LLX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N1	sing	1.40Å	1.41Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C2	C7	sing	1.40Å	1.40Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	doub	1.39Å	1.42Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C17	C5	sing	1.48Å	1.50Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	N8	sing	1.40Å	1.42Å
N8	C9	sing	1.35Å	1.36Å
N8	HN8	sing	0.97Å	1.00Å
O10	C9	doub	1.22Å	1.23Å
C9	C11	sing	1.48Å	1.49Å
C16	C11	doub	1.40Å	1.40Å	Aromatic
C11	C12	sing	1.40Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C14	C13	sing	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	C14	doub	1.38Å	1.40Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C16	C15	sing	1.38Å	1.39Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C22	C17	doub	1.39Å	1.41Å	Aromatic
C17	C18	sing	1.39Å	1.42Å	Aromatic
C19	C18	doub	1.38Å	1.38Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C21	C20	doub	1.38Å	1.39Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C21	C22	sing	1.38Å	1.39Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	HN1	109.5°	120.0°
C2	N1	HN1A	109.4°	120.0°
N1	C2	C3	120.9°	120.0°
N1	C2	C7	118.9°	120.0°
HN1	N1	HN1A	109.5°	120.0°
C3	C2	C7	120.2°	120.0°
C2	C3	C4	120.4°	120.1°
C2	C3	H3	119.8°	120.0°
C2	C7	C6	119.5°	120.0°
C2	C7	N8	119.4°	120.0°
C4	C3	H3	119.8°	119.9°
C3	C4	C5	119.7°	120.1°
C3	C4	H4	120.1°	119.9°
C5	C4	H4	120.1°	120.0°
C4	C5	C17	122.1°	120.0°
C4	C5	C6	119.2°	120.0°
C17	C5	C6	118.7°	120.0°
C5	C17	C22	121.2°	120.1°
C5	C17	C18	120.1°	120.1°
C5	C6	C7	121.0°	119.9°
C5	C6	H6	119.5°	120.1°
C7	C6	H6	119.5°	120.1°
C6	C7	N8	121.0°	120.0°
C7	N8	C9	125.7°	120.0°
C7	N8	HN8	117.2°	120.0°
C9	N8	HN8	117.2°	120.0°
N8	C9	O10	121.1°	120.0°
N8	C9	C11	118.7°	120.0°
O10	C9	C11	120.1°	120.0°
C9	C11	C16	120.7°	120.1°
C9	C11	C12	120.2°	120.2°
C16	C11	C12	119.2°	119.7°
C11	C16	C15	119.3°	119.9°
C11	C16	H16	120.4°	120.1°
C11	C12	C13	121.1°	119.9°
C11	C12	H12	119.4°	120.1°
C13	C12	H12	119.5°	120.0°
C12	C13	C14	119.3°	120.1°
C12	C13	H13	120.3°	119.9°
C14	C13	H13	120.3°	120.0°
C13	C14	C15	120.0°	120.3°
C13	C14	H14	120.0°	119.8°
C15	C14	H14	120.0°	119.9°
C14	C15	C16	121.1°	120.1°
C14	C15	H15	119.4°	119.9°
C16	C15	H15	119.5°	120.0°
C15	C16	H16	120.4°	120.0°
C22	C17	C18	118.6°	119.8°
C17	C22	C21	120.1°	119.9°
C17	C22	H22	119.9°	120.0°
C17	C18	C19	120.5°	119.8°
C17	C18	H18	119.7°	120.1°
C19	C18	H18	119.7°	120.1°
C18	C19	C20	120.3°	120.1°
C18	C19	H19	119.8°	119.9°
C20	C19	H19	119.8°	120.0°
C19	C20	C21	120.1°	120.3°
C19	C20	H20	120.0°	119.9°
C21	C20	H20	120.0°	119.8°
C20	C21	C22	120.3°	120.1°
C20	C21	H21	119.9°	120.0°
C22	C21	H21	119.9°	119.9°
C21	C22	H22	119.9°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	HN1	HN1A	120.0°	179.7°
N1	C2	C3	C7	179.2°	179.8°
N1	C2	C3	C4	179.5°	180.0°
N1	C2	C3	H3	0.5°	0.0°
N1	C2	C7	C6	179.3°	179.8°
N1	C2	C7	N8	2.5°	0.0°
HN1	N1	C2	C3	180.0°	179.7°
HN1	N1	C2	C7	0.8°	0.0°
HN1A	N1	C2	C3	60.0°	0.0°
HN1A	N1	C2	C7	120.8°	179.7°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	1.1°	0.0°
C2	C3	C4	H4	178.9°	180.0°
C3	C2	C7	C6	1.5°	0.5°
C3	C2	C7	N8	178.2°	179.7°
C7	C2	C3	C4	1.3°	0.2°
C7	C2	C3	H3	178.7°	179.8°
C2	C7	C6	C5	1.6°	0.5°
C2	C7	C6	N8	176.7°	179.8°
C2	C7	C6	H6	178.4°	179.7°
C2	C7	N8	C9	61.1°	145.0°
C2	C7	N8	HN8	118.9°	34.9°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C17	180.0°	180.0°
C3	C4	C5	C6	1.2°	0.0°
H3	C3	C4	C5	178.9°	180.0°
H3	C3	C4	H4	1.1°	0.0°
C4	C5	C17	C6	178.8°	179.9°
C4	C5	C6	C7	1.5°	0.3°
C4	C5	C6	H6	178.6°	179.9°
C4	C5	C17	C22	32.0°	179.8°
C4	C5	C17	C18	148.1°	0.1°
H4	C4	C5	C17	0.0°	0.1°
H4	C4	C5	C6	178.8°	180.0°
C17	C5	C6	C7	179.7°	179.8°
C17	C5	C6	H6	0.3°	0.0°
C5	C17	C22	C18	179.9°	179.7°
C5	C17	C18	C19	178.5°	179.9°
C5	C17	C18	H18	1.5°	0.1°
C5	C17	C22	C21	178.7°	179.7°
C5	C17	C22	H22	1.3°	0.3°
C5	C6	C7	H6	180.0°	179.8°
C5	C6	C7	N8	178.3°	179.7°
C6	C5	C17	C22	149.1°	0.3°
C6	C5	C17	C18	30.7°	180.0°
C6	C7	N8	C9	122.2°	34.8°
C6	C7	N8	HN8	57.8°	145.3°
H6	C6	C7	N8	1.7°	0.1°
C7	N8	C9	HN8	180.0°	179.9°
C7	N8	C9	O10	3.5°	4.6°
C7	N8	C9	C11	178.9°	175.5°
N8	C9	O10	C11	177.5°	180.0°
N8	C9	C11	C16	155.1°	0.3°
N8	C9	C11	C12	25.4°	179.9°
HN8	N8	C9	O10	176.5°	175.5°
HN8	N8	C9	C11	1.0°	4.5°
O10	C9	C11	C16	22.5°	179.7°
O10	C9	C11	C12	157.0°	0.0°
C9	C11	C16	C12	179.5°	179.7°
C9	C11	C12	C13	179.6°	180.0°
C9	C11	C12	H12	0.3°	0.1°
C9	C11	C16	C15	179.8°	179.8°
C9	C11	C16	H16	0.2°	0.0°
C16	C11	C12	C13	0.9°	0.3°
C16	C11	C12	H12	179.2°	179.7°
C11	C16	C15	C14	0.5°	0.5°
C11	C16	C15	H16	180.0°	179.8°
C11	C16	C15	H15	179.6°	179.7°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.8°	0.0°
C11	C12	C13	H13	179.2°	179.9°
C12	C11	C16	C15	0.7°	0.5°
C12	C11	C16	H16	179.3°	179.7°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.6°	0.1°
C12	C13	C14	H14	179.4°	180.0°
H12	C12	C13	C14	179.2°	180.0°
H12	C12	C13	H13	0.8°	0.0°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	0.4°	0.2°
C13	C14	C15	H15	179.6°	180.0°
H13	C13	C14	C15	179.4°	180.0°
H13	C13	C14	H14	0.6°	0.1°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	H16	179.5°	179.8°
H14	C14	C15	C16	179.6°	179.7°
H14	C14	C15	H15	0.4°	0.1°
H15	C15	C16	H16	0.4°	0.1°
C22	C17	C18	C19	1.4°	0.3°
C22	C17	C18	H18	178.6°	179.7°
C17	C22	C21	C20	1.1°	0.6°
C17	C22	C21	H22	180.0°	179.5°
C17	C22	C21	H21	178.9°	179.7°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	C20	1.6°	0.1°
C17	C18	C19	H19	178.4°	180.0°
C18	C17	C22	C21	1.1°	0.6°
C18	C17	C22	H22	178.8°	180.0°
C18	C19	C20	H19	180.0°	179.9°
C18	C19	C20	C21	1.5°	0.0°
C18	C19	C20	H20	178.5°	179.9°
H18	C18	C19	C20	178.4°	179.9°
H18	C18	C19	H19	1.6°	0.0°
C19	C20	C21	H20	180.0°	180.0°
C19	C20	C21	C22	1.2°	0.3°
C19	C20	C21	H21	178.8°	180.0°
H19	C19	C20	C21	178.5°	180.0°
H19	C19	C20	H20	1.5°	0.0°
C20	C21	C22	H21	180.0°	179.7°
C20	C21	C22	H22	178.9°	179.9°
H20	C20	C21	C22	178.8°	179.7°
H20	C20	C21	H21	1.3°	0.0°
H21	C21	C22	H22	1.1°	0.2°

Definition date:	2010-04-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3MAX