COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       0.456   0.834   0.271  1.00  0.00           P  
HETATM    2  O   UNL     1       0.058   0.085   1.484  1.00  0.00           O  
HETATM    3  O   UNL     1       1.043   2.272   0.696  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.828   1.039  -0.678  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.833   1.671   0.117  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.088   1.895  -0.730  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.674   0.630  -1.079  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.135   2.681   0.083  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.453   3.917  -0.561  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.373   1.746   0.105  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.578   2.493  -0.077  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.105   0.824  -1.112  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.802  -0.455  -0.957  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.490  -1.442  -0.069  1.00  0.00           C  
HETATM   15 BR   UNL     1      -4.068  -1.373   1.175  1.00  0.00          Br  
HETATM   16  N   UNL     1      -6.318  -2.439  -0.204  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.209  -2.156  -1.184  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.300  -2.833  -1.753  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.663  -4.092  -1.306  1.00  0.00           N  
HETATM   20  N   UNL     1      -8.977  -2.238  -2.730  1.00  0.00           N  
HETATM   21  C   UNL     1      -8.638  -1.037  -3.162  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.624  -0.365  -2.659  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.893  -0.878  -1.676  1.00  0.00           C  
HETATM   24  O   UNL     1       1.585   0.007  -0.524  1.00  0.00           O  
HETATM   25  P   UNL     1       2.573  -0.616   0.584  1.00  0.00           P  
HETATM   26  O   UNL     1       1.934  -1.886   1.187  1.00  0.00           O  
HETATM   27  O   UNL     1       2.811   0.422   1.703  1.00  0.00           O1-
HETATM   28  O   UNL     1       3.978  -0.996  -0.103  1.00  0.00           O  
HETATM   29  C   UNL     1       4.847  -1.430   0.945  1.00  0.00           C  
HETATM   30  C   UNL     1       6.207  -1.809   0.357  1.00  0.00           C  
HETATM   31  O   UNL     1       6.869  -0.639  -0.174  1.00  0.00           O  
HETATM   32  C   UNL     1       7.150  -2.326   1.466  1.00  0.00           C  
HETATM   33  O   UNL     1       7.163  -3.755   1.485  1.00  0.00           O  
HETATM   34  C   UNL     1       8.540  -1.776   1.065  1.00  0.00           C  
HETATM   35  O   UNL     1       9.453  -2.849   0.828  1.00  0.00           O  
HETATM   36  C   UNL     1       8.269  -0.989  -0.236  1.00  0.00           C  
HETATM   37  N   UNL     1       9.095   0.219  -0.283  1.00  0.00           N1+
HETATM   38  C   UNL     1      10.178   0.225  -1.032  1.00  0.00           C  
HETATM   39  C   UNL     1      10.992   1.357  -1.094  1.00  0.00           C  
HETATM   40  C   UNL     1      12.211   1.361  -1.929  1.00  0.00           C  
HETATM   41  O   UNL     1      12.515   0.371  -2.566  1.00  0.00           O  
HETATM   42  N   UNL     1      12.986   2.463  -1.985  1.00  0.00           N  
HETATM   43  C   UNL     1      10.630   2.491  -0.356  1.00  0.00           C  
HETATM   44  C   UNL     1       9.479   2.436   0.410  1.00  0.00           C  
HETATM   45  C   UNL     1       8.730   1.273   0.423  1.00  0.00           C  
HETATM   46  P   UNL     1      -7.559   2.096   1.136  1.00  0.00           P  
HETATM   47  O   UNL     1      -6.869   2.329   2.425  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.889   3.000   1.068  1.00  0.00           O  
HETATM   49  O   UNL     1      -7.959   0.541   1.016  1.00  0.00           O  
HETATM   50  H   UNL     1       1.290   2.726  -0.121  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.078   1.034   0.967  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.462   2.630   0.477  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.830   2.447  -1.634  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.775   2.861   1.096  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.649   4.455  -0.545  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.410   1.170   1.029  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.405   1.314  -2.038  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.162  -4.517  -0.593  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.418  -4.550  -1.707  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.215  -0.589  -3.958  1.00  0.00           H  
HETATM   61  H   UNL     1       4.412  -2.297   1.442  1.00  0.00           H  
HETATM   62  H   UNL     1       4.975  -0.624   1.668  1.00  0.00           H  
HETATM   63  H   UNL     1       6.087  -2.562  -0.421  1.00  0.00           H  
HETATM   64  H   UNL     1       6.849  -1.935   2.437  1.00  0.00           H  
HETATM   65  H   UNL     1       7.766  -4.019   2.194  1.00  0.00           H  
HETATM   66  H   UNL     1       8.925  -1.112   1.839  1.00  0.00           H  
HETATM   67  H   UNL     1       9.534  -3.337   1.659  1.00  0.00           H  
HETATM   68  H   UNL     1       8.465  -1.616  -1.106  1.00  0.00           H  
HETATM   69  H   UNL     1      10.444  -0.657  -1.595  1.00  0.00           H  
HETATM   70  H   UNL     1      13.786   2.466  -2.534  1.00  0.00           H  
HETATM   71  H   UNL     1      12.741   3.254  -1.481  1.00  0.00           H  
HETATM   72  H   UNL     1      11.234   3.386  -0.384  1.00  0.00           H  
HETATM   73  H   UNL     1       9.170   3.291   0.993  1.00  0.00           H  
HETATM   74  H   UNL     1       7.831   1.227   1.020  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.448   2.731   1.811  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.405   0.432   0.165  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   24                                                      
CONECT    2    1    1                                                 
CONECT    3    1   50                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   51   52                                       
CONECT    6    5    7    8   53                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   54                                       
CONECT    9    8   55                                                 
CONECT   10    8   11   12   56                                       
CONECT   11   10   46                                                 
CONECT   12    7   10   13   57                                       
CONECT   13   12   14   23                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16   14   14   17                                            
CONECT   17   16   18   23   23                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   58   59                                            
CONECT   20   18   18   21                                            
CONECT   21   20   22   22   60                                       
CONECT   22   21   21   23                                            
CONECT   23   13   17   17   22                                       
CONECT   24    1   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25                                                      
CONECT   28   25   29                                                 
CONECT   29   28   30   61   62                                       
CONECT   30   29   31   32   63                                       
CONECT   31   30   36                                                 
CONECT   32   30   33   34   64                                       
CONECT   33   32   65                                                 
CONECT   34   32   35   36   66                                       
CONECT   35   34   67                                                 
CONECT   36   31   34   37   68                                       
CONECT   37   36   38   45   45                                       
CONECT   38   37   39   39   69                                       
CONECT   39   38   38   40   43                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   70   71                                            
CONECT   43   39   44   44   72                                       
CONECT   44   43   43   45   73                                       
CONECT   45   37   37   44   74                                       
CONECT   46   11   47   47   48                                       
CONECT   46   49                                                      
CONECT   47   46   46                                                 
CONECT   48   46   75                                                 
CONECT   49   46   76                                                 
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   42                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
CONECT   73   44                                                      
CONECT   74   45                                                      
CONECT   75   48                                                      
CONECT   76   49                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
