COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.260  -2.641  -1.471  1.00  0.00           C  
HETATM    2  N   UNL     1       4.884  -2.307  -1.095  1.00  0.00           N  
HETATM    3  C   UNL     1       4.574  -1.052  -0.715  1.00  0.00           C  
HETATM    4  O   UNL     1       5.435  -0.198  -0.685  1.00  0.00           O  
HETATM    5  C   UNL     1       3.159  -0.709  -0.329  1.00  0.00           C  
HETATM    6  C   UNL     1       2.227  -0.977  -1.512  1.00  0.00           C  
HETATM    7  C   UNL     1       0.799  -0.752  -1.089  1.00  0.00           C  
HETATM    8  C   UNL     1       0.061  -1.796  -0.562  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.249  -1.589  -0.173  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.822  -0.339  -0.310  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.251  -0.114   0.115  1.00  0.00           C  
HETATM   12  F   UNL     1      -3.289   0.843   1.135  1.00  0.00           F  
HETATM   13  F   UNL     1      -3.996   0.340  -0.979  1.00  0.00           F  
HETATM   14  P   UNL     1      -3.957  -1.680   0.725  1.00  0.00           P  
HETATM   15  O   UNL     1      -3.190  -2.128   2.068  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.396  -1.491   1.017  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.783  -2.820  -0.398  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.085   0.706  -0.837  1.00  0.00           C  
HETATM   19 BR   UNL     1      -1.868   2.417  -1.024  1.00  0.00          Br  
HETATM   20  C   UNL     1       0.228   0.500  -1.221  1.00  0.00           C  
HETATM   21  N   UNL     1       3.083   0.707   0.041  1.00  0.00           N  
HETATM   22  S   UNL     1       3.207   1.155   1.631  1.00  0.00           S  
HETATM   23  C   UNL     1       4.896   0.691   2.102  1.00  0.00           C  
HETATM   24  O   UNL     1       3.066   2.569   1.608  1.00  0.00           O  
HETATM   25  O   UNL     1       2.259   0.335   2.301  1.00  0.00           O  
HETATM   26  H   UNL     1       6.923  -2.450  -0.628  1.00  0.00           H  
HETATM   27  H   UNL     1       6.316  -3.694  -1.746  1.00  0.00           H  
HETATM   28  H   UNL     1       6.564  -2.027  -2.319  1.00  0.00           H  
HETATM   29  H   UNL     1       4.195  -2.990  -1.119  1.00  0.00           H  
HETATM   30  H   UNL     1       2.855  -1.322   0.519  1.00  0.00           H  
HETATM   31  H   UNL     1       2.475  -0.300  -2.330  1.00  0.00           H  
HETATM   32  H   UNL     1       2.349  -2.008  -1.844  1.00  0.00           H  
HETATM   33  H   UNL     1       0.508  -2.773  -0.455  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.825  -2.405   0.238  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.229  -2.181   1.973  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.137  -3.683  -0.141  1.00  0.00           H  
HETATM   37  H   UNL     1       0.806   1.317  -1.628  1.00  0.00           H  
HETATM   38  H   UNL     1       2.961   1.382  -0.645  1.00  0.00           H  
HETATM   39  H   UNL     1       5.608   1.224   1.472  1.00  0.00           H  
HETATM   40  H   UNL     1       5.067   0.953   3.146  1.00  0.00           H  
HETATM   41  H   UNL     1       5.028  -0.383   1.970  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3   29                                            
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5   21    3    6   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   20   20                                       
CONECT    8    9    9    7   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   18   18   11                                       
CONECT   11   13   10   14   12                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   16   16   11   15                                       
CONECT   14   17                                                      
CONECT   15   14   35                                                 
CONECT   16   14   14                                                 
CONECT   17   14   36                                                 
CONECT   18   20   10   10   19                                       
CONECT   19   18                                                      
CONECT   20    7    7   18   37                                       
CONECT   21   22    5   38                                            
CONECT   22   23   25   25   21                                       
CONECT   22   24   24                                                 
CONECT   23   22   39   40   41                                       
CONECT   24   22   22                                                 
CONECT   25   22   22                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
