Q0H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.38Å	1.40Å
N09	C02	doub	1.33Å	1.35Å	Aromatic
N09	C08	sing	1.32Å	1.33Å	Aromatic
C02	C03	sing	1.41Å	1.42Å	Aromatic
C08	N07	doub	1.32Å	1.33Å	Aromatic
C03	C04	sing	1.43Å	1.56Å
C03	C06	doub	1.41Å	1.42Å	Aromatic
N07	C06	sing	1.33Å	1.35Å	Aromatic
C04	N05	trip	1.14Å	1.15Å
C06	C10	sing	1.48Å	1.55Å
C10	C23	sing	1.41Å	1.41Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C23	N22	doub	1.31Å	1.37Å	Aromatic
C11	N12	sing	1.35Å	1.36Å	Aromatic
N22	N12	sing	1.40Å	1.36Å	Aromatic
N12	C13	sing	1.46Å	1.45Å
C20	C19	doub	1.38Å	1.39Å	Aromatic
C20	C14	sing	1.38Å	1.41Å	Aromatic
C19	C17	sing	1.38Å	1.40Å	Aromatic
C13	C14	sing	1.51Å	1.56Å
C14	C15	doub	1.38Å	1.39Å	Aromatic
C17	F18	sing	1.35Å	1.35Å
C17	C16	doub	1.39Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C16	F21	sing	1.35Å	1.34Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
N01	H5	sing	0.97Å	1.00Å
N01	H6	sing	0.97Å	1.00Å
C08	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C23	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	N09	120.3°	120.6°
N01	C02	C03	120.9°	120.6°
C02	N01	H5	109.5°	120.0°
C02	N01	H6	109.5°	120.0°
C02	N09	C08	121.2°	121.1°
N09	C02	C03	118.8°	118.8°
N09	C08	N07	121.8°	122.4°
N09	C08	H7	119.1°	118.8°
C02	C03	C04	119.6°	121.1°
C02	C03	C06	118.0°	117.9°
C08	N07	C06	121.6°	121.0°
N07	C08	H7	119.1°	118.8°
C04	C03	C06	122.4°	121.0°
C03	C04	N05	179.3°	180.0°
C03	C06	N07	118.6°	118.7°
C03	C06	C10	123.3°	120.6°
N07	C06	C10	118.1°	120.6°
C06	C10	C23	124.2°	126.4°
C06	C10	C11	127.5°	126.3°
C23	C10	C11	108.2°	107.3°
C10	C23	N22	106.8°	108.1°
C10	C23	H10	126.6°	125.9°
C10	C11	N12	106.5°	107.4°
C10	C11	H8	126.7°	126.4°
C23	N22	N12	107.9°	108.8°
N22	C23	H10	126.6°	125.9°
C11	N12	N22	110.7°	108.3°
C11	N12	C13	125.4°	125.8°
N12	C11	H8	126.8°	126.2°
N22	N12	C13	123.9°	125.8°
N12	C13	C14	103.3°	109.4°
N12	C13	H1	111.0°	109.5°
N12	C13	H2	111.0°	109.5°
C19	C20	C14	120.0°	120.0°
C20	C19	C17	119.0°	120.0°
C19	C20	H4	120.0°	119.9°
C20	C19	H9	120.5°	120.0°
C20	C14	C13	120.1°	119.9°
C20	C14	C15	120.7°	120.1°
C14	C20	H4	120.0°	120.0°
C19	C17	F18	120.5°	120.1°
C19	C17	C16	120.7°	119.9°
C17	C19	H9	120.5°	120.0°
C13	C14	C15	119.1°	120.0°
C14	C13	H1	111.0°	109.5°
C14	C13	H2	111.0°	109.5°
C14	C15	C16	119.2°	120.0°
C14	C15	H3	120.4°	120.0°
F18	C17	C16	118.8°	120.0°
C17	C16	C15	120.4°	119.9°
C17	C16	F21	120.2°	120.0°
C15	C16	F21	119.4°	120.0°
C16	C15	H3	120.4°	120.0°
H1	C13	H2	109.5°	109.5°
H5	N01	H6	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	N09	C03	178.5°	179.7°
N01	C02	N09	C08	179.6°	179.7°
N01	C02	C03	C04	0.7°	0.0°
N01	C02	C03	C06	179.6°	180.0°
C02	N01	H5	H6	120.0°	179.9°
C02	N09	C08	N07	1.9°	0.6°
N09	C02	C03	C04	179.2°	179.7°
N09	C02	C03	C06	1.9°	0.3°
N09	C02	N01	H5	0.0°	179.7°
N09	C02	N01	H6	120.0°	0.2°
C02	N09	C08	H7	178.1°	179.7°
C08	N09	C02	C03	1.9°	0.6°
N09	C08	N07	H7	180.0°	179.7°
N09	C08	N07	C06	2.0°	0.3°
C02	C03	C04	C06	178.8°	180.0°
C02	C03	C06	N07	2.0°	0.0°
C02	C03	C04	N05	8.4°	9.7°
C02	C03	C06	C10	178.6°	180.0°
C03	C02	N01	H5	178.4°	0.0°
C03	C02	N01	H6	58.5°	180.0°
C08	N07	C06	C03	2.1°	0.0°
C08	N07	C06	C10	178.5°	180.0°
C04	C03	C06	N07	179.2°	180.0°
C04	C03	C06	C10	0.2°	0.0°
C03	C06	N07	C10	179.4°	180.0°
C06	C03	C04	N05	172.8°	170.3°
C03	C06	C10	C23	163.2°	35.0°
C03	C06	C10	C11	21.0°	145.3°
N07	C06	C10	C23	16.2°	144.9°
N07	C06	C10	C11	159.7°	34.7°
C06	N07	C08	H7	178.0°	180.0°
C06	C10	C23	C11	176.5°	179.7°
C06	C10	C23	N22	177.9°	179.7°
C06	C10	C11	N12	178.0°	179.7°
C06	C10	C11	H8	2.0°	0.3°
C06	C10	C23	H10	2.1°	0.3°
C10	C23	N22	H10	180.0°	180.0°
C23	C10	C11	N12	1.6°	0.0°
C10	C23	N22	N12	0.6°	0.0°
C23	C10	C11	H8	178.4°	179.9°
C11	C10	C23	N22	1.4°	0.0°
C10	C11	N12	H8	180.0°	179.9°
C10	C11	N12	N22	1.3°	0.0°
C10	C11	N12	C13	178.0°	180.0°
C11	C10	C23	H10	178.6°	180.0°
C23	N22	N12	C11	0.4°	0.0°
C23	N22	N12	C13	178.9°	180.0°
C11	N12	N22	C13	179.3°	180.0°
C11	N12	C13	C14	101.9°	125.0°
C11	N12	C13	H1	139.1°	115.0°
C11	N12	C13	H2	17.2°	5.0°
N22	N12	C13	C14	77.3°	55.0°
N22	N12	C13	H1	41.7°	65.0°
N22	N12	C13	H2	163.7°	175.0°
N22	N12	C11	H8	178.7°	179.9°
N12	N22	C23	H10	179.3°	180.0°
N12	C13	C14	C20	80.7°	90.0°
N12	C13	C14	H1	119.0°	120.0°
N12	C13	C14	H2	119.0°	120.0°
N12	C13	C14	C15	97.1°	90.0°
N12	C13	H1	H2	122.9°	120.0°
C13	N12	C11	H8	2.0°	0.1°
C19	C20	C14	H4	180.0°	179.2°
C20	C19	C17	H9	180.0°	179.2°
C19	C20	C14	C13	179.3°	179.5°
C19	C20	C14	C15	1.5°	0.6°
C20	C19	C17	F18	179.9°	179.5°
C20	C19	C17	C16	0.6°	0.5°
C14	C20	C19	C17	1.0°	0.8°
C20	C14	C13	C15	177.8°	180.0°
C20	C14	C15	C16	1.5°	0.1°
C20	C14	C13	H1	160.3°	30.0°
C20	C14	C13	H2	38.3°	150.0°
C20	C14	C15	H3	178.5°	179.7°
C14	C20	C19	H9	179.0°	180.0°
C19	C17	F18	C16	179.5°	180.0°
C19	C17	C16	C15	0.6°	0.0°
C19	C17	C16	F21	179.7°	180.0°
C17	C19	C20	H4	179.0°	180.0°
C13	C14	C15	C16	179.3°	180.0°
C14	C13	H1	H2	122.9°	120.0°
C13	C14	C15	H3	0.6°	0.2°
C13	C14	C20	H4	0.7°	0.3°
C14	C15	C16	C17	1.1°	0.2°
C14	C15	C16	H3	180.0°	179.8°
C14	C15	C16	F21	179.2°	179.8°
C15	C14	C13	H1	21.9°	150.0°
C15	C14	C13	H2	143.9°	30.0°
C15	C14	C20	H4	178.5°	179.7°
F18	C17	C16	C15	179.9°	180.0°
F18	C17	C16	F21	0.2°	0.0°
F18	C17	C19	H9	0.1°	0.3°
C17	C16	C15	F21	179.7°	180.0°
C17	C16	C15	H3	178.9°	180.0°
C16	C17	C19	H9	179.4°	179.7°
F21	C16	C15	H3	0.8°	0.0°
H4	C20	C19	H9	1.0°	0.8°

Release date:	2021-05-12
Definition date:	2020-05-04
Last modified:	2021-05-07
Release status:	REL
Processing site:	PDBE
Derived from:	6YYD