RESIDUE   XES     41
CONECT      C02    3 C03  C15  O01 
CONECT      C03    4 C02  C04  C07  H1  
CONECT      C04    4 C03  C05  H2   H3  
CONECT      C05    4 C04  C06  H4   H5  
CONECT      C06    4 C05  C07  H6   H7  
CONECT      C07    4 C03  C06  C08  H8  
CONECT      C08    4 C07  C09  C12  H9  
CONECT      C09    3 C08  O10  O11 
CONECT      C12    3 C08  O13  O14 
CONECT      C15    3 C02  C16  C18 
CONECT      C16    3 C15  C17  H10 
CONECT      C17    3 C16  C20  H11 
CONECT      C18    3 C15  C19  H12 
CONECT      C19    3 C18  C20  H13 
CONECT      C20    3 C17  C19  C21 
CONECT      C21    3 C20  N22  N25 
CONECT      N22    3 C21  N23  H14 
CONECT      N23    2 N22  N24 
CONECT      N24    2 N23  N25 
CONECT      N25    2 C21  N24 
CONECT      O01    1 C02 
CONECT      O10    2 C09  H15 
CONECT      O11    1 C09 
CONECT      O13    1 C12 
CONECT      O14    2 C12  H16 
CONECT      H1     1 C03 
CONECT      H2     1 C04 
CONECT      H3     1 C04 
CONECT      H4     1 C05 
CONECT      H5     1 C05 
CONECT      H6     1 C06 
CONECT      H7     1 C06 
CONECT      H8     1 C07 
CONECT      H9     1 C08 
CONECT      H10    1 C16 
CONECT      H11    1 C17 
CONECT      H12    1 C18 
CONECT      H13    1 C19 
CONECT      H14    1 N22 
CONECT      H15    1 O10 
CONECT      H16    1 O14 
END   
HET    XES             41
HETNAM     XES {(1R,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cycl
HETNAM   2 XES opentyl}propanedioic acid
FORMUL      XES    C16 H16 N4 O5