COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -6.772  -0.289  -0.024  1.00  0.00          Br  
HETATM    2  C   UNL     1      -4.884  -0.375  -0.089  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.236  -1.558   0.219  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.857  -1.624   0.172  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.154   0.743  -0.449  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.775   0.683  -0.499  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.122  -0.501  -0.184  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.724  -0.565  -0.233  1.00  0.00           N  
HETATM    9  C   UNL     1       0.012   0.519   0.082  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.533   1.523   0.500  1.00  0.00           O  
HETATM   11  N   UNL     1       1.351   0.490  -0.065  1.00  0.00           N  
HETATM   12  C   UNL     1       2.151   1.669   0.278  1.00  0.00           C  
HETATM   13  C   UNL     1       1.730   2.846  -0.604  1.00  0.00           C  
HETATM   14  C   UNL     1       1.925   2.028   1.749  1.00  0.00           C  
HETATM   15  C   UNL     1       3.610   1.369   0.053  1.00  0.00           C  
HETATM   16  C   UNL     1       4.059   0.064   0.093  1.00  0.00           C  
HETATM   17  C   UNL     1       5.411  -0.212  -0.117  1.00  0.00           C  
HETATM   18  C   UNL     1       5.898  -1.605  -0.077  1.00  0.00           C  
HETATM   19  N   UNL     1       5.071  -2.573   0.153  1.00  0.00           N  
HETATM   20  O   UNL     1       5.539  -3.909   0.192  1.00  0.00           O  
HETATM   21  C   UNL     1       7.359  -1.900  -0.303  1.00  0.00           C  
HETATM   22  C   UNL     1       6.301   0.835  -0.366  1.00  0.00           C  
HETATM   23  C   UNL     1       5.839   2.134  -0.403  1.00  0.00           C  
HETATM   24  C   UNL     1       4.496   2.401  -0.199  1.00  0.00           C  
HETATM   25  H   UNL     1      -4.809  -2.431   0.496  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.352  -2.547   0.413  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.662   1.664  -0.693  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.205   1.556  -0.780  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.285  -1.390  -0.494  1.00  0.00           H  
HETATM   30  H   UNL     1       1.786  -0.310  -0.398  1.00  0.00           H  
HETATM   31  H   UNL     1       1.891   2.590  -1.651  1.00  0.00           H  
HETATM   32  H   UNL     1       0.674   3.063  -0.441  1.00  0.00           H  
HETATM   33  H   UNL     1       2.325   3.722  -0.349  1.00  0.00           H  
HETATM   34  H   UNL     1       2.520   2.905   2.004  1.00  0.00           H  
HETATM   35  H   UNL     1       0.870   2.245   1.912  1.00  0.00           H  
HETATM   36  H   UNL     1       2.225   1.190   2.378  1.00  0.00           H  
HETATM   37  H   UNL     1       3.365  -0.741   0.286  1.00  0.00           H  
HETATM   38  H   UNL     1       4.848  -4.562   0.370  1.00  0.00           H  
HETATM   39  H   UNL     1       7.886  -1.880   0.650  1.00  0.00           H  
HETATM   40  H   UNL     1       7.464  -2.885  -0.757  1.00  0.00           H  
HETATM   41  H   UNL     1       7.782  -1.146  -0.968  1.00  0.00           H  
HETATM   42  H   UNL     1       7.348   0.628  -0.528  1.00  0.00           H  
HETATM   43  H   UNL     1       6.526   2.945  -0.595  1.00  0.00           H  
HETATM   44  H   UNL     1       4.139   3.420  -0.233  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    5    5    3    1                                       
CONECT    3    4    4    2   25                                       
CONECT    4    7    3    3   26                                       
CONECT    5    6    2    2   27                                       
CONECT    6    7    7    5   28                                       
CONECT    7    8    6    6    4                                       
CONECT    8    9    7   29                                            
CONECT    9   11    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   30                                            
CONECT   12   13   15   14   11                                       
CONECT   13   12   31   32   33                                       
CONECT   14   12   34   35   36                                       
CONECT   15   12   24   24   16                                       
CONECT   16   15   17   17   37                                       
CONECT   17   16   16   22   18                                       
CONECT   18   17   21   19   19                                       
CONECT   19   18   18   20                                            
CONECT   20   19   38                                                 
CONECT   21   18   39   40   41                                       
CONECT   22   23   23   17   42                                       
CONECT   23   24   22   22   43                                       
CONECT   24   15   15   23   44                                       
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
