COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       0.608  -0.656  -6.130  1.00  0.00           P  
HETATM    2  O   UNL     1       1.630   0.403  -5.976  1.00  0.00           O  
HETATM    3  O   UNL     1       1.209  -1.856  -7.020  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.691  -0.047  -6.858  1.00  0.00           O  
HETATM    5  P   UNL     1      -0.393   0.025  -3.847  1.00  0.00           P  
HETATM    6  O   UNL     1      -1.573   0.575  -4.551  1.00  0.00           O  
HETATM    7  O   UNL     1       0.734   1.167  -3.718  1.00  0.00           O  
HETATM    8  O   UNL     1       0.196  -1.219  -4.679  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.827  -0.467  -2.377  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.340   0.676  -1.692  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.773   0.273  -0.281  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.643  -0.222   0.469  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.259   1.509   0.508  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.686   1.591   0.480  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.757   1.257   1.949  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.859   1.178   2.856  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.025  -0.099   1.857  1.00  0.00           C  
HETATM   18  N   UNL     1       0.162  -0.096   2.714  1.00  0.00           N  
HETATM   19  C   UNL     1       0.221  -0.505   4.014  1.00  0.00           C  
HETATM   20 BR   UNL     1      -1.242  -1.175   5.007  1.00  0.00          Br  
HETATM   21  N   UNL     1       1.433  -0.367   4.469  1.00  0.00           N  
HETATM   22  C   UNL     1       2.228   0.132   3.492  1.00  0.00           C  
HETATM   23  C   UNL     1       3.584   0.486   3.407  1.00  0.00           C  
HETATM   24  N   UNL     1       4.426   0.332   4.495  1.00  0.00           N  
HETATM   25  N   UNL     1       4.042   0.969   2.256  1.00  0.00           N  
HETATM   26  C   UNL     1       3.247   1.119   1.213  1.00  0.00           C  
HETATM   27  N   UNL     1       1.968   0.806   1.248  1.00  0.00           N  
HETATM   28  C   UNL     1       1.421   0.317   2.356  1.00  0.00           C  
HETATM   29  H   UNL     1       1.443  -1.477  -7.878  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.330  -0.769  -6.938  1.00  0.00           H  
HETATM   31  H   UNL     1       1.483   0.769  -3.254  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.197   1.071  -2.236  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.565   1.440  -1.630  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.559  -0.480  -0.326  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.818   2.419   0.102  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.930   2.378   0.987  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.066   2.043   2.255  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.310   2.033   2.823  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.694  -0.911   2.139  1.00  0.00           H  
HETATM   40  H   UNL     1       5.362   0.577   4.423  1.00  0.00           H  
HETATM   41  H   UNL     1       4.079  -0.016   5.331  1.00  0.00           H  
HETATM   42  H   UNL     1       3.660   1.514   0.297  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    8                                                      
CONECT    2    1    1                                                 
CONECT    3    1   29                                                 
CONECT    4    1   30                                                 
CONECT    5    6    6    7    8                                       
CONECT    5    9                                                      
CONECT    6    5    5                                                 
CONECT    7    5   31                                                 
CONECT    8    1    5                                                 
CONECT    9    5   10                                                 
CONECT   10    9   11   32   33                                       
CONECT   11   10   12   13   34                                       
CONECT   12   11   17                                                 
CONECT   13   11   14   15   35                                       
CONECT   14   13   36                                                 
CONECT   15   13   16   17   37                                       
CONECT   16   15   38                                                 
CONECT   17   12   15   18   39                                       
CONECT   18   17   19   28                                            
CONECT   19   18   20   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19   22                                            
CONECT   22   21   23   28   28                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   40   41                                            
CONECT   25   23   23   26                                            
CONECT   26   25   27   27   42                                       
CONECT   27   26   26   28                                            
CONECT   28   18   22   22   27                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
