COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.665   1.400   0.111  1.00  0.00           C  
HETATM    2  O   UNL     1      -9.909   1.053   0.723  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.619   0.333   0.443  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.287   0.704  -0.211  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.241  -0.363   0.121  1.00  0.00           C  
HETATM    6  S   UNL     1      -3.662   0.077  -0.655  1.00  0.00           S  
HETATM    7  C   UNL     1      -2.569  -1.283  -0.155  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.174  -1.057  -0.740  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.508   0.169  -0.079  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.252  -2.247  -0.402  1.00  0.00           C  
HETATM   11  O   UNL     1       0.264  -2.830  -1.600  1.00  0.00           O  
HETATM   12  C   UNL     1       0.894  -1.641   0.437  1.00  0.00           C  
HETATM   13  N   UNL     1       0.924  -0.205   0.047  1.00  0.00           N  
HETATM   14  C   UNL     1       1.593   0.605   1.074  1.00  0.00           C  
HETATM   15  C   UNL     1       3.066   0.290   1.082  1.00  0.00           C  
HETATM   16  C   UNL     1       3.706  -0.524   1.942  1.00  0.00           C  
HETATM   17  N   UNL     1       5.036  -0.565   1.641  1.00  0.00           N  
HETATM   18  C   UNL     1       5.292   0.239   0.554  1.00  0.00           C  
HETATM   19  C   UNL     1       4.069   0.805   0.155  1.00  0.00           C  
HETATM   20  N   UNL     1       4.047   1.634  -0.892  1.00  0.00           N  
HETATM   21  C   UNL     1       5.155   1.918  -1.540  1.00  0.00           C  
HETATM   22  N   UNL     1       6.325   1.408  -1.198  1.00  0.00           N  
HETATM   23  C   UNL     1       6.441   0.571  -0.172  1.00  0.00           C  
HETATM   24  N   UNL     1       7.674   0.044   0.176  1.00  0.00           N  
HETATM   25  H   UNL     1      -8.794   1.457  -0.969  1.00  0.00           H  
HETATM   26  H   UNL     1      -8.331   2.366   0.490  1.00  0.00           H  
HETATM   27  H   UNL     1     -10.620   1.687   0.554  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.490   0.275   1.524  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.953  -0.633   0.065  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.416   0.762  -1.292  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.953   1.670   0.167  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.112  -0.421   1.202  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.575  -1.329  -0.257  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.507  -1.318   0.932  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.970  -2.226  -0.527  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.234  -0.919  -1.819  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.617   1.049  -0.714  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.942   0.354   0.904  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.795  -2.993   0.179  1.00  0.00           H  
HETATM   40  H   UNL     1       0.851  -3.584  -1.449  1.00  0.00           H  
HETATM   41  H   UNL     1       0.680  -1.742   1.501  1.00  0.00           H  
HETATM   42  H   UNL     1       1.841  -2.122   0.191  1.00  0.00           H  
HETATM   43  H   UNL     1       1.449   1.663   0.853  1.00  0.00           H  
HETATM   44  H   UNL     1       1.167   0.377   2.051  1.00  0.00           H  
HETATM   45  H   UNL     1       3.236  -1.064   2.751  1.00  0.00           H  
HETATM   46  H   UNL     1       5.701  -1.084   2.120  1.00  0.00           H  
HETATM   47  H   UNL     1       5.108   2.594  -2.381  1.00  0.00           H  
HETATM   48  H   UNL     1       8.465   0.285  -0.332  1.00  0.00           H  
HETATM   49  H   UNL     1       7.747  -0.566   0.926  1.00  0.00           H  
CONECT    1    3    2   25   26                                       
CONECT    2    1   27                                                 
CONECT    3    4    1   28   29                                       
CONECT    4    5    3   30   31                                       
CONECT    5    6    4   32   33                                       
CONECT    6    7    5                                                 
CONECT    7    8    6   34   35                                       
CONECT    8   10    9    7   36                                       
CONECT    9   13    8   37   38                                       
CONECT   10   12   11    8   39                                       
CONECT   11   10   40                                                 
CONECT   12   13   10   41   42                                       
CONECT   13   12   14    9                                            
CONECT   14   15   13   43   44                                       
CONECT   15   19   14   16   16                                       
CONECT   16   15   15   17   45                                       
CONECT   17   18   16   46                                            
CONECT   18   23   23   19   17                                       
CONECT   19   20   20   18   15                                       
CONECT   20   21   19   19                                            
CONECT   21   22   22   20   47                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   18   18                                       
CONECT   24   23   48   49                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
