COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -5.318   0.685  -0.301  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.319  -0.258  -0.168  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.989  -1.551   0.215  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.655  -1.850   0.453  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.699  -0.846   0.298  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.671   2.090  -0.716  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.424  -0.166   0.386  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.326  -4.073   0.966  1.00  0.00           C  
HETATM    9  C   UNL     1       0.846   0.524   0.359  1.00  0.00           C  
HETATM   10  C   UNL     1       2.188   0.195   0.494  1.00  0.00           C  
HETATM   11  C   UNL     1       3.150   1.162   0.239  1.00  0.00           C  
HETATM   12  C   UNL     1       2.718   2.446  -0.149  1.00  0.00           C  
HETATM   13  C   UNL     1       1.349   2.692  -0.261  1.00  0.00           C  
HETATM   14  C   UNL     1       4.821  -0.481   0.627  1.00  0.00           C  
HETATM   15  C   UNL     1       6.128  -0.805  -0.049  1.00  0.00           C  
HETATM   16  C   UNL     1       4.964  -0.683   2.137  1.00  0.00           C  
HETATM   17  C   UNL     1       6.287  -1.987  -0.757  1.00  0.00           C  
HETATM   18  C   UNL     1       7.502  -2.250  -1.365  1.00  0.00           C  
HETATM   19  C   UNL     1       8.383  -0.258  -0.616  1.00  0.00           C  
HETATM   20  C   UNL     1       7.199   0.074   0.017  1.00  0.00           C  
HETATM   21  C   UNL     1       3.669   3.481  -0.424  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.057   0.374  -0.064  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.352  -1.131   0.533  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.124  -0.441   0.613  1.00  0.00           N  
HETATM   25  N   UNL     1       0.473   1.744  -0.003  1.00  0.00           N  
HETATM   26  N   UNL     1       8.500  -1.393  -1.276  1.00  0.00           N  
HETATM   27  N   UNL     1       4.423   4.302  -0.642  1.00  0.00           N  
HETATM   28  O   UNL     1      -5.935   2.878   0.447  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.286  -3.103   0.830  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.758   0.953   0.049  1.00  0.00           O  
HETATM   31  O   UNL     1       4.471   0.879   0.360  1.00  0.00           O  
HETATM   32 BR   UNL     1      -8.120   0.209  -0.504  1.00  0.00          Br  
HETATM   33 CL   UNL     1       7.056   1.572   0.884  1.00  0.00          Cl  
HETATM   34 CL   UNL     1       4.979  -3.122  -0.879  1.00  0.00          Cl  
HETATM   35  H   UNL     1      -6.753  -2.306   0.326  1.00  0.00           H  
HETATM   36  H1  UNL     1      -4.838   2.525  -1.269  1.00  0.00           H  
HETATM   37  H2  UNL     1      -6.557   2.069  -1.350  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.837  -4.194   0.011  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.896  -5.027   1.271  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.039  -3.739   1.720  1.00  0.00           H  
HETATM   41  H   UNL     1       2.480  -0.800   0.794  1.00  0.00           H  
HETATM   42  H   UNL     1       1.005   3.672  -0.557  1.00  0.00           H  
HETATM   43  H   UNL     1       4.041  -1.138   0.245  1.00  0.00           H  
HETATM   44  H   UNL     1       4.018  -0.448   2.626  1.00  0.00           H  
HETATM   45  H   UNL     1       5.231  -1.720   2.341  1.00  0.00           H  
HETATM   46  H   UNL     1       5.744  -0.025   2.520  1.00  0.00           H  
HETATM   47  H   UNL     1       7.634  -3.168  -1.918  1.00  0.00           H  
HETATM   48  H   UNL     1       9.222   0.421  -0.570  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.085  -2.024   0.803  1.00  0.00           H  
HETATM   50  H   UNL     1       0.135  -1.311   0.953  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.169   3.796   0.254  1.00  0.00           H  
CONECT    1   22    6    2    2                                       
CONECT    2    1    1    3   32                                       
CONECT    3    4    4    2   35                                       
CONECT    4    5   29    3    3                                       
CONECT    5   23   22   22    4                                       
CONECT    6   28    1   36   37                                       
CONECT    7   30   30   24   23                                       
CONECT    8   29   38   39   40                                       
CONECT    9   10   10   25   24                                       
CONECT   10   11    9    9   41                                       
CONECT   11   31   12   12   10                                       
CONECT   12   21   11   11   13                                       
CONECT   13   12   25   25   42                                       
CONECT   14   16   15   31   43                                       
CONECT   15   20   14   17   17                                       
CONECT   16   14   44   45   46                                       
CONECT   17   15   15   18   34                                       
CONECT   18   26   26   17   47                                       
CONECT   19   20   20   26   48                                       
CONECT   20   33   19   19   15                                       
CONECT   21   27   27   27   12                                       
CONECT   22    5    5    1                                            
CONECT   23    7    5   49                                            
CONECT   24    9    7   50                                            
CONECT   25   13   13    9                                            
CONECT   26   19   18   18                                            
CONECT   27   21   21   21                                            
CONECT   28    6   51                                                 
CONECT   29    4    8                                                 
CONECT   30    7    7                                                 
CONECT   31   14   11                                                 
CONECT   32    2                                                      
CONECT   33   20                                                      
CONECT   34   17                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
