COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       0.345   1.313   0.251  1.00  0.00           B  
HETATM    2  P   UNL     1      -6.338   3.453   0.144  1.00  0.00           P  
HETATM    3  N   UNL     1      -1.381  -5.980  -0.163  1.00  0.00           N  
HETATM    4  O   UNL     1       1.712   1.691   0.320  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.836  -5.104   0.660  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.195  -3.838   0.683  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.137  -3.386  -0.138  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.748  -4.280  -1.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.331  -5.621  -1.021  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.896  -6.547  -1.880  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.658  -3.572  -1.745  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.646  -2.331  -1.352  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.724  -2.166  -0.362  1.00  0.00           N  
HETATM   14 BR   UNL     1       4.187  -1.950   0.934  1.00  0.00          Br  
HETATM   15  C   UNL     1      -2.415  -0.915   0.335  1.00  0.00           C  
HETATM   16  C   UNL     1       2.564   0.689   0.879  1.00  0.00           C  
HETATM   17  C   UNL     1       3.941   0.809   0.279  1.00  0.00           C  
HETATM   18  C   UNL     1       4.371   2.022  -0.225  1.00  0.00           C  
HETATM   19  C   UNL     1       4.776  -0.293   0.237  1.00  0.00           C  
HETATM   20  C   UNL     1       6.040  -0.186  -0.313  1.00  0.00           C  
HETATM   21  C   UNL     1       6.472   1.024  -0.823  1.00  0.00           C  
HETATM   22  C   UNL     1       5.639   2.132  -0.777  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.427   3.338   1.324  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.212  -0.226  -0.334  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.226   0.070   0.682  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.954   3.041  -1.137  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.745   1.187  -0.720  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.735   2.098  -0.255  1.00  0.00           O  
HETATM   29  C   UNL     1       2.650   0.880   2.395  1.00  0.00           C  
HETATM   30  N   UNL     1       1.330   0.645   2.994  1.00  0.00           N  
HETATM   31  O   UNL     1       6.064   3.323  -1.273  1.00  0.00           O  
HETATM   32  C   UNL     1       7.380   3.363  -1.827  1.00  0.00           C  
HETATM   33  C   UNL     1       7.679   4.777  -2.331  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.829   4.976   0.030  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.991   1.325   0.187  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.533  -0.011   0.236  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.002   2.292  -0.435  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.088   2.492   0.472  1.00  0.00           O  
HETATM   39  H   UNL     1      -0.067  -5.438   1.341  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.599  -7.470  -1.862  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.588  -6.272  -2.501  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.273  -1.548  -1.752  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.189  -1.120   1.382  1.00  0.00           H  
HETATM   44  H   UNL     1       2.157  -0.298   0.660  1.00  0.00           H  
HETATM   45  H   UNL     1       3.721   2.883  -0.188  1.00  0.00           H  
HETATM   46  H   UNL     1       6.691  -1.047  -0.344  1.00  0.00           H  
HETATM   47  H   UNL     1       7.460   1.107  -1.252  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.210   3.891   1.192  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.808  -0.790  -1.174  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.973   1.287  -1.781  1.00  0.00           H  
HETATM   51  H   UNL     1       3.368   0.173   2.810  1.00  0.00           H  
HETATM   52  H   UNL     1       2.973   1.898   2.615  1.00  0.00           H  
HETATM   53  H   UNL     1       0.980  -0.269   2.750  1.00  0.00           H  
HETATM   54  H   UNL     1       1.360   0.765   3.995  1.00  0.00           H  
HETATM   55  H   UNL     1       8.106   3.090  -1.061  1.00  0.00           H  
HETATM   56  H   UNL     1       7.447   2.660  -2.658  1.00  0.00           H  
HETATM   57  H   UNL     1       8.684   4.807  -2.754  1.00  0.00           H  
HETATM   58  H   UNL     1       6.954   5.050  -3.098  1.00  0.00           H  
HETATM   59  H   UNL     1       7.613   5.480  -1.501  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.413   5.313   0.835  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.705   1.662   1.183  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.516   3.246  -0.636  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.380   1.872  -1.367  1.00  0.00           H  
CONECT    1   25    4   28                                            
CONECT    2   38   26   26   23                                       
CONECT    2   34                                                      
CONECT    3    5    5    9                                            
CONECT    4    1   16                                                 
CONECT    5    3    3    6   39                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6    8   13                                       
CONECT    8    7    9    9   11                                       
CONECT    9    3    8    8   10                                       
CONECT   10    9   40   41                                            
CONECT   11    8   12   12                                            
CONECT   12   11   11   13   42                                       
CONECT   13    7   12   15                                            
CONECT   14   19                                                      
CONECT   15   13   24   36   43                                       
CONECT   16    4   29   17   44                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   22   45                                       
CONECT   19   14   17   20   20                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   47                                       
CONECT   22   18   21   21   31                                       
CONECT   23    2   48                                                 
CONECT   24   15   25   27   49                                       
CONECT   25    1   24                                                 
CONECT   26    2    2                                                 
CONECT   27   24   35   28   50                                       
CONECT   28    1   27                                                 
CONECT   29   16   30   51   52                                       
CONECT   30   29   53   54                                            
CONECT   31   22   32                                                 
CONECT   32   31   33   55   56                                       
CONECT   33   32   57   58   59                                       
CONECT   34    2   60                                                 
CONECT   35   27   36   37   61                                       
CONECT   36   15   35                                                 
CONECT   37   35   38   62   63                                       
CONECT   38    2   37                                                 
CONECT   39    5                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
