COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.495   1.483  -0.612  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.963   1.059  -0.534  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.237   0.479   0.787  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.668   0.188   0.947  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.426  -0.723   1.018  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.942  -0.352   0.986  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.603   0.261  -0.375  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.134   0.689  -0.391  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.300  -0.466  -0.287  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.957  -0.259  -0.287  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.465   1.024  -0.379  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.087  -1.354  -0.186  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.596  -2.611  -0.092  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.659  -3.685   0.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.733  -1.172  -0.184  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.208   0.122  -0.282  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.081   1.234  -0.378  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.551   2.464  -0.465  1.00  0.00           N  
HETATM   19  C   UNL     1       0.750   2.630  -0.462  1.00  0.00           C  
HETATM   20  N   UNL     1       1.604   1.622  -0.374  1.00  0.00           N  
HETATM   21  C   UNL     1       1.186   0.366  -0.283  1.00  0.00           C  
HETATM   22  N   UNL     1       2.088  -0.674  -0.186  1.00  0.00           N  
HETATM   23  C   UNL     1       3.455  -0.406  -0.051  1.00  0.00           C  
HETATM   24  C   UNL     1       3.879   0.845   0.376  1.00  0.00           C  
HETATM   25  C   UNL     1       5.229   1.108   0.508  1.00  0.00           C  
HETATM   26  C   UNL     1       6.159   0.126   0.216  1.00  0.00           C  
HETATM   27 BR   UNL     1       8.005   0.491   0.400  1.00  0.00          Br  
HETATM   28  C   UNL     1       5.741  -1.122  -0.210  1.00  0.00           C  
HETATM   29  C   UNL     1       4.391  -1.393  -0.339  1.00  0.00           C  
HETATM   30  F   UNL     1       3.983  -2.614  -0.750  1.00  0.00           F  
HETATM   31  H   UNL     1      -7.288   1.899  -1.598  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.291   2.235   0.150  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.601   1.930  -0.688  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.168   0.317  -1.306  1.00  0.00           H  
HETATM   35  H   UNL     1     -10.982  -0.521   0.182  1.00  0.00           H  
HETATM   36  H   UNL     1     -10.843  -0.240   1.934  1.00  0.00           H  
HETATM   37  H   UNL     1     -11.240   1.110   0.845  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.674  -1.147   1.991  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.634  -1.456   0.239  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.730   0.371   1.774  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.340  -1.248   1.143  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.776  -0.474  -1.161  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.918   1.211  -1.324  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.940   1.355   0.450  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.142   1.862  -0.452  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.044  -3.550   0.898  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.196  -4.631   0.077  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.021  -3.693  -0.876  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.071  -2.022  -0.106  1.00  0.00           H  
HETATM   50  H   UNL     1       1.142   3.634  -0.534  1.00  0.00           H  
HETATM   51  H   UNL     1       1.774  -1.592  -0.212  1.00  0.00           H  
HETATM   52  H   UNL     1       3.154   1.612   0.604  1.00  0.00           H  
HETATM   53  H   UNL     1       5.559   2.081   0.840  1.00  0.00           H  
HETATM   54  H   UNL     1       6.469  -1.887  -0.438  1.00  0.00           H  
CONECT    1    2    7   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4    5                                            
CONECT    4    3   35   36   37                                       
CONECT    5    3    6   38   39                                       
CONECT    6    7    5   40   41                                       
CONECT    7    1    8    6   42                                       
CONECT    8    7    9   43   44                                       
CONECT    9    8   10                                                 
CONECT   10   11    9   12   12                                       
CONECT   11   17   17   10   45                                       
CONECT   12   10   10   15   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   46   47   48                                       
CONECT   15   16   16   12   49                                       
CONECT   16   17   21   15   15                                       
CONECT   17   18   11   11   16                                       
CONECT   18   19   19   17                                            
CONECT   19   18   18   20   50                                       
CONECT   20   19   21   21                                            
CONECT   21   20   20   16   22                                       
CONECT   22   21   23   51                                            
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25   52                                       
CONECT   25   24   26   26   53                                       
CONECT   26   25   25   28   27                                       
CONECT   27   26                                                      
CONECT   28   29   29   26   54                                       
CONECT   29   23   28   28   30                                       
CONECT   30   29                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
