COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.714   1.025  -0.101  1.00  0.00           N  
HETATM    2  C   UNL     1       0.061   1.098  -0.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.744   2.332  -0.053  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.124   2.233  -0.086  1.00  0.00           C  
HETATM    5  C   UNL     1       1.951   2.403   0.012  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.058   3.563  -0.036  1.00  0.00           C  
HETATM    7  N   UNL     1       3.328   2.478   0.045  1.00  0.00           N  
HETATM    8  C   UNL     1       3.990   3.784   0.061  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.772   0.931  -1.362  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.877   0.841  -0.218  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.919   0.755   0.998  1.00  0.00           C  
HETATM   12  C   UNL     1       0.134  -1.410  -0.032  1.00  0.00           C  
HETATM   13  C   UNL     1       0.717  -3.464   1.069  1.00  0.00           C  
HETATM   14  C   UNL     1       1.642  -2.953  -1.088  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.112   0.962  -0.140  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.151   0.873  -1.400  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.219   0.867   1.003  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.840   0.929   1.042  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.019  -0.123  -0.085  1.00  0.00           C  
HETATM   20  C   UNL     1       0.021  -2.273   1.060  1.00  0.00           C  
HETATM   21  C   UNL     1       1.526  -3.804  -0.002  1.00  0.00           C  
HETATM   22  C   UNL     1       0.951  -1.759  -1.109  1.00  0.00           C  
HETATM   23  C   UNL     1       5.507   3.587   0.098  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.615  -0.134  -0.051  1.00  0.00           C  
HETATM   25  F   UNL     1       6.139   4.834   0.113  1.00  0.00           F  
HETATM   26  F   UNL     1       5.856   2.872   1.249  1.00  0.00           F  
HETATM   27  F   UNL     1       5.912   2.872  -1.035  1.00  0.00           F  
HETATM   28  N   UNL     1       1.389   1.207  -0.002  1.00  0.00           N  
HETATM   29  N   UNL     1       1.258   3.540  -0.004  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.623  -1.185  -0.100  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.235   0.785  -0.257  1.00  0.00           O  
HETATM   32 BR   UNL     1       2.476  -5.439   0.018  1.00  0.00          Br  
HETATM   33  H   UNL     1      -2.729   3.128  -0.100  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.597   4.499  -0.050  1.00  0.00           H  
HETATM   35  H   UNL     1       3.857   1.665   0.058  1.00  0.00           H  
HETATM   36  H   UNL     1       3.718   4.341  -0.836  1.00  0.00           H  
HETATM   37  H   UNL     1       3.675   4.341   0.943  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.207   0.956  -2.282  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.605  -0.123   1.561  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.679   1.655   1.564  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.994   0.711   0.825  1.00  0.00           H  
HETATM   42  H   UNL     1       0.631  -4.132   1.913  1.00  0.00           H  
HETATM   43  H   UNL     1       2.274  -3.224  -1.920  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.664   0.854  -2.350  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.785   0.842   1.922  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.327   0.949   1.993  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.609  -2.008   1.896  1.00  0.00           H  
HETATM   48  H   UNL     1       1.042  -1.096  -1.956  1.00  0.00           H  
CONECT    1   15    4   19                                            
CONECT    2    3   24   24   28                                       
CONECT    3    4    4    6    2                                       
CONECT    4    1    3    3   33                                       
CONECT    5   29   28   28    7                                       
CONECT    6    3   29   29   34                                       
CONECT    7    5    8   35                                            
CONECT    8    7   23   36   37                                       
CONECT    9   16   16   15   38                                       
CONECT   10   31   17   17   16                                       
CONECT   11   31   39   40   41                                       
CONECT   12   24   20   20   22                                       
CONECT   13   20   21   21   42                                       
CONECT   14   22   22   21   43                                       
CONECT   15   18   18    9    1                                       
CONECT   16   10    9    9   44                                       
CONECT   17   10   10   18   45                                       
CONECT   18   17   15   15   46                                       
CONECT   19    1   30   30   24                                       
CONECT   20   12   12   13   47                                       
CONECT   21   13   13   14   32                                       
CONECT   22   12   14   14   48                                       
CONECT   23   26    8   27   25                                       
CONECT   24   19    2    2   12                                       
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   23                                                      
CONECT   28    2    5    5                                            
CONECT   29    6    6    5                                            
CONECT   30   19   19                                                 
CONECT   31   11   10                                                 
CONECT   32   21                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
