COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.212  -2.888  -0.253  1.00  0.00           O  
HETATM    2  O   UNL     1       0.113  -1.805  -2.701  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.121  -2.727   1.757  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.279  -3.411   1.025  1.00  0.00           C  
HETATM    5  O   UNL     1       0.673  -3.712   2.421  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.711  -4.337  -0.055  1.00  0.00           C  
HETATM    7  C   UNL     1       0.174  -3.522  -1.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.673  -2.458  -1.702  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.374  -1.159   0.889  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.429  -1.459  -0.980  1.00  0.00           N  
HETATM   11  F   UNL     1      -3.644   3.713   2.274  1.00  0.00           F  
HETATM   12  C   UNL     1      -3.958   2.917   1.228  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.798   3.385   0.229  1.00  0.00           C  
HETATM   14  F   UNL     1      -5.303   4.636   0.304  1.00  0.00           F  
HETATM   15  C   UNL     1      -5.122   2.572  -0.847  1.00  0.00           C  
HETATM   16  F   UNL     1      -5.941   3.032  -1.818  1.00  0.00           F  
HETATM   17  C   UNL     1      -4.608   1.291  -0.927  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.436   1.639   1.151  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.763   0.818   0.075  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.209  -0.557  -0.008  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.132  -2.397   0.400  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.776  -2.533  -0.705  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.784  -4.926  -0.793  1.00  0.00           O  
HETATM   24  C   UNL     1       0.741  -1.974   0.740  1.00  0.00           C  
HETATM   25  S   UNL     1       2.156  -1.219   1.588  1.00  0.00           S  
HETATM   26  C   UNL     1       2.849  -0.174   0.350  1.00  0.00           C  
HETATM   27  C   UNL     1       2.272  -0.098  -0.913  1.00  0.00           C  
HETATM   28  C   UNL     1       3.979   0.594   0.623  1.00  0.00           C  
HETATM   29  C   UNL     1       4.486   1.400  -0.383  1.00  0.00           C  
HETATM   30 BR   UNL     1       6.018   2.466  -0.074  1.00  0.00          Br  
HETATM   31  C   UNL     1       3.859   1.417  -1.616  1.00  0.00           C  
HETATM   32  N   UNL     1       2.787   0.682  -1.841  1.00  0.00           N  
HETATM   33  H   UNL     1      -0.361  -1.116  -3.186  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.517  -2.024   2.490  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.866  -3.994   1.735  1.00  0.00           H  
HETATM   36  H   UNL     1       1.428  -3.349   2.904  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.118  -5.122   0.414  1.00  0.00           H  
HETATM   38  H   UNL     1       0.615  -4.184  -1.747  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.013  -1.725  -0.970  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.536  -2.931  -2.171  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.983  -0.732   1.800  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.864   0.657  -1.762  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.778   1.277   1.927  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.496  -5.526  -1.494  1.00  0.00           H  
HETATM   45  H   UNL     1       0.145  -1.196   0.264  1.00  0.00           H  
HETATM   46  H   UNL     1       1.394  -0.686  -1.135  1.00  0.00           H  
HETATM   47  H   UNL     1       4.447   0.561   1.596  1.00  0.00           H  
HETATM   48  H   UNL     1       4.250   2.043  -2.404  1.00  0.00           H  
CONECT    1   24    7                                                 
CONECT    2    8   33                                                 
CONECT    3    5    4   24   34                                       
CONECT    4   21    3    6   35                                       
CONECT    5    3   36                                                 
CONECT    6    4    7   23   37                                       
CONECT    7    6    1    8   38                                       
CONECT    8    7    2   39   40                                       
CONECT    9   21   20   20   41                                       
CONECT   10   22   22   20                                            
CONECT   11   12                                                      
CONECT   12   18   18   13   11                                       
CONECT   13   15   15   12   14                                       
CONECT   14   13                                                      
CONECT   15   17   16   13   13                                       
CONECT   16   15                                                      
CONECT   17   19   19   15   42                                       
CONECT   18   19   12   12   43                                       
CONECT   19   20   17   17   18                                       
CONECT   20   10    9    9   19                                       
CONECT   21   22    4    9                                            
CONECT   22   10   10   21                                            
CONECT   23    6   44                                                 
CONECT   24   25    3    1   45                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   28   28                                       
CONECT   27   32   32   26   46                                       
CONECT   28   26   26   29   47                                       
CONECT   29   31   31   28   30                                       
CONECT   30   29                                                      
CONECT   31   32   29   29   48                                       
CONECT   32   27   27   31                                            
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
