COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.149   0.864   0.015  1.00  0.00           C  
HETATM    2  C   UNL     1       4.484  -1.125   0.179  1.00  0.00           C  
HETATM    3  C   UNL     1       5.541   1.005  -0.147  1.00  0.00           C  
HETATM    4  C   UNL     1       4.307   1.623  -0.149  1.00  0.00           C  
HETATM    5  C   UNL     1       1.676   2.851  -0.147  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.138   2.161   0.305  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.277  -1.250  -2.687  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.510  -2.604  -2.532  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.626  -3.145  -1.266  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.508  -2.332  -0.153  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.632  -2.911   1.203  1.00  0.00           N  
HETATM   12  O   UNL     1      -4.740  -4.117   1.343  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.627  -2.183   2.179  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.275  -0.979  -0.308  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.147  -0.093   0.904  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.992   1.340   0.465  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.804   1.827   0.231  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.684   0.987   0.270  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.412   1.521   0.134  1.00  0.00           C  
HETATM   20  N   UNL     1       0.693   0.841   0.154  1.00  0.00           N  
HETATM   21  C   UNL     1       1.820   1.521   0.008  1.00  0.00           C  
HETATM   22  C   UNL     1       3.246  -0.517   0.180  1.00  0.00           C  
HETATM   23  C   UNL     1       5.630  -0.366   0.016  1.00  0.00           C  
HETATM   24  S   UNL     1      -0.044   3.228  -0.090  1.00  0.00           S  
HETATM   25  O   UNL     1      -4.995   3.470   0.012  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.250   1.684   0.432  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.160  -0.438  -1.575  1.00  0.00           C  
HETATM   28 BR   UNL     1       7.325  -1.206   0.018  1.00  0.00          Br  
HETATM   29  H   UNL     1       4.560  -2.195   0.307  1.00  0.00           H  
HETATM   30  H   UNL     1       6.438   1.593  -0.274  1.00  0.00           H  
HETATM   31  H   UNL     1       4.238   2.693  -0.277  1.00  0.00           H  
HETATM   32  H   UNL     1       2.477   3.563  -0.279  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.182  -0.828  -3.677  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.602  -3.239  -3.401  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.809  -4.202  -1.145  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.040  -0.189   1.521  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.272  -0.392   1.482  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.798   0.031   0.392  1.00  0.00           H  
HETATM   39  H   UNL     1       2.352  -1.110   0.307  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.832   3.947  -0.078  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.973   0.619  -1.696  1.00  0.00           H  
CONECT    1    4   21   22   22                                       
CONECT    2   23   23   22   29                                       
CONECT    3    4    4   23   30                                       
CONECT    4    3    3    1   31                                       
CONECT    5   24   21   21   32                                       
CONECT    6   26   26   16   25                                       
CONECT    7    8   27   27   33                                       
CONECT    8    9    9    7   34                                       
CONECT    9    8    8   10   35                                       
CONECT   10    9   11   14   14                                       
CONECT   11   13   13   12   12                                       
CONECT   11   10                                                      
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   10   10   27   15                                       
CONECT   15   14   16   36   37                                       
CONECT   16   15    6   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   38                                            
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21                                            
CONECT   21   20    1    5    5                                       
CONECT   22    1    1    2   39                                       
CONECT   23    3    2    2   28                                       
CONECT   24   19    5                                                 
CONECT   25    6   40                                                 
CONECT   26    6    6                                                 
CONECT   27    7    7   14   41                                       
CONECT   28   23                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   27                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
