COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.438   1.813  -0.767  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.978   0.689  -0.497  1.00  0.00           C  
HETATM    3  C   UNL     1       0.307   1.280  -0.264  1.00  0.00           C  
HETATM    4  C   UNL     1       3.281  -0.076   1.889  1.00  0.00           C  
HETATM    5  C   UNL     1       3.780  -0.610  -0.331  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.280  -0.300   1.019  1.00  0.00           C  
HETATM    7  C   UNL     1       4.622  -2.869  -0.520  1.00  0.00           C  
HETATM    8  C   UNL     1       4.395  -1.508  -2.478  1.00  0.00           C  
HETATM    9  C   UNL     1       4.749  -2.709  -1.880  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.205  -0.201   0.061  1.00  0.00           C  
HETATM   11  C   UNL     1       4.135  -1.821   0.268  1.00  0.00           C  
HETATM   12  C   UNL     1       3.921  -0.475  -1.729  1.00  0.00           C  
HETATM   13  C   UNL     1       3.298   0.355   0.644  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.096   0.185   0.691  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.811   1.239  -1.016  1.00  0.00           N  
HETATM   16  O   UNL     1       3.800   2.514  -0.630  1.00  0.00           O  
HETATM   17  O   UNL     1       2.334   2.602   1.393  1.00  0.00           O  
HETATM   18  O   UNL     1       0.295   0.836   0.867  1.00  0.00           O  
HETATM   19  S   UNL     1       2.776   1.977   0.195  1.00  0.00           S  
HETATM   20  S   UNL     1       3.866  -1.725   2.004  1.00  0.00           S  
HETATM   21  S   UNL     1      -3.463   0.572  -1.337  1.00  0.00           S  
HETATM   22 BR   UNL     1      -5.997  -0.790   0.184  1.00  0.00          Br  
HETATM   23  H   UNL     1       1.470   2.096  -1.695  1.00  0.00           H  
HETATM   24  H   UNL     1       2.953   0.513   2.733  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.483  -0.741   1.984  1.00  0.00           H  
HETATM   26  H   UNL     1       4.897  -3.806  -0.059  1.00  0.00           H  
HETATM   27  H   UNL     1       4.499  -1.391  -3.546  1.00  0.00           H  
HETATM   28  H   UNL     1       5.124  -3.522  -2.484  1.00  0.00           H  
HETATM   29  H   UNL     1       3.650   0.455  -2.208  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.801   1.593  -1.919  1.00  0.00           H  
CONECT    1    3   19   23                                            
CONECT    2   14   14   15   21                                       
CONECT    3   15    1   18   18                                       
CONECT    4   13   13   20   24                                       
CONECT    5   12   12   11   13                                       
CONECT    6   14   10   10   25                                       
CONECT    7    9   11   11   26                                       
CONECT    8    9    9   12   27                                       
CONECT    9    8    8    7   28                                       
CONECT   10    6    6   21   22                                       
CONECT   11    7    7    5   20                                       
CONECT   12    8    5    5   29                                       
CONECT   13    5   19    4    4                                       
CONECT   14    2    2    6                                            
CONECT   15    2    3   30                                            
CONECT   16   19   19                                                 
CONECT   17   19   19                                                 
CONECT   18    3    3                                                 
CONECT   19    1   16   16   13                                       
CONECT   19   17   17                                                 
CONECT   20   11    4                                                 
CONECT   21    2   10                                                 
CONECT   22   10                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
