COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.474   0.367   0.020  1.00  0.00           C  
HETATM    2  C   UNL     1       3.922   0.377  -0.480  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.376   1.535  -0.825  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.193   0.970  -0.380  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.901  -0.290  -0.434  1.00  0.00           N  
HETATM    6  CA  UNL     1      -1.707  -0.655   0.044  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.252  -2.053   0.047  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.159  -2.336   0.497  1.00  0.00           O  
HETATM    9  OXT UNL     1      -2.047  -3.022  -0.450  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.952   0.355   0.529  1.00  0.00           C  
HETATM   11  C   UNL     1       0.426   0.221   1.124  1.00  0.00           C  
HETATM   12  C   UNL     1       2.874   0.230   0.624  1.00  0.00           C  
HETATM   13  C   UNL     1       5.321   0.240   0.124  1.00  0.00           C  
HETATM   14  C   UNL     1       6.370   0.387  -0.981  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.854   1.857   0.341  1.00  0.00           S  
HETATM   16  H   UNL     1       1.324  -0.411  -0.729  1.00  0.00           H  
HETATM   17  H   UNL     1       1.375   1.346  -0.448  1.00  0.00           H  
HETATM   18  H   UNL     1       3.772  -0.401  -1.229  1.00  0.00           H  
HETATM   19  H   UNL     1       3.822   1.356  -0.949  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.064   0.974  -1.215  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.516   2.491  -0.747  1.00  0.00           H  
HETATM   22  HXT UNL     1      -1.705  -3.926  -0.427  1.00  0.00           H  
HETATM   23  H   UNL     1       0.525  -0.759   1.593  1.00  0.00           H  
HETATM   24  H   UNL     1       0.576   0.998   1.873  1.00  0.00           H  
HETATM   25  H   UNL     1       3.023   1.008   1.373  1.00  0.00           H  
HETATM   26  H   UNL     1       2.973  -0.749   1.092  1.00  0.00           H  
HETATM   27  H   UNL     1       5.471   1.018   0.873  1.00  0.00           H  
HETATM   28  H   UNL     1       5.421  -0.739   0.592  1.00  0.00           H  
HETATM   29  H   UNL     1       6.270   1.366  -1.449  1.00  0.00           H  
HETATM   30  H   UNL     1       7.367   0.289  -0.550  1.00  0.00           H  
HETATM   31  H   UNL     1       6.220  -0.391  -1.730  1.00  0.00           H  
CONECT    1   11   12   16   17                                       
CONECT    2   12   13   18   19                                       
CONECT    3    4   20   21                                            
CONECT    4    5    5   15    3                                       
CONECT    5    6    4    4                                            
CONECT    6    7   10   10    5                                       
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9    7   22                                                 
CONECT   10   11    6    6   15                                       
CONECT   11   10    1   23   24                                       
CONECT   12    1    2   25   26                                       
CONECT   13    2   14   27   28                                       
CONECT   14   13   29   30   31                                       
CONECT   15   10    4                                                 
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    9                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
