COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.373  -0.516  -0.387  1.00  0.00           C  
HETATM    2  C   UNL     1       6.006  -1.140  -1.633  1.00  0.00           C  
HETATM    3  C   UNL     1       5.132  -1.604   0.661  1.00  0.00           C  
HETATM    4  C   UNL     1       3.418   0.700   0.246  1.00  0.00           C  
HETATM    5  C   UNL     1       2.128   1.346  -0.042  1.00  0.00           C  
HETATM    6  C   UNL     1       0.896   0.861   0.269  1.00  0.00           C  
HETATM    7  C   UNL     1       1.848  -1.271   1.151  1.00  0.00           C  
HETATM    8  C   UNL     1       1.356  -2.719   0.885  1.00  0.00           C  
HETATM    9  C   UNL     1       0.331  -2.496  -0.253  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.113   0.497  -0.124  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.405   1.694  -0.018  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.089   2.877   0.256  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.456   2.874   0.433  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.164   1.688   0.338  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.507   0.510   0.062  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.315  -1.204   0.050  1.00  0.00           N  
HETATM   17  C   UNL     1       6.315   0.545   0.185  1.00  0.00           C  
HETATM   18  O   UNL     1       4.108   0.101  -0.744  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.489  -0.788  -0.433  1.00  0.00           C  
HETATM   20  C   UNL     1       0.672   2.791  -0.743  1.00  0.00           C  
HETATM   21  C   UNL     1       0.567  -0.440   0.949  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.018   1.771  -0.157  1.00  0.00           N  
HETATM   23  N   UNL     1       1.947   2.543  -0.663  1.00  0.00           N  
HETATM   24  O   UNL     1       3.862   0.706   1.378  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.081  -1.534  -1.190  1.00  0.00           O  
HETATM   26 BR   UNL     1      -4.486  -1.102  -0.069  1.00  0.00          Br  
HETATM   27  H   UNL     1       5.335  -1.896  -2.041  1.00  0.00           H  
HETATM   28  H   UNL     1       6.178  -0.366  -2.380  1.00  0.00           H  
HETATM   29  H   UNL     1       6.955  -1.604  -1.365  1.00  0.00           H  
HETATM   30  H   UNL     1       6.082  -2.067   0.929  1.00  0.00           H  
HETATM   31  H   UNL     1       4.681  -1.159   1.549  1.00  0.00           H  
HETATM   32  H   UNL     1       4.461  -2.360   0.253  1.00  0.00           H  
HETATM   33  H   UNL     1       2.218  -1.170   2.172  1.00  0.00           H  
HETATM   34  H   UNL     1       2.614  -0.984   0.431  1.00  0.00           H  
HETATM   35  H   UNL     1       2.177  -3.355   0.552  1.00  0.00           H  
HETATM   36  H   UNL     1       0.874  -3.137   1.768  1.00  0.00           H  
HETATM   37  H   UNL     1       0.840  -2.446  -1.216  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.408  -3.297  -0.259  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.542   3.806   0.330  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.975   3.796   0.645  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.235   1.686   0.482  1.00  0.00           H  
HETATM   42  H   UNL     1       7.264   0.082   0.453  1.00  0.00           H  
HETATM   43  H   UNL     1       6.487   1.320  -0.562  1.00  0.00           H  
HETATM   44  H   UNL     1       5.864   0.990   1.073  1.00  0.00           H  
HETATM   45  H   UNL     1       0.231   3.665  -1.200  1.00  0.00           H  
HETATM   46  H   UNL     1       0.081  -0.254   1.907  1.00  0.00           H  
CONECT    1   17   18    3    2                                       
CONECT    2    1   27   28   29                                       
CONECT    3    1   30   31   32                                       
CONECT    4   24   24    5   18                                       
CONECT    5   23    4    6    6                                       
CONECT    6    5    5   22   21                                       
CONECT    7   21    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9   16    8   37   38                                       
CONECT   10   11   11   15   19                                       
CONECT   11   12   22   10   10                                       
CONECT   12   13   13   11   39                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13   15   15   41                                       
CONECT   15   14   14   10   26                                       
CONECT   16   21   19    9                                            
CONECT   17    1   42   43   44                                       
CONECT   18    4    1                                                 
CONECT   19   10   16   25   25                                       
CONECT   20   23   23   22   45                                       
CONECT   21    6    7   16   46                                       
CONECT   22   20   11    6                                            
CONECT   23   20   20    5                                            
CONECT   24    4    4                                                 
CONECT   25   19   19                                                 
CONECT   26   15                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
