COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.689  -1.451  -0.396  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.127  -1.843   0.903  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.185  -1.638  -0.107  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.045  -0.826  -0.189  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.281  -1.133   0.060  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.069  -2.979  -0.214  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.272  -3.744  -0.121  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.163   0.530  -0.081  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.134   1.428   0.010  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.384   2.722   0.111  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.854   3.071   0.112  1.00  0.00           C  
HETATM   12  S   UNL     1      -3.677   1.451  -0.042  1.00  0.00           S  
HETATM   13  C   UNL     1       0.191   0.972  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1       0.936   1.032  -1.172  1.00  0.00           C  
HETATM   15  C   UNL     1       2.242   0.583  -1.181  1.00  0.00           C  
HETATM   16  C   UNL     1       2.808   0.074  -0.025  1.00  0.00           C  
HETATM   17  C   UNL     1       2.068   0.013   1.142  1.00  0.00           C  
HETATM   18  C   UNL     1       0.763   0.466   1.158  1.00  0.00           C  
HETATM   19 BR   UNL     1       4.597  -0.540  -0.042  1.00  0.00          Br  
HETATM   20  O   UNL     1      -0.509   3.557   0.195  1.00  0.00           O  
HETATM   21  H   UNL     1      -4.037  -4.804  -0.222  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.741  -3.567   0.847  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.955  -3.446  -0.916  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.132   3.559   1.046  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.099   3.707  -0.739  1.00  0.00           H  
HETATM   26  H   UNL     1       0.495   1.428  -2.074  1.00  0.00           H  
HETATM   27  H   UNL     1       2.822   0.628  -2.091  1.00  0.00           H  
HETATM   28  H   UNL     1       2.512  -0.385   2.042  1.00  0.00           H  
HETATM   29  H   UNL     1       0.187   0.423   2.070  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.027  -0.730  -0.876  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.788  -2.332  -1.031  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.754  -2.461   1.396  1.00  0.00           H  
HETATM   33  H   UNL     1       0.782  -2.265   0.791  1.00  0.00           H  
CONECT    1    4    2   30   31                                       
CONECT    2    1   32   33                                            
CONECT    3    5    5    6    4                                       
CONECT    4    3    1    8    8                                       
CONECT    5    3    3                                                 
CONECT    6    7    3                                                 
CONECT    7    6   21   22   23                                       
CONECT    8    4    4   12    9                                       
CONECT    9    8   10   13                                            
CONECT   10   11    9   20   20                                       
CONECT   11   12   10   24   25                                       
CONECT   12    8   11                                                 
CONECT   13   14    9   18   18                                       
CONECT   14   15   15   13   26                                       
CONECT   15   14   14   16   27                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   28                                       
CONECT   18   13   13   17   29                                       
CONECT   19   16                                                      
CONECT   20   10   10                                                 
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
