PDB Code: A70
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
RESIDUE A70 123
CONECT C1 4 C2 1H1 2H1 3H1
CONECT C2 4 C1 C3 1H2 2H2
CONECT C3 4 C2 C4 1H3 2H3
CONECT O4 1 C36
CONECT O5 2 C35 HO5
CONECT N6 3 C27 C32 HN6
CONECT C7 4 C30 C32 1H7 2H7
CONECT C8 3 N2 N3 O1
CONECT C9 4 C10 N4 1H9 2H9
CONECT C10 4 C9 N3 1H10 2H10
CONECT C11 4 N3 C15 1H11 2H11
CONECT C12 4 C13 1H12 2H12 3H12
CONECT C13 4 C12 C14 C33 H13
CONECT C14 4 C13 1H14 2H14 3H14
CONECT C15 4 C11 N4 1H15 2H15
CONECT C16 4 N4 1H16 2H16 3H16
CONECT C19 4 C18 N5 1H19 2H19
CONECT C20 3 C17 N5 O3
CONECT C21 4 C17 C42 1H21 2H21
CONECT C22 4 C23 C26 1H22 2H22
CONECT C24 4 C23 C27 N5 H24
CONECT C27 3 C24 N6 O2
CONECT C30 4 C7 C29 C31 H30
CONECT C31 4 C5 C30 1H31 2H31
CONECT C32 4 C7 C35 N6 H32
CONECT C33 4 C13 C34 C36 H33
CONECT C34 4 C33 C35 1H34 2H34
CONECT C35 4 C32 C34 O5 H35
CONECT O1 1 C8
CONECT N3 3 C8 C10 C11
CONECT N4 3 C9 C15 C16
CONECT C17 4 C20 C21 N2 H17
CONECT N2 3 C8 C17 C18
CONECT C18 4 C19 N2 1H18 2H18
CONECT N5 3 C19 C20 C24
CONECT O3 1 C20
CONECT C23 4 C22 C24 1H23 2H23
CONECT C25 4 C26 1H25 2H25 3H25
CONECT C26 4 C22 C25 1H26 2H26
CONECT O2 1 C27
CONECT C28 4 C6 C29 1H28 2H28
CONECT C29 4 C28 C30 1H29 2H29
CONECT C5 4 C6 C31 1H5 2H5
CONECT C6 4 C5 C28 1H6 2H6
CONECT C36 3 C33 N1 O4
CONECT N1 3 C4 C36 HN1
CONECT C4 4 C3 N1 1H4 2H4
CONECT C37 3 C38 C42 H37
CONECT C38 3 C37 C39 H38
CONECT C39 3 C38 C40 H39
CONECT C40 3 C39 C41 H40
CONECT C41 3 C40 C42 H41
CONECT C42 3 C21 C37 C41
CONECT HN6 1 N6
CONECT HO5 1 O5
CONECT HN1 1 N1
CONECT 1H1 1 C1
CONECT 2H1 1 C1
CONECT 3H1 1 C1
CONECT 1H2 1 C2
CONECT 2H2 1 C2
CONECT 1H3 1 C3
CONECT 2H3 1 C3
CONECT 1H7 1 C7
CONECT 2H7 1 C7
CONECT 1H9 1 C9
CONECT 2H9 1 C9
CONECT 1H10 1 C10
CONECT 2H10 1 C10
CONECT 1H11 1 C11
CONECT 2H11 1 C11
CONECT 1H12 1 C12
CONECT 2H12 1 C12
CONECT 3H12 1 C12
CONECT H13 1 C13
CONECT 1H14 1 C14
CONECT 2H14 1 C14
CONECT 3H14 1 C14
CONECT 1H15 1 C15
CONECT 2H15 1 C15
CONECT 1H16 1 C16
CONECT 2H16 1 C16
CONECT 3H16 1 C16
CONECT 1H19 1 C19
CONECT 2H19 1 C19
CONECT 1H21 1 C21
CONECT 2H21 1 C21
CONECT 1H22 1 C22
CONECT 2H22 1 C22
CONECT H24 1 C24
CONECT H30 1 C30
CONECT 1H31 1 C31
CONECT 2H31 1 C31
CONECT H32 1 C32
CONECT H33 1 C33
CONECT 1H34 1 C34
CONECT 2H34 1 C34
CONECT H35 1 C35
CONECT H17 1 C17
CONECT 1H18 1 C18
CONECT 2H18 1 C18
CONECT 1H23 1 C23
CONECT 2H23 1 C23
CONECT 1H25 1 C25
CONECT 2H25 1 C25
CONECT 3H25 1 C25
CONECT 1H26 1 C26
CONECT 2H26 1 C26
CONECT 1H28 1 C28
CONECT 2H28 1 C28
CONECT 1H29 1 C29
CONECT 2H29 1 C29
CONECT 1H5 1 C5
CONECT 2H5 1 C5
CONECT 1H6 1 C6
CONECT 2H6 1 C6
CONECT 1H4 1 C4
CONECT 2H4 1 C4
CONECT H37 1 C37
CONECT H38 1 C38
CONECT H39 1 C39
CONECT H40 1 C40
CONECT H41 1 C41
END
HET A70 123
HETNAM SO4 SULFATE ION
HETNAM A70 (2S)-2-[(3R)-3-BENZYL-4-N-(4-METHYLPIPERAZIN-1-YL-
HETNAM 2 A70 CARBONYL)2-KETOPIPERAZIN-1-YL]-HEXANOIC ACID AMIDE
HETNAM 3 A70 OF (2R,4S,5S)-5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISO-
HETNAM 4 A70 PROPYLHEXANOYL N-(N-AMIDE) HYDROCHLORIDE
HETSYN A70 A70450
FORMUL A70 C42 H70 N6 O5