COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.376   0.861   3.271  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.006   0.411   3.472  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.312  -0.740   2.512  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.139  -0.269   1.091  1.00  0.00           C  
HETATM    5  C   UNL     1       1.091  -0.385   0.471  1.00  0.00           C  
HETATM    6  C   UNL     1       1.252   0.046  -0.831  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.212   0.272   0.408  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.054   0.710  -0.892  1.00  0.00           C  
HETATM    9  C   UNL     1       0.178   0.595  -1.517  1.00  0.00           C  
HETATM   10  O   UNL     1       0.335   1.020  -2.798  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.180  -0.059   4.893  1.00  0.00           C  
HETATM   12  O   UNL     1       0.755  -0.538   5.489  1.00  0.00           O  
HETATM   13  S   UNL     1       0.017  -0.166  -3.697  1.00  0.00           S  
HETATM   14  O   UNL     1       0.673   0.096  -4.930  1.00  0.00           O  
HETATM   15  O   UNL     1       0.210  -1.322  -2.893  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.472  -0.119  -4.002  1.00  0.00           O  
HETATM   17  OXT UNL     1      -1.373   0.051   5.496  1.00  0.00           O  
HETATM   18  H1  UNL     1       1.474   1.068   2.288  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.970   0.068   3.461  1.00  0.00           H  
HETATM   20  HA  UNL     1      -0.690   1.237   3.277  1.00  0.00           H  
HETATM   21  H   UNL     1       0.370  -1.567   2.707  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.339  -1.074   2.661  1.00  0.00           H  
HETATM   23  H   UNL     1       1.926  -0.812   1.005  1.00  0.00           H  
HETATM   24  H   UNL     1       2.214  -0.043  -1.314  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.172   0.361   0.894  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.891   1.137  -1.424  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.664  -0.876  -4.573  1.00  0.00           H  
HETATM   28  HXT UNL     1      -1.485  -0.250   6.408  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    1    3   11   20                                       
CONECT    3    2    4   21   22                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   23                                       
CONECT    6    5    9    9   24                                       
CONECT    7    4    8    8   25                                       
CONECT    8    7    7    9   26                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   13                                                 
CONECT   11    2   12   12   17                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   27                                                 
CONECT   17   11   28                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
