COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.338  -0.091   1.157  1.00  0.00           C  
HETATM    2  C   UNL     1       2.987  -0.993   2.060  1.00  0.00           C  
HETATM    3  C   UNL     1       2.859   0.115  -0.123  1.00  0.00           C  
HETATM    4  C   UNL     1       2.227   0.981  -0.994  1.00  0.00           C  
HETATM    5  C   UNL     1       1.080   1.646  -0.604  1.00  0.00           C  
HETATM    6  C   UNL     1       0.554   1.448   0.668  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.923  -2.155   0.053  1.00  0.00           C  
HETATM    8  C   UNL     1       1.179   0.580   1.549  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.456  -0.391  -1.363  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.843  -0.460  -0.777  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.800  -1.238  -0.162  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.753   0.075   0.212  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501   0.565  -0.191  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.606   2.123   1.057  1.00  0.00           N  
HETATM   15  N   UNL     1       3.502  -1.709   2.776  1.00  0.00           N  
HETATM   16  N   UNL     1      -4.837  -3.435  -0.363  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.629  -1.544  -0.758  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.385   2.616  -1.233  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.918   2.918   0.718  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.933  -1.762   0.606  1.00  0.00           O  
HETATM   21  S   UNL     1      -1.900   2.207   0.027  1.00  0.00           S  
HETATM   22 BR   UNL     1       4.429  -0.791  -0.663  1.00  0.00          Br  
HETATM   23  H   UNL     1       2.631   1.140  -1.983  1.00  0.00           H  
HETATM   24  H   UNL     1       0.591   2.322  -1.289  1.00  0.00           H  
HETATM   25  H   UNL     1       0.769   0.422   2.536  1.00  0.00           H  
HETATM   26  H   UNL     1       0.275  -0.641  -0.594  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.374  -1.101  -2.186  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.266   0.617  -1.731  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.530   0.629   0.717  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.653   2.542   1.930  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.032  -3.749  -0.803  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.581  -4.042  -0.221  1.00  0.00           H  
CONECT    1    2    3    3    8                                       
CONECT    2   15   15   15    1                                       
CONECT    3   22    1    1    4                                       
CONECT    4    3    5    5   23                                       
CONECT    5    4    4    6   24                                       
CONECT    6    8    8    5   14                                       
CONECT    7   16   20   20   11                                       
CONECT    8    1    6    6   25                                       
CONECT    9   10   26   27   28                                       
CONECT   10   17   13   13    9                                       
CONECT   11    7   17   12   12                                       
CONECT   12   11   11   13   29                                       
CONECT   13   12   10   10   21                                       
CONECT   14    6   21   30                                            
CONECT   15    2    2    2                                            
CONECT   16    7   31   32                                            
CONECT   17   11   10                                                 
CONECT   18   21   21                                                 
CONECT   19   21   21                                                 
CONECT   20    7    7                                                 
CONECT   21   13   14   19   19                                       
CONECT   21   18   18                                                 
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
