PDB Code: A88
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
RESIDUE A88 80
CONECT N1 3 N2 C7 C8
CONECT N2 3 N1 C3 C32
CONECT C3 3 N2 N4 O3
CONECT O3 1 C3
CONECT N4 3 C3 C5 C22
CONECT C5 4 N4 C6 C15 H5
CONECT C6 4 C5 C7 O6 H6
CONECT O6 2 C6 HO6
CONECT C7 4 N1 C6 1H7 2H7
CONECT C8 4 N1 C9 1H8 2H8
CONECT C9 3 C8 C10 C14
CONECT C10 3 C9 C11 H10
CONECT C11 3 C10 C12 H11
CONECT C12 3 C11 C13 H12
CONECT C13 3 C12 C14 H13
CONECT C14 3 C9 C13 H14
CONECT C15 4 C5 C16 1H15 2H15
CONECT C16 3 C15 C17 C21
CONECT C17 3 C16 C18 H17
CONECT C18 3 C17 C19 H18
CONECT C19 3 C18 C20 H19
CONECT C20 3 C19 C21 H20
CONECT C21 3 C16 C20 H21
CONECT C22 4 N4 C23 1H22 2H22
CONECT C23 3 C22 C24 C28
CONECT C24 3 C23 C25 H24
CONECT C25 3 C24 C26 O30
CONECT C26 3 C25 C27 O29
CONECT C27 3 C26 C28 H27
CONECT C28 3 C23 C27 H28
CONECT O29 2 C26 HO9
CONECT O30 2 C25 C31
CONECT C31 4 O30 1H31 2H31 3H31
CONECT C32 4 N2 C33 1H32 2H32
CONECT C33 3 C32 C34 C38
CONECT C34 3 C33 C35 H34
CONECT C35 3 C34 C36 H35
CONECT C36 3 C35 C37 O39
CONECT C37 3 C36 C38 O40
CONECT C38 3 C33 C37 H38
CONECT O39 2 C36 HO3
CONECT O40 2 C37 C41
CONECT C41 4 O40 1H41 2H41 3H41
CONECT H5 1 C5
CONECT H6 1 C6
CONECT HO6 1 O6
CONECT 1H7 1 C7
CONECT 2H7 1 C7
CONECT 1H8 1 C8
CONECT 2H8 1 C8
CONECT H10 1 C10
CONECT H11 1 C11
CONECT H12 1 C12
CONECT H13 1 C13
CONECT H14 1 C14
CONECT 1H15 1 C15
CONECT 2H15 1 C15
CONECT H17 1 C17
CONECT H18 1 C18
CONECT H19 1 C19
CONECT H20 1 C20
CONECT H21 1 C21
CONECT 1H22 1 C22
CONECT 2H22 1 C22
CONECT H24 1 C24
CONECT H27 1 C27
CONECT H28 1 C28
CONECT HO9 1 O29
CONECT 1H31 1 C31
CONECT 2H31 1 C31
CONECT 3H31 1 C31
CONECT 1H32 1 C32
CONECT 2H32 1 C32
CONECT H34 1 C34
CONECT H35 1 C35
CONECT H38 1 C38
CONECT HO3 1 O39
CONECT 1H41 1 C41
CONECT 2H41 1 C41
CONECT 3H41 1 C41
END
HET A88 80
HETNAM A88 (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-
HETNAM 2 A88 DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE
HETSYN A88 A-98881
FORMUL A88 C34 H37 N3 O6