COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.986   4.444   0.101  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.616   3.075   0.115  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.989   2.946   0.202  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.568   1.691   0.215  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.775   0.559   0.140  1.00  0.00           C  
HETATM    6 CL   UNL     1      -7.507  -1.015   0.156  1.00  0.00          Cl  
HETATM    7  C   UNL     1      -5.401   0.681   0.053  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.818   1.941   0.035  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.430   2.068  -0.059  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.928   1.459  -1.298  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.418   1.689  -1.401  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.755   1.107  -0.226  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.258   1.715   1.014  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.767   1.486   1.117  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.910  -0.277  -0.200  1.00  0.00           C  
HETATM   16  C   UNL     1       0.214  -1.106  -0.260  1.00  0.00           C  
HETATM   17  N   UNL     1       1.495  -0.545  -0.351  1.00  0.00           N  
HETATM   18  C   UNL     1       2.565  -1.232   0.096  1.00  0.00           C  
HETATM   19  O   UNL     1       2.428  -2.366   0.511  1.00  0.00           O  
HETATM   20  C   UNL     1       3.903  -0.606   0.082  1.00  0.00           C  
HETATM   21  C   UNL     1       4.062   0.699  -0.389  1.00  0.00           C  
HETATM   22  C   UNL     1       5.314   1.277  -0.400  1.00  0.00           C  
HETATM   23  C   UNL     1       6.412   0.566   0.054  1.00  0.00           C  
HETATM   24 BR   UNL     1       8.125   1.367   0.036  1.00  0.00          Br  
HETATM   25  C   UNL     1       6.261  -0.728   0.522  1.00  0.00           C  
HETATM   26  C   UNL     1       5.014  -1.315   0.544  1.00  0.00           C  
HETATM   27  C   UNL     1       0.061  -2.479  -0.229  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.219  -3.034  -0.138  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.339  -2.199  -0.078  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.181  -0.832  -0.109  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.387  -4.498  -0.105  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.621  -5.033  -0.017  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.413  -5.223  -0.157  1.00  0.00           O  
HETATM   34  H   UNL     1      -4.906   4.796  -0.927  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.605   5.134   0.675  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.993   4.391   0.546  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.610   3.828   0.261  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.642   1.594   0.283  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.783  -0.203  -0.005  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.133   0.389  -1.287  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.424   1.915  -2.155  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.038   1.213  -2.305  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.214   2.759  -1.441  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.761   1.259   1.870  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.052   2.786   1.002  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.147   1.962   2.021  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.970   0.416   1.156  1.00  0.00           H  
HETATM   48  H   UNL     1       1.612   0.338  -0.736  1.00  0.00           H  
HETATM   49  H   UNL     1       3.207   1.254  -0.744  1.00  0.00           H  
HETATM   50  H   UNL     1       5.438   2.286  -0.764  1.00  0.00           H  
HETATM   51  H   UNL     1       7.122  -1.278   0.875  1.00  0.00           H  
HETATM   52  H   UNL     1       4.896  -2.323   0.914  1.00  0.00           H  
HETATM   53  H   UNL     1       0.928  -3.121  -0.275  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.328  -2.627  -0.008  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.047  -0.189  -0.059  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.681  -5.998   0.002  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    8    8    3                                       
CONECT    3    2    4    4   37                                       
CONECT    4    3    3    5   38                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5                                                      
CONECT    7    8    5    5   39                                       
CONECT    8    9    2    2    7                                       
CONECT    9   14    8   10                                            
CONECT   10    9   11   40   41                                       
CONECT   11   12   10   42   43                                       
CONECT   12   13   15   11                                            
CONECT   13   14   12   44   45                                       
CONECT   14   13    9   46   47                                       
CONECT   15   16   16   30   12                                       
CONECT   16   27   17   15   15                                       
CONECT   17   18   16   48                                            
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   26   26                                       
CONECT   21   22   22   20   49                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23                                                      
CONECT   25   23   23   26   51                                       
CONECT   26   20   20   25   52                                       
CONECT   27   28   28   16   53                                       
CONECT   28   31   27   27   29                                       
CONECT   29   28   30   30   54                                       
CONECT   30   29   29   15   55                                       
CONECT   31   33   33   32   28                                       
CONECT   32   31   56                                                 
CONECT   33   31   31                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
