COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.788   3.165   0.197  1.00  0.00           C  
HETATM    2  O   UNL     1       6.492   1.921   0.197  1.00  0.00           O  
HETATM    3  C   UNL     1       5.775   0.806  -0.109  1.00  0.00           C  
HETATM    4  C   UNL     1       4.425   0.908  -0.403  1.00  0.00           C  
HETATM    5  C   UNL     1       6.398  -0.438  -0.133  1.00  0.00           C  
HETATM    6  O   UNL     1       7.723  -0.543   0.156  1.00  0.00           O  
HETATM    7  C   UNL     1       8.295  -1.851   0.112  1.00  0.00           C  
HETATM    8  C   UNL     1       5.665  -1.570  -0.451  1.00  0.00           C  
HETATM    9  C   UNL     1       4.318  -1.462  -0.743  1.00  0.00           C  
HETATM   10  C   UNL     1       3.698  -0.226  -0.714  1.00  0.00           C  
HETATM   11  C   UNL     1       2.230  -0.114  -1.034  1.00  0.00           C  
HETATM   12  C   UNL     1       1.415  -0.269   0.252  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.013  -0.160  -0.058  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.926  -0.266   0.927  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.566  -0.451   2.073  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.367  -0.156   0.613  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.784   0.052  -0.702  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.130   0.153  -0.988  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.316  -0.265   1.631  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.659  -0.162   1.332  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.065   0.050   0.026  1.00  0.00           C  
HETATM   22  S   UNL     1      -6.782   0.181  -0.347  1.00  0.00           S  
HETATM   23  O   UNL     1      -7.424   0.588   0.854  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.874   0.910  -1.563  1.00  0.00           O  
HETATM   25  N   UNL     1      -7.331  -1.347  -0.675  1.00  0.00           N  
HETATM   26  H   UNL     1       5.372   3.347  -0.794  1.00  0.00           H  
HETATM   27  H   UNL     1       4.980   3.126   0.928  1.00  0.00           H  
HETATM   28  H   UNL     1       6.474   3.971   0.456  1.00  0.00           H  
HETATM   29  H   UNL     1       3.940   1.873  -0.389  1.00  0.00           H  
HETATM   30  H   UNL     1       7.787  -2.494   0.831  1.00  0.00           H  
HETATM   31  H   UNL     1       8.180  -2.264  -0.890  1.00  0.00           H  
HETATM   32  H   UNL     1       9.354  -1.793   0.361  1.00  0.00           H  
HETATM   33  H   UNL     1       6.147  -2.536  -0.475  1.00  0.00           H  
HETATM   34  H   UNL     1       3.748  -2.345  -0.991  1.00  0.00           H  
HETATM   35  H   UNL     1       2.028   0.861  -1.477  1.00  0.00           H  
HETATM   36  H   UNL     1       1.950  -0.898  -1.737  1.00  0.00           H  
HETATM   37  H   UNL     1       1.617  -1.244   0.695  1.00  0.00           H  
HETATM   38  H   UNL     1       1.695   0.515   0.956  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.300  -0.012  -0.973  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.055   0.133  -1.495  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.454   0.313  -2.006  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.000  -0.430   2.651  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.394  -0.246   2.118  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.720  -2.100  -0.636  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.262  -1.489  -0.906  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    3    1                                                 
CONECT    3    5    5    4    2                                       
CONECT    4   10   10    3   29                                       
CONECT    5    8    6    3    3                                       
CONECT    6    7    5                                                 
CONECT    7    6   30   31   32                                       
CONECT    8    9    9    5   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   11    4    4                                       
CONECT   11   12   10   35   36                                       
CONECT   12   13   11   37   38                                       
CONECT   13   12   14   39                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   19   19   17                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   21   41                                       
CONECT   19   16   16   20   42                                       
CONECT   20   19   21   21   43                                       
CONECT   21   20   20   18   22                                       
CONECT   22   21   25   24   24                                       
CONECT   22   23   23                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   44   45                                            
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
