COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.656   0.497   1.851  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.210   0.021   0.892  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.308   0.763   0.551  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.523   1.997   1.192  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.649   2.423   2.124  1.00  0.00           N  
HETATM    6  C   UNL     1       0.426   1.681   2.447  1.00  0.00           C  
HETATM    7  O   UNL     1       1.201   2.086   3.292  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.494   2.676   0.904  1.00  0.00           O  
HETATM    9  C   UNL     1       1.831  -0.293   2.228  1.00  0.00           C  
HETATM   10  N   UNL     1       0.027  -1.190   0.283  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.213   0.297  -0.431  1.00  0.00           N  
HETATM   12  S   UNL     1      -3.732  -0.193   0.010  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.806   0.248  -1.837  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.879   0.845  -0.833  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.348   0.486  -2.083  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.248   1.300  -2.744  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.680   2.474  -2.155  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.211   2.834  -0.905  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.315   2.017  -0.242  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.904  -1.498  -0.526  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.864   0.103   1.393  1.00  0.00           O  
HETATM   22  C   UNL     1       2.961   0.002   1.275  1.00  0.00           C  
HETATM   23  C   UNL     1       3.785   1.089   1.497  1.00  0.00           C  
HETATM   24  C   UNL     1       4.822   1.360   0.624  1.00  0.00           C  
HETATM   25  C   UNL     1       5.035   0.543  -0.472  1.00  0.00           C  
HETATM   26  C   UNL     1       4.209  -0.545  -0.693  1.00  0.00           C  
HETATM   27  C   UNL     1       3.176  -0.818   0.183  1.00  0.00           C  
HETATM   28 BR   UNL     1       6.452   0.913  -1.667  1.00  0.00          Br  
HETATM   29  C   UNL     1      -0.524  -2.420   0.857  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.201  -3.601  -0.060  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.777  -4.885   0.540  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.467  -6.019  -0.341  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.005  -7.272   0.205  1.00  0.00           C  
HETATM   34  H   UNL     1      -0.795   3.274   2.567  1.00  0.00           H  
HETATM   35  H   UNL     1       2.133  -0.032   3.242  1.00  0.00           H  
HETATM   36  H   UNL     1       1.585  -1.354   2.183  1.00  0.00           H  
HETATM   37  H   UNL     1       0.558  -1.229  -0.528  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.267  -0.681  -2.027  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.690   0.291  -2.473  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.157   1.095  -2.058  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.011  -0.431  -2.543  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.614   1.020  -3.720  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.383   3.111  -2.672  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.548   3.751  -0.445  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.952   2.295   0.736  1.00  0.00           H  
HETATM   46  H   UNL     1       3.619   1.728   2.352  1.00  0.00           H  
HETATM   47  H   UNL     1       5.466   2.210   0.797  1.00  0.00           H  
HETATM   48  H   UNL     1       4.374  -1.183  -1.549  1.00  0.00           H  
HETATM   49  H   UNL     1       2.534  -1.669   0.013  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.083  -2.591   1.839  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.605  -2.322   0.957  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.642  -3.430  -1.042  1.00  0.00           H  
HETATM   53  H   UNL     1       0.880  -3.699  -0.159  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.336  -5.057   1.522  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.858  -4.787   0.639  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.809  -5.855  -1.275  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.762  -8.095  -0.466  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.566  -7.460   1.185  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.088  -7.191   0.302  1.00  0.00           H  
CONECT    1    6    9    2                                            
CONECT    2    1    3    3   10                                       
CONECT    3    4    2    2   11                                       
CONECT    4    5    8    8    3                                       
CONECT    5    6    4   34                                            
CONECT    6    7    7    5    1                                       
CONECT    7    6    6                                                 
CONECT    8    4    4                                                 
CONECT    9    1   22   35   36                                       
CONECT   10    2   29   37                                            
CONECT   11   13    3   12                                            
CONECT   12   11   21   21   14                                       
CONECT   12   20   20                                                 
CONECT   13   11   38   39   40                                       
CONECT   14   12   15   15   19                                       
CONECT   15   14   14   16   41                                       
CONECT   16   15   17   17   42                                       
CONECT   17   16   16   18   43                                       
CONECT   18   19   19   17   44                                       
CONECT   19   14   18   18   45                                       
CONECT   20   12   12                                                 
CONECT   21   12   12                                                 
CONECT   22    9   27   27   23                                       
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   25   47                                       
CONECT   25   26   26   24   28                                       
CONECT   26   27   25   25   48                                       
CONECT   27   22   22   26   49                                       
CONECT   28   25                                                      
CONECT   29   10   30   50   51                                       
CONECT   30   29   31   52   53                                       
CONECT   31   32   30   54   55                                       
CONECT   32   31   33   56                                            
CONECT   33   32   57   58   59                                       
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
