COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.255  -3.182  -0.162  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.780  -3.117  -0.049  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.161  -1.673  -0.502  1.00  0.00           C  
HETATM    4  C   UNL     1       4.375  -0.745   1.133  1.00  0.00           C  
HETATM    5  C   UNL     1       5.811  -0.590   1.638  1.00  0.00           C  
HETATM    6  C   UNL     1       6.628   0.203   0.615  1.00  0.00           C  
HETATM    7  C   UNL     1       8.064   0.358   1.120  1.00  0.00           C  
HETATM    8  C   UNL     1       8.880   1.151   0.097  1.00  0.00           C  
HETATM    9  C   UNL     1      10.316   1.307   0.602  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.864   1.988   0.009  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.040   3.209   0.645  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.295   4.305   0.252  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.375   4.185  -0.774  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.199   2.969  -1.410  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.937   1.869  -1.016  1.00  0.00           C  
HETATM   16  C   UNL     1      11.121   2.088  -0.405  1.00  0.00           C  
HETATM   17  O   UNL     1      12.417   2.348  -0.172  1.00  0.00           O  
HETATM   18  O   UNL     1      10.599   2.480  -1.422  1.00  0.00           O  
HETATM   19 BR   UNL     1      -2.358   5.687  -1.310  1.00  0.00          Br  
HETATM   20  S   UNL     1      -4.948   0.085   1.498  1.00  0.00           S  
HETATM   21  O   UNL     1      -5.970  -0.812   1.911  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.417   1.053   2.393  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.609  -0.814   0.667  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.773  -2.431   0.860  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.999  -1.900   1.607  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.941  -3.007   1.406  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.470  -3.916  -1.170  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.358  -2.179   1.184  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.654  -4.983  -0.784  1.00  0.00           C  
HETATM   30  C   UNL     1       0.077  -5.667  -1.731  1.00  0.00           C  
HETATM   31  C   UNL     1       0.004  -5.297  -3.068  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.805  -4.237  -3.457  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.545  -3.552  -2.518  1.00  0.00           C  
HETATM   34  C   UNL     1       0.184  -2.661   2.379  1.00  0.00           C  
HETATM   35  C   UNL     1       1.509  -2.428   2.676  1.00  0.00           C  
HETATM   36  C   UNL     1       2.306  -1.714   1.791  1.00  0.00           C  
HETATM   37  C   UNL     1       1.772  -1.233   0.602  1.00  0.00           C  
HETATM   38  C   UNL     1       0.448  -1.462   0.296  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.595   0.909   0.394  1.00  0.00           O  
HETATM   40  O   UNL     1       0.728  -5.974  -3.997  1.00  0.00           O  
HETATM   41  O   UNL     1       3.612  -1.486   2.088  1.00  0.00           O  
HETATM   42  H   UNL     1      -4.325  -3.924  -0.540  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.668  -1.417  -1.440  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.242  -1.564  -0.590  1.00  0.00           H  
HETATM   45  H   UNL     1       3.929   0.240   0.997  1.00  0.00           H  
HETATM   46  H   UNL     1       4.379  -1.276   0.181  1.00  0.00           H  
HETATM   47  H   UNL     1       5.806  -0.059   2.589  1.00  0.00           H  
HETATM   48  H   UNL     1       6.257  -1.575   1.773  1.00  0.00           H  
HETATM   49  H   UNL     1       6.632  -0.328  -0.337  1.00  0.00           H  
HETATM   50  H   UNL     1       6.181   1.188   0.479  1.00  0.00           H  
HETATM   51  H   UNL     1       8.059   0.889   2.072  1.00  0.00           H  
HETATM   52  H   UNL     1       8.509  -0.627   1.255  1.00  0.00           H  
HETATM   53  H   UNL     1       8.885   0.620  -0.854  1.00  0.00           H  
HETATM   54  H   UNL     1       8.434   2.137  -0.038  1.00  0.00           H  
HETATM   55  H   UNL     1      10.312   1.838   1.554  1.00  0.00           H  
HETATM   56  H   UNL     1      10.762   0.321   0.738  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.758   3.303   1.445  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.432   5.255   0.746  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.480   2.878  -2.211  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.795   0.919  -1.509  1.00  0.00           H  
HETATM   61  H   UNL     1      12.892   2.852  -0.847  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.840  -0.126   0.315  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.826  -1.589   2.637  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.597  -5.271   0.256  1.00  0.00           H  
HETATM   65  H   UNL     1       0.708  -6.491  -1.433  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.861  -3.956  -4.498  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.174  -2.728  -2.821  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.435  -3.216   3.069  1.00  0.00           H  
HETATM   69  H   UNL     1       1.928  -2.800   3.599  1.00  0.00           H  
HETATM   70  H   UNL     1       2.396  -0.678  -0.083  1.00  0.00           H  
HETATM   71  H   UNL     1       0.035  -1.091  -0.630  1.00  0.00           H  
HETATM   72  H   UNL     1       0.263  -6.728  -4.385  1.00  0.00           H  
CONECT    1   27   24   24    2                                       
CONECT    2    1   26    3   42                                       
CONECT    3    2   23   43   44                                       
CONECT    4    5   41   45   46                                       
CONECT    5    6    4   47   48                                       
CONECT    6    7    5   49   50                                       
CONECT    7    6    8   51   52                                       
CONECT    8    9    7   53   54                                       
CONECT    9   16    8   55   56                                       
CONECT   10   11   39   15   15                                       
CONECT   11   12   12   10   57                                       
CONECT   12   11   11   13   58                                       
CONECT   13   12   19   14   14                                       
CONECT   14   13   13   15   59                                       
CONECT   15   10   10   14   60                                       
CONECT   16   18   18    9   17                                       
CONECT   17   16   61                                                 
CONECT   18   16   16                                                 
CONECT   19   13                                                      
CONECT   20   23   39   21   21                                       
CONECT   20   22   22                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   25    3   20   62                                       
CONECT   24   28    1    1   25                                       
CONECT   25   24   26   23   63                                       
CONECT   26   25    2                                                 
CONECT   27   33    1   29   29                                       
CONECT   28   34   34   38   24                                       
CONECT   29   27   27   30   64                                       
CONECT   30   31   31   29   65                                       
CONECT   31   32   40   30   30                                       
CONECT   32   33   33   31   66                                       
CONECT   33   32   32   27   67                                       
CONECT   34   35   28   28   68                                       
CONECT   35   36   36   34   69                                       
CONECT   36   41   35   35   37                                       
CONECT   37   36   38   38   70                                       
CONECT   38   37   37   28   71                                       
CONECT   39   10   20                                                 
CONECT   40   31   72                                                 
CONECT   41    4   36                                                 
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
