COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       6.277  -1.583  -1.049  1.00  0.00          Br  
HETATM    2  C   UNL     1       5.207  -0.607   0.166  1.00  0.00           C  
HETATM    3  C   UNL     1       5.761   0.434   0.899  1.00  0.00           C  
HETATM    4  C   UNL     1       4.973   1.148   1.789  1.00  0.00           C  
HETATM    5  C   UNL     1       3.639   0.822   1.945  1.00  0.00           C  
HETATM    6  C   UNL     1       3.090  -0.216   1.215  1.00  0.00           C  
HETATM    7  C   UNL     1       3.871  -0.925   0.322  1.00  0.00           C  
HETATM    8  C   UNL     1       1.635  -0.570   1.389  1.00  0.00           C  
HETATM    9  C   UNL     1       0.793   0.235   0.397  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.660  -0.223   0.479  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.478   0.375  -0.662  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.651   1.880  -0.449  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.020   2.678  -0.512  1.00  0.00           S  
HETATM   14  C   UNL     1       0.891   1.724   0.738  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.150   4.017  -0.055  1.00  0.00           O  
HETATM   16  O   UNL     1       0.559   2.431  -1.786  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.799  -0.267  -0.704  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.558   0.012   0.522  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.904  -0.661   0.443  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.981   0.010  -0.106  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.216  -0.607  -0.179  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.374  -1.895   0.297  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.297  -2.566   0.846  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.061  -1.951   0.914  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.390   0.124  -0.778  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.611   0.351   0.116  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.672  -0.675  -1.018  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.710  -1.649   0.397  1.00  0.00           O  
HETATM   29  O   UNL     1       7.073   0.753   0.743  1.00  0.00           O  
HETATM   30  H   UNL     1       5.402   1.959   2.360  1.00  0.00           H  
HETATM   31  H   UNL     1       3.026   1.378   2.639  1.00  0.00           H  
HETATM   32  H   UNL     1       3.439  -1.732  -0.250  1.00  0.00           H  
HETATM   33  H   UNL     1       1.496  -1.635   1.204  1.00  0.00           H  
HETATM   34  H   UNL     1       1.323  -0.334   2.406  1.00  0.00           H  
HETATM   35  H   UNL     1       1.167   0.069  -0.613  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.085   0.096   1.431  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.962   0.200  -1.607  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.287   2.289  -1.234  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.108   2.060   0.524  1.00  0.00           H  
HETATM   40  H   UNL     1       0.457   1.903   1.721  1.00  0.00           H  
HETATM   41  H   UNL     1       1.938   2.029   0.738  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.315   0.021  -1.522  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.011  -0.372   1.383  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.695   1.088   0.628  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.857   1.016  -0.478  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.339  -2.377   0.241  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.421  -3.572   1.219  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.219  -2.477   1.339  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.140   0.904  -1.497  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.565  -0.029   1.137  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.165   1.281  -0.016  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.267  -0.420  -1.896  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.667  -1.730  -0.744  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.592  -2.021   0.533  1.00  0.00           H  
HETATM   55  H   UNL     1       7.239   1.412   0.055  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    8    7                                       
CONECT    7    2    2    6   32                                       
CONECT    8    6    9   33   34                                       
CONECT    9    8   10   14   35                                       
CONECT   10    9   28   11   36                                       
CONECT   11   10   17   12   37                                       
CONECT   12   11   13   38   39                                       
CONECT   13   12   14   15   15                                       
CONECT   13   16   16                                                 
CONECT   14    9   13   40   41                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17   11   18   42                                            
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   45                                       
CONECT   21   20   25   22   22                                       
CONECT   22   21   21   23   46                                       
CONECT   23   22   24   24   47                                       
CONECT   24   19   23   23   48                                       
CONECT   25   21   26   27   49                                       
CONECT   26   25   27   50   51                                       
CONECT   27   25   26   52   53                                       
CONECT   28   10   54                                                 
CONECT   29    3   55                                                 
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
