COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.273  -1.392  -0.191  1.00  0.00           C  
HETATM    2  C   UNL     1       4.211  -0.324  -0.134  1.00  0.00           C  
HETATM    3  S   UNL     1      -1.139  -2.320   0.015  1.00  0.00           S  
HETATM    4  C   UNL     1       0.504  -1.655   0.423  1.00  0.00           C  
HETATM    5  O   UNL     1       4.508   0.833  -0.315  1.00  0.00           O  
HETATM    6  C   UNL     1       0.571  -0.175   0.231  1.00  0.00           C  
HETATM    7  O   UNL     1       2.935  -0.658   0.115  1.00  0.00           O  
HETATM    8  CA  UNL     1      -0.431   0.691   0.207  1.00  0.00           C  
HETATM    9  O   UNL     1       1.107   2.551  -0.179  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.759   0.246   0.328  1.00  0.00           N  
HETATM   11  OXT UNL     1      -1.057   2.937   0.136  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.215  -1.082   0.814  1.00  0.00           C  
HETATM   13  CA  UNL     1      -3.515  -0.788   0.095  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.997   0.623   0.048  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.517   1.698  -0.165  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.152   2.130   0.054  1.00  0.00           C  
HETATM   17  C   UNL     1       1.949   0.405   0.042  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.629  -1.431  -1.221  1.00  0.00           N  
HETATM   19  H   UNL     1       4.836  -2.353   0.082  1.00  0.00           H  
HETATM   20  H   UNL     1       5.677  -1.450  -1.201  1.00  0.00           H  
HETATM   21  H   UNL     1       6.073  -1.146   0.507  1.00  0.00           H  
HETATM   22  H   UNL     1       0.733  -1.889   1.462  1.00  0.00           H  
HETATM   23  H   UNL     1       1.247  -2.128  -0.219  1.00  0.00           H  
HETATM   24  H   UNL     1       1.253   3.507  -0.199  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.284  -1.185   1.897  1.00  0.00           H  
HETATM   26  HA  UNL     1      -4.403  -0.915   0.713  1.00  0.00           H  
HETATM   27  H   UNL     1       2.009   0.890  -0.932  1.00  0.00           H  
HETATM   28  H   UNL     1       2.145   1.138   0.825  1.00  0.00           H  
HETATM   29  H1  UNL     1      -4.510  -1.206  -1.658  1.00  0.00           H  
HETATM   30  H2  UNL     1      -2.854  -1.178  -1.816  1.00  0.00           H  
CONECT    1    2   19   20   21                                       
CONECT    2    1    5    5    7                                       
CONECT    3    4   12                                                 
CONECT    4    3    6   22   23                                       
CONECT    5    2    2                                                 
CONECT    6    4   17    8    8                                       
CONECT    7    2   17                                                 
CONECT    8    6    6   16   10                                       
CONECT    9   16   24                                                 
CONECT   10    8   14   12                                            
CONECT   11   16   16                                                 
CONECT   12    3   10   13   25                                       
CONECT   13   12   14   18   26                                       
CONECT   14   10   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16    8    9   11   11                                       
CONECT   17    6    7   27   28                                       
CONECT   18   13   29   30                                            
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   17                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
