COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.408   0.513  -0.064  1.00  0.00           C  
HETATM    2  C   UNL     1       2.695   1.009  -0.093  1.00  0.00           C  
HETATM    3  C   UNL     1       3.774   0.142  -0.091  1.00  0.00           C  
HETATM    4  S   UNL     1       5.415   0.783  -0.128  1.00  0.00           S  
HETATM    5  O   UNL     1       6.235  -0.246  -0.664  1.00  0.00           O  
HETATM    6  O   UNL     1       5.326   2.082  -0.698  1.00  0.00           O  
HETATM    7  N   UNL     1       5.894   0.994   1.443  1.00  0.00           N  
HETATM    8  C   UNL     1       3.568  -1.225  -0.059  1.00  0.00           C  
HETATM    9  C   UNL     1       2.285  -1.732  -0.030  1.00  0.00           C  
HETATM   10  C   UNL     1       1.196  -0.864  -0.027  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.187  -1.403   0.005  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.282  -0.541   0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.556  -1.103   0.034  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.408  -2.783   0.032  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.624  -3.281   0.061  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.700  -2.503   0.066  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.048  -2.772   0.091  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.765  -1.609   0.077  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.920  -0.551   0.041  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.295   0.883   0.017  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.241   1.354  -0.899  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.558   2.701  -0.881  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.934   3.531   0.033  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.045   3.058   0.885  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.715   1.783   0.909  1.00  0.00           C  
HETATM   26  H   UNL     1       0.567   1.190  -0.066  1.00  0.00           H  
HETATM   27  H   UNL     1       2.862   2.076  -0.117  1.00  0.00           H  
HETATM   28  H   UNL     1       5.291   0.769   2.168  1.00  0.00           H  
HETATM   29  H   UNL     1       6.779   1.342   1.637  1.00  0.00           H  
HETATM   30  H   UNL     1       4.414  -1.897  -0.062  1.00  0.00           H  
HETATM   31  H   UNL     1       2.126  -2.800  -0.005  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.146   0.530  -0.022  1.00  0.00           H  
HETATM   33  H   UNL     1       0.438  -3.454   0.030  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.435  -3.661   0.116  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.843  -1.544   0.090  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.713   0.683  -1.602  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.284   3.100  -1.574  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.178   4.583   0.049  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.986   1.432   1.625  1.00  0.00           H  
CONECT    1   10   10    2   26                                       
CONECT    2    3    3    1   27                                       
CONECT    3    8    4    2    2                                       
CONECT    4    6    6    7    3                                       
CONECT    4    5    5                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4   28   29                                            
CONECT    8    9    9    3   30                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9   11    1    1                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   32                                       
CONECT   13   12   19   16   16                                       
CONECT   14   11   15   15   33                                       
CONECT   15   14   14   16                                            
CONECT   16   13   13   15   17                                       
CONECT   17   18   16   34                                            
CONECT   18   19   19   17   35                                       
CONECT   19   20   13   18   18                                       
CONECT   20   21   19   25   25                                       
CONECT   21   22   22   20   36                                       
CONECT   22   21   21   23   37                                       
CONECT   23   22   24   24   38                                       
CONECT   24   23   23   25                                            
CONECT   25   20   20   24   39                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
