COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.458  -1.137   0.677  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.226   0.228   0.560  1.00  0.00           C  
HETATM    3  C   UNL     1       0.451   2.585   0.218  1.00  0.00           C  
HETATM    4  C   UNL     1       1.579   1.638   0.090  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.933   0.769   1.118  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.907   3.052   0.736  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.967   2.518  -0.227  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.166   1.037  -0.038  1.00  0.00           C  
HETATM    9  O   UNL     1       0.600   3.753  -0.084  1.00  0.00           O  
HETATM   10  C   UNL     1       2.376   1.649  -1.056  1.00  0.00           C  
HETATM   11  C   UNL     1       3.427   0.763  -1.170  1.00  0.00           C  
HETATM   12  C   UNL     1       1.856   0.734   1.116  1.00  0.00           C  
HETATM   13  C   UNL     1       2.911  -0.146   0.990  1.00  0.00           C  
HETATM   14  C   UNL     1       3.693  -0.134  -0.151  1.00  0.00           C  
HETATM   15  S   UNL     1       5.037  -1.263  -0.305  1.00  0.00           S  
HETATM   16  N   UNL     1       6.375  -0.522   0.331  1.00  0.00           N  
HETATM   17  O   UNL     1       4.741  -2.358   0.551  1.00  0.00           O  
HETATM   18  O   UNL     1       5.283  -1.408  -1.697  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.743   2.153   0.671  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.352   0.483  -0.506  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.591  -0.873  -0.386  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.635  -1.691   0.208  1.00  0.00           C  
HETATM   23  H   UNL     1      -1.713  -1.770   1.135  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.969   0.742   2.207  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.102   0.157   0.767  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.613   4.058   0.439  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.306   3.068   1.750  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.910   3.033  -0.043  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.648   2.708  -1.252  1.00  0.00           H  
HETATM   30  H   UNL     1       2.169   2.348  -1.853  1.00  0.00           H  
HETATM   31  H   UNL     1       4.044   0.770  -2.056  1.00  0.00           H  
HETATM   32  H   UNL     1       1.246   0.724   2.008  1.00  0.00           H  
HETATM   33  H   UNL     1       3.126  -0.846   1.784  1.00  0.00           H  
HETATM   34  H   UNL     1       7.075  -1.053   0.742  1.00  0.00           H  
HETATM   35  H   UNL     1       6.458   0.444   0.293  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.094   1.118  -0.967  1.00  0.00           H  
HETATM   37  O   UNL     1      -5.755  -1.405  -0.846  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.856  -3.028   0.326  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.689  -0.503  -1.443  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.828  -3.803   0.947  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.228  -0.020  -2.304  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.572  -1.056  -1.766  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.981   0.253  -0.715  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.905  -3.708   0.374  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.664  -3.443   1.962  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.131  -4.850   0.977  1.00  0.00           H  
CONECT    1   22   22    2   23                                       
CONECT    2    1    5    8    8                                       
CONECT    3    9    9   19    4                                       
CONECT    4    3   10   10   12                                       
CONECT    5    2   19   24   25                                       
CONECT    6   19    7   26   27                                       
CONECT    7    8    6   28   29                                       
CONECT    8    2    2   20    7                                       
CONECT    9    3    3                                                 
CONECT   10    4    4   11   30                                       
CONECT   11   10   14   14   31                                       
CONECT   12    4   13   13   32                                       
CONECT   13   12   12   14   33                                       
CONECT   14   11   11   13   15                                       
CONECT   15   14   16   17   17                                       
CONECT   15   18   18                                                 
CONECT   16   15   34   35                                            
CONECT   17   15   15                                                 
CONECT   18   15   15                                                 
CONECT   19    5    3    6                                            
CONECT   20   21   21    8   36                                       
CONECT   21   22   20   20   37                                       
CONECT   22    1    1   21   38                                       
CONECT   23    1                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   20                                                      
CONECT   37   21   39                                                 
CONECT   38   22   40                                                 
CONECT   39   37   41   42   43                                       
CONECT   40   38   44   45   46                                       
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43   39                                                      
CONECT   44   40                                                      
CONECT   45   40                                                      
CONECT   46   40                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
