LQH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C4	sing	1.54Å	1.56Å
C9	N8	sing	1.47Å	1.45Å
C4	N1	sing	1.47Å	1.46Å
N8	C3	doub	1.31Å	1.27Å
N1	C3	sing	1.37Å	1.31Å
N1	C2	sing	1.38Å	1.33Å
C3	C7	sing	1.48Å	1.52Å
C19	C14	doub	1.38Å	1.40Å	Aromatic
C19	C16	sing	1.38Å	1.41Å	Aromatic
C14	C10	sing	1.38Å	1.41Å	Aromatic
C16	C11	doub	1.38Å	1.41Å	Aromatic
C10	F15	sing	1.35Å	1.34Å
C10	C5	doub	1.40Å	1.42Å	Aromatic
C11	C5	sing	1.40Å	1.41Å	Aromatic
C5	C2	sing	1.48Å	1.53Å
C2	C6	doub	1.35Å	1.35Å
C7	C13	sing	1.39Å	1.41Å	Aromatic
C7	C12	doub	1.41Å	1.40Å	Aromatic
C13	C18	doub	1.38Å	1.41Å	Aromatic
C6	C12	sing	1.46Å	1.51Å
C12	C17	sing	1.40Å	1.41Å	Aromatic
C18	C20	sing	1.39Å	1.40Å	Aromatic
C17	C20	doub	1.38Å	1.42Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C16	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C20	H8	sing	1.08Å	1.08Å
C4	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.08Å	1.08Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C9	N8	104.7°	104.0°
C9	C4	N1	99.6°	103.5°
C9	C4	H9	111.9°	110.6°
C9	C4	H10	111.9°	110.7°
C4	C9	H13	110.6°	110.5°
C4	C9	H14	110.7°	110.6°
C9	N8	C3	107.4°	110.5°
N8	C9	H13	110.7°	110.4°
N8	C9	H14	110.7°	110.5°
C4	N1	C3	109.2°	108.6°
C4	N1	C2	126.9°	129.6°
N1	C4	H9	111.9°	110.6°
N1	C4	H10	111.9°	110.7°
N8	C3	N1	117.0°	113.3°
N8	C3	C7	122.0°	128.3°
C3	N1	C2	124.0°	121.8°
N1	C3	C7	121.1°	118.4°
N1	C2	C5	122.7°	118.8°
N1	C2	C6	120.7°	122.5°
C3	C7	C13	124.3°	121.1°
C3	C7	C12	115.5°	119.0°
C14	C19	C16	120.7°	120.3°
C19	C14	C10	119.1°	120.1°
C19	C14	H3	120.4°	119.9°
C14	C19	H7	119.6°	119.9°
C19	C16	C11	120.3°	120.2°
C19	C16	H4	119.9°	119.9°
C16	C19	H7	119.6°	119.8°
C14	C10	F15	118.7°	120.1°
C14	C10	C5	120.7°	119.8°
C10	C14	H3	120.4°	119.9°
C16	C11	C5	119.7°	119.9°
C16	C11	H1	120.1°	120.1°
C11	C16	H4	119.9°	119.9°
F15	C10	C5	120.6°	120.1°
C10	C5	C11	119.5°	119.6°
C10	C5	C2	122.2°	120.2°
C11	C5	C2	118.3°	120.2°
C5	C11	H1	120.2°	120.0°
C5	C2	C6	116.7°	118.7°
C2	C6	C12	121.0°	119.5°
C2	C6	H11	119.5°	120.3°
C13	C7	C12	120.2°	119.9°
C7	C13	C18	120.3°	119.6°
C7	C13	H2	119.9°	120.2°
C7	C12	C6	117.2°	118.7°
C7	C12	C17	119.9°	119.6°
C13	C18	C20	119.3°	120.7°
C18	C13	H2	119.9°	120.2°
C13	C18	H6	120.3°	119.7°
C6	C12	C17	122.8°	121.7°
C12	C6	H11	119.5°	120.2°
C12	C17	C20	119.6°	119.5°
C12	C17	H5	120.2°	120.2°
C18	C20	C17	120.7°	120.7°
C20	C18	H6	120.3°	119.7°
C18	C20	H8	119.7°	119.6°
C20	C17	H5	120.2°	120.3°
C17	C20	H8	119.7°	119.6°
H9	C4	H10	109.5°	110.6°
H13	C9	H14	109.4°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C9	N8	H13	119.3°	118.6°
C4	C9	N8	H14	119.3°	118.7°
C9	C4	N1	H9	118.4°	118.5°
C9	C4	N1	H10	118.4°	118.6°
C4	C9	N8	C3	7.9°	0.0°
C9	C4	N1	C3	14.2°	0.0°
C9	C4	N1	C2	166.0°	180.0°
C9	C4	H9	H10	124.6°	123.0°
C4	C9	H13	H14	122.2°	122.8°
N8	C9	C4	N1	12.9°	0.0°
C9	N8	C3	N1	1.5°	0.0°
C9	N8	C3	C7	180.0°	180.0°
N8	C9	C4	H9	131.3°	118.5°
N8	C9	C4	H10	105.5°	118.6°
N8	C9	H13	H14	122.2°	122.6°
C4	N1	C3	N8	11.1°	0.0°
C4	N1	C3	C2	179.8°	180.0°
C4	N1	C3	C7	170.4°	180.0°
C4	N1	C2	C5	4.0°	0.3°
C4	N1	C2	C6	175.3°	180.0°
N1	C4	H9	H10	124.6°	122.9°
N1	C4	C9	H13	132.2°	118.6°
N1	C4	C9	H14	106.3°	118.7°
N8	C3	N1	C7	178.5°	180.0°
N8	C3	N1	C2	169.1°	180.0°
N8	C3	C7	C13	9.4°	0.1°
N8	C3	C7	C12	170.1°	180.0°
C3	N8	C9	H13	127.1°	118.6°
C3	N8	C9	H14	111.4°	118.7°
C3	N1	C2	C5	176.2°	179.7°
C3	N1	C2	C6	4.5°	0.0°
N1	C3	C7	C13	172.2°	180.0°
N1	C3	C7	C12	8.4°	0.0°
C3	N1	C4	H9	132.6°	118.5°
C3	N1	C4	H10	104.2°	118.6°
C2	N1	C3	C7	9.5°	0.0°
N1	C2	C5	C10	64.8°	114.4°
N1	C2	C5	C11	115.5°	65.6°
N1	C2	C5	C6	179.3°	179.7°
N1	C2	C6	C12	1.2°	0.0°
C2	N1	C4	H9	47.6°	61.5°
C2	N1	C4	H10	75.6°	61.4°
N1	C2	C6	H11	178.8°	180.0°
C3	C7	C13	C12	179.4°	179.9°
C3	C7	C13	C18	179.4°	179.9°
C3	C7	C12	C6	2.9°	0.0°
C3	C7	C12	C17	179.3°	179.9°
C3	C7	C13	H2	0.6°	0.1°
C14	C19	C16	H7	180.0°	180.0°
C19	C14	C10	H3	180.0°	180.0°
C14	C19	C16	C11	0.9°	0.1°
C19	C14	C10	F15	179.2°	180.0°
C19	C14	C10	C5	1.1°	0.6°
C14	C19	C16	H4	179.1°	180.0°
C16	C19	C14	C10	0.2°	0.3°
C19	C16	C11	H4	180.0°	179.9°
C19	C16	C11	C5	1.2°	0.1°
C19	C16	C11	H1	178.8°	179.8°
C16	C19	C14	H3	179.8°	179.7°
C14	C10	F15	C5	179.8°	179.4°
C14	C10	C5	C11	0.7°	0.5°
C14	C10	C5	C2	179.6°	179.4°
C10	C14	C19	H7	179.8°	179.7°
C16	C11	C5	C10	0.4°	0.2°
C16	C11	C5	H1	180.0°	179.9°
C16	C11	C5	C2	179.2°	179.7°
C11	C16	C19	H7	179.1°	179.9°
F15	C10	C5	C11	179.5°	179.9°
F15	C10	C5	C2	0.2°	0.0°
F15	C10	C14	H3	0.8°	0.0°
C10	C5	C11	C2	179.7°	179.9°
C10	C5	C2	C6	115.9°	65.4°
C10	C5	C11	H1	179.6°	179.9°
C5	C10	C14	H3	179.0°	179.4°
C11	C5	C2	C6	63.7°	114.7°
C5	C11	C16	H4	178.8°	180.0°
C5	C2	C6	C12	178.1°	179.7°
C2	C5	C11	H1	0.7°	0.1°
C5	C2	C6	H11	1.9°	0.2°
C2	C6	C12	C7	1.5°	0.0°
C2	C6	C12	H11	180.0°	180.0°
C2	C6	C12	C17	176.2°	180.0°
C7	C13	C18	H2	180.0°	180.0°
C13	C7	C12	C6	177.6°	180.0°
C13	C7	C12	C17	0.2°	0.0°
C7	C13	C18	C20	0.5°	0.0°
C7	C13	C18	H6	179.5°	180.0°
C12	C7	C13	C18	0.0°	0.0°
C7	C12	C6	C17	177.7°	180.0°
C7	C12	C17	C20	0.1°	0.0°
C12	C7	C13	H2	180.0°	180.0°
C7	C12	C17	H5	179.9°	179.9°
C7	C12	C6	H11	178.5°	180.0°
C13	C18	C20	H6	180.0°	179.9°
C13	C18	C20	C17	0.8°	0.1°
C13	C18	C20	H8	179.2°	180.0°
C6	C12	C17	C20	177.7°	180.0°
C6	C12	C17	H5	2.2°	0.1°
C12	C17	C20	C18	0.6°	0.1°
C12	C17	C20	H5	180.0°	179.9°
C12	C17	C20	H8	179.4°	180.0°
C17	C12	C6	H11	3.8°	0.1°
C18	C20	C17	H8	180.0°	179.9°
C20	C18	C13	H2	179.5°	180.0°
C18	C20	C17	H5	179.4°	180.0°
C17	C20	C18	H6	179.2°	180.0°
H1	C11	C16	H4	1.2°	0.2°
H2	C13	C18	H6	0.5°	0.0°
H3	C14	C19	H7	0.2°	0.3°
H4	C16	C19	H7	0.9°	0.0°
H5	C17	C20	H8	0.6°	0.1°
H6	C18	C20	H8	0.8°	0.1°
H9	C4	C9	H13	109.4°	0.1°
H9	C4	C9	H14	12.1°	122.8°
H10	C4	C9	H13	13.8°	122.8°
H10	C4	C9	H14	135.3°	0.1°

Release date:	2017-01-25
Definition date:	2016-10-17
Last modified:	2017-01-20
Release status:	REL
Processing site:	PDBJ
Derived from:	5H25