YQH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.47Å	1.48Å
C1	C3	doub	1.39Å	1.36Å	Aromatic
C1	C4	sing	1.47Å	1.41Å	Aromatic
C2	C5	doub	1.39Å	1.38Å
C2	O6	sing	1.35Å	1.32Å
C3	O7	sing	1.34Å	1.34Å	Aromatic
C3	C8	sing	1.51Å	1.48Å
C4	N9	doub	1.30Å	1.30Å	Aromatic
C5	C10	sing	1.46Å	1.47Å
C5	C11	sing	1.43Å	1.43Å
O7	N9	sing	1.21Å	1.41Å	Aromatic
C10	N12	sing	1.35Å	1.36Å
C10	O13	doub	1.22Å	1.23Å
C11	N14	trip	1.14Å	1.15Å
N12	C15	sing	1.39Å	1.42Å
C15	C16	doub	1.39Å	1.39Å	Aromatic
C15	C17	sing	1.39Å	1.39Å	Aromatic
C16	C18	sing	1.37Å	1.39Å	Aromatic
C17	C19	doub	1.37Å	1.39Å	Aromatic
C18	C20	doub	1.40Å	1.40Å	Aromatic
C19	C20	sing	1.40Å	1.40Å	Aromatic
C20	C21	sing	1.47Å	1.50Å
C21	C22	sing	1.51Å	1.50Å
C21	O23	doub	1.21Å	1.23Å
C16	H30	sing	1.08Å	1.08Å
C17	H31	sing	1.08Å	1.08Å
C18	H32	sing	1.08Å	1.08Å
C19	H33	sing	1.08Å	1.08Å
C22	H34	sing	1.09Å	1.10Å
C22	H35	sing	1.09Å	1.10Å
C22	H36	sing	1.09Å	1.10Å
C4	H24	sing	1.08Å	1.08Å
O6	H25	sing	0.97Å	0.95Å
C8	H28	sing	1.09Å	1.10Å
C8	H27	sing	1.09Å	1.10Å
C8	H26	sing	1.09Å	1.10Å
N12	H29	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	130.8°	128.7°
C2	C1	C4	125.5°	128.7°
C1	C2	C5	127.3°	120.0°
C1	C2	O6	112.7°	120.0°
C3	C1	C4	103.7°	102.6°
C1	C3	O7	109.5°	106.1°
C1	C3	C8	134.6°	126.9°
C1	C4	N9	113.0°	105.4°
C1	C4	H24	123.5°	127.3°
C5	C2	O6	119.8°	120.0°
C2	C5	C10	126.4°	120.0°
C2	C5	C11	117.2°	120.0°
C2	O6	H25	109.5°	117.0°
O7	C3	C8	115.9°	127.0°
C3	O7	N9	109.0°	113.2°
C3	C8	H28	109.5°	109.5°
C3	C8	H27	109.5°	109.4°
C3	C8	H26	109.5°	109.5°
C4	N9	O7	104.8°	112.7°
N9	C4	H24	123.5°	127.3°
C10	C5	C11	116.3°	120.0°
C5	C10	N12	117.7°	120.0°
C5	C10	O13	119.6°	120.0°
C5	C11	N14	176.8°	180.0°
N12	C10	O13	122.7°	120.0°
C10	N12	C15	129.7°	120.0°
C10	N12	H29	115.1°	120.0°
N12	C15	C16	123.5°	119.9°
N12	C15	C17	117.3°	119.9°
C15	N12	H29	115.2°	120.0°
C16	C15	C17	119.1°	120.2°
C15	C16	C18	120.3°	120.1°
C15	C16	H30	119.8°	120.0°
C15	C17	C19	120.4°	120.1°
C15	C17	H31	119.8°	120.0°
C16	C18	C20	120.8°	119.9°
C18	C16	H30	119.8°	119.9°
C16	C18	H32	119.6°	120.0°
C17	C19	C20	120.9°	119.9°
C19	C17	H31	119.8°	120.0°
C17	C19	H33	119.5°	120.0°
C18	C20	C19	118.4°	119.8°
C18	C20	C21	120.3°	120.1°
C20	C18	H32	119.6°	120.1°
C19	C20	C21	121.2°	120.1°
C20	C19	H33	119.6°	120.1°
C20	C21	C22	119.5°	120.0°
C20	C21	O23	120.4°	120.0°
C22	C21	O23	120.1°	120.0°
C21	C22	H34	109.5°	109.5°
C21	C22	H35	109.5°	109.5°
C21	C22	H36	109.5°	109.5°
H34	C22	H35	109.5°	109.4°
H34	C22	H36	109.5°	109.4°
H35	C22	H36	109.4°	109.5°
H28	C8	H27	109.4°	109.4°
H28	C8	H26	109.5°	109.5°
H27	C8	H26	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	C4	177.3°	179.7°
C1	C2	C5	O6	174.4°	180.0°
C2	C1	C3	O7	177.6°	180.0°
C2	C1	C3	C8	2.6°	0.0°
C2	C1	C4	N9	177.9°	179.9°
C1	C2	C5	C10	178.0°	171.8°
C1	C2	C5	C11	4.1°	8.2°
C2	C1	C4	H24	2.1°	0.1°
C1	C2	O6	H25	180.0°	174.3°
C3	C1	C2	C5	162.6°	121.2°
C3	C1	C2	O6	22.7°	58.8°
C1	C3	O7	C8	179.8°	180.0°
C3	C1	C4	N9	0.4°	0.2°
C1	C3	O7	N9	0.1°	0.2°
C3	C1	C4	H24	179.6°	179.8°
C1	C3	C8	H28	179.8°	95.0°
C1	C3	C8	H27	60.2°	145.0°
C1	C3	C8	H26	59.8°	25.1°
C4	C1	C2	C5	20.6°	58.4°
C4	C1	C2	O6	154.1°	121.6°
C4	C1	C3	O7	0.3°	0.2°
C4	C1	C3	C8	179.9°	179.7°
C1	C4	N9	H24	180.0°	180.0°
C1	C4	N9	O7	0.4°	0.1°
C2	C5	C10	C11	177.9°	180.0°
C2	C5	C10	N12	3.2°	172.9°
C2	C5	C10	O13	179.3°	6.8°
C2	C5	C11	N14	137.1°	172.1°
C5	C2	O6	H25	4.8°	5.6°
O6	C2	C5	C10	3.6°	8.2°
O6	C2	C5	C11	178.5°	171.8°
C3	O7	N9	C4	0.2°	0.0°
O7	C3	C8	H28	0.0°	85.0°
O7	C3	C8	H27	120.0°	35.0°
O7	C3	C8	H26	120.0°	155.0°
C8	C3	O7	N9	179.9°	179.8°
C3	C8	H28	H27	120.0°	120.0°
C3	C8	H28	H26	120.0°	120.1°
C3	C8	H27	H26	120.0°	120.0°
C5	C10	N12	O13	177.4°	179.7°
C10	C5	C11	N14	41.0°	7.9°
C5	C10	N12	C15	177.7°	175.2°
C5	C10	N12	H29	2.3°	4.7°
C11	C5	C10	N12	178.9°	7.1°
C11	C5	C10	O13	1.4°	173.2°
O7	N9	C4	H24	179.6°	179.9°
C10	N12	C15	H29	180.0°	179.9°
C10	N12	C15	C16	23.3°	35.4°
C10	N12	C15	C17	159.3°	144.9°
O13	C10	N12	C15	4.9°	4.5°
O13	C10	N12	H29	175.1°	175.6°
N12	C15	C16	C17	177.4°	179.6°
N12	C15	C16	C18	179.9°	179.7°
N12	C15	C17	C19	179.6°	179.6°
N12	C15	C16	H30	0.1°	0.3°
N12	C15	C17	H31	0.4°	0.3°
C15	C16	C18	H30	180.0°	180.0°
C16	C15	C17	C19	2.1°	0.0°
C15	C16	C18	C20	1.5°	0.0°
C16	C15	C17	H31	177.9°	180.0°
C15	C16	C18	H32	178.6°	180.0°
C16	C15	N12	H29	156.7°	144.7°
C17	C15	C16	C18	2.5°	0.0°
C15	C17	C19	H31	180.0°	179.9°
C15	C17	C19	C20	0.6°	0.1°
C17	C15	C16	H30	177.5°	180.0°
C15	C17	C19	H33	179.4°	180.0°
C17	C15	N12	H29	20.7°	35.0°
C16	C18	C20	H32	180.0°	180.0°
C16	C18	C20	C19	0.1°	0.0°
C16	C18	C20	C21	179.5°	180.0°
C17	C19	C20	C18	0.5°	0.1°
C17	C19	C20	H33	180.0°	179.9°
C17	C19	C20	C21	179.9°	179.9°
C18	C20	C19	C21	179.4°	180.0°
C18	C20	C21	C22	179.5°	174.8°
C18	C20	C21	O23	0.3°	5.2°
C20	C18	C16	H30	178.6°	180.0°
C18	C20	C19	H33	179.5°	180.0°
C19	C20	C21	C22	1.1°	5.2°
C19	C20	C21	O23	179.1°	174.8°
C20	C19	C17	H31	179.4°	180.0°
C19	C20	C18	H32	179.9°	180.0°
C20	C21	C22	O23	179.8°	180.0°
C21	C20	C18	H32	0.5°	0.0°
C21	C20	C19	H33	0.1°	0.0°
C20	C21	C22	H34	179.8°	5.1°
C20	C21	C22	H35	59.8°	125.0°
C20	C21	C22	H36	60.2°	114.9°
C21	C22	H34	H35	120.0°	120.0°
C21	C22	H34	H36	120.0°	120.0°
C21	C22	H35	H36	120.0°	120.1°
O23	C21	C22	H34	0.0°	175.0°
O23	C21	C22	H35	120.0°	55.0°
O23	C21	C22	H36	120.0°	65.1°
H30	C16	C18	H32	1.4°	0.0°
H31	C17	C19	H33	0.6°	0.1°
H34	C22	H35	H36	120.0°	119.9°
H28	C8	H27	H26	120.0°	120.0°

Release date:	2024-02-21
Definition date:	2023-02-15
Last modified:	2024-02-16
Release status:	REL
Processing site:	RCSB
Derived from:	7FTR