COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.616  -1.120  -2.885  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.780  -3.222  -1.098  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.231  -1.600  -0.139  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.138  -1.026  -1.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.475   0.312  -0.895  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.897  -2.912  -0.263  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.007   0.502   0.991  1.00  0.00           C  
HETATM    8  C   UNL     1       8.148   0.502  -1.166  1.00  0.00           C  
HETATM    9  C   UNL     1       6.862   0.674  -0.354  1.00  0.00           C  
HETATM   10  C   UNL     1       5.948  -0.531  -0.584  1.00  0.00           C  
HETATM   11  C   UNL     1       4.682  -0.362   0.216  1.00  0.00           C  
HETATM   12  C   UNL     1       0.566  -2.336   1.994  1.00  0.00           C  
HETATM   13  C   UNL     1       1.882  -2.517   1.234  1.00  0.00           C  
HETATM   14  C   UNL     1       2.493  -1.143   0.946  1.00  0.00           C  
HETATM   15  C   UNL     1       0.186  -0.188   0.938  1.00  0.00           C  
HETATM   16  C   UNL     1       1.491  -0.305   0.147  1.00  0.00           C  
HETATM   17 BR   UNL     1      -4.371   2.899   0.287  1.00  0.00          Br  
HETATM   18  C   UNL     1      -3.910   1.074   0.112  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.693  -1.776  -2.014  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.664  -0.831   0.864  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.681  -1.450   1.824  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.359  -1.529   1.187  1.00  0.00           N  
HETATM   23  N   UNL     1       3.723  -1.308   0.168  1.00  0.00           N  
HETATM   24  O   UNL     1       4.527   0.625   0.903  1.00  0.00           O  
HETATM   25  S   UNL     1       9.231   1.930  -0.893  1.00  0.00           S  
HETATM   26  H   UNL     1      -5.116  -0.293  -3.389  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.983  -1.829  -3.626  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.455  -0.736  -2.303  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.977  -2.873  -2.112  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.888  -2.728  -0.711  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.622  -4.300  -1.109  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.179   0.761  -1.581  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.567   1.100   1.775  1.00  0.00           H  
HETATM   34  H   UNL     1       8.658  -0.408  -0.850  1.00  0.00           H  
HETATM   35  H   UNL     1       7.901   0.430  -2.225  1.00  0.00           H  
HETATM   36  H   UNL     1       7.109   0.745   0.706  1.00  0.00           H  
HETATM   37  H   UNL     1       6.352   1.583  -0.670  1.00  0.00           H  
HETATM   38  H   UNL     1       5.702  -0.603  -1.644  1.00  0.00           H  
HETATM   39  H   UNL     1       6.459  -1.441  -0.268  1.00  0.00           H  
HETATM   40  H   UNL     1       0.121  -3.312   2.188  1.00  0.00           H  
HETATM   41  H   UNL     1       0.759  -1.830   2.940  1.00  0.00           H  
HETATM   42  H   UNL     1       2.574  -3.103   1.839  1.00  0.00           H  
HETATM   43  H   UNL     1       1.691  -3.035   0.294  1.00  0.00           H  
HETATM   44  H   UNL     1       2.720  -0.641   1.886  1.00  0.00           H  
HETATM   45  H   UNL     1       0.381   0.308   1.888  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.535   0.396   0.365  1.00  0.00           H  
HETATM   47  H   UNL     1       1.903   0.689  -0.025  1.00  0.00           H  
HETATM   48  H   UNL     1       1.294  -0.789  -0.811  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.615  -0.837   2.723  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.016  -2.452   2.091  1.00  0.00           H  
HETATM   51  H   UNL     1       3.848  -2.097  -0.382  1.00  0.00           H  
HETATM   52  H   UNL     1      10.303   1.647  -1.655  1.00  0.00           H  
CONECT    1   19   26   27   28                                       
CONECT    2    6   29   30   31                                       
CONECT    3    4    4    6   20                                       
CONECT    4    3    3    5   19                                       
CONECT    5    4   18   18   32                                       
CONECT    6    2    3                                                 
CONECT    7   18   20   20   33                                       
CONECT    8    9   25   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   23   24   24                                       
CONECT   12   13   22   40   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   16   23   44                                       
CONECT   15   16   22   45   46                                       
CONECT   16   14   15   47   48                                       
CONECT   17   18                                                      
CONECT   18    5    5    7   17                                       
CONECT   19    1    4                                                 
CONECT   20    3    7    7   21                                       
CONECT   21   20   22   49   50                                       
CONECT   22   12   15   21                                            
CONECT   23   11   14   51                                            
CONECT   24   11   11                                                 
CONECT   25    8   52                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
