A2X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C04	C03	doub	1.38Å	1.38Å	Aromatic
C04	C05	sing	1.39Å	1.38Å	Aromatic
C03	C02	sing	1.38Å	1.38Å	Aromatic
S07	C05	sing	1.76Å	1.82Å
S07	C08	sing	1.76Å	1.81Å
C05	C06	doub	1.39Å	1.39Å	Aromatic
C02	C01	doub	1.38Å	1.38Å	Aromatic
C09	C08	doub	1.39Å	1.38Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	Aromatic
C06	C01	sing	1.38Å	1.38Å	Aromatic
C08	C13	sing	1.39Å	1.38Å	Aromatic
C10	C11	doub	1.39Å	1.39Å	Aromatic
C25	C23	sing	1.51Å	1.53Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C11	N14	sing	1.40Å	1.45Å
C23	C22	doub	1.39Å	1.39Å	Aromatic
C23	N24	sing	1.32Å	1.32Å	Aromatic
C22	C21	sing	1.39Å	1.39Å	Aromatic
N14	C15	sing	1.35Å	1.46Å
N24	C19	doub	1.33Å	1.32Å	Aromatic
C21	C26	sing	1.51Å	1.53Å
C21	N20	doub	1.32Å	1.32Å	Aromatic
C15	O16	doub	1.21Å	1.19Å
C15	C17	sing	1.51Å	1.53Å
C19	N20	sing	1.33Å	1.32Å	Aromatic
C19	S18	sing	1.76Å	1.82Å
C17	S18	sing	1.81Å	1.83Å
C01	H011	sing	1.08Å	1.08Å
C02	H021	sing	1.08Å	1.08Å
C03	H031	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C10	H101	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
N14	H141	sing	0.97Å	1.00Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C22	H221	sing	1.08Å	1.08Å
C25	H252	sing	1.09Å	1.10Å
C25	H253	sing	1.09Å	1.10Å
C25	H251	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C26	H263	sing	1.09Å	1.10Å
C26	H261	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C03	C04	C05	120.3°	119.9°
C04	C03	C02	120.0°	120.1°
C04	C03	H031	120.0°	120.0°
C03	C04	H041	119.8°	120.1°
C04	C05	S07	120.1°	120.1°
C04	C05	C06	120.0°	119.8°
C05	C04	H041	119.9°	120.0°
C03	C02	C01	119.9°	120.2°
C03	C02	H021	120.1°	119.8°
C02	C03	H031	120.0°	120.0°
C05	S07	C08	104.4°	103.0°
S07	C05	C06	119.9°	120.1°
S07	C08	C09	119.1°	120.0°
S07	C08	C13	120.1°	120.0°
C05	C06	C01	119.5°	119.9°
C05	C06	H061	120.2°	120.1°
C02	C01	C06	120.3°	120.1°
C02	C01	H011	119.8°	119.9°
C01	C02	H021	120.0°	120.0°
C08	C09	C10	119.8°	120.0°
C09	C08	C13	120.8°	120.0°
C08	C09	H091	120.1°	120.0°
C09	C10	C11	119.9°	120.0°
C10	C09	H091	120.1°	120.0°
C09	C10	H101	120.1°	120.0°
C06	C01	H011	119.8°	120.0°
C01	C06	H061	120.2°	120.0°
C08	C13	C12	119.5°	120.0°
C08	C13	H131	120.2°	120.0°
C10	C11	C12	120.3°	120.0°
C10	C11	N14	115.3°	120.0°
C11	C10	H101	120.0°	120.0°
C25	C23	C22	120.2°	120.4°
C25	C23	N24	120.3°	120.4°
C23	C25	H252	109.5°	109.5°
C23	C25	H253	109.5°	109.5°
C23	C25	H251	109.5°	109.5°
C13	C12	C11	119.7°	120.0°
C13	C12	H121	120.2°	120.0°
C12	C13	H131	120.3°	120.0°
C12	C11	N14	124.4°	120.0°
C11	C12	H121	120.1°	120.0°
C11	N14	C15	125.1°	120.0°
C11	N14	H141	117.4°	120.0°
C22	C23	N24	119.5°	119.2°
C23	C22	C21	119.5°	118.5°
C23	C22	H221	120.3°	120.7°
C23	N24	C19	118.9°	120.7°
C22	C21	C26	121.5°	120.4°
C22	C21	N20	117.9°	119.2°
C21	C22	H221	120.2°	120.7°
N14	C15	O16	121.9°	120.0°
N14	C15	C17	117.6°	120.0°
C15	N14	H141	117.4°	120.0°
N24	C19	N20	123.2°	121.6°
N24	C19	S18	118.3°	119.2°
C26	C21	N20	120.6°	120.4°
C21	C26	H262	109.5°	109.5°
C21	C26	H263	109.5°	109.5°
C21	C26	H261	109.5°	109.5°
C21	N20	C19	120.9°	120.7°
O16	C15	C17	120.4°	120.0°
C15	C17	S18	110.8°	109.5°
C15	C17	H171	109.1°	109.5°
C15	C17	H172	109.1°	109.5°
N20	C19	S18	118.5°	119.2°
C19	S18	C17	108.6°	100.0°
S18	C17	H171	109.1°	109.4°
S18	C17	H172	109.1°	109.4°
H171	C17	H172	109.5°	109.5°
H252	C25	H253	109.4°	109.5°
H252	C25	H251	109.5°	109.5°
H253	C25	H251	109.5°	109.5°
H262	C26	H263	109.5°	109.4°
H262	C26	H261	109.4°	109.5°
H263	C26	H261	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C03	C04	C05	H041	180.0°	179.9°
C04	C03	C02	H031	180.0°	179.9°
C03	C04	C05	S07	179.5°	179.9°
C03	C04	C05	C06	0.8°	0.3°
C04	C03	C02	C01	0.7°	0.0°
C04	C03	C02	H021	179.3°	180.0°
C05	C04	C03	C02	1.0°	0.1°
C04	C05	S07	C06	179.7°	179.7°
C04	C05	S07	C08	147.3°	5.1°
C04	C05	C06	C01	0.1°	0.6°
C05	C04	C03	H031	178.9°	180.0°
C04	C05	C06	H061	179.9°	180.0°
C03	C02	C01	H021	180.0°	179.9°
C03	C02	C01	C06	0.1°	0.2°
C03	C02	C01	H011	179.9°	179.9°
C02	C03	C04	H041	178.9°	179.9°
C05	S07	C08	C09	92.2°	95.2°
S07	C05	C06	C01	179.9°	179.7°
C05	S07	C08	C13	86.6°	85.0°
S07	C05	C04	H041	0.5°	0.1°
S07	C05	C06	H061	0.1°	0.3°
C08	S07	C05	C06	32.5°	175.2°
S07	C08	C09	C13	178.8°	179.7°
S07	C08	C09	C10	179.4°	180.0°
S07	C08	C13	C12	179.0°	179.7°
S07	C08	C09	H091	0.6°	0.0°
S07	C08	C13	H131	0.9°	0.0°
C05	C06	C01	C02	0.2°	0.5°
C05	C06	C01	H061	180.0°	179.4°
C05	C06	C01	H011	179.8°	179.6°
C06	C05	C04	H041	179.2°	179.8°
C02	C01	C06	H011	180.0°	179.8°
C01	C02	C03	H031	179.3°	179.9°
C02	C01	C06	H061	179.8°	180.0°
C08	C09	C10	H091	180.0°	180.0°
C08	C09	C10	C11	0.5°	0.0°
C09	C08	C13	C12	0.3°	0.6°
C08	C09	C10	H101	179.5°	180.0°
C09	C08	C13	H131	179.7°	179.7°
C10	C09	C08	C13	0.6°	0.3°
C09	C10	C11	H101	180.0°	180.0°
C09	C10	C11	C12	0.1°	0.1°
C09	C10	C11	N14	180.0°	179.9°
C06	C01	C02	H021	179.9°	179.7°
C08	C13	C12	H131	180.0°	179.7°
C08	C13	C12	C11	0.3°	0.6°
C13	C08	C09	H091	179.4°	179.7°
C08	C13	C12	H121	179.8°	179.7°
C10	C11	C12	C13	0.4°	0.4°
C10	C11	C12	N14	180.0°	179.9°
C10	C11	N14	C15	178.1°	144.9°
C11	C10	C09	H091	179.6°	180.0°
C10	C11	C12	H121	179.6°	180.0°
C10	C11	N14	H141	1.9°	35.2°
C25	C23	C22	N24	179.9°	179.7°
C25	C23	C22	C21	179.9°	180.0°
C25	C23	N24	C19	179.6°	179.7°
C25	C23	C22	H221	0.1°	0.0°
C23	C25	H252	H253	120.0°	120.0°
C23	C25	H252	H251	120.0°	120.0°
C23	C25	H253	H251	120.0°	120.0°
C13	C12	C11	H121	180.0°	179.7°
C13	C12	C11	N14	179.6°	179.8°
C12	C11	N14	C15	1.9°	35.0°
C12	C11	C10	H101	180.0°	180.0°
C11	C12	C13	H131	179.8°	179.7°
C12	C11	N14	H141	178.1°	144.9°
C11	N14	C15	H141	180.0°	179.9°
C11	N14	C15	O16	0.1°	4.5°
C11	N14	C15	C17	179.6°	175.4°
N14	C11	C10	H101	0.0°	0.1°
N14	C11	C12	H121	0.4°	0.1°
C23	C22	C21	H221	180.0°	180.0°
C22	C23	N24	C19	0.3°	0.5°
C23	C22	C21	C26	179.9°	180.0°
C23	C22	C21	N20	0.4°	0.0°
C22	C23	C25	H252	179.9°	90.0°
C22	C23	C25	H253	60.1°	150.0°
C22	C23	C25	H251	59.9°	30.0°
N24	C23	C22	C21	0.2°	0.3°
C23	N24	C19	N20	0.6°	0.5°
C23	N24	C19	S18	179.6°	179.7°
N24	C23	C22	H221	179.9°	179.7°
N24	C23	C25	H252	0.0°	89.7°
N24	C23	C25	H253	120.0°	30.2°
N24	C23	C25	H251	120.0°	150.3°
C22	C21	C26	N20	179.7°	180.0°
C22	C21	N20	C19	0.1°	0.1°
C22	C21	C26	H262	179.7°	90.0°
C22	C21	C26	H263	59.7°	30.0°
C22	C21	C26	H261	60.3°	149.9°
N14	C15	O16	C17	179.7°	179.9°
N14	C15	C17	S18	72.9°	180.0°
N14	C15	C17	H171	47.3°	60.0°
N14	C15	C17	H172	166.9°	60.1°
N24	C19	N20	C21	0.4°	0.2°
N24	C19	N20	S18	179.0°	179.7°
N24	C19	S18	C17	19.1°	0.3°
C26	C21	N20	C19	179.8°	180.0°
C26	C21	C22	H221	0.1°	0.0°
C21	C26	H262	H263	120.0°	120.0°
C21	C26	H262	H261	120.0°	120.0°
C21	C26	H263	H261	120.0°	120.0°
C21	N20	C19	S18	179.4°	180.0°
N20	C21	C22	H221	179.7°	180.0°
N20	C21	C26	H262	0.0°	90.1°
N20	C21	C26	H263	120.0°	150.0°
N20	C21	C26	H261	120.0°	30.0°
O16	C15	C17	S18	106.8°	0.1°
O16	C15	N14	H141	179.9°	175.4°
O16	C15	C17	H171	133.0°	119.9°
O16	C15	C17	H172	13.4°	120.0°
C15	C17	S18	C19	86.7°	180.0°
C15	C17	S18	H171	120.2°	120.1°
C15	C17	S18	H172	120.2°	120.0°
C17	C15	N14	H141	0.4°	4.7°
C15	C17	H171	H172	119.4°	120.1°
N20	C19	S18	C17	159.9°	180.0°
C19	S18	C17	H171	33.5°	60.0°
C19	S18	C17	H172	153.1°	60.0°
S18	C17	H171	H172	119.4°	119.9°
H011	C01	C02	H021	0.1°	0.1°
H011	C01	C06	H061	0.2°	0.2°
H021	C02	C03	H031	0.7°	0.0°
H031	C03	C04	H041	1.1°	0.2°
H091	C09	C10	H101	0.5°	0.0°
H121	C12	C13	H131	0.2°	0.0°
H252	C25	H253	H251	120.0°	120.0°
H262	C26	H263	H261	120.0°	120.0°

Release date:	2018-10-17
Definition date:	2017-11-15
Last modified:	2018-10-12
Release status:	REL
Processing site:	RCSB
Derived from:	5YQM