COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.247  -1.614   0.490  1.00  0.00           C  
HETATM    2  C   UNL     1       4.235  -0.510   0.167  1.00  0.00           C  
HETATM    3  C   UNL     1       2.677  -2.251  -0.798  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.444   0.575  -0.386  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.067   1.558  -1.145  1.00  0.00           C  
HETATM    6  C   UNL     1       3.583  -4.483  -1.470  1.00  0.00           C  
HETATM    7  C   UNL     1       3.706  -3.336  -0.465  1.00  0.00           C  
HETATM    8  C   UNL     1       5.113  -2.739  -0.539  1.00  0.00           C  
HETATM    9  N   UNL     1       2.894  -1.104   0.094  1.00  0.00           N  
HETATM   10  S   UNL     1       1.650  -0.493   1.000  1.00  0.00           S  
HETATM   11  O   UNL     1       0.706  -1.545   1.148  1.00  0.00           O  
HETATM   12  O   UNL     1       2.247   0.177   2.102  1.00  0.00           O  
HETATM   13  C   UNL     1       0.861   0.750   0.031  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.389   1.383  -1.569  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.263   0.713  -0.792  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.931   0.345   0.315  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.652   0.421  -1.298  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.401  -0.312  -0.275  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.147   0.274   0.682  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.318   1.462   0.853  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.728  -0.861   1.501  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.192  -2.069   0.849  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.434  -1.646  -0.179  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.839  -2.392  -0.931  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.375   2.714  -1.481  1.00  0.00           C  
HETATM   26  C   UNL     1       0.930   2.884  -1.061  1.00  0.00           C  
HETATM   27  C   UNL     1       1.549   1.901  -0.311  1.00  0.00           C  
HETATM   28 BR   UNL     1       3.336   2.137   0.263  1.00  0.00          Br  
HETATM   29  H   UNL     1       6.256  -1.205   0.452  1.00  0.00           H  
HETATM   30  H   UNL     1       5.051  -2.008   1.487  1.00  0.00           H  
HETATM   31  H   UNL     1       4.258   0.247   0.952  1.00  0.00           H  
HETATM   32  H   UNL     1       4.485  -0.053  -0.791  1.00  0.00           H  
HETATM   33  H   UNL     1       2.800  -1.937  -1.834  1.00  0.00           H  
HETATM   34  H   UNL     1       1.671  -2.645  -0.652  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.981  -0.323  -0.119  1.00  0.00           H  
HETATM   36  H   UNL     1       3.767  -4.104  -2.476  1.00  0.00           H  
HETATM   37  H   UNL     1       4.316  -5.254  -1.233  1.00  0.00           H  
HETATM   38  H   UNL     1       2.580  -4.905  -1.419  1.00  0.00           H  
HETATM   39  H   UNL     1       3.523  -3.714   0.541  1.00  0.00           H  
HETATM   40  H   UNL     1       5.285  -2.340  -1.539  1.00  0.00           H  
HETATM   41  H   UNL     1       5.848  -3.515  -0.326  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.677   1.744  -2.422  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.162   1.359  -1.520  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.589  -0.181  -2.204  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.389  -0.801   2.535  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.857   3.479  -2.071  1.00  0.00           H  
HETATM   47  H   UNL     1       1.468   3.783  -1.323  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.817  -0.849   1.455  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.356  -2.989   1.108  1.00  0.00           H  
CONECT    1    2    8   29   30                                       
CONECT    2    1    9   31   32                                       
CONECT    3    9    7   33   34                                       
CONECT    4    5   13   13   35                                       
CONECT    5   14   25   25    4                                       
CONECT    6    7   36   37   38                                       
CONECT    7    8    3    6   39                                       
CONECT    8    1    7   40   41                                       
CONECT    9    2   10    3                                            
CONECT   10   13   11   11    9                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13    4    4   27   10                                       
CONECT   14   15    5   42                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   43   44                                       
CONECT   18   23   17   19                                            
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   45   48                                       
CONECT   22   23   21   49                                            
CONECT   23   24   24   22   18                                       
CONECT   24   23   23                                                 
CONECT   25    5    5   26   46                                       
CONECT   26   25   27   27   47                                       
CONECT   27   26   26   13   28                                       
CONECT   28   27                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
