COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       4.360   0.709  -0.088  1.00  0.00          Br  
HETATM    2  C   UNL     1       2.858  -0.405   0.190  1.00  0.00           C  
HETATM    3  C   UNL     1       1.626   0.000  -0.238  1.00  0.00           C  
HETATM    4  C   UNL     1       3.018  -1.632   0.823  1.00  0.00           C  
HETATM    5  C   UNL     1       1.938  -2.461   1.029  1.00  0.00           C  
HETATM    6  C   UNL     1       0.673  -2.070   0.602  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.567  -2.663   0.663  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.492  -1.821   0.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.931  -2.095  -0.055  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.424  -3.296   0.308  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.676  -1.239  -0.493  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.861  -0.698  -0.357  1.00  0.00           C  
HETATM   13  C   UNL     1       0.512  -0.823  -0.034  1.00  0.00           C  
HETATM   14  S   UNL     1      -1.618   0.670  -1.170  1.00  0.00           S  
HETATM   15  O   UNL     1      -0.563   1.424  -1.752  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.702   0.141  -1.921  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.286   1.629   0.004  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.609   2.738   0.692  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.607   3.320   1.715  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.595   2.145   1.943  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.659   1.516   0.527  1.00  0.00           C  
HETATM   22  H   UNL     1       1.512   0.954  -0.733  1.00  0.00           H  
HETATM   23  H   UNL     1       3.999  -1.939   1.155  1.00  0.00           H  
HETATM   24  H   UNL     1       2.073  -3.415   1.518  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.759  -3.530   1.053  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.830  -3.978   0.658  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.373  -3.477   0.221  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.723   2.369   1.207  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.328   3.506  -0.030  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.099   3.583   2.643  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.125   4.184   1.299  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.198   1.438   2.671  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.574   2.512   2.251  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.353   2.070  -0.106  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.956   0.469   0.590  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    4    3    1                                       
CONECT    3   13   13    2   22                                       
CONECT    4    5    2    2   23                                       
CONECT    5    6    6    4   24                                       
CONECT    6    7    5    5   13                                       
CONECT    7    8    6   25                                            
CONECT    8    9    7   12   12                                       
CONECT    9   11   11   10    8                                       
CONECT   10    9   26   27                                            
CONECT   11    9    9                                                 
CONECT   12    8    8   13   14                                       
CONECT   13    6   12    3    3                                       
CONECT   14   12   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   21                                            
CONECT   18   17   19   28   29                                       
CONECT   19   18   20   30   31                                       
CONECT   20   21   19   32   33                                       
CONECT   21   17   20   34   35                                       
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    7                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   18                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
