COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.162  -0.865  -0.147  1.00  0.00           C  
HETATM    2  C   UNL     1       3.368  -0.206  -0.286  1.00  0.00           C  
HETATM    3  C   UNL     1       3.428   1.179  -0.157  1.00  0.00           C  
HETATM    4  C   UNL     1       2.289   1.908   0.109  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.451  -4.096  -2.260  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.994  -3.696  -0.856  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.438  -2.355  -0.891  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.986  -1.849   0.274  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.053  -2.511   1.291  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.411  -0.499   0.313  1.00  0.00           C  
HETATM   11  C   UNL     1       1.005  -0.136   0.116  1.00  0.00           C  
HETATM   12  C   UNL     1       2.097  -2.365  -0.285  1.00  0.00           C  
HETATM   13  N   UNL     1       2.307  -2.987   1.029  1.00  0.00           N  
HETATM   14  C   UNL     1       2.018  -4.427   0.982  1.00  0.00           C  
HETATM   15  C   UNL     1       3.670  -2.740   1.517  1.00  0.00           C  
HETATM   16  O   UNL     1       4.500  -0.912  -0.548  1.00  0.00           O  
HETATM   17 BR   UNL     1       5.085   2.068  -0.349  1.00  0.00          Br  
HETATM   18  C   UNL     1       1.066   1.260   0.252  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.214   1.707   0.514  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.584   3.110   0.717  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.079   0.666   0.556  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.559   0.779   0.818  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.437   0.993  -0.754  1.00  0.00           S  
HETATM   24  C   UNL     1      -5.123   1.105  -0.255  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.122   1.277  -1.206  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.442   1.363  -0.811  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.771   1.280   0.530  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.780   1.109   1.479  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.458   1.015   1.091  1.00  0.00           C  
HETATM   30  H   UNL     1       2.345   2.982   0.207  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.212  -3.397  -2.607  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.600  -4.073  -2.940  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.868  -5.103  -2.233  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.845  -3.719  -0.176  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.233  -4.395  -0.509  1.00  0.00           H  
HETATM   36  H   UNL     1       1.119  -2.652  -0.672  1.00  0.00           H  
HETATM   37  H   UNL     1       2.873  -2.700  -0.974  1.00  0.00           H  
HETATM   38  H   UNL     1       2.678  -4.906   0.258  1.00  0.00           H  
HETATM   39  H   UNL     1       2.181  -4.863   1.967  1.00  0.00           H  
HETATM   40  H   UNL     1       0.980  -4.580   0.684  1.00  0.00           H  
HETATM   41  H   UNL     1       3.833  -1.666   1.609  1.00  0.00           H  
HETATM   42  H   UNL     1       3.798  -3.211   2.491  1.00  0.00           H  
HETATM   43  H   UNL     1       4.390  -3.158   0.813  1.00  0.00           H  
HETATM   44  H   UNL     1       4.681  -1.030  -1.491  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.847   3.559  -0.241  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.439   3.166   1.391  1.00  0.00           H  
HETATM   47  H   UNL     1       0.258   3.648   1.152  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.911  -0.128   1.310  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.750   1.638   1.461  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.865   1.343  -2.253  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.218   1.497  -1.549  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.804   1.348   0.836  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.041   1.044   2.526  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.685   0.881   1.833  1.00  0.00           H  
CONECT    1    2    2   11   12                                       
CONECT    2    3   16    1    1                                       
CONECT    3   17    4    4    2                                       
CONECT    4    3    3   18   30                                       
CONECT    5    6   31   32   33                                       
CONECT    6    7    5   34   35                                       
CONECT    7    8    6                                                 
CONECT    8   10    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10   11   21   21    8                                       
CONECT   11   18   18    1   10                                       
CONECT   12    1   13   36   37                                       
CONECT   13   12   15   14                                            
CONECT   14   13   38   39   40                                       
CONECT   15   13   41   42   43                                       
CONECT   16    2   44                                                 
CONECT   17    3                                                      
CONECT   18    4   19   11   11                                       
CONECT   19   20   18   21                                            
CONECT   20   19   45   46   47                                       
CONECT   21   19   22   10   10                                       
CONECT   22   23   21   48   49                                       
CONECT   23   24   22                                                 
CONECT   24   29   29   25   23                                       
CONECT   25   26   26   24   50                                       
CONECT   26   27   25   25   51                                       
CONECT   27   28   28   26   52                                       
CONECT   28   27   27   29   53                                       
CONECT   29   28   24   24   54                                       
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
