A1AON

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	N22	doub	1.32Å	1.32Å	Aromatic
C23	C24	sing	1.39Å	1.39Å	Aromatic
N22	C21	sing	1.32Å	1.32Å	Aromatic
C24	C25	doub	1.39Å	1.38Å	Aromatic
C21	N20	sing	1.38Å	1.45Å
C21	N26	doub	1.32Å	1.32Å	Aromatic
C25	N26	sing	1.32Å	1.32Å	Aromatic
C25	C27	sing	1.51Å	1.53Å
N20	C17	sing	1.47Å	1.45Å
F29	C27	sing	1.40Å	1.36Å
F30	C27	sing	1.40Å	1.36Å
C27	F28	sing	1.40Å	1.36Å
C16	C17	sing	1.53Å	1.44Å
C16	C15	sing	1.53Å	1.53Å
C17	C18	sing	1.53Å	1.44Å
C18	C19	sing	1.53Å	1.53Å
C15	N14	sing	1.47Å	1.43Å
C19	N14	sing	1.47Å	1.43Å
N14	C13	sing	1.47Å	1.22Å
C13	C02	sing	1.53Å	1.53Å
C06	C07	doub	1.38Å	1.38Å	Aromatic
C06	C05	sing	1.39Å	1.39Å	Aromatic
C02	C03	sing	1.53Å	1.53Å
C02	O01	sing	1.43Å	1.40Å
O04	C03	sing	1.43Å	1.39Å
O04	C05	sing	1.36Å	1.39Å
C07	C08	sing	1.38Å	1.38Å	Aromatic
C05	C12	doub	1.39Å	1.38Å	Aromatic
C08	CL09	sing	1.74Å	1.78Å
C08	C10	doub	1.38Å	1.38Å	Aromatic
C12	C10	sing	1.38Å	1.38Å	Aromatic
C10	CL11	sing	1.74Å	1.78Å
C12	H121	sing	1.08Å	1.08Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C06	H061	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
C23	H231	sing	1.08Å	1.08Å
C24	H241	sing	1.08Å	1.08Å
N20	H201	sing	0.97Å	1.00Å
O01	H011	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N22	C23	C24	118.4°	119.2°
C23	N22	C21	121.1°	120.8°
N22	C23	H231	120.8°	120.4°
C23	C24	C25	119.0°	118.5°
C24	C23	H231	120.8°	120.4°
C23	C24	H241	120.5°	120.7°
N22	C21	N20	119.9°	119.2°
N22	C21	N26	121.7°	121.6°
C24	C25	N26	119.1°	119.2°
C24	C25	C27	121.1°	120.4°
C25	C24	H241	120.5°	120.8°
N20	C21	N26	118.5°	119.2°
C21	N20	C17	119.3°	120.0°
C21	N20	H201	107.0°	120.0°
C21	N26	C25	120.7°	120.7°
N26	C25	C27	119.8°	120.4°
C25	C27	F29	109.3°	109.5°
C25	C27	F30	109.5°	109.5°
C25	C27	F28	109.3°	109.5°
N20	C17	C16	107.3°	109.5°
N20	C17	C18	109.0°	109.5°
N20	C17	H171	108.3°	109.6°
C17	N20	H201	106.9°	120.0°
F29	C27	F30	110.0°	109.4°
F29	C27	F28	109.2°	109.5°
F30	C27	F28	109.4°	109.4°
C17	C16	C15	114.6°	109.3°
C16	C17	C18	115.2°	109.2°
C17	C16	H162	108.2°	109.5°
C17	C16	H161	108.2°	109.5°
C16	C17	H171	108.4°	109.5°
C16	C15	N14	112.3°	109.5°
C16	C15	H152	108.7°	109.5°
C16	C15	H151	108.8°	109.5°
C15	C16	H162	108.2°	109.5°
C15	C16	H161	108.2°	109.5°
C17	C18	C19	113.5°	109.3°
C18	C17	H171	108.4°	109.6°
C17	C18	H181	108.5°	109.5°
C17	C18	H182	108.5°	109.5°
C18	C19	N14	111.1°	109.5°
C19	C18	H181	108.4°	109.5°
C19	C18	H182	108.5°	109.5°
C18	C19	H192	109.1°	109.5°
C18	C19	H191	109.1°	109.5°
C15	N14	C19	110.4°	111.2°
C15	N14	C13	111.4°	111.0°
N14	C15	H152	108.8°	109.4°
N14	C15	H151	108.8°	109.5°
C19	N14	C13	111.8°	111.0°
N14	C19	H192	109.1°	109.5°
N14	C19	H191	109.0°	109.5°
N14	C13	C02	110.1°	109.5°
N14	C13	H132	109.3°	109.5°
N14	C13	H131	109.3°	109.5°
C13	C02	C03	112.5°	109.5°
C13	C02	O01	107.5°	109.4°
C02	C13	H132	109.3°	109.5°
C02	C13	H131	109.3°	109.5°
C13	C02	H021	108.9°	109.4°
C07	C06	C05	119.9°	120.0°
C06	C07	C08	120.0°	120.0°
C07	C06	H061	120.0°	120.0°
C06	C07	H071	120.0°	119.9°
C06	C05	O04	120.3°	120.0°
C06	C05	C12	120.1°	119.9°
C05	C06	H061	120.0°	120.0°
C03	C02	O01	108.4°	109.5°
C02	C03	O04	108.4°	109.5°
C03	C02	H021	108.8°	109.5°
C02	C03	H032	109.8°	109.4°
C02	C03	H031	109.7°	109.5°
O01	C02	H021	110.7°	109.5°
C02	O01	H011	109.5°	114.0°
C03	O04	C05	113.4°	117.0°
O04	C03	H032	109.7°	109.5°
O04	C03	H031	109.7°	109.5°
O04	C05	C12	119.6°	120.1°
C07	C08	CL09	119.9°	119.9°
C07	C08	C10	120.0°	120.1°
C08	C07	H071	120.0°	120.0°
C05	C12	C10	119.9°	120.0°
C05	C12	H121	120.0°	120.0°
CL09	C08	C10	120.1°	119.9°
C08	C10	C12	120.1°	120.0°
C08	C10	CL11	120.4°	120.0°
C12	C10	CL11	119.5°	120.0°
C10	C12	H121	120.0°	120.0°
H132	C13	H131	109.5°	109.4°
H152	C15	H151	109.5°	109.5°
H162	C16	H161	109.5°	109.5°
H181	C18	H182	109.5°	109.5°
H192	C19	H191	109.5°	109.4°
H032	C03	H031	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N22	C23	C24	H231	180.0°	180.0°
N22	C23	C24	C25	0.0°	0.3°
C23	N22	C21	N20	180.0°	180.0°
C23	N22	C21	N26	0.2°	0.3°
N22	C23	C24	H241	180.0°	180.0°
C24	C23	N22	C21	0.1°	0.0°
C23	C24	C25	H241	180.0°	179.7°
C23	C24	C25	N26	0.0°	0.3°
C23	C24	C25	C27	179.9°	180.0°
N22	C21	N20	N26	179.8°	179.8°
N22	C21	N26	C25	0.2°	0.3°
N22	C21	N20	C17	179.6°	0.3°
C21	N22	C23	H231	179.9°	179.9°
N22	C21	N20	H201	58.2°	179.7°
C24	C25	N26	C21	0.1°	0.0°
C24	C25	N26	C27	179.9°	179.8°
C24	C25	C27	F29	77.8°	150.0°
C24	C25	C27	F30	42.8°	30.0°
C24	C25	C27	F28	162.7°	90.0°
C25	C24	C23	H231	180.0°	179.7°
N20	C21	N26	C25	180.0°	180.0°
C21	N20	C17	H201	121.4°	180.0°
C21	N20	C17	C16	80.6°	155.0°
C21	N20	C17	C18	153.9°	85.3°
C21	N20	C17	H171	36.2°	34.9°
C21	N26	C25	C27	179.8°	179.8°
N26	C21	N20	C17	0.2°	180.0°
N26	C21	N20	H201	121.6°	0.0°
N26	C25	C27	F29	102.3°	29.8°
N26	C25	C27	F30	137.1°	149.7°
N26	C25	C27	F28	17.2°	90.3°
N26	C25	C24	H241	180.0°	180.0°
C25	C27	F29	F30	120.3°	120.0°
C25	C27	F29	F28	119.6°	120.0°
C25	C27	F30	F28	119.8°	120.0°
C27	C25	C24	H241	0.1°	0.3°
N20	C17	C16	C18	121.6°	119.9°
N20	C17	C16	H171	116.8°	120.2°
N20	C17	C16	C15	167.7°	62.3°
N20	C17	C18	H171	117.7°	120.2°
N20	C17	C18	C19	151.5°	62.2°
N20	C17	C16	H162	71.5°	57.7°
N20	C17	C16	H161	47.0°	177.8°
N20	C17	C18	H181	30.9°	57.7°
N20	C17	C18	H182	87.9°	177.8°
F29	C27	F30	F28	120.0°	120.0°
C17	C16	C15	H162	120.7°	120.0°
C17	C16	C15	H161	120.8°	119.9°
C16	C17	C18	H171	121.6°	119.9°
C16	C17	C18	C19	30.8°	57.6°
C17	C16	C15	N14	5.3°	59.2°
C17	C16	C15	H152	115.1°	179.2°
C17	C16	C15	H151	125.7°	60.8°
C17	C16	H162	H161	117.7°	120.1°
C16	C17	C18	H181	89.8°	177.5°
C16	C17	C18	H182	151.4°	62.3°
C16	C17	N20	H201	40.7°	25.0°
C15	C16	C17	C18	46.1°	57.6°
C16	C15	N14	H152	120.4°	120.0°
C16	C15	N14	H151	120.4°	120.0°
C16	C15	N14	C19	49.3°	61.8°
C16	C15	N14	C13	174.3°	174.2°
C16	C15	H152	H151	118.7°	120.0°
C15	C16	H162	H161	117.6°	120.1°
C15	C16	C17	H171	75.5°	177.6°
C17	C18	C19	H181	120.6°	119.9°
C17	C18	C19	H182	120.6°	120.0°
C17	C18	C19	N14	23.6°	59.2°
C18	C17	C16	H162	166.9°	177.6°
C18	C17	C16	H161	74.6°	62.3°
C17	C18	H181	H182	118.2°	120.1°
C17	C18	C19	H192	96.7°	60.8°
C17	C18	C19	H191	143.8°	179.2°
C18	C17	N20	H201	84.7°	94.7°
C18	C19	N14	C15	65.0°	61.8°
C18	C19	N14	H192	120.3°	120.1°
C18	C19	N14	H191	120.3°	120.0°
C18	C19	N14	C13	170.4°	174.2°
C19	C18	C17	H171	90.8°	177.5°
C19	C18	H181	H182	118.2°	120.1°
C18	C19	H192	H191	119.3°	120.0°
C15	N14	C19	C13	124.7°	124.1°
C15	N14	C13	C02	137.7°	75.8°
C15	N14	C13	H132	17.7°	164.2°
C15	N14	C13	H131	102.2°	44.2°
N14	C15	H152	H151	118.7°	120.0°
N14	C15	C16	H162	126.0°	179.1°
N14	C15	C16	H161	115.5°	60.7°
C15	N14	C19	H192	55.3°	58.3°
C15	N14	C19	H191	174.8°	178.2°
C19	N14	C13	C02	98.2°	160.0°
C19	N14	C13	H132	141.8°	40.0°
C19	N14	C13	H131	21.9°	80.0°
C19	N14	C15	H152	169.7°	178.3°
C19	N14	C15	H151	71.1°	58.2°
N14	C19	C18	H181	144.1°	179.1°
N14	C19	C18	H182	97.1°	60.8°
N14	C19	H192	H191	119.2°	120.0°
N14	C13	C02	H132	120.1°	120.0°
N14	C13	C02	H131	120.1°	120.1°
N14	C13	C02	C03	53.0°	177.4°
N14	C13	C02	O01	172.3°	62.6°
N14	C13	H132	H131	119.8°	120.0°
C13	N14	C15	H152	65.3°	54.2°
C13	N14	C15	H151	53.8°	65.8°
C13	N14	C19	H192	69.4°	65.8°
C13	N14	C19	H191	50.1°	54.2°
N14	C13	C02	H021	67.7°	57.3°
C13	C02	C03	O01	118.8°	120.0°
C13	C02	C03	H021	120.8°	120.0°
C13	C02	O01	H021	118.8°	119.9°
C13	C02	C03	O04	59.2°	175.0°
C02	C13	H132	H131	119.7°	120.0°
C13	C02	C03	H032	179.1°	55.0°
C13	C02	C03	H031	60.6°	65.0°
C13	C02	O01	H011	180.0°	60.1°
C07	C06	C05	H061	180.0°	179.8°
C07	C06	C05	O04	179.9°	180.0°
C06	C07	C08	H071	180.0°	179.9°
C07	C06	C05	C12	0.0°	0.1°
C06	C07	C08	CL09	179.9°	180.0°
C06	C07	C08	C10	0.0°	0.4°
C06	C05	O04	C03	84.3°	0.1°
C06	C05	O04	C12	179.9°	179.9°
C05	C06	C07	C08	0.0°	0.2°
C06	C05	C12	C10	0.1°	0.1°
C06	C05	C12	H121	179.9°	180.0°
C05	C06	C07	H071	179.9°	180.0°
C03	C02	O01	H021	119.3°	120.0°
C02	C03	O04	H032	119.9°	120.0°
C02	C03	O04	H031	119.8°	120.1°
C02	C03	O04	C05	165.7°	180.0°
C03	C02	C13	H132	67.1°	62.6°
C03	C02	C13	H131	173.1°	57.3°
C02	C03	H032	H031	120.5°	120.0°
C03	C02	O01	H011	58.1°	60.0°
O01	C02	C03	O04	59.5°	65.0°
O01	C02	C13	H132	52.2°	57.4°
O01	C02	C13	H131	67.6°	177.3°
O01	C02	C03	H032	60.3°	175.0°
O01	C02	C03	H031	179.3°	55.0°
C03	O04	C05	C12	95.5°	180.0°
O04	C03	C02	H021	180.0°	55.0°
O04	C03	H032	H031	120.5°	120.0°
O04	C05	C12	C10	180.0°	180.0°
O04	C05	C12	H121	0.0°	0.1°
C05	O04	C03	H032	45.8°	60.0°
C05	O04	C03	H031	74.5°	59.9°
O04	C05	C06	H061	0.1°	0.2°
C07	C08	CL09	C10	179.9°	179.6°
C07	C08	C10	C12	0.0°	0.4°
C07	C08	C10	CL11	180.0°	179.8°
C08	C07	C06	H061	180.0°	180.0°
C05	C12	C10	C08	0.1°	0.2°
C05	C12	C10	H121	180.0°	179.9°
C05	C12	C10	CL11	179.9°	180.0°
C12	C05	C06	H061	179.9°	179.7°
CL09	C08	C10	C12	180.0°	180.0°
CL09	C08	C10	CL11	0.0°	0.2°
CL09	C08	C07	H071	0.1°	0.2°
C08	C10	C12	CL11	180.0°	179.8°
C08	C10	C12	H121	179.9°	179.7°
C10	C08	C07	H071	179.9°	179.7°
CL11	C10	C12	H121	0.1°	0.1°
H132	C13	C02	H021	172.2°	177.3°
H131	C13	C02	H021	52.4°	62.7°
H152	C15	C16	H162	5.6°	60.9°
H152	C15	C16	H161	124.1°	59.2°
H151	C15	C16	H162	113.5°	59.1°
H151	C15	C16	H161	5.0°	179.2°
H162	C16	C17	H171	45.2°	62.5°
H161	C16	C17	H171	163.8°	57.6°
H171	C17	C18	H181	148.6°	62.6°
H171	C17	C18	H182	29.8°	57.6°
H171	C17	N20	H201	157.6°	145.1°
H181	C18	C19	H192	23.9°	59.1°
H181	C18	C19	H191	95.6°	60.9°
H182	C18	C19	H192	142.7°	179.2°
H182	C18	C19	H191	23.2°	59.2°
H021	C02	C03	H032	60.2°	65.0°
H021	C02	C03	H031	60.2°	175.0°
H021	C02	O01	H011	61.2°	180.0°
H061	C06	C07	H071	0.0°	0.2°
H231	C23	C24	H241	0.0°	0.0°

Release date:	2024-05-08
Definition date:	2024-04-19
Last modified:	2024-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	9BFM