RESIDUE   A1E18     45
CONECT      C12    4 C11  C13  H1   H2  
CONECT      C11    4 C12  C07  O21  H3  
CONECT      C02    3 C03  C25  O01 
CONECT      C03    3 C02  C04  O26 
CONECT      C04    3 C03  C05  C23 
CONECT      C05    3 C04  N06  O22 
CONECT      C07    4 C11  C08  N06  H4  
CONECT      C08    3 C07  O10  O1  
CONECT      C13    3 C12  C14  C18 
CONECT      C14    3 C13  C15  H6  
CONECT      C15    3 C14  C16  H7  
CONECT      C16    3 C15  C17  O19 
CONECT      C17    3 C16  C18  H8  
CONECT      C18    3 C13  C17  H9  
CONECT      C20    4 O19  H10  H11  H12 
CONECT      C23    3 C04  C24  H13 
CONECT      C24    3 C23  C25  H14 
CONECT      C25    3 C02  C24  H15 
CONECT      N06    3 C05  C07  H16 
CONECT      O01    2 C02  H17 
CONECT      O10    1 C08 
CONECT      O19    2 C16  C20 
CONECT      O21    2 C11  H18 
CONECT      O22    1 C05 
CONECT      O26    2 C03  H19 
CONECT      H1     1 C12 
CONECT      H2     1 C12 
CONECT      H3     1 C11 
CONECT      H4     1 C07 
CONECT      H6     1 C14 
CONECT      H7     1 C15 
CONECT      H8     1 C17 
CONECT      H9     1 C18 
CONECT      H10    1 C20 
CONECT      H11    1 C20 
CONECT      H12    1 C20 
CONECT      H13    1 C23 
CONECT      H14    1 C24 
CONECT      H15    1 C25 
CONECT      H16    1 N06 
CONECT      H17    1 O01 
CONECT      H18    1 O21 
CONECT      H19    1 O26 
CONECT      O1     2 C08  H5  
CONECT      H5     1 O1  
END   
HET    A1E18             45
HETNAM     A1E18 (2~{S},3~{R})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino
HETNAM   2 A1E18 ]-4-(4-methoxyphenyl)-3-oxidanyl-butanoic acid
FORMUL      A1E18    C18 H19 N O7