COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.911  -0.704   0.975  1.00  0.00           O  
HETATM    2  C   UNL     1       3.276  -0.207   0.076  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.717   0.913  -0.518  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.991  -0.847  -0.383  1.00  0.00           C  
HETATM    5  N   UNL     1       1.965  -2.253   0.043  1.00  0.00           N  
HETATM    6  C   UNL     1       0.803  -0.106   0.233  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.452  -0.779  -0.133  1.00  0.00           N  
HETATM    8  S   UNL     1       0.719   1.590  -0.429  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.816   2.194   0.338  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.882   1.144   0.213  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.314   1.600   0.325  1.00  0.00           C  
HETATM   12  CA  UNL     1      -1.675  -0.139   0.017  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.876  -0.993  -0.054  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.972  -0.519   0.171  1.00  0.00           O  
HETATM   15  OXT UNL     1      -2.757  -2.298  -0.369  1.00  0.00           O  
HETATM   16  HXT UNL     1       4.548   1.285  -0.192  1.00  0.00           H  
HETATM   17  HA  UNL     1       1.928  -0.796  -1.470  1.00  0.00           H  
HETATM   18  H1  UNL     1       2.703  -2.779  -0.401  1.00  0.00           H  
HETATM   19  H2  UNL     1       2.023  -2.327   1.048  1.00  0.00           H  
HETATM   20  H   UNL     1       0.906  -0.076   1.318  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.425  -1.683  -0.485  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.636   2.407   1.391  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.141   3.104  -0.167  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.340   2.678   0.486  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.845   1.358  -0.596  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.792   1.095   1.164  1.00  0.00           H  
HETATM   27  HXT UNL     1      -3.572  -2.817  -0.404  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   16                                                 
CONECT    4    6    2    5   17                                       
CONECT    5    4   18   19                                            
CONECT    6    7    8    4   20                                       
CONECT    7   12    6   21                                            
CONECT    8    9    6                                                 
CONECT    9   10    8   22   23                                       
CONECT   10   11    9   12   12                                       
CONECT   11   10   24   25   26                                       
CONECT   12   10   10   13    7                                       
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   13   27                                                 
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
