.607  -0.442  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.253   2.899  -1.255  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.860   1.922   0.963  1.00  0.00           C  
HETATM   16  C   UNL     1       2.232   0.722  -0.093  1.00  0.00           C  
HETATM   17  C   UNL     1       1.671  -0.560  -0.329  1.00  0.00           C  
HETATM   18  C   UNL     1       2.472  -1.705  -0.374  1.00  0.00           C  
HETATM   19  C   UNL     1       3.820  -1.529  -0.178  1.00  0.00           C  
HETATM   20  C   UNL     1       4.372  -0.279   0.054  1.00  0.00           C  
HETATM   21  C   UNL     1       3.603   0.872   0.103  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.079  -0.238   1.691  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.308   0.633  -1.135  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.829  -1.369  -0.754  1.00  0.00           C  
HETATM   25  N   UNL     1       1.206   1.623  -0.111  1.00  0.00           N  
HETATM   26 BR   UNL     1       6.240  -0.141   0.314  1.00  0.00          Br  
HETATM   27  H   UNL     1      -5.903   1.667   0.619  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.610   0.339  -0.359  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.477  -1.617   1.477  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.650  -0.038   1.485  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.518  -1.692   2.124  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.489  -0.249   3.177  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.249   1.258  -1.886  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.704   2.146  -0.437  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.069  -2.436  -1.543  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.886   2.673  -2.257  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.240   3.356  -1.324  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.566   3.589  -0.765  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.693   2.976   1.184  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.927   1.705   1.016  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.329   1.310   1.692  1.00  0.00           H  
HETATM   42  H   UNL     1       2.050  -2.683  -0.554  1.00  0.00           H  
HETATM   43  H   UNL     1       4.470  -2.391  -0.206  1.00  0.00           H  
HETATM   44  H   UNL     1       4.045   1.840   0.285  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.585   0.357   2.451  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.653  -1.138   1.470  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.072   0.564  -2.197  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.684  -2.231  -0.103  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.777  -1.687  -1.795  1.00  0.00           H  
HETATM   50  H   UNL     1       1.301   2.579   0.023  1.00  0.00           H  
CONECT    1    3   24    7   23                                       
CONECT    2   22   10   27   28                                       
CONECT    3    5    1   29   30                                       
CONECT    4    5   22   31   32                                       
CONECT    5    4    3   10                                            
CONECT    6   10   23   33   34                                       
CONECT    7    1    8   35                                            
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    5    8    2    6                                       
CONECT   11   17   24   12   12                                       
CONECT   12   11   11   25   13                                       
CONECT   13   12   15   23   14                                       
CONECT   14   13   36   37   38                                       
CONECT   15   13   39   40   41                                       
CONECT   16   21   21   17   25                                       
CONECT   17   18   18   16   11                                       
CONECT   18   19   17   17   42                                       
CONECT   19   20   20   18   43                                       
CONECT   20   26   19   19   21                                       
CONECT   21   20   16   16   44                                       
CONECT   22    4    2   45   46                                       
CONECT   23    1   13    6   47                                       
CONECT   24   11    1   48   49                                       
CONECT   25   16   12   50                                            
CONECT   26   20                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
