RESIDUE   JJE     53
CONECT      C7     4 C8   F5   F6   F4  
CONECT      C8     4 C7   O14  C3   H1  
CONECT      C13    3 C16  C12  H2  
CONECT      C15    3 C1   C16  C9  
CONECT      C20    3 C21  C19  H3  
CONECT      C21    3 C20  C22  H4  
CONECT      C22    3 C21  C23  H5  
CONECT      CL     1 C23 
CONECT      C23    3 C22  CL   C18 
CONECT      C19    3 C20  F25  C18 
CONECT      F25    1 C19 
CONECT      C18    3 C23  C19  N17 
CONECT      N17    3 C18  C1   H6  
CONECT      C1     3 C15  N17  O2  
CONECT      O2     1 C1  
CONECT      C16    3 C13  C15  O14 
CONECT      O14    2 C8   C16 
CONECT      C3     4 C8   H7   H8   H9  
CONECT      F5     1 C7  
CONECT      F6     1 C7  
CONECT      F4     1 C7  
CONECT      C9     3 C15  C11  H10 
CONECT      C11    3 C9   F10  C12 
CONECT      F10    1 C11 
CONECT      C12    3 C13  C11  N26 
CONECT      N26    3 C12  N30  C27 
CONECT      N30    2 N26  C29 
CONECT      C27    3 N26  O31  N28 
CONECT      O31    1 C27 
CONECT      N28    3 C27  C32  C29 
CONECT      C32    4 N28  C35  H11  H12 
CONECT      C35    4 C32  H13  H14  H15 
CONECT      C29    3 N30  N28  C34 
CONECT      C34    4 C29  O33  H16  H17 
CONECT      O33    2 C34  H18 
CONECT      H1     1 C8  
CONECT      H2     1 C13 
CONECT      H3     1 C20 
CONECT      H4     1 C21 
CONECT      H5     1 C22 
CONECT      H6     1 N17 
CONECT      H7     1 C3  
CONECT      H8     1 C3  
CONECT      H9     1 C3  
CONECT      H10    1 C9  
CONECT      H11    1 C32 
CONECT      H12    1 C32 
CONECT      H13    1 C35 
CONECT      H14    1 C35 
CONECT      H15    1 C35 
CONECT      H16    1 C34 
CONECT      H17    1 C34 
CONECT      H18    1 O33 
END   
HET    JJE             53
HETSYN     JJE BAY 2402234
HETNAM     JJE ~{N}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hyd
HETNAM   2 JJE roxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluor
HETNAM   3 JJE anyl-2-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-be
HETNAM   4 JJE nzamide
FORMUL      JJE    C21 H18 Cl1 F5 N4 O4