RESIDUE   A1IUP     52
CONECT      C4     4 C5   N3   H3   H2  
CONECT      C5     4 C4   C6   H5   H4  
CONECT      C6     4 C5   C7   H7   H6  
CONECT      C7     4 C6   O7   H9   H8  
CONECT      C8     3 C9   O7   C13 
CONECT      C9     3 C8   C10  H10 
CONECT      N3     3 C4   C    H11 
CONECT      O7     2 C7   C8  
CONECT      C13    3 C8   C12  H12 
CONECT      C10    3 C9   C11  H13 
CONECT      C11    3 C10  C12  H14 
CONECT      C12    3 C13  C11  C14 
CONECT      C14    4 C12  N15  H15  H16 
CONECT      N15    3 C14  C16  H17 
CONECT      C16    3 N15  O17  C18 
CONECT      O17    1 C16 
CONECT      C18    3 C16  C19  C23 
CONECT      C19    3 C18  C20  H18 
CONECT      C20    3 C19  C21  H19 
CONECT      C21    3 C20  S24  C22 
CONECT      S24    4 C21  O27  O25  N26 
CONECT      O27    1 S24 
CONECT      O25    1 S24 
CONECT      N26    3 S24  H21  H20 
CONECT      C22    3 C21  C23  H22 
CONECT      C23    3 C18  C22  H23 
CONECT      C      3 N3   O    OXT 
CONECT      O      1 C   
CONECT      H3     1 C4  
CONECT      H2     1 C4  
CONECT      H5     1 C5  
CONECT      H4     1 C5  
CONECT      H7     1 C6  
CONECT      H6     1 C6  
CONECT      H9     1 C7  
CONECT      H8     1 C7  
CONECT      H10    1 C9  
CONECT      H11    1 N3  
CONECT      H12    1 C13 
CONECT      H13    1 C10 
CONECT      H14    1 C11 
CONECT      H15    1 C14 
CONECT      H16    1 C14 
CONECT      H17    1 N15 
CONECT      H18    1 C19 
CONECT      H19    1 C20 
CONECT      H21    1 N26 
CONECT      H20    1 N26 
CONECT      H22    1 C22 
CONECT      H23    1 C23 
CONECT      OXT    2 C    H1  
CONECT      H1     1 OXT 
END   
HET    A1IUP             52
HETNAM     A1IUP 4-[3-[[(4-sulfamoylphenyl)carbonylamino]methyl]phenoxy]
HETNAM   2 A1IUP butylcarbamic acid
FORMUL      A1IUP    C19 H23 N3 O6 S