RESIDUE   K2U     42
CONECT      O22    2 C1   H1  
CONECT      C1     3 O22  O21  C2  
CONECT      O21    1 C1  
CONECT      C2     4 C1   C3   H2   H3  
CONECT      C3     4 C2   C4   C11  H4  
CONECT      C4     4 C3   C5   H5   H6  
CONECT      C5     3 C4   C6   C10 
CONECT      C6     3 C5   C7   H7  
CONECT      C7     3 C6   C8   H8  
CONECT      C8     3 C7   C9   H9  
CONECT      C9     3 C8   C10  H10 
CONECT      C10    3 C5   C9   H11 
CONECT      C11    4 C3   O12  S13  H12 
CONECT      O12    2 C11  H13 
CONECT      S13    2 C11  C14 
CONECT      C14    4 S13  C15  H14  H15 
CONECT      C15    3 C14  C16  C20 
CONECT      C16    3 C15  C17  H16 
CONECT      C17    3 C16  C18  H17 
CONECT      C18    3 C17  C19  H18 
CONECT      C19    3 C18  C20  H19 
CONECT      C20    3 C15  C19  H20 
CONECT      H1     1 O22 
CONECT      H2     1 C2  
CONECT      H3     1 C2  
CONECT      H4     1 C3  
CONECT      H5     1 C4  
CONECT      H6     1 C4  
CONECT      H7     1 C6  
CONECT      H8     1 C7  
CONECT      H9     1 C8  
CONECT      H10    1 C9  
CONECT      H11    1 C10 
CONECT      H12    1 C11 
CONECT      H13    1 O12 
CONECT      H14    1 C14 
CONECT      H15    1 C14 
CONECT      H16    1 C16 
CONECT      H17    1 C17 
CONECT      H18    1 C18 
CONECT      H19    1 C19 
CONECT      H20    1 C20 
END   
HET    K2U             42
HETNAM     K2U (3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmeth
HETNAM   2 K2U ylsulfanyl)butanoic acid
FORMUL      K2U    C18 H20 O3 S1