COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.249   1.716  -1.362  1.00  0.00           O  
HETATM    2  C   UNL     1       3.911   1.421  -0.234  1.00  0.00           C  
HETATM    3  O   UNL     1       4.455   2.059   0.821  1.00  0.00           O  
HETATM    4  C   UNL     1       2.898   0.366  -0.017  1.00  0.00           C  
HETATM    5  S   UNL     1       2.453  -0.022   1.469  1.00  0.00           S  
HETATM    6  C   UNL     1       2.285  -0.343  -1.197  1.00  0.00           C  
HETATM    7  C   UNL     1       1.290  -1.364  -0.708  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.116  -1.121  -0.377  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.936   0.008  -0.396  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.246  -0.097  -0.018  1.00  0.00           C  
HETATM   11 BR   UNL     1      -3.356   1.433  -0.044  1.00  0.00          Br  
HETATM   12  C   UNL     1      -2.766  -1.320   0.386  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.974  -2.447   0.412  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.639  -2.362   0.031  1.00  0.00           C  
HETATM   15  N   UNL     1       0.384  -3.280  -0.051  1.00  0.00           N  
HETATM   16  C   UNL     1       1.523  -2.669  -0.498  1.00  0.00           C  
HETATM   17  H   UNL     1       5.110   2.744   0.629  1.00  0.00           H  
HETATM   18  H   UNL     1       1.778   0.382  -1.834  1.00  0.00           H  
HETATM   19  H   UNL     1       3.068  -0.843  -1.768  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.538   0.962  -0.709  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.803  -1.388   0.683  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.388  -3.393   0.729  1.00  0.00           H  
HETATM   23  H   UNL     1       0.307  -4.221   0.172  1.00  0.00           H  
HETATM   24  H   UNL     1       2.471  -3.163  -0.656  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   17                                                 
CONECT    4    6    5    5    2                                       
CONECT    5    4    4                                                 
CONECT    6    7    4   18   19                                       
CONECT    7    8    6   16   16                                       
CONECT    8    9   14   14    7                                       
CONECT    9   10   10    8   20                                       
CONECT   10   11    9    9   12                                       
CONECT   11   10                                                      
CONECT   12   10   13   13   21                                       
CONECT   13   12   12   14   22                                       
CONECT   14    8    8   13   15                                       
CONECT   15   14   16   23                                            
CONECT   16    7    7   15   24                                       
CONECT   17    3                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    9                                                      
CONECT   21   12                                                      
CONECT   22   13                                                      
CONECT   23   15                                                      
CONECT   24   16                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
