COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.142  -0.056   5.625  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.094  -0.026  -1.186  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.978   0.091  -2.166  1.00  0.00           C  
HETATM    4  C   UNL     1       0.201  -0.123  -1.446  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.165   0.010  -3.718  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.537   0.114  -3.476  1.00  0.00           C  
HETATM    7  N   UNL     1       0.665  -0.100  -2.687  1.00  0.00           N  
HETATM    8  C   UNL     1       4.432   0.072  -5.694  1.00  0.00           C  
HETATM    9  C   UNL     1       3.593  -0.578  -6.580  1.00  0.00           C  
HETATM   10  C   UNL     1       2.230  -0.594  -6.358  1.00  0.00           C  
HETATM   11  C   UNL     1       1.702   0.043  -5.244  1.00  0.00           C  
HETATM   12  C   UNL     1       3.909   0.709  -4.583  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.028  -1.186   2.458  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.559  -1.064   1.165  1.00  0.00           C  
HETATM   15  C   UNL     1       2.547   0.701  -4.358  1.00  0.00           C  
HETATM   16  C   UNL     1       0.617  -0.370   0.916  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.324  -0.617   3.508  1.00  0.00           C  
HETATM   18  C   UNL     1       0.848   0.080   3.261  1.00  0.00           C  
HETATM   19  C   UNL     1       1.321   0.199   1.969  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.787  -0.738   4.781  1.00  0.00           O  
HETATM   21  N   UNL     1       0.323   0.029  -5.016  1.00  0.00           N  
HETATM   22  N   UNL     1       1.093  -0.245  -0.394  1.00  0.00           N  
HETATM   23 BR   UNL     1      -2.762   0.282  -4.906  1.00  0.00          Br  
HETATM   24  C   UNL     1      -0.321  -0.154   7.080  1.00  0.00           C  
HETATM   25  C   UNL     1       0.673   0.574   7.984  1.00  0.00           C  
HETATM   26  N   UNL     1       0.258   0.432   9.385  1.00  0.00           N  
HETATM   27  C   UNL     1       0.618  -0.931   9.796  1.00  0.00           C  
HETATM   28  C   UNL     1       1.099   1.345  10.170  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.612   0.445   7.210  1.00  0.00           O  
HETATM   30  H   UNL     1       0.198   0.991   5.332  1.00  0.00           H  
HETATM   31  H   UNL     1       1.126  -0.514   5.526  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.032   0.169  -1.944  1.00  0.00           H  
HETATM   33  H   UNL     1       5.498   0.083  -5.870  1.00  0.00           H  
HETATM   34  H   UNL     1       4.005  -1.074  -7.447  1.00  0.00           H  
HETATM   35  H   UNL     1       1.576  -1.103  -7.051  1.00  0.00           H  
HETATM   36  H   UNL     1       4.567   1.216  -3.893  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.944  -1.725   2.651  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.107  -1.507   0.347  1.00  0.00           H  
HETATM   39  H   UNL     1       2.139   1.199  -3.491  1.00  0.00           H  
HETATM   40  H   UNL     1       1.396   0.523   4.079  1.00  0.00           H  
HETATM   41  H   UNL     1       2.237   0.738   1.777  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.291   0.032  -5.766  1.00  0.00           H  
HETATM   43  H   UNL     1       2.048  -0.244  -0.565  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.378  -1.203   7.373  1.00  0.00           H  
HETATM   45  H   UNL     1       0.698   1.631   7.718  1.00  0.00           H  
HETATM   46  H   UNL     1       1.666   0.143   7.853  1.00  0.00           H  
HETATM   47  H   UNL     1       0.328  -1.086  10.835  1.00  0.00           H  
HETATM   48  H   UNL     1       0.099  -1.650   9.163  1.00  0.00           H  
HETATM   49  H   UNL     1       1.695  -1.068   9.695  1.00  0.00           H  
HETATM   50  H   UNL     1       0.929   2.370   9.840  1.00  0.00           H  
HETATM   51  H   UNL     1       0.845   1.257  11.226  1.00  0.00           H  
HETATM   52  H   UNL     1       2.148   1.087  10.026  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.518   1.370   6.941  1.00  0.00           H  
CONECT    1   20   24   30   31                                       
CONECT    2    3    3    4                                            
CONECT    3    2    2    6   32                                       
CONECT    4    2    7    7   22                                       
CONECT    5    6    6    7   21                                       
CONECT    6    3    5    5   23                                       
CONECT    7    4    4    5                                            
CONECT    8    9    9   12   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   11   11   35                                       
CONECT   11   10   10   15   21                                       
CONECT   12    8   15   15   36                                       
CONECT   13   14   14   17   37                                       
CONECT   14   13   13   16   38                                       
CONECT   15   11   12   12   39                                       
CONECT   16   14   19   19   22                                       
CONECT   17   13   18   18   20                                       
CONECT   18   17   17   19   40                                       
CONECT   19   16   16   18   41                                       
CONECT   20    1   17                                                 
CONECT   21    5   11   42                                            
CONECT   22    4   16   43                                            
CONECT   23    6                                                      
CONECT   24    1   25   29   44                                       
CONECT   25   24   26   45   46                                       
CONECT   26   25   27   28                                            
CONECT   27   26   47   48   49                                       
CONECT   28   26   50   51   52                                       
CONECT   29   24   53                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
