COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.451  -1.687   1.021  1.00  0.00           C  
HETATM    2  C   UNL     1       2.885   1.592  -0.443  1.00  0.00           C  
HETATM    3  C   UNL     1       3.872   0.848   0.162  1.00  0.00           C  
HETATM    4  C   UNL     1       0.788  -3.332  -1.927  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.303  -4.127  -1.258  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.785  -5.088  -1.819  1.00  0.00           O  
HETATM    7  N   UNL     1      -0.744  -3.770  -0.035  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.727  -4.598   0.678  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.910  -3.716   1.087  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.395  -2.520   1.891  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.962  -0.474   1.815  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.156   0.386   0.945  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.626   1.348   0.092  1.00  0.00           C  
HETATM   14  N   UNL     1       0.378   1.920  -0.528  1.00  0.00           N  
HETATM   15  C   UNL     1       1.544   1.366  -0.114  1.00  0.00           C  
HETATM   16 BR   UNL     1       5.685   1.161  -0.276  1.00  0.00          Br  
HETATM   17  C   UNL     1       3.547  -0.130   1.092  1.00  0.00           C  
HETATM   18  C   UNL     1       2.230  -0.370   1.423  1.00  0.00           C  
HETATM   19  C   UNL     1       1.222   0.378   0.832  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.050   1.691  -0.102  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.801   2.241   0.963  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.111   2.547   0.758  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.937   3.136   1.873  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.689   2.311  -0.503  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.863   2.583  -0.692  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.956   1.786  -1.502  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.579   1.549  -2.806  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.655   1.481  -1.322  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.251  -2.546   0.611  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.979  -1.350   0.129  1.00  0.00           H  
HETATM   31  H   UNL     1       3.145   2.352  -1.165  1.00  0.00           H  
HETATM   32  H   UNL     1       0.351  -2.478  -2.444  1.00  0.00           H  
HETATM   33  H   UNL     1       1.494  -2.980  -1.175  1.00  0.00           H  
HETATM   34  H   UNL     1       1.309  -3.964  -2.646  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.075  -5.397   0.023  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.266  -5.028   1.567  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.425  -3.360   0.195  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.601  -4.295   1.700  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.860  -2.876   2.770  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.238  -1.903   2.205  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.820   0.087   2.185  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.357  -0.809   2.656  1.00  0.00           H  
HETATM   43  H   UNL     1       4.332  -0.708   1.560  1.00  0.00           H  
HETATM   44  H   UNL     1       1.985  -1.133   2.147  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.342   2.416   1.924  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.868   4.223   1.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.977   2.834   1.753  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.562   2.776   2.831  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.624   1.857  -2.771  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.056   2.126  -3.569  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.520   0.488  -3.050  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.084   1.064  -2.139  1.00  0.00           H  
HETATM   53  H   UNL     1       0.375  -1.991  -0.088  1.00  0.00           H  
HETATM   54  H   UNL     1       0.331  -2.809   1.495  1.00  0.00           H  
CONECT    1   10   11   29   30                                       
CONECT    2   15    3    3   31                                       
CONECT    3    2    2   16   17                                       
CONECT    4    5   32   33   34                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   29    8                                            
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9    1   39   40                                       
CONECT   11    1   12   41   42                                       
CONECT   12   11   19   13                                            
CONECT   13   12   14   14   20                                       
CONECT   14   13   13   15                                            
CONECT   15   14   19   19    2                                       
CONECT   16    3                                                      
CONECT   17    3   18   18   43                                       
CONECT   18   17   17   19   44                                       
CONECT   19   12   15   15   18                                       
CONECT   20   13   28   28   21                                       
CONECT   21   20   22   22   45                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   46   47   48                                       
CONECT   24   22   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   28                                            
CONECT   27   26   49   50   51                                       
CONECT   28   20   20   26   52                                       
CONECT   29    7    1   53   54                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
