COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.331   1.588  -0.037  1.00  0.00           N  
HETATM    2  C   UNL     1       1.538   2.410   0.083  1.00  0.00           C  
HETATM    3  C   UNL     1       2.725   1.639  -0.434  1.00  0.00           C  
HETATM    4  C   UNL     1       3.235   1.710  -1.676  1.00  0.00           C  
HETATM    5  C   UNL     1       4.410   0.293  -0.518  1.00  0.00           C  
HETATM    6  C   UNL     1       6.408  -1.174  -0.953  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.077   1.251   0.235  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.431   0.921   0.507  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.824  -2.289  -0.532  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.431  -3.113   0.606  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.273  -0.372  -0.034  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.003  -0.045  -0.293  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.824  -2.200  -1.686  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.515  -0.942  -0.048  1.00  0.00           N  
HETATM   15  N   UNL     1      -6.445  -0.036   0.472  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.851   1.072   0.811  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.315   1.748   0.645  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.071  -0.798  -0.409  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.860   2.077   0.362  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.932   3.199   0.826  1.00  0.00           O  
HETATM   21  N   UNL     1       3.464   0.763   0.265  1.00  0.00           N  
HETATM   22  O   UNL     1       4.290   0.871  -1.727  1.00  0.00           O  
HETATM   23  C   UNL     1       5.432  -0.692  -0.135  1.00  0.00           C  
HETATM   24  S   UNL     1       5.586  -1.433   1.453  1.00  0.00           S  
HETATM   25  C   UNL     1       6.978  -2.365   0.920  1.00  0.00           C  
HETATM   26  C   UNL     1       7.245  -2.094  -0.362  1.00  0.00           C  
HETATM   27  H   UNL     1       0.389   0.693  -0.407  1.00  0.00           H  
HETATM   28  H   UNL     1       1.416   3.323  -0.500  1.00  0.00           H  
HETATM   29  H   UNL     1       1.700   2.667   1.130  1.00  0.00           H  
HETATM   30  H   UNL     1       2.867   2.326  -2.484  1.00  0.00           H  
HETATM   31  H   UNL     1       6.514  -0.863  -1.982  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.909  -2.769  -0.880  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.660  -4.116   0.246  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.718  -3.177   1.428  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.345  -2.634   0.954  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.046  -0.433  -0.611  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.739  -1.721  -1.338  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.392  -1.613  -2.497  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.054  -3.203  -2.046  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.323   1.944   1.239  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.406   2.743   1.056  1.00  0.00           H  
HETATM   42  H   UNL     1       7.533  -3.057   1.536  1.00  0.00           H  
HETATM   43  H   UNL     1       8.062  -2.558  -0.893  1.00  0.00           H  
CONECT    1   19    2   27                                            
CONECT    2    3    1   28   29                                       
CONECT    3    4    4   21    2                                       
CONECT    4   22    3    3   30                                       
CONECT    5   22   23   21   21                                       
CONECT    6   26   23   23   31                                       
CONECT    7   19   12   12   17                                       
CONECT    8   17   17   11   16                                       
CONECT    9   10   14   13   32                                       
CONECT   10    9   33   34   35                                       
CONECT   11   18   18    8   14                                       
CONECT   12    7    7   18   36                                       
CONECT   13    9   37   38   39                                       
CONECT   14   11    9   15                                            
CONECT   15   14   16   16                                            
CONECT   16    8   15   15   40                                       
CONECT   17    7    8    8   41                                       
CONECT   18   12   11   11                                            
CONECT   19   20   20    7    1                                       
CONECT   20   19   19                                                 
CONECT   21    5    5    3                                            
CONECT   22    4    5                                                 
CONECT   23    6    6    5   24                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   24   42                                       
CONECT   26    6   25   25   43                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
