COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.432  -1.223  -0.131  1.00  0.00           C  
HETATM    2  S   UNL     1      -2.914  -2.842   0.331  1.00  0.00           S  
HETATM    3  C   UNL     1      -2.500  -0.086  -0.005  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.266  -0.282   0.458  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.908   1.203  -0.377  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.159   1.408  -0.854  1.00  0.00           O  
HETATM    7  N   UNL     1      -2.066   2.220  -0.262  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.842   2.016   0.205  1.00  0.00           C  
HETATM    9  O   UNL     1       0.019   3.056   0.323  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.436   0.732   0.570  1.00  0.00           C  
HETATM   11  C   UNL     1       0.959   0.505   1.095  1.00  0.00           C  
HETATM   12  C   UNL     1       1.898   0.194  -0.072  1.00  0.00           C  
HETATM   13  C   UNL     1       3.314  -0.036   0.461  1.00  0.00           C  
HETATM   14  N   UNL     1       4.214  -0.333  -0.657  1.00  0.00           N  
HETATM   15  C   UNL     1       5.546  -0.577  -0.421  1.00  0.00           C  
HETATM   16  N   UNL     1       6.346  -0.842  -1.414  1.00  0.00           N  
HETATM   17  N   UNL     1       6.034  -0.541   0.864  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.556  -1.042  -0.559  1.00  0.00           O  
HETATM   19  H   UNL     1      -4.091  -3.566   0.047  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.811   1.614  -0.170  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.021   3.504   1.179  1.00  0.00           H  
HETATM   22  H   UNL     1       1.303   1.402   1.610  1.00  0.00           H  
HETATM   23  H   UNL     1       0.954  -0.334   1.791  1.00  0.00           H  
HETATM   24  H   UNL     1       1.554  -0.703  -0.587  1.00  0.00           H  
HETATM   25  H   UNL     1       1.903   1.033  -0.768  1.00  0.00           H  
HETATM   26  H   UNL     1       3.659   0.861   0.975  1.00  0.00           H  
HETATM   27  H   UNL     1       3.309  -0.874   1.156  1.00  0.00           H  
HETATM   28  H   UNL     1       3.869  -0.359  -1.563  1.00  0.00           H  
HETATM   29  H   UNL     1       7.286  -1.014  -1.248  1.00  0.00           H  
HETATM   30  H   UNL     1       5.438  -0.344   1.604  1.00  0.00           H  
HETATM   31  H   UNL     1       6.974  -0.713   1.031  1.00  0.00           H  
CONECT    1    2    3   18   18                                       
CONECT    2    1   19                                                 
CONECT    3    1    4    4    5                                       
CONECT    4    3    3   10                                            
CONECT    5    3    6    7    7                                       
CONECT    6    5   20                                                 
CONECT    7    5    5    8                                            
CONECT    8    7    9   10   10                                       
CONECT    9    8   21                                                 
CONECT   10    4    8    8   11                                       
CONECT   11   10   12   22   23                                       
CONECT   12   11   13   24   25                                       
CONECT   13   12   14   26   27                                       
CONECT   14   13   15   28                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   29                                            
CONECT   17   15   30   31                                            
CONECT   18    1    1                                                 
CONECT   19    2                                                      
CONECT   20    6                                                      
CONECT   21    9                                                      
CONECT   22   11                                                      
CONECT   23   11                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
