COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.789  -0.437  -1.619  1.00  0.00           C  
HETATM    2  C   UNL     1       0.499  -1.692  -2.176  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.040  -0.778  -3.701  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.799   0.511  -3.200  1.00  0.00           C  
HETATM    5  C   UNL     1       0.166   0.679  -2.103  1.00  0.00           C  
HETATM    6  C   UNL     1       1.056  -0.227   0.818  1.00  0.00           C  
HETATM    7  C   UNL     1       1.122  -1.273   1.720  1.00  0.00           C  
HETATM    8  C   UNL     1       0.451  -1.189   2.925  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.284  -0.058   3.230  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.349   0.987   2.327  1.00  0.00           C  
HETATM   11  C   UNL     1       0.325   0.905   1.124  1.00  0.00           C  
HETATM   12  C   UNL     1       1.787  -0.320  -0.496  1.00  0.00           C  
HETATM   13  C   UNL     1       2.636   0.937  -0.697  1.00  0.00           C  
HETATM   14  C   UNL     1       3.747   0.976   0.353  1.00  0.00           C  
HETATM   15  C   UNL     1       3.257   0.914  -2.095  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.949  -0.949  -4.736  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.606   0.142  -5.264  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.369   1.416  -4.770  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.471   1.608  -3.743  1.00  0.00           C  
HETATM   20  O   UNL     1       1.060  -2.679  -1.735  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.388  -1.836  -3.173  1.00  0.00           O  
HETATM   22  O   UNL     1       0.430   1.902  -1.589  1.00  0.00           O  
HETATM   23 BR   UNL     1      -1.201   0.058   4.879  1.00  0.00          Br  
HETATM   24  H   UNL     1       1.696  -2.156   1.482  1.00  0.00           H  
HETATM   25  H   UNL     1       0.502  -2.006   3.630  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.924   1.870   2.564  1.00  0.00           H  
HETATM   27  H   UNL     1       0.275   1.721   0.419  1.00  0.00           H  
HETATM   28  H   UNL     1       2.434  -1.197  -0.492  1.00  0.00           H  
HETATM   29  H   UNL     1       2.006   1.820  -0.594  1.00  0.00           H  
HETATM   30  H   UNL     1       4.351   1.872   0.210  1.00  0.00           H  
HETATM   31  H   UNL     1       3.304   0.992   1.349  1.00  0.00           H  
HETATM   32  H   UNL     1       4.376   0.092   0.250  1.00  0.00           H  
HETATM   33  H   UNL     1       3.887   0.031  -2.199  1.00  0.00           H  
HETATM   34  H   UNL     1       2.466   0.886  -2.844  1.00  0.00           H  
HETATM   35  H   UNL     1       3.862   1.810  -2.238  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.142  -1.937  -5.128  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.312   0.003  -6.069  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.891   2.262  -5.192  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.288   2.601  -3.360  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.115   2.534  -2.077  1.00  0.00           H  
CONECT    1    2    5    5   12                                       
CONECT    2    1   20   20   21                                       
CONECT    3    4    4   16   21                                       
CONECT    4    3    3    5   19                                       
CONECT    5    1    1    4   22                                       
CONECT    6    7    7   11   12                                       
CONECT    7    6    6    8   24                                       
CONECT    8    7    9    9   25                                       
CONECT    9    8    8   10   23                                       
CONECT   10    9   11   11   26                                       
CONECT   11    6   10   10   27                                       
CONECT   12    1    6   13   28                                       
CONECT   13   12   14   15   29                                       
CONECT   14   13   30   31   32                                       
CONECT   15   13   33   34   35                                       
CONECT   16    3   17   17   36                                       
CONECT   17   16   16   18   37                                       
CONECT   18   17   19   19   38                                       
CONECT   19    4   18   18   39                                       
CONECT   20    2    2                                                 
CONECT   21    2    3                                                 
CONECT   22    5   40                                                 
CONECT   23    9                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
