COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -2.759   0.195   1.987  1.00  0.00          Br  
HETATM    2  O   UNL     1       2.614   1.789  -0.139  1.00  0.00           O  
HETATM    3  P   UNL     1       1.358   2.740   0.195  1.00  0.00           P  
HETATM    4  P   UNL     1       4.016   1.491   0.592  1.00  0.00           P  
HETATM    5  C   UNL     1      -3.778   0.363  -1.186  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.474  -4.066  -0.867  1.00  0.00           N  
HETATM    7  O   UNL     1       1.697   4.251  -0.243  1.00  0.00           O  
HETATM    8  C   UNL     1       7.588  -2.230  -2.115  1.00  0.00           C  
HETATM    9  O   UNL     1       3.786   1.299   2.042  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.563   1.645  -0.811  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.806   1.706  -1.513  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.330  -3.260  -1.903  1.00  0.00           C  
HETATM   13  O   UNL     1       1.080   2.698   1.648  1.00  0.00           O  
HETATM   14  C   UNL     1       8.477  -2.416  -0.859  1.00  0.00           C  
HETATM   15  O   UNL     1       9.159  -3.671  -0.898  1.00  0.00           O  
HETATM   16  O   UNL     1       5.014   2.735   0.368  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.605   2.764  -1.287  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.996   3.242  -2.575  1.00  0.00           O  
HETATM   19  N   UNL     1      -5.611  -2.158  -1.847  1.00  0.00           N  
HETATM   20  C   UNL     1       7.434  -2.388   0.284  1.00  0.00           C  
HETATM   21  O   UNL     1       7.090  -3.718   0.680  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.228   2.075  -1.362  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.404   0.719  -0.919  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.992  -1.810  -0.724  1.00  0.00           C  
HETATM   25  C   UNL     1       6.215  -1.677  -0.334  1.00  0.00           C  
HETATM   26  O   UNL     1       6.573  -1.302  -1.675  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.235   2.796  -0.450  1.00  0.00           C  
HETATM   28  O   UNL     1       0.064   2.224  -0.614  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.115  -2.635   0.408  1.00  0.00           C  
HETATM   30  C   UNL     1       5.872  -0.429   0.481  1.00  0.00           C  
HETATM   31  O   UNL     1       4.673   0.158  -0.028  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.892  -3.799   0.298  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.050  -4.650   1.379  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.397  -2.058   1.402  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.854  -0.958   0.963  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.193  -0.762  -0.343  1.00  0.00           N  
HETATM   37  H   UNL     1      -3.914   0.124  -2.241  1.00  0.00           H  
HETATM   38  H   UNL     1       8.166  -1.806  -2.935  1.00  0.00           H  
HETATM   39  H   UNL     1       7.139  -3.178  -2.410  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.724   1.702   0.266  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.334   2.490  -1.311  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.819  -3.514  -2.832  1.00  0.00           H  
HETATM   43  H   UNL     1       9.186  -1.593  -0.760  1.00  0.00           H  
HETATM   44  H   UNL     1       9.758  -3.770  -1.650  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.585   3.582  -0.567  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.880   3.634  -2.598  1.00  0.00           H  
HETATM   47  H   UNL     1       7.816  -1.824   1.136  1.00  0.00           H  
HETATM   48  H   UNL     1       7.835  -4.231   1.023  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.865   2.085  -2.390  1.00  0.00           H  
HETATM   50  H   UNL     1       5.361  -2.355  -0.354  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.202   3.854  -0.712  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.551   2.688   0.588  1.00  0.00           H  
HETATM   53  H   UNL     1       5.725  -0.706   1.525  1.00  0.00           H  
HETATM   54  H   UNL     1       6.688   0.289   0.407  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.589  -5.451   1.291  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.620  -4.445   2.224  1.00  0.00           H  
HETATM   57  H   UNL     1       1.890   4.354  -1.185  1.00  0.00           H  
HETATM   58  H   UNL     1       5.210   2.919  -0.561  1.00  0.00           H  
CONECT    1   35                                                      
CONECT    2    3    4                                                 
CONECT    3    2    7   13   13                                       
CONECT    3   28                                                      
CONECT    4    2    9    9   16                                       
CONECT    4   31                                                      
CONECT    5   10   23   36   37                                       
CONECT    6   12   12   32                                            
CONECT    7    3   57                                                 
CONECT    8   14   26   38   39                                       
CONECT    9    4    4                                                 
CONECT   10    5   11   17   40                                       
CONECT   11   10   41                                                 
CONECT   12    6    6   19   42                                       
CONECT   13    3    3                                                 
CONECT   14    8   15   20   43                                       
CONECT   15   14   44                                                 
CONECT   16    4   58                                                 
CONECT   17   10   18   22   45                                       
CONECT   18   17   46                                                 
CONECT   19   12   24   24                                            
CONECT   20   14   21   25   47                                       
CONECT   21   20   48                                                 
CONECT   22   17   23   27   49                                       
CONECT   23    5   22                                                 
CONECT   24   19   19   29   36                                       
CONECT   25   20   26   30   50                                       
CONECT   26    8   25                                                 
CONECT   27   22   28   51   52                                       
CONECT   28    3   27                                                 
CONECT   29   24   32   32   34                                       
CONECT   30   25   31   53   54                                       
CONECT   31    4   30                                                 
CONECT   32    6   29   29   33                                       
CONECT   33   32   55   56                                            
CONECT   34   29   35   35                                            
CONECT   35    1   34   34   36                                       
CONECT   36    5   24   35                                            
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57    7                                                      
CONECT   58   16                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
