COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.303   0.859   1.154  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.881  -0.200   1.819  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.711  -0.758   1.589  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.896  -0.266   0.662  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.300   0.861  -0.073  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.557   1.421   0.208  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.009   2.531  -0.483  1.00  0.00           N  
HETATM    8  N   UNL     1      -5.299   1.153  -0.938  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.331   0.297  -0.785  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.651  -0.599   0.191  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.819  -1.712   0.653  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.203  -3.022  -0.082  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.281  -3.682   0.584  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.898  -3.849   0.026  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.979  -4.770   1.116  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.804  -2.796   0.290  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.440  -1.507   0.276  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.741  -2.864  -0.809  1.00  0.00           C  
HETATM   19  O   UNL     1       0.326  -1.967  -0.495  1.00  0.00           O  
HETATM   20  C   UNL     1     -10.392   1.978  -0.589  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.343   2.934  -0.019  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.056   3.644  -0.374  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.364   4.687  -1.449  1.00  0.00           C  
HETATM   24  O   UNL     1       7.405  -0.168   0.171  1.00  0.00           O  
HETATM   25 BR   UNL     1       4.525   0.058   2.087  1.00  0.00          Br  
HETATM   26  O   UNL     1       5.102  -1.792  -0.787  1.00  0.00           O  
HETATM   27  O   UNL     1       2.255  -3.096  -1.668  1.00  0.00           O  
HETATM   28  O   UNL     1       6.710   1.718  -1.356  1.00  0.00           O  
HETATM   29  P   UNL     1       6.528   1.172   0.007  1.00  0.00           P  
HETATM   30  C   UNL     1       4.768   0.783   0.276  1.00  0.00           C  
HETATM   31  P   UNL     1       4.225  -0.452  -0.950  1.00  0.00           P  
HETATM   32  O   UNL     1       2.670  -0.796  -0.713  1.00  0.00           O  
HETATM   33  P   UNL     1       1.619  -1.779  -1.435  1.00  0.00           P  
HETATM   34  O   UNL     1       7.008   2.263   1.090  1.00  0.00           O  
HETATM   35 BR   UNL     1       3.697   2.419   0.076  1.00  0.00          Br  
HETATM   36  O   UNL     1       4.407   0.094  -2.314  1.00  0.00           O  
HETATM   37  O   UNL     1       1.170  -1.144  -2.845  1.00  0.00           O  
HETATM   38  H   UNL     1      -8.519  -0.625   2.580  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.409   0.297  -1.348  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.909  -1.836   1.732  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.454  -2.824  -1.124  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.558  -4.507   0.162  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.704  -4.378  -0.906  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.689  -5.420   1.029  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.346  -2.973   1.263  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.354  -3.880  -0.877  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.186  -2.580  -1.763  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.299   1.942  -1.675  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.236   0.980  -0.178  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.389   2.330  -0.322  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.375   2.900   1.070  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.555   3.949  -0.357  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.142   4.101   0.612  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.042   3.268  -0.512  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.257   4.235  -2.435  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.385   5.048  -1.323  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.669   5.522  -1.355  1.00  0.00           H  
HETATM   58  H   UNL     1       7.334  -0.581   1.042  1.00  0.00           H  
HETATM   59  H   UNL     1       5.030  -2.205   0.084  1.00  0.00           H  
HETATM   60  H   UNL     1       7.937   2.518   1.007  1.00  0.00           H  
HETATM   61  H   UNL     1       0.745  -0.279  -2.769  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   38                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   21   22                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   39                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   17   40                                       
CONECT   12   11   13   14   41                                       
CONECT   13   12   42                                                 
CONECT   14   12   15   16   43                                       
CONECT   15   14   44                                                 
CONECT   16   14   17   18   45                                       
CONECT   17   11   16                                                 
CONECT   18   16   19   46   47                                       
CONECT   19   18   33                                                 
CONECT   20   21   48   49   50                                       
CONECT   21    7   20   51   52                                       
CONECT   22    7   23   53   54                                       
CONECT   23   22   55   56   57                                       
CONECT   24   29   58                                                 
CONECT   25   30                                                      
CONECT   26   31   59                                                 
CONECT   27   33   33                                                 
CONECT   28   29   29                                                 
CONECT   29   24   28   28   30                                       
CONECT   29   34                                                      
CONECT   30   25   29   31   35                                       
CONECT   31   26   30   32   36                                       
CONECT   31   36                                                      
CONECT   32   31   33                                                 
CONECT   33   19   27   27   32                                       
CONECT   33   37                                                      
CONECT   34   29   60                                                 
CONECT   35   30                                                      
CONECT   36   31   31                                                 
CONECT   37   33   61                                                 
CONECT   38    2                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   34                                                      
CONECT   61   37                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
