COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       0.914  -3.237   0.114  1.00  0.00          Br  
HETATM    2  C   UNL     1       1.372  -1.410   0.279  1.00  0.00           C  
HETATM    3  C   UNL     1       2.698  -1.037   0.400  1.00  0.00           C  
HETATM    4  C   UNL     1       3.033   0.298   0.520  1.00  0.00           C  
HETATM    5  C   UNL     1       4.479   0.702   0.652  1.00  0.00           C  
HETATM    6  N   UNL     1       5.047   0.933  -0.683  1.00  0.00           N  
HETATM    7  C   UNL     1       6.306   1.683  -0.597  1.00  0.00           C  
HETATM    8  C   UNL     1       6.064   2.992   0.109  1.00  0.00           C  
HETATM    9  O   UNL     1       4.939   3.318   0.408  1.00  0.00           O  
HETATM   10  O   UNL     1       7.097   3.796   0.407  1.00  0.00           O  
HETATM   11  C   UNL     1       7.337   0.865   0.185  1.00  0.00           C  
HETATM   12  C   UNL     1       7.565  -0.472  -0.525  1.00  0.00           C  
HETATM   13  C   UNL     1       6.230  -1.212  -0.645  1.00  0.00           C  
HETATM   14  C   UNL     1       5.232  -0.334  -1.403  1.00  0.00           C  
HETATM   15  C   UNL     1       2.045   1.265   0.520  1.00  0.00           C  
HETATM   16  C   UNL     1       0.718   0.898   0.399  1.00  0.00           C  
HETATM   17  C   UNL     1       0.379  -0.441   0.273  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.926  -0.804   0.154  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.895   0.246   0.166  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.275  -0.343   0.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.433  -1.713  -0.091  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.696  -2.260  -0.221  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.808  -1.441  -0.237  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.655  -0.062  -0.121  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.379   0.484   0.015  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.207   1.975   0.147  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.846   0.824  -0.137  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.914   1.888  -1.033  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.024   2.708  -1.044  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.067   2.475  -0.167  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.005   1.420   0.726  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.902   0.590   0.740  1.00  0.00           C  
HETATM   33  H   UNL     1       3.472  -1.790   0.400  1.00  0.00           H  
HETATM   34  H   UNL     1       4.549   1.617   1.240  1.00  0.00           H  
HETATM   35  H   UNL     1       5.034  -0.093   1.150  1.00  0.00           H  
HETATM   36  H   UNL     1       6.683   1.877  -1.601  1.00  0.00           H  
HETATM   37  H   UNL     1       6.892   4.625   0.860  1.00  0.00           H  
HETATM   38  H   UNL     1       8.276   1.416   0.236  1.00  0.00           H  
HETATM   39  H   UNL     1       6.967   0.684   1.194  1.00  0.00           H  
HETATM   40  H   UNL     1       7.972  -0.291  -1.520  1.00  0.00           H  
HETATM   41  H   UNL     1       8.266  -1.076   0.052  1.00  0.00           H  
HETATM   42  H   UNL     1       6.378  -2.145  -1.187  1.00  0.00           H  
HETATM   43  H   UNL     1       5.842  -1.427   0.351  1.00  0.00           H  
HETATM   44  H   UNL     1       4.276  -0.852  -1.477  1.00  0.00           H  
HETATM   45  H   UNL     1       5.614  -0.131  -2.403  1.00  0.00           H  
HETATM   46  H   UNL     1       2.309   2.307   0.618  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.054   1.654   0.399  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.828   0.792   1.107  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.704   0.926  -0.664  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.566  -2.357  -0.080  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.814  -3.330  -0.311  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.794  -1.870  -0.339  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.020   2.408  -0.836  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.113   2.410   0.569  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.362   2.187   0.803  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.099   2.071  -1.719  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.077   3.534  -1.738  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.934   3.120  -0.178  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.822   1.243   1.409  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.855  -0.234   1.437  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   17   17    3    1                                       
CONECT    3    4    4    2   33                                       
CONECT    4   15    5    3    3                                       
CONECT    5    6    4   34   35                                       
CONECT    6   14    5    7                                            
CONECT    7   11    8    6   36                                       
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   37                                                 
CONECT   11   12    7   38   39                                       
CONECT   12   13   11   40   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13    6   44   45                                       
CONECT   15   16   16    4   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17   16   18    2    2                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   48   49                                       
CONECT   20   19   25   25   21                                       
CONECT   21   20   22   22   50                                       
CONECT   22   21   21   23   51                                       
CONECT   23   24   24   22   52                                       
CONECT   24   25   27   23   23                                       
CONECT   25   26   20   20   24                                       
CONECT   26   25   53   54   55                                       
CONECT   27   28   28   32   24                                       
CONECT   28   29   27   27   56                                       
CONECT   29   30   30   28   57                                       
CONECT   30   29   29   31   58                                       
CONECT   31   30   32   32   59                                       
CONECT   32   31   31   27   60                                       
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
