COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.167   0.426   0.228  1.00  0.00           N  
HETATM    2  C   UNL     1       1.163   2.046   1.764  1.00  0.00           C  
HETATM    3  O   UNL     1       0.240   2.523  -0.418  1.00  0.00           O  
HETATM    4  C   UNL     1       1.452   2.208   0.270  1.00  0.00           C  
HETATM    5  C   UNL     1       3.715  -0.828  -0.297  1.00  0.00           C  
HETATM    6  C   UNL     1       5.013  -1.165   0.439  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.786   1.641  -0.296  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.029   1.942  -0.835  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.071   1.044  -0.709  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.877  -0.154  -0.045  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.639  -0.456   0.493  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.592   0.437   0.364  1.00  0.00           C  
HETATM   13  C   UNL     1       2.464   3.338   0.065  1.00  0.00           C  
HETATM   14  C   UNL     1       2.019   0.922  -0.274  1.00  0.00           C  
HETATM   15  O   UNL     1       1.442   0.333  -1.164  1.00  0.00           O  
HETATM   16  S   UNL     1       5.691  -2.717  -0.211  1.00  0.00           S  
HETATM   17 BR   UNL     1      -4.306  -1.381   0.126  1.00  0.00          Br  
HETATM   18  H   UNL     1       3.629   0.896   0.939  1.00  0.00           H  
HETATM   19  H   UNL     1       0.329   1.358   1.900  1.00  0.00           H  
HETATM   20  H   UNL     1       2.047   1.649   2.264  1.00  0.00           H  
HETATM   21  H   UNL     1       0.909   3.016   2.192  1.00  0.00           H  
HETATM   22  H   UNL     1       2.993  -1.631  -0.147  1.00  0.00           H  
HETATM   23  H   UNL     1       3.919  -0.717  -1.362  1.00  0.00           H  
HETATM   24  H   UNL     1       5.735  -0.362   0.288  1.00  0.00           H  
HETATM   25  H   UNL     1       4.809  -1.275   1.504  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.181   2.877  -1.353  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.038   1.278  -1.129  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.489  -1.392   1.011  1.00  0.00           H  
HETATM   29  H   UNL     1       0.375   0.199   0.781  1.00  0.00           H  
HETATM   30  H   UNL     1       2.020   4.283   0.378  1.00  0.00           H  
HETATM   31  H   UNL     1       3.355   3.140   0.661  1.00  0.00           H  
HETATM   32  H   UNL     1       2.737   3.395  -0.988  1.00  0.00           H  
HETATM   33  H   UNL     1       6.811  -2.885   0.515  1.00  0.00           H  
CONECT    1    5   14   18                                            
CONECT    2    4   19   20   21                                       
CONECT    3    4    7                                                 
CONECT    4   14   13    3    2                                       
CONECT    5    6    1   22   23                                       
CONECT    6    5   16   24   25                                       
CONECT    7    3    8    8   12                                       
CONECT    8    7    7    9   26                                       
CONECT    9    8   10   10   27                                       
CONECT   10    9    9   11   17                                       
CONECT   11   12   12   10   28                                       
CONECT   12    7   11   11   29                                       
CONECT   13    4   30   31   32                                       
CONECT   14    1   15   15    4                                       
CONECT   15   14   14                                                 
CONECT   16    6   33                                                 
CONECT   17   10                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
