COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.834  -3.719   1.078  1.00  0.00           O  
HETATM    2  P   UNL     1      -6.259  -2.302   1.099  1.00  0.00           P  
HETATM    3  O   UNL     1      -7.659  -2.150   0.318  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.440  -1.819   2.624  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.999  -1.280   0.287  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.914  -1.841  -0.206  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.972  -1.077  -0.814  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.821  -1.751  -1.325  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.878  -0.733  -1.970  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.368   0.179  -0.943  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.056   1.349  -0.650  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.170   1.640  -1.298  1.00  0.00           C  
HETATM   13  P   UNL     1      -3.068   3.169  -0.915  1.00  0.00           P  
HETATM   14  O   UNL     1      -4.554   2.806  -0.411  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.353   3.909   0.148  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.158   4.083  -2.238  1.00  0.00           O  
HETATM   17  C   UNL     1       0.867  -0.144  -0.225  1.00  0.00           C  
HETATM   18  C   UNL     1       2.063   0.444  -0.976  1.00  0.00           C  
HETATM   19  N   UNL     1       3.298   0.122  -0.258  1.00  0.00           N  
HETATM   20  C   UNL     1       4.075  -0.990  -0.442  1.00  0.00           C  
HETATM   21  N   UNL     1       4.000  -2.058  -1.246  1.00  0.00           N  
HETATM   22  C   UNL     1       4.914  -3.002  -1.209  1.00  0.00           C  
HETATM   23  N   UNL     1       4.795  -4.078  -2.053  1.00  0.00           N  
HETATM   24  N   UNL     1       5.976  -2.943  -0.357  1.00  0.00           N  
HETATM   25  C   UNL     1       6.118  -1.895   0.485  1.00  0.00           C  
HETATM   26  O   UNL     1       7.064  -1.833   1.251  1.00  0.00           O  
HETATM   27  C   UNL     1       5.142  -0.872   0.456  1.00  0.00           C  
HETATM   28  N   UNL     1       4.969   0.288   1.135  1.00  0.00           N  
HETATM   29  C   UNL     1       3.888   0.878   0.713  1.00  0.00           C  
HETATM   30 BR   UNL     1       3.228   2.529   1.358  1.00  0.00          Br  
HETATM   31  H   UNL     1      -7.998  -1.245   0.292  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.100  -2.322   3.121  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.139  -0.212   0.207  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.775  -2.909  -0.127  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.305  -2.259  -0.510  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.130  -2.483  -2.072  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.044  -1.256  -2.438  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.419  -0.164  -2.725  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.681   2.022   0.107  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.545   0.968  -2.055  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.081   2.320  -1.059  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.627   4.919  -2.107  1.00  0.00           H  
HETATM   43  H   UNL     1       0.825   0.280   0.779  1.00  0.00           H  
HETATM   44  H   UNL     1       0.976  -1.226  -0.158  1.00  0.00           H  
HETATM   45  H   UNL     1       2.105   0.021  -1.980  1.00  0.00           H  
HETATM   46  H   UNL     1       1.953   1.527  -1.043  1.00  0.00           H  
HETATM   47  H   UNL     1       4.045  -4.133  -2.665  1.00  0.00           H  
HETATM   48  H   UNL     1       5.462  -4.782  -2.037  1.00  0.00           H  
HETATM   49  H   UNL     1       6.633  -3.656  -0.354  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    2    4                                                      
CONECT    3    2   31                                                 
CONECT    4    2   32                                                 
CONECT    5    2    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6    8                                                 
CONECT    8    9    7   35   36                                       
CONECT    9   10    8   37   38                                       
CONECT   10   11   17    9                                            
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   15   15   14   12                                       
CONECT   13   16                                                      
CONECT   14   13   41                                                 
CONECT   15   13   13                                                 
CONECT   16   13   42                                                 
CONECT   17   18   10   43   44                                       
CONECT   18   19   17   45   46                                       
CONECT   19   29   18   20                                            
CONECT   20   19   27   27   21                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   24   23                                       
CONECT   23   22   47   48                                            
CONECT   24   25   22   49                                            
CONECT   25   27   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   20   20   25                                       
CONECT   28   29   29   27                                            
CONECT   29   30   28   28   19                                       
CONECT   30   29                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
