COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.612   1.010  -0.156  1.00  0.00           C  
HETATM    2  C   UNL     1       2.409   0.373  -0.079  1.00  0.00           C  
HETATM    3  C   UNL     1       1.230   1.125  -0.009  1.00  0.00           C  
HETATM    4  C   UNL     1       1.297   2.539  -0.018  1.00  0.00           C  
HETATM    5  C   UNL     1       2.555   3.162  -0.099  1.00  0.00           C  
HETATM    6  C   UNL     1       3.682   2.402  -0.165  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.040   0.500   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.162   1.317   0.138  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.007   2.698   0.124  1.00  0.00           C  
HETATM   10  N   UNL     1       0.175   3.262   0.048  1.00  0.00           N  
HETATM   11 BR   UNL     1       5.204  -0.006  -0.242  1.00  0.00          Br  
HETATM   12  C   UNL     1      -2.538   0.709   0.225  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.091   0.914   1.612  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.397   1.338  -0.728  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.433   0.488  -1.226  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.312   0.021  -0.064  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.287   1.262  -2.233  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.809  -0.727  -1.914  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.065   1.610   1.778  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.501   0.323   2.664  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.167  -0.975   0.084  1.00  0.00           C  
HETATM   22  C   UNL     1       0.348  -1.713   1.150  1.00  0.00           C  
HETATM   23  C   UNL     1       0.227  -3.087   1.157  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.405  -3.734   0.108  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.918  -3.007  -0.953  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.807  -1.632  -0.967  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.233   3.572   0.197  1.00  0.00           C  
HETATM   28 CL   UNL     1      -0.554  -5.464   0.123  1.00  0.00          Cl  
HETATM   29  H   UNL     1       2.366  -0.707  -0.073  1.00  0.00           H  
HETATM   30  H   UNL     1       2.627   4.240  -0.107  1.00  0.00           H  
HETATM   31  H   UNL     1       4.646   2.885  -0.226  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.478  -0.358   0.012  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.757   0.887   0.426  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.102  -0.627  -0.444  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.704  -0.530   0.654  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.731   2.128  -1.742  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.660   1.594  -3.060  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.077   0.614  -2.612  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.599  -1.375  -2.293  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.182  -0.395  -2.741  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.201  -1.278  -1.196  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.892   0.484   3.533  1.00  0.00           H  
HETATM   43  H   UNL     1       0.841  -1.210   1.969  1.00  0.00           H  
HETATM   44  H   UNL     1       0.625  -3.660   1.982  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.409  -3.517  -1.768  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.208  -1.066  -1.795  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.533   3.690   1.238  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.008   4.549  -0.230  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.044   3.108  -0.364  1.00  0.00           H  
CONECT    1    6   11    2    2                                       
CONECT    2    1    1    3   29                                       
CONECT    3    4    2    7    7                                       
CONECT    4    5   10   10    3                                       
CONECT    5    6    6    4   30                                       
CONECT    6    5    5    1   31                                       
CONECT    7    3    3    8   21                                       
CONECT    8    9    9    7   12                                       
CONECT    9   10   27    8    8                                       
CONECT   10    4    4    9                                            
CONECT   11    1                                                      
CONECT   12   14    8   13   32                                       
CONECT   13   12   19   19   20                                       
CONECT   14   15   12                                                 
CONECT   15   18   17   16   14                                       
CONECT   16   15   33   34   35                                       
CONECT   17   15   36   37   38                                       
CONECT   18   15   39   40   41                                       
CONECT   19   13   13                                                 
CONECT   20   13   42                                                 
CONECT   21   26    7   22   22                                       
CONECT   22   21   21   23   43                                       
CONECT   23   24   24   22   44                                       
CONECT   24   25   28   23   23                                       
CONECT   25   26   26   24   45                                       
CONECT   26   25   25   21   46                                       
CONECT   27    9   47   48   49                                       
CONECT   28   24                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   12                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
