COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      15.830   2.898  18.007  1.00  0.00           O  
HETATM    2  S   UNL     1      15.327   2.575  16.671  1.00  0.00           S  
HETATM    3  O   UNL     1      13.924   2.937  16.458  1.00  0.00           O  
HETATM    4  N   UNL     1      15.519   1.085  16.347  1.00  0.00           N  
HETATM    5  C   UNL     1      16.394   3.509  15.539  1.00  0.00           C  
HETATM    6  C   UNL     1      16.037   3.274  14.112  1.00  0.00           C  
HETATM    7  C   UNL     1      17.119   3.874  13.213  1.00  0.00           C  
HETATM    8  C   UNL     1      17.179   5.425  13.040  1.00  0.00           C  
HETATM    9  B   UNL     1      15.801   6.126  12.323  1.00  0.00           B  
HETATM   10  B   UNL     1      16.371   7.437  11.403  1.00  0.00           B  
HETATM   11  B   UNL     1      17.333   5.919  11.449  1.00  0.00           B  
HETATM   12  B   UNL     1      17.151   8.520  12.490  1.00  0.00           B  
HETATM   13  B   UNL     1      15.651   7.696  13.024  1.00  0.00           B  
HETATM   14  B   UNL     1      18.157   7.451  11.522  1.00  0.00           B  
HETATM   15  B   UNL     1      18.727   6.144  12.573  1.00  0.00           B  
HETATM   16  B   UNL     1      18.577   7.751  13.254  1.00  0.00           B  
HETATM   17  B   UNL     1      18.018   6.408  14.166  1.00  0.00           B  
HETATM   18  B   UNL     1      17.004   7.924  14.123  1.00  0.00           B  
HETATM   19  C   UNL     1      16.258   6.427  13.991  1.00  0.00           C  
HETATM   20  H   UNL     1      15.167   0.895  15.431  1.00  0.00           H  
HETATM   21  H   UNL     1      16.492   0.859  16.384  1.00  0.00           H  
HETATM   22  H   UNL     1      16.291   4.582  15.759  1.00  0.00           H  
HETATM   23  H   UNL     1      17.438   3.200  15.699  1.00  0.00           H  
HETATM   24  H   UNL     1      15.963   2.193  13.925  1.00  0.00           H  
HETATM   25  H   UNL     1      15.071   3.751  13.892  1.00  0.00           H  
HETATM   26  H   UNL     1      18.090   3.556  13.620  1.00  0.00           H  
HETATM   27  H   UNL     1      16.983   3.442  12.211  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   20   21                                            
CONECT    5    2    6   22   23                                       
CONECT    6    5    7   24   25                                       
CONECT    7    6    8   26   27                                       
CONECT    8    7    9   11   17                                       
CONECT    8   19   15                                                 
CONECT    9    8   10   11   13                                       
CONECT    9   19                                                      
CONECT   10    9   12   13   14                                       
CONECT   10   11                                                      
CONECT   11    8    9   14   10                                       
CONECT   11   15                                                      
CONECT   12   10   13   14   16                                       
CONECT   12   18                                                      
CONECT   13    9   10   12   18                                       
CONECT   13   19                                                      
CONECT   14   10   11   12   15                                       
CONECT   14   16                                                      
CONECT   15   14   16   17    8                                       
CONECT   15   11                                                      
CONECT   16   12   15   17   18                                       
CONECT   16   14                                                      
CONECT   17    8   15   16   19                                       
CONECT   17   18                                                      
CONECT   18   12   13   19   17                                       
CONECT   18   16                                                      
CONECT   19    8   13   18   17                                       
CONECT   19    9                                                      
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
