COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.085   2.380  -0.205  1.00  0.00           O  
HETATM    2  C   UNL     1       4.882   1.799  -0.032  1.00  0.00           C  
HETATM    3  O   UNL     1       3.962   2.435   0.442  1.00  0.00           O  
HETATM    4  C   UNL     1       4.681   0.391  -0.419  1.00  0.00           C  
HETATM    5  C   UNL     1       3.427  -0.217  -0.249  1.00  0.00           C  
HETATM    6  C   UNL     1       3.250  -1.544  -0.618  1.00  0.00           C  
HETATM    7  C   UNL     1       4.305  -2.260  -1.148  1.00  0.00           C  
HETATM    8  C   UNL     1       5.544  -1.664  -1.318  1.00  0.00           C  
HETATM    9  C   UNL     1       5.736  -0.345  -0.963  1.00  0.00           C  
HETATM   10  N   UNL     1       2.367   0.506   0.286  1.00  0.00           N  
HETATM   11  C   UNL     1       1.203  -0.124   0.598  1.00  0.00           C  
HETATM   12  N   UNL     1       0.949  -1.408   0.553  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.281  -1.752   0.915  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.310   0.607   1.166  1.00  0.00           S  
HETATM   15  O   UNL     1      -0.647  -2.917   0.918  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.136  -0.715   1.293  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.569  -0.845   1.743  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.477  -0.816   0.542  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.849  -1.977  -0.063  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.694  -1.971  -1.171  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.171  -0.803  -1.682  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.809   0.416  -1.085  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.950   0.410   0.043  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.282   1.642  -1.584  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.910   2.803  -0.979  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.066   2.797   0.130  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.592   1.629   0.643  1.00  0.00           C  
HETATM   28  H   UNL     1       6.169   3.305   0.064  1.00  0.00           H  
HETATM   29  H   UNL     1       2.288  -2.017  -0.490  1.00  0.00           H  
HETATM   30  H   UNL     1       4.163  -3.293  -1.433  1.00  0.00           H  
HETATM   31  H   UNL     1       6.362  -2.233  -1.733  1.00  0.00           H  
HETATM   32  H   UNL     1       6.703   0.116  -1.101  1.00  0.00           H  
HETATM   33  H   UNL     1       2.458   1.460   0.436  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.698  -1.788   2.275  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.817  -0.017   2.407  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.485  -2.918   0.323  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.973  -2.907  -1.633  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.824  -0.813  -2.542  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.936   1.662  -2.442  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.274   3.744  -1.364  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.786   3.733   0.590  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.942   1.639   1.506  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.034   0.919   2.445  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    9    9    5                                       
CONECT    5    4   10    6    6                                       
CONECT    6    5    5    7   29                                       
CONECT    7    8    8    6   30                                       
CONECT    8    9    7    7   31                                       
CONECT    9    4    4    8   32                                       
CONECT   10   11    5   33                                            
CONECT   11   14   10   12   12                                       
CONECT   12   11   11   13                                            
CONECT   13   16   12   15   15                                       
CONECT   14   11   16   16   43                                       
CONECT   15   13   13                                                 
CONECT   16   14   14   17   13                                       
CONECT   17   18   16   34   35                                       
CONECT   18   19   19   23   17                                       
CONECT   19   20   18   18   36                                       
CONECT   20   21   21   19   37                                       
CONECT   21   20   20   22   38                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   18   27   27                                       
CONECT   24   22   22   25   39                                       
CONECT   25   24   26   26   40                                       
CONECT   26   25   25   27   41                                       
CONECT   27   23   23   26   42                                       
CONECT   28    1                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   14                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
