A1C9B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	C21	sing	1.53Å	1.55Å
C22	C23	sing	1.51Å	1.53Å
C24	C23	doub	1.38Å	1.40Å	Aromatic
C24	C25	sing	1.38Å	1.39Å	Aromatic
C21	N20	sing	1.47Å	1.46Å
C21	C14	sing	1.50Å	1.51Å
C23	C28	sing	1.38Å	1.40Å	Aromatic
N20	C18	sing	1.35Å	1.33Å
C25	C26	doub	1.38Å	1.39Å	Aromatic
C28	C27	doub	1.38Å	1.39Å	Aromatic
C26	C27	sing	1.38Å	1.40Å	Aromatic
C18	O19	doub	1.22Å	1.22Å
C18	C15	sing	1.47Å	1.49Å
C14	C13	doub	1.37Å	1.39Å	Aromatic
C14	C15	sing	1.40Å	1.38Å	Aromatic
C13	C12	sing	1.40Å	1.41Å	Aromatic
C15	C16	doub	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.48Å	1.49Å
C12	N17	doub	1.33Å	1.37Å	Aromatic
F09	C08	sing	1.35Å	1.35Å
C10	C08	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
C16	N17	sing	1.32Å	1.36Å	Aromatic
C08	C07	sing	1.38Å	1.39Å	Aromatic
C11	C29	doub	1.39Å	1.40Å	Aromatic
C07	C06	doub	1.39Å	1.40Å	Aromatic
C29	C06	sing	1.39Å	1.40Å	Aromatic
C06	C05	sing	1.48Å	1.49Å
C05	C04	doub	1.36Å	1.38Å	Aromatic
C05	C30	sing	1.41Å	1.40Å	Aromatic
C04	N03	sing	1.35Å	1.37Å	Aromatic
C30	N31	doub	1.31Å	1.32Å	Aromatic
N03	N31	sing	1.40Å	1.34Å	Aromatic
N03	C02	sing	1.46Å	1.46Å
C02	C01	sing	1.53Å	1.54Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C02	H022	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C07	HC07	sing	1.08Å	1.08Å
C13	HC13	sing	1.08Å	1.08Å
C16	HC16	sing	1.08Å	1.08Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C24	HC24	sing	1.08Å	1.08Å
C25	HC25	sing	1.08Å	1.08Å
C26	HC26	sing	1.08Å	1.08Å
C28	HC28	sing	1.08Å	1.08Å
C29	HC29	sing	1.08Å	1.08Å
C04	HC04	sing	1.08Å	1.08Å
C10	HC10	sing	1.08Å	1.08Å
C21	HC21	sing	1.09Å	1.10Å
C27	HC27	sing	1.08Å	1.08Å
C30	HC30	sing	1.08Å	1.08Å
N20	HN20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C22	C23	114.5°	109.5°
C22	C21	N20	112.3°	110.1°
C22	C21	C14	114.4°	110.1°
C21	C22	H221	108.2°	109.5°
C21	C22	H222	108.2°	109.5°
C22	C21	HC21	109.1°	110.1°
C22	C23	C24	119.7°	120.0°
C22	C23	C28	120.0°	120.0°
C23	C22	H221	108.2°	109.5°
C23	C22	H222	108.2°	109.5°
C23	C24	C25	120.0°	120.0°
C24	C23	C28	120.3°	120.0°
C23	C24	HC24	120.0°	120.0°
C24	C25	C26	119.6°	120.0°
C25	C24	HC24	120.0°	120.0°
C24	C25	HC25	120.2°	120.0°
N20	C21	C14	100.9°	106.2°
C21	N20	C18	116.0°	108.8°
N20	C21	HC21	110.3°	110.1°
C21	N20	HN20	122.0°	125.6°
C21	C14	C13	132.3°	134.3°
C21	C14	C15	108.6°	106.5°
C14	C21	HC21	109.6°	110.2°
C23	C28	C27	119.7°	120.1°
C23	C28	HC28	120.1°	120.0°
N20	C18	O19	126.4°	124.8°
N20	C18	C15	104.2°	110.3°
C18	N20	HN20	122.0°	125.6°
C25	C26	C27	120.6°	120.0°
C26	C25	HC25	120.2°	120.0°
C25	C26	HC26	119.7°	120.0°
C28	C27	C26	119.9°	120.0°
C27	C28	HC28	120.2°	119.9°
C28	C27	HC27	120.1°	120.1°
C27	C26	HC26	119.7°	120.0°
C26	C27	HC27	120.1°	120.0°
O19	C18	C15	129.4°	124.9°
C18	C15	C14	109.9°	108.1°
C18	C15	C16	130.2°	133.1°
C13	C14	C15	119.0°	119.1°
C14	C13	C12	118.8°	118.8°
C14	C13	HC13	120.6°	120.6°
C14	C15	C16	120.0°	118.8°
C13	C12	C11	121.5°	119.6°
C13	C12	N17	121.9°	120.7°
C12	C13	HC13	120.6°	120.6°
C15	C16	N17	122.1°	120.5°
C15	C16	HC16	119.0°	119.7°
C11	C12	N17	116.6°	119.6°
C12	C11	C10	119.8°	120.1°
C12	C11	C29	122.0°	120.0°
C12	N17	C16	118.2°	122.1°
F09	C08	C10	119.6°	119.9°
F09	C08	C07	120.4°	119.9°
C08	C10	C11	121.3°	120.1°
C10	C08	C07	120.0°	120.2°
C08	C10	HC10	119.4°	120.0°
C10	C11	C29	118.2°	119.9°
C11	C10	HC10	119.4°	119.9°
N17	C16	HC16	119.0°	119.8°
C08	C07	C06	120.3°	120.1°
C08	C07	HC07	119.9°	119.9°
C11	C29	C06	121.0°	119.8°
C11	C29	HC29	119.5°	120.1°
C07	C06	C29	119.2°	119.9°
C07	C06	C05	120.0°	120.0°
C06	C07	HC07	119.8°	119.9°
C29	C06	C05	120.8°	120.1°
C06	C29	HC29	119.5°	120.1°
C06	C05	C04	127.7°	126.3°
C06	C05	C30	129.6°	126.2°
C04	C05	C30	102.6°	107.5°
C05	C04	N03	107.4°	107.7°
C05	C04	HC04	126.3°	126.2°
C05	C30	N31	113.6°	108.1°
C05	C30	HC30	123.2°	125.9°
C04	N03	N31	111.7°	108.2°
C04	N03	C02	127.6°	125.9°
N03	C04	HC04	126.3°	126.1°
C30	N31	N03	104.6°	108.5°
N31	C30	HC30	123.2°	126.0°
N31	N03	C02	120.6°	125.9°
N03	C02	C01	111.5°	109.5°
N03	C02	H022	108.9°	109.5°
N03	C02	H021	109.0°	109.5°
C02	C01	H011	109.5°	109.4°
C02	C01	H013	109.5°	109.5°
C02	C01	H012	109.5°	109.5°
C01	C02	H022	109.0°	109.5°
C01	C02	H021	109.0°	109.5°
H011	C01	H013	109.5°	109.5°
H011	C01	H012	109.5°	109.4°
H013	C01	H012	109.5°	109.5°
H022	C02	H021	109.4°	109.4°
H221	C22	H222	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C22	C23	H221	120.8°	120.0°
C21	C22	C23	H222	120.7°	120.0°
C21	C22	C23	C24	91.6°	89.8°
C22	C21	N20	C14	122.3°	119.2°
C22	C21	N20	HC21	121.9°	121.5°
C22	C21	C14	HC21	122.9°	121.6°
C21	C22	C23	C28	85.6°	90.0°
C22	C21	N20	C18	115.8°	119.2°
C22	C21	C14	C13	61.3°	60.8°
C22	C21	C14	C15	115.3°	119.2°
C21	C22	H221	H222	117.7°	120.0°
C22	C21	N20	HN20	64.2°	60.8°
C22	C23	C24	C28	177.2°	179.8°
C22	C23	C24	C25	176.8°	180.0°
C23	C22	C21	N20	48.1°	66.4°
C23	C22	C21	C14	66.1°	176.8°
C22	C23	C28	C27	175.6°	179.8°
C23	C22	H221	H222	117.7°	120.0°
C22	C23	C24	HC24	3.2°	0.1°
C22	C23	C28	HC28	4.4°	0.1°
C23	C22	C21	HC21	170.7°	55.1°
C23	C24	C25	HC24	180.0°	180.0°
C23	C24	C25	C26	1.0°	0.0°
C24	C23	C28	C27	1.6°	0.4°
C24	C23	C22	H221	29.1°	30.2°
C24	C23	C22	H222	147.6°	150.2°
C23	C24	C25	HC25	179.0°	180.0°
C24	C23	C28	HC28	178.4°	179.8°
C25	C24	C23	C28	0.4°	0.2°
C24	C25	C26	HC25	180.0°	180.0°
C24	C25	C26	C27	1.3°	0.0°
C24	C25	C26	HC26	178.7°	179.9°
N20	C21	C14	HC21	116.3°	119.2°
C21	N20	C18	HN20	180.0°	180.0°
C21	N20	C18	O19	176.0°	180.0°
C21	N20	C18	C15	4.7°	0.0°
N20	C21	C14	C13	177.9°	180.0°
N20	C21	C14	C15	5.4°	0.0°
N20	C21	C22	H221	72.6°	53.6°
N20	C21	C22	H222	168.9°	173.5°
C14	C21	N20	C18	6.5°	0.0°
C21	C14	C15	C18	3.2°	0.0°
C21	C14	C13	C15	176.3°	180.0°
C21	C14	C13	C12	176.7°	180.0°
C21	C14	C15	C16	176.7°	180.0°
C21	C14	C13	HC13	3.3°	0.0°
C14	C21	C22	H221	173.1°	63.2°
C14	C21	C22	H222	54.6°	56.8°
C14	C21	N20	HN20	173.5°	180.0°
C23	C28	C27	HC28	180.0°	179.8°
C23	C28	C27	C26	1.3°	0.4°
C28	C23	C22	H221	153.7°	150.0°
C28	C23	C22	H222	35.2°	30.0°
C28	C23	C24	HC24	179.6°	179.8°
C23	C28	C27	HC27	178.6°	179.8°
N20	C18	O19	C15	179.0°	180.0°
N20	C18	C15	C14	0.8°	0.0°
N20	C18	C15	C16	179.4°	180.0°
C18	N20	C21	HC21	122.3°	119.2°
C25	C26	C27	C28	0.1°	0.2°
C25	C26	C27	HC26	180.0°	179.9°
C26	C25	C24	HC24	179.0°	180.0°
C25	C26	C27	HC27	179.9°	180.0°
C28	C27	C26	HC27	180.0°	179.8°
C28	C27	C26	HC26	179.9°	179.9°
C27	C26	C25	HC25	178.7°	180.0°
C26	C27	C28	HC28	178.7°	179.8°
O19	C18	C15	C14	179.9°	180.0°
O19	C18	C15	C16	0.2°	0.0°
O19	C18	N20	HN20	4.0°	0.0°
C18	C15	C14	C13	179.7°	180.0°
C18	C15	C14	C16	179.9°	180.0°
C18	C15	C16	N17	180.0°	179.7°
C18	C15	C16	HC16	0.0°	0.0°
C15	C18	N20	HN20	175.2°	180.0°
C14	C13	C12	HC13	180.0°	179.9°
C13	C14	C15	C16	0.4°	0.0°
C14	C13	C12	C11	179.1°	180.0°
C14	C13	C12	N17	1.6°	0.3°
C13	C14	C21	HC21	61.6°	60.8°
C15	C14	C13	C12	0.4°	0.0°
C14	C15	C16	N17	0.1°	0.3°
C15	C14	C13	HC13	179.6°	180.0°
C14	C15	C16	HC16	179.9°	180.0°
C15	C14	C21	HC21	121.8°	119.2°
C13	C12	C11	N17	179.3°	179.7°
C13	C12	C11	C10	36.1°	0.9°
C13	C12	N17	C16	1.9°	0.6°
C13	C12	C11	C29	141.2°	179.7°
C15	C16	N17	C12	1.0°	0.6°
C15	C16	N17	HC16	180.0°	179.7°
C12	C11	C10	C08	174.8°	179.7°
C12	C11	C10	C29	177.4°	179.5°
C11	C12	N17	C16	178.8°	179.7°
C12	C11	C29	C06	174.9°	180.0°
C11	C12	C13	HC13	0.9°	0.1°
C12	C11	C29	HC29	5.1°	0.0°
C12	C11	C10	HC10	5.2°	0.2°
N17	C12	C11	C10	144.6°	179.4°
N17	C12	C11	C29	38.1°	0.0°
N17	C12	C13	HC13	178.4°	179.8°
C12	N17	C16	HC16	179.0°	179.7°
F09	C08	C10	C07	179.5°	179.9°
F09	C08	C10	C11	178.5°	180.0°
F09	C08	C07	C06	179.7°	180.0°
F09	C08	C07	HC07	0.3°	0.2°
F09	C08	C10	HC10	1.5°	0.1°
C08	C10	C11	HC10	180.0°	180.0°
C08	C10	C11	C29	2.6°	0.3°
C10	C08	C07	C06	0.7°	0.1°
C10	C08	C07	HC07	179.2°	179.7°
C11	C10	C08	C07	1.0°	0.0°
C10	C11	C29	C06	2.5°	0.5°
C10	C11	C29	HC29	177.5°	179.5°
C08	C07	C06	HC07	180.0°	179.8°
C08	C07	C06	C29	0.9°	0.2°
C08	C07	C06	C05	179.5°	179.7°
C07	C08	C10	HC10	179.0°	180.0°
C11	C29	C06	C07	0.8°	0.5°
C11	C29	C06	HC29	180.0°	180.0°
C11	C29	C06	C05	177.9°	179.4°
C29	C11	C10	HC10	177.4°	179.7°
C07	C06	C29	C05	178.6°	179.9°
C07	C06	C05	C04	25.1°	0.1°
C07	C06	C05	C30	154.9°	179.7°
C07	C06	C29	HC29	179.2°	179.5°
C29	C06	C05	C04	153.5°	180.0°
C29	C06	C05	C30	26.5°	0.2°
C29	C06	C07	HC07	179.1°	180.0°
C06	C05	C04	C30	180.0°	179.8°
C06	C05	C04	N03	178.5°	179.8°
C06	C05	C30	N31	180.0°	179.8°
C05	C06	C07	HC07	0.5°	0.1°
C05	C06	C29	HC29	2.1°	0.6°
C06	C05	C04	HC04	1.5°	0.1°
C06	C05	C30	HC30	0.0°	0.2°
C05	C04	N03	HC04	180.0°	179.9°
C04	C05	C30	N31	0.0°	0.0°
C05	C04	N03	N31	2.6°	0.0°
C05	C04	N03	C02	179.3°	180.0°
C04	C05	C30	HC30	180.0°	180.0°
C30	C05	C04	N03	1.5°	0.0°
C05	C30	N31	HC30	180.0°	179.9°
C05	C30	N31	N03	1.5°	0.0°
C30	C05	C04	HC04	178.5°	179.9°
C04	N03	N31	C30	2.6°	0.0°
C04	N03	N31	C02	176.9°	180.0°
C04	N03	C02	C01	85.7°	125.0°
C04	N03	C02	H022	154.0°	5.0°
C04	N03	C02	H021	34.7°	115.0°
C30	N31	N03	C02	179.4°	180.0°
N31	N03	C02	C01	90.7°	55.0°
N31	N03	C02	H022	29.6°	175.0°
N31	N03	C02	H021	149.0°	65.0°
N31	N03	C04	HC04	177.4°	179.9°
N03	N31	C30	HC30	178.5°	179.9°
N03	C02	C01	H022	120.3°	120.0°
N03	C02	C01	H021	120.3°	120.0°
N03	C02	C01	H011	180.0°	180.0°
N03	C02	C01	H013	60.0°	60.0°
N03	C02	C01	H012	60.0°	60.0°
N03	C02	H022	H021	119.0°	120.0°
C02	N03	C04	HC04	0.7°	0.1°
C02	C01	H011	H013	120.0°	120.0°
C02	C01	H011	H012	120.0°	120.0°
C02	C01	H013	H012	120.0°	120.0°
C01	C02	H022	H021	119.1°	120.0°
H011	C01	H013	H012	120.0°	120.0°
H011	C01	C02	H022	59.7°	60.0°
H011	C01	C02	H021	59.7°	60.0°
H013	C01	C02	H022	179.7°	60.0°
H013	C01	C02	H021	60.3°	180.0°
H012	C01	C02	H022	60.3°	180.0°
H012	C01	C02	H021	179.7°	60.0°
H221	C22	C21	HC21	50.0°	175.1°
H222	C22	C21	HC21	68.6°	64.9°
HC24	C24	C25	HC25	1.0°	0.0°
HC25	C25	C26	HC26	1.3°	0.1°
HC26	C26	C27	HC27	0.1°	0.0°
HC28	C28	C27	HC27	1.4°	0.1°
HC21	C21	N20	HN20	57.7°	60.8°

Release date:	2026-05-27
Definition date:	2026-02-26
Last modified:	2026-05-22
Release status:	REL
Processing site:	RCSB
Derived from:	11HQ