COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.112   0.412  -0.081  1.00  0.00           O  
HETATM    2  C   UNL     1       4.082   0.944   0.285  1.00  0.00           C  
HETATM    3  C   UNL     1       2.854   0.292   0.101  1.00  0.00           C  
HETATM    4  C   UNL     1       2.812  -1.066  -0.549  1.00  0.00           C  
HETATM    5  O   UNL     1       3.642  -1.971   0.182  1.00  0.00           O  
HETATM    6  C   UNL     1       1.706   0.885   0.509  1.00  0.00           C  
HETATM    7  N   UNL     1       0.506   0.287   0.264  1.00  0.00           N  
HETATM    8  CA  UNL     1      -0.739   0.963   0.634  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.147   1.905  -0.469  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.723   1.743  -1.589  1.00  0.00           O  
HETATM   11  OXT UNL     1      -1.980   2.925  -0.208  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.840  -0.077   0.849  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.427  -1.033   1.970  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.141   0.630   1.236  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.094  -1.014  -0.683  1.00  0.00           S  
HETATM   16  O   UNL     1      -3.278  -1.909  -0.345  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.031  -1.941  -0.852  1.00  0.00           O  
HETATM   18  H   UNL     1       4.113   1.915   0.755  1.00  0.00           H  
HETATM   19  H   UNL     1       1.786  -1.436  -0.552  1.00  0.00           H  
HETATM   20  H   UNL     1       3.173  -0.989  -1.575  1.00  0.00           H  
HETATM   21  H   UNL     1       3.662  -2.867  -0.181  1.00  0.00           H  
HETATM   22  H   UNL     1       1.741   1.831   1.029  1.00  0.00           H  
HETATM   23  HA  UNL     1      -0.587   1.527   1.555  1.00  0.00           H  
HETATM   24  HXT UNL     1      -2.213   3.502  -0.948  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.275  -0.470   2.891  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.211  -1.774   2.123  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.500  -1.537   1.694  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.436   1.311   0.438  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.926  -0.111   1.389  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.989   1.193   2.157  1.00  0.00           H  
HETATM   31  H   UNL     1       0.477  -0.587  -0.156  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.552  -2.489  -1.068  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   18                                       
CONECT    3    4    6    6    2                                       
CONECT    4    3    5   19   20                                       
CONECT    5    4   21                                                 
CONECT    6    7    3    3   22                                       
CONECT    7    8    6   31                                            
CONECT    8    9   12    7   23                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11    9   24                                                 
CONECT   12   13   15    8   14                                       
CONECT   13   12   25   26   27                                       
CONECT   14   12   28   29   30                                       
CONECT   15   17   17   12   16                                       
CONECT   16   15   32                                                 
CONECT   17   15   15                                                 
CONECT   18    2                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31    7                                                      
CONECT   32   16                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
