RESIDUE   A1JIG     46
CONECT      N1     2 N2   N   
CONECT      C4     4 C15  N    C3   H2  
CONECT      C5     3 C6   N2   C12 
CONECT      C6     3 C5   C7   C9  
CONECT      C7     3 C6   C8   H10 
CONECT      C8     3 C7   C11  F   
CONECT      C10    3 C11  F1   C9  
CONECT      C13    4 C15  C14  O2   H3  
CONECT      C15    4 C4   C13  O4   H4  
CONECT      F2     1 C11 
CONECT      C11    3 C8   C10  F2  
CONECT      F      1 C8  
CONECT      F1     1 C10 
CONECT      C9     3 C6   C10  H11 
CONECT      N2     2 N1   C5  
CONECT      C12    3 C5   N    H12 
CONECT      N      3 N1   C4   C12 
CONECT      C3     4 C4   O1   C2   H1  
CONECT      O1     2 C3   H13 
CONECT      O4     2 C15  H17 
CONECT      C14    4 C13  O3   H14  H15 
CONECT      O3     2 C14  H16 
CONECT      O2     2 C13  C2  
CONECT      C2     4 C3   O2   S    H   
CONECT      S      2 C2   C1  
CONECT      C1     4 S    C    H8   H9  
CONECT      C      4 C1   O    H6   H7  
CONECT      O      2 C    H5  
CONECT      H2     1 C4  
CONECT      H10    1 C7  
CONECT      H3     1 C13 
CONECT      H4     1 C15 
CONECT      H11    1 C9  
CONECT      H12    1 C12 
CONECT      H1     1 C3  
CONECT      H13    1 O1  
CONECT      H17    1 O4  
CONECT      H14    1 C14 
CONECT      H15    1 C14 
CONECT      H16    1 O3  
CONECT      H      1 C2  
CONECT      H8     1 C1  
CONECT      H9     1 C1  
CONECT      H6     1 C   
CONECT      H7     1 C   
CONECT      H5     1 O   
END   
HET    A1JIG             46
HETNAM     A1JIG (2~{S},3~{R},4~{S},5~{R},6~{R})-2-(2-hydroxyethylsulfan
HETNAM   2 A1JIG yl)-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl
HETNAM   3 A1JIG ]-1,2,3-triazol-1-yl]oxane-3,5-diol
FORMUL      A1JIG    C16 H18 F3 N3 O5 S