COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.390   0.916  -0.327  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.486   2.244  -0.600  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.541  -1.982   0.253  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.142   0.330  -0.179  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.045  -1.019   0.104  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.542   0.153  -0.190  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.801  -1.488  -0.207  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.188  -1.780   0.243  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.362   1.986   0.146  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.307   2.716   0.330  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.901   2.185   0.312  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.882   0.813  -0.362  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.930  -2.362   0.343  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.834  -1.506  -1.737  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.503   4.189   0.577  1.00  0.00           C  
HETATM   16  C   UNL     1       0.310  -1.660   0.262  1.00  0.00           C  
HETATM   17  C   UNL     1       1.399  -0.604   0.061  1.00  0.00           C  
HETATM   18  C   UNL     1       0.431  -2.257   1.666  1.00  0.00           C  
HETATM   19  C   UNL     1       0.475  -2.768  -0.779  1.00  0.00           C  
HETATM   20  C   UNL     1       2.775  -1.254   0.222  1.00  0.00           C  
HETATM   21  C   UNL     1       3.865  -0.199   0.020  1.00  0.00           C  
HETATM   22  C   UNL     1       5.240  -0.849   0.181  1.00  0.00           C  
HETATM   23  C   UNL     1       6.330   0.206  -0.020  1.00  0.00           C  
HETATM   24  C   UNL     1       7.705  -0.444   0.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.444  -1.199   0.094  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.966  -0.053   0.296  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.329   0.506  -0.115  1.00  0.00           C  
HETATM   28 BR   UNL     1       9.105   0.912  -0.119  1.00  0.00          Br  
HETATM   29  H   UNL     1      -2.528   2.805   0.186  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.248   0.926  -0.287  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.107  -2.834   0.464  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.325   2.473   0.182  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.261   2.871  -0.243  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.534   2.093   1.334  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.099   0.926  -1.424  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.909  -2.338   1.433  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.889  -1.982  -0.010  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.797  -3.387  -0.001  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.695  -2.528  -2.091  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.795  -1.129  -2.084  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.034  -0.875  -2.125  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.568   4.422   0.561  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.088   4.453   1.550  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.994   4.759  -0.201  1.00  0.00           H  
HETATM   45  H   UNL     1       1.313  -0.179  -0.939  1.00  0.00           H  
HETATM   46  H   UNL     1       1.282   0.185   0.803  1.00  0.00           H  
HETATM   47  H   UNL     1       1.411  -2.720   1.780  1.00  0.00           H  
HETATM   48  H   UNL     1       0.314  -1.467   2.408  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.345  -3.008   1.809  1.00  0.00           H  
HETATM   50  H   UNL     1       0.389  -2.343  -1.779  1.00  0.00           H  
HETATM   51  H   UNL     1       1.455  -3.231  -0.665  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.301  -3.520  -0.636  1.00  0.00           H  
HETATM   53  H   UNL     1       2.862  -1.680   1.222  1.00  0.00           H  
HETATM   54  H   UNL     1       2.893  -2.044  -0.521  1.00  0.00           H  
HETATM   55  H   UNL     1       3.778   0.226  -0.979  1.00  0.00           H  
HETATM   56  H   UNL     1       3.747   0.591   0.762  1.00  0.00           H  
HETATM   57  H   UNL     1       5.327  -1.275   1.181  1.00  0.00           H  
HETATM   58  H   UNL     1       5.358  -1.639  -0.561  1.00  0.00           H  
HETATM   59  H   UNL     1       6.243   0.632  -1.020  1.00  0.00           H  
HETATM   60  H   UNL     1       6.212   0.996   0.722  1.00  0.00           H  
HETATM   61  H   UNL     1       7.792  -0.869   1.140  1.00  0.00           H  
HETATM   62  H   UNL     1       7.823  -1.234  -0.602  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.851  -0.027   1.379  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.112   0.018   0.466  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.494   0.320  -1.176  1.00  0.00           H  
CONECT    1    4    4    2    6                                       
CONECT    2    1   29                                                 
CONECT    3   25    7                                                 
CONECT    4    5    1    1   30                                       
CONECT    5   16    4    8    8                                       
CONECT    6    1   25   25   12                                       
CONECT    7    3   26   14   13                                       
CONECT    8    5    5   25   31                                       
CONECT    9   10   10   27   32                                       
CONECT   10   11   15    9    9                                       
CONECT   11   10   12   33   34                                       
CONECT   12    6   11   26   35                                       
CONECT   13    7   36   37   38                                       
CONECT   14    7   39   40   41                                       
CONECT   15   10   42   43   44                                       
CONECT   16   18   17   19    5                                       
CONECT   17   20   16   45   46                                       
CONECT   18   16   47   48   49                                       
CONECT   19   16   50   51   52                                       
CONECT   20   21   17   53   54                                       
CONECT   21   22   20   55   56                                       
CONECT   22   23   21   57   58                                       
CONECT   23   24   22   59   60                                       
CONECT   24   23   28   61   62                                       
CONECT   25    8    6    6    3                                       
CONECT   26   12    7   27   63                                       
CONECT   27   26    9   64   65                                       
CONECT   28   24                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
