COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.053   0.979   5.467  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.666   2.193   5.375  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.009   2.347   5.712  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.751   1.290   6.145  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.154   0.024   6.253  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.868  -1.101   6.693  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.266  -2.265   6.778  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.990  -2.438   6.462  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.211  -1.410   6.026  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.787  -0.132   5.903  1.00  0.00           C  
HETATM   11  S   UNL     1       1.646   0.807   5.035  1.00  0.00           S  
HETATM   12  O   UNL     1       2.248   0.099   6.110  1.00  0.00           O  
HETATM   13  O   UNL     1       2.054   2.083   4.560  1.00  0.00           O  
HETATM   14  N   UNL     1       1.724  -0.205   3.728  1.00  0.00           N  
HETATM   15  C   UNL     1       1.135   0.200   2.449  1.00  0.00           C  
HETATM   16  C   UNL     1       1.452  -0.851   1.385  1.00  0.00           C  
HETATM   17  N   UNL     1       0.861  -0.443   0.103  1.00  0.00           N  
HETATM   18  C   UNL     1       1.200  -1.491  -0.869  1.00  0.00           C  
HETATM   19  C   UNL     1       0.622  -1.134  -2.214  1.00  0.00           C  
HETATM   20  C   UNL     1       1.422  -0.974  -3.259  1.00  0.00           C  
HETATM   21  C   UNL     1       0.855  -0.623  -4.578  1.00  0.00           C  
HETATM   22  C   UNL     1       1.695  -0.454  -5.679  1.00  0.00           C  
HETATM   23  C   UNL     1       1.160  -0.127  -6.907  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.207   0.034  -7.049  1.00  0.00           C  
HETATM   25 BR   UNL     1      -0.932   0.483  -8.736  1.00  0.00          Br  
HETATM   26  C   UNL     1      -1.045  -0.126  -5.959  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.522  -0.459  -4.727  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.101   3.049   5.035  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.469   3.320   5.630  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.790   1.424   6.404  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.910  -1.010   6.962  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.556  -3.422   6.555  1.00  0.00           H  
HETATM   33  H   UNL     1       0.825  -1.573   5.774  1.00  0.00           H  
HETATM   34  H   UNL     1       2.159  -1.068   3.809  1.00  0.00           H  
HETATM   35  H   UNL     1       1.553   1.161   2.146  1.00  0.00           H  
HETATM   36  H   UNL     1       0.055   0.293   2.559  1.00  0.00           H  
HETATM   37  H   UNL     1       1.034  -1.811   1.688  1.00  0.00           H  
HETATM   38  H   UNL     1       2.532  -0.943   1.274  1.00  0.00           H  
HETATM   39  H   UNL     1       1.349   0.390  -0.188  1.00  0.00           H  
HETATM   40  H   UNL     1       0.786  -2.443  -0.537  1.00  0.00           H  
HETATM   41  H   UNL     1       2.284  -1.575  -0.950  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.444  -1.007  -2.327  1.00  0.00           H  
HETATM   43  H   UNL     1       2.489  -1.100  -3.146  1.00  0.00           H  
HETATM   44  H   UNL     1       2.762  -0.580  -5.570  1.00  0.00           H  
HETATM   45  H   UNL     1       1.809   0.003  -7.761  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.111   0.000  -6.075  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.177  -0.589  -3.878  1.00  0.00           H  
CONECT    1    2    2   10   11                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    1    5    5    9                                       
CONECT   11    1   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   34                                            
CONECT   15   14   16   35   36                                       
CONECT   16   15   17   37   38                                       
CONECT   17   16   18   39                                            
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   20   42                                       
CONECT   20   19   19   21   43                                       
CONECT   21   20   22   22   27                                       
CONECT   22   21   21   23   44                                       
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24                                                      
CONECT   26   24   27   27   46                                       
CONECT   27   21   26   26   47                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
