A1AUZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	sing	1.51Å	1.52Å
C03	C02	doub	1.35Å	1.39Å
O05	S04	doub	1.42Å	1.48Å
C07	N06	sing	1.40Å	1.47Å
C08	C07	doub	1.39Å	1.39Å	Aromatic
C09	C08	sing	1.39Å	1.39Å	Aromatic
C11	C10	doub	1.37Å	1.43Å	Aromatic
CL12	C11	sing	1.74Å	1.79Å
S13	C11	sing	1.72Å	1.61Å	Aromatic
N14	S13	sing	1.56Å	1.58Å	Aromatic
N15	N14	doub	1.28Å	1.42Å	Aromatic
C10	C09	sing	1.48Å	1.52Å
C16	C09	doub	1.39Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
C18	C17	doub	1.38Å	1.39Å	Aromatic
N06	S04	sing	1.66Å	1.72Å
O19	S04	doub	1.42Å	1.47Å
S04	C03	sing	1.76Å	1.85Å
C20	C03	sing	1.42Å	1.41Å
O21	C20	doub	1.22Å	1.40Å
N22	C20	sing	1.35Å	1.35Å
O23	N22	sing	1.21Å	1.35Å
C02	O23	sing	1.34Å	1.32Å
C07	C18	sing	1.39Å	1.40Å	Aromatic
C10	N15	sing	1.33Å	1.47Å	Aromatic
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C08	H081	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
N06	H061	sing	0.97Å	1.00Å
N22	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	129.5°	126.3°
C01	C02	O23	121.8°	126.3°
C02	C01	H011	109.5°	109.5°
C02	C01	H013	109.5°	109.5°
C02	C01	H012	109.5°	109.5°
C02	C03	S04	131.0°	127.9°
C02	C03	C20	103.9°	104.2°
C03	C02	O23	108.7°	107.4°
O05	S04	N06	106.3°	106.4°
O05	S04	O19	99.5°	123.2°
O05	S04	C03	110.7°	106.4°
N06	C07	C08	120.3°	120.0°
C07	N06	S04	119.3°	120.0°
N06	C07	C18	121.0°	120.0°
C07	N06	H061	107.0°	119.9°
C07	C08	C09	119.3°	119.8°
C08	C07	C18	118.7°	120.0°
C07	C08	H081	120.4°	120.1°
C08	C09	C10	119.3°	120.1°
C08	C09	C16	121.6°	119.8°
C09	C08	H081	120.4°	120.1°
C10	C11	CL12	126.2°	127.9°
C10	C11	S13	108.6°	104.1°
C11	C10	C09	125.8°	124.0°
C11	C10	N15	110.6°	112.0°
CL12	C11	S13	125.2°	127.9°
C11	S13	N14	100.8°	96.1°
S13	N14	N15	110.0°	109.6°
N14	N15	C10	110.0°	118.2°
C10	C09	C16	119.2°	120.1°
C09	C10	N15	123.6°	124.0°
C09	C16	C17	119.6°	120.0°
C09	C16	H161	120.2°	120.0°
C16	C17	C18	119.0°	120.2°
C17	C16	H161	120.2°	120.0°
C16	C17	H171	120.5°	119.9°
C17	C18	C07	121.9°	120.2°
C18	C17	H171	120.5°	119.9°
C17	C18	H181	119.0°	119.9°
N06	S04	O19	111.2°	106.4°
N06	S04	C03	112.4°	107.2°
S04	N06	H061	107.0°	120.0°
O19	S04	C03	115.6°	106.4°
S04	C03	C20	125.0°	127.9°
C03	C20	O21	126.4°	127.2°
C03	C20	N22	110.0°	105.7°
O21	C20	N22	123.6°	127.2°
C20	N22	O23	106.2°	110.6°
C20	N22	H1	126.9°	124.7°
N22	O23	C02	111.2°	112.1°
O23	N22	H1	126.9°	124.7°
C07	C18	H181	119.1°	120.0°
H011	C01	H013	109.5°	109.5°
H011	C01	H012	109.5°	109.5°
H013	C01	H012	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	O23	179.7°	179.7°
C01	C02	C03	S04	1.1°	0.1°
C01	C02	C03	C20	179.2°	179.9°
C01	C02	O23	N22	179.2°	179.9°
C02	C01	H011	H013	120.0°	120.0°
C02	C01	H011	H012	120.0°	120.0°
C02	C01	H013	H012	120.0°	120.0°
C02	C03	S04	O05	65.4°	136.4°
C02	C03	S04	N06	175.9°	110.0°
C02	C03	S04	O19	46.7°	3.5°
C02	C03	S04	C20	177.9°	179.9°
C02	C03	C20	O21	179.3°	179.9°
C02	C03	C20	N22	0.3°	0.0°
C03	C02	O23	N22	0.5°	0.5°
C03	C02	C01	H011	179.7°	179.7°
C03	C02	C01	H013	59.7°	59.6°
C03	C02	C01	H012	60.3°	60.3°
O05	S04	N06	C07	14.7°	48.5°
O05	S04	N06	O19	107.4°	132.9°
O05	S04	N06	C03	121.2°	113.5°
O05	S04	O19	C03	118.5°	123.0°
O05	S04	C03	C20	112.4°	43.5°
O05	S04	N06	H061	136.1°	131.5°
N06	C07	C08	C18	179.7°	179.7°
N06	C07	C08	C09	179.6°	180.0°
N06	C07	C18	C17	179.8°	179.8°
C07	N06	S04	H061	121.4°	180.0°
C07	N06	S04	O19	92.6°	178.5°
C07	N06	S04	C03	135.9°	65.0°
N06	C07	C08	H081	0.4°	0.1°
N06	C07	C18	H181	0.2°	0.0°
C07	C08	C09	H081	180.0°	179.9°
C07	C08	C09	C10	179.9°	180.0°
C07	C08	C09	C16	0.6°	0.0°
C08	C07	C18	C17	0.4°	0.5°
C08	C07	N06	S04	142.1°	134.7°
C08	C07	C18	H181	179.6°	179.7°
C08	C07	N06	H061	96.6°	45.3°
C08	C09	C10	C11	59.5°	145.3°
C08	C09	C10	C16	179.3°	180.0°
C08	C09	C16	C17	0.5°	0.0°
C09	C08	C07	C18	0.1°	0.3°
C08	C09	C10	N15	120.7°	35.0°
C08	C09	C16	H161	179.5°	180.0°
C10	C11	CL12	S13	179.8°	180.0°
C10	C11	S13	N14	0.2°	0.2°
C11	C10	N15	N14	0.2°	0.2°
C11	C10	C09	N15	179.8°	179.7°
C11	C10	C09	C16	121.2°	34.7°
CL12	C11	S13	N14	179.6°	179.8°
CL12	C11	C10	C09	0.2°	0.0°
CL12	C11	C10	N15	179.6°	179.8°
C11	S13	N14	N15	0.1°	0.1°
S13	C11	C10	C09	180.0°	180.0°
S13	C11	C10	N15	0.2°	0.2°
S13	N14	N15	C10	0.0°	0.1°
N14	N15	C10	C09	179.9°	180.0°
C10	C09	C16	C17	179.8°	180.0°
C10	C09	C08	H081	0.1°	0.1°
C10	C09	C16	H161	0.2°	0.0°
C09	C16	C17	H161	180.0°	180.0°
C09	C16	C17	C18	0.1°	0.3°
C16	C09	C10	N15	58.6°	145.0°
C16	C09	C08	H081	179.4°	180.0°
C09	C16	C17	H171	179.9°	179.9°
C16	C17	C18	H171	180.0°	179.8°
C16	C17	C18	C07	0.6°	0.5°
C16	C17	C18	H181	179.4°	179.7°
C17	C18	C07	H181	180.0°	179.8°
C18	C17	C16	H161	179.9°	179.7°
N06	S04	O19	C03	129.8°	114.1°
N06	S04	C03	C20	6.3°	70.0°
S04	N06	C07	C18	38.2°	45.0°
O19	S04	C03	C20	135.4°	176.5°
O19	S04	N06	H061	28.7°	1.4°
S04	C03	C20	O21	1.0°	0.0°
S04	C03	C20	N22	178.7°	180.0°
S04	C03	C02	O23	178.7°	179.8°
C03	S04	N06	H061	102.7°	115.0°
C03	C20	O21	N22	179.6°	179.9°
C03	C20	N22	O23	0.0°	0.2°
C20	C03	C02	O23	0.5°	0.3°
C03	C20	N22	H1	180.0°	180.0°
O21	C20	N22	O23	179.6°	179.8°
O21	C20	N22	H1	0.4°	0.1°
C20	N22	O23	H1	180.0°	179.7°
C20	N22	O23	C02	0.3°	0.5°
O23	C02	C01	H011	0.0°	0.1°
O23	C02	C01	H013	120.0°	119.9°
O23	C02	C01	H012	120.0°	120.1°
C02	O23	N22	H1	179.7°	179.8°
C18	C07	C08	H081	179.8°	179.8°
C07	C18	C17	H171	179.4°	179.7°
C18	C07	N06	H061	83.2°	135.0°
H011	C01	H013	H012	120.0°	120.0°
H161	C16	C17	H171	0.1°	0.1°
H171	C17	C18	H181	0.6°	0.1°

Release date:	2024-06-19
Definition date:	2024-06-12
Last modified:	2024-06-14
Release status:	REL
Processing site:	RCSB
Derived from:	9C83