COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.637   2.604   1.239  1.00  0.00           C  
HETATM    2  O   UNL     1       1.946   2.074   1.456  1.00  0.00           O  
HETATM    3  C   UNL     1       2.788   2.057   0.393  1.00  0.00           C  
HETATM    4  C   UNL     1       3.616   3.143   0.140  1.00  0.00           C  
HETATM    5  C   UNL     1       4.473   3.123  -0.944  1.00  0.00           C  
HETATM    6  C   UNL     1       4.512   2.024  -1.785  1.00  0.00           C  
HETATM    7  C   UNL     1       3.698   0.938  -1.549  1.00  0.00           C  
HETATM    8  C   UNL     1       2.831   0.941  -0.454  1.00  0.00           C  
HETATM    9  C   UNL     1       1.957  -0.219  -0.196  1.00  0.00           C  
HETATM   10  O   UNL     1       0.821  -0.048   0.202  1.00  0.00           O  
HETATM   11  N   UNL     1       2.417  -1.469  -0.402  1.00  0.00           N  
HETATM   12  C   UNL     1       3.823  -1.699  -0.761  1.00  0.00           C  
HETATM   13  C   UNL     1       4.425  -2.708   0.222  1.00  0.00           C  
HETATM   14  C   UNL     1       4.459  -2.097   1.624  1.00  0.00           C  
HETATM   15  C   UNL     1       3.565  -3.974   0.237  1.00  0.00           C  
HETATM   16  C   UNL     1       2.150  -3.626   0.707  1.00  0.00           C  
HETATM   17  C   UNL     1       1.525  -2.628  -0.265  1.00  0.00           C  
HETATM   18  C   UNL     1       0.167  -2.171   0.272  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.528  -1.392  -0.756  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.830  -0.955  -0.536  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.464  -1.257   0.665  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.759  -0.817   0.871  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.379  -0.086  -0.135  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.689   0.177  -1.302  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.452  -0.252  -1.469  1.00  0.00           N  
HETATM   26 BR   UNL     1      -6.148   0.541   0.091  1.00  0.00          Br  
HETATM   27  F   UNL     1       3.583   4.220   0.956  1.00  0.00           F  
HETATM   28  H   UNL     1       0.068   2.559   2.168  1.00  0.00           H  
HETATM   29  H   UNL     1       0.715   3.641   0.911  1.00  0.00           H  
HETATM   30  H   UNL     1       0.130   2.017   0.473  1.00  0.00           H  
HETATM   31  H   UNL     1       5.114   3.970  -1.137  1.00  0.00           H  
HETATM   32  H   UNL     1       5.185   2.017  -2.630  1.00  0.00           H  
HETATM   33  H   UNL     1       3.732   0.083  -2.209  1.00  0.00           H  
HETATM   34  H   UNL     1       3.881  -2.097  -1.774  1.00  0.00           H  
HETATM   35  H   UNL     1       4.373  -0.759  -0.705  1.00  0.00           H  
HETATM   36  H   UNL     1       5.438  -2.961  -0.090  1.00  0.00           H  
HETATM   37  H   UNL     1       3.446  -1.846   1.936  1.00  0.00           H  
HETATM   38  H   UNL     1       4.887  -2.815   2.323  1.00  0.00           H  
HETATM   39  H   UNL     1       5.070  -1.194   1.612  1.00  0.00           H  
HETATM   40  H   UNL     1       3.521  -4.393  -0.768  1.00  0.00           H  
HETATM   41  H   UNL     1       4.003  -4.705   0.916  1.00  0.00           H  
HETATM   42  H   UNL     1       1.545  -4.532   0.740  1.00  0.00           H  
HETATM   43  H   UNL     1       2.196  -3.182   1.701  1.00  0.00           H  
HETATM   44  H   UNL     1       1.394  -3.099  -1.240  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.432  -3.043   0.534  1.00  0.00           H  
HETATM   46  H   UNL     1       0.316  -1.553   1.158  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.080  -1.181  -1.590  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.953  -1.828   1.426  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.277  -1.036   1.793  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.167   0.744  -2.087  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    3    1                                                 
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   27                                       
CONECT    5    6    6    4   31                                       
CONECT    6    7    5    5   32                                       
CONECT    7    8    8    6   33                                       
CONECT    8    9    7    7    3                                       
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11   17   12    9                                            
CONECT   12   13   11   34   35                                       
CONECT   13   15   14   12   36                                       
CONECT   14   13   37   38   39                                       
CONECT   15   16   13   40   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   18   16   11   44                                       
CONECT   18   19   17   45   46                                       
CONECT   19   18   20   47                                            
CONECT   20   19   25   25   21                                       
CONECT   21   20   22   22   48                                       
CONECT   22   21   21   23   49                                       
CONECT   23   24   24   22   26                                       
CONECT   24   25   23   23   50                                       
CONECT   25   20   20   24                                            
CONECT   26   23                                                      
CONECT   27    4                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
