S6N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C03	C04	sing	1.53Å	1.47Å
C03	C02	sing	1.53Å	1.54Å
C04	C05	sing	1.53Å	1.48Å
O07	C06	doub	1.21Å	1.26Å
C06	O08	sing	1.34Å	1.26Å
C06	C05	sing	1.51Å	1.56Å
C02	C22	sing	1.53Å	1.52Å
C02	C01	sing	1.53Å	1.52Å
C02	N10	sing	1.47Å	1.50Å
C05	C09	sing	1.53Å	1.53Å
C09	N10	sing	1.47Å	1.50Å
N10	C11	sing	1.35Å	1.43Å
C11	O21	doub	1.22Å	1.18Å
C11	C12	sing	1.48Å	1.50Å
C14	C13	sing	1.46Å	1.41Å	Aromatic
C14	C15	doub	1.34Å	1.39Å	Aromatic
C12	C13	doub	1.40Å	1.40Å	Aromatic
C12	N20	sing	1.33Å	1.31Å	Aromatic
C13	C17	sing	1.42Å	1.37Å	Aromatic
C15	N16	sing	1.37Å	1.32Å	Aromatic
N20	C19	doub	1.32Å	1.31Å	Aromatic
C17	N16	sing	1.37Å	1.33Å	Aromatic
C17	N18	doub	1.33Å	1.33Å	Aromatic
C19	N18	sing	1.32Å	1.31Å	Aromatic
C15	H151	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C04	H042	sing	1.09Å	1.10Å
C04	H041	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C09	H092	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C22	H221	sing	1.09Å	1.10Å
C22	H223	sing	1.09Å	1.10Å
N16	H161	sing	0.97Å	1.00Å
O08	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C04	C03	C02	115.2°	109.3°
C03	C04	C05	114.9°	109.5°
C04	C03	H031	108.0°	109.5°
C04	C03	H032	108.0°	109.5°
C03	C04	H042	108.1°	109.5°
C03	C04	H041	108.1°	109.5°
C03	C02	C22	109.0°	109.6°
C03	C02	C01	112.9°	109.6°
C03	C02	N10	113.8°	108.9°
C02	C03	H031	108.1°	109.5°
C02	C03	H032	108.0°	109.6°
C04	C05	C06	107.6°	109.5°
C04	C05	C09	114.5°	109.3°
C05	C04	H042	108.1°	109.4°
C05	C04	H041	108.1°	109.4°
C04	C05	H051	110.4°	109.5°
O07	C06	O08	119.9°	120.0°
O07	C06	C05	119.3°	120.0°
O08	C06	C05	120.9°	120.0°
C06	O08	H1	109.5°	117.0°
C06	C05	C09	105.3°	109.5°
C06	C05	H051	109.2°	109.5°
C22	C02	C01	108.9°	109.6°
C22	C02	N10	106.7°	109.6°
C02	C22	H222	109.5°	109.5°
C02	C22	H221	109.5°	109.5°
C02	C22	H223	109.5°	109.5°
C01	C02	N10	105.2°	109.6°
C02	C01	H012	109.5°	109.5°
C02	C01	H011	109.5°	109.5°
C02	C01	H013	109.5°	109.5°
C02	N10	C09	114.2°	118.5°
C02	N10	C11	121.2°	120.6°
C05	C09	N10	116.6°	108.9°
C09	C05	H051	109.6°	109.5°
C05	C09	H092	107.7°	109.6°
C05	C09	H091	107.6°	109.6°
C09	N10	C11	124.5°	120.9°
N10	C09	H092	107.7°	109.6°
N10	C09	H091	107.7°	109.5°
N10	C11	O21	121.5°	120.0°
N10	C11	C12	121.4°	120.0°
O21	C11	C12	117.0°	120.0°
C11	C12	C13	118.8°	120.9°
C11	C12	N20	118.7°	120.9°
C13	C14	C15	106.6°	106.9°
C14	C13	C12	137.8°	135.3°
C14	C13	C17	105.7°	106.1°
C13	C14	H141	126.7°	126.5°
C14	C15	N16	108.0°	110.0°
C14	C15	H151	126.0°	125.1°
C15	C14	H141	126.7°	126.5°
C13	C12	N20	122.4°	118.2°
C12	C13	C17	116.6°	118.6°
C12	N20	C19	118.2°	121.1°
C13	C17	N16	109.3°	107.0°
C13	C17	N18	118.0°	118.5°
C15	N16	C17	110.3°	110.0°
N16	C15	H151	126.0°	125.0°
C15	N16	H161	124.9°	125.0°
N20	C19	N18	121.7°	122.8°
N20	C19	H191	119.1°	118.6°
N16	C17	N18	132.7°	134.4°
C17	N16	H161	124.8°	125.0°
C17	N18	C19	123.1°	120.7°
N18	C19	H191	119.2°	118.6°
H012	C01	H011	109.5°	109.4°
H012	C01	H013	109.4°	109.5°
H011	C01	H013	109.5°	109.5°
H031	C03	H032	109.5°	109.4°
H042	C04	H041	109.5°	109.4°
H092	C09	H091	109.5°	109.7°
H222	C22	H221	109.5°	109.5°
H222	C22	H223	109.4°	109.4°
H221	C22	H223	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C04	C03	C02	H031	120.8°	119.9°
C04	C03	C02	H032	120.8°	120.0°
C03	C04	C05	H042	120.8°	120.0°
C03	C04	C05	H041	120.8°	120.1°
C03	C04	C05	C06	110.7°	178.7°
C04	C03	C02	C22	163.4°	65.1°
C04	C03	C02	C01	75.4°	174.6°
C04	C03	C02	N10	44.4°	54.8°
C03	C04	C05	C09	6.0°	61.3°
C04	C03	H031	H032	117.4°	120.1°
C03	C04	H042	H041	117.5°	120.1°
C03	C04	C05	H051	130.3°	58.6°
C02	C03	C04	C05	47.8°	61.4°
C03	C02	C22	C01	123.5°	120.3°
C03	C02	C22	N10	123.4°	119.4°
C03	C02	C01	N10	124.7°	119.4°
C03	C02	N10	C09	0.8°	53.6°
C03	C02	N10	C11	179.0°	126.3°
C03	C02	C01	H012	180.0°	174.7°
C03	C02	C01	H011	60.0°	65.3°
C03	C02	C01	H013	60.0°	54.7°
C02	C03	H031	H032	117.4°	120.1°
C02	C03	C04	H042	168.6°	58.6°
C02	C03	C04	H041	73.0°	178.6°
C03	C02	C22	H222	180.0°	60.3°
C03	C02	C22	H221	60.0°	59.7°
C03	C02	C22	H223	60.0°	179.7°
C04	C05	C06	O07	53.8°	0.1°
C04	C05	C06	O08	126.9°	180.0°
C04	C05	C06	C09	122.5°	119.9°
C04	C05	C06	H051	119.8°	120.1°
C04	C05	C09	H051	124.7°	119.9°
C04	C05	C09	N10	39.6°	54.7°
C05	C04	C03	H031	168.6°	178.7°
C05	C04	C03	H032	73.1°	58.7°
C05	C04	H042	H041	117.5°	119.9°
C04	C05	C09	H092	81.5°	65.2°
C04	C05	C09	H091	160.6°	174.4°
O07	C06	O08	C05	179.2°	179.9°
O07	C06	C05	C09	68.7°	119.8°
O07	C06	C05	H051	173.6°	120.1°
O07	C06	O08	H1	0.0°	0.1°
O08	C06	C05	C09	110.5°	60.1°
O08	C06	C05	H051	7.1°	60.0°
C06	C05	C09	H051	117.3°	120.1°
C06	C05	C09	N10	157.6°	174.7°
C06	C05	C04	H042	10.1°	61.3°
C06	C05	C04	H041	128.5°	58.6°
C06	C05	C09	H092	36.5°	54.8°
C06	C05	C09	H091	81.4°	65.6°
C05	C06	O08	H1	179.3°	180.0°
C22	C02	C01	N10	114.1°	120.3°
C22	C02	N10	C09	119.5°	66.3°
C22	C02	N10	C11	58.7°	113.8°
C22	C02	C01	H012	58.8°	54.4°
C22	C02	C01	H011	178.8°	174.4°
C22	C02	C01	H013	61.2°	65.6°
C22	C02	C03	H031	75.8°	54.8°
C22	C02	C03	H032	42.6°	174.8°
C02	C22	H222	H221	120.0°	120.0°
C02	C22	H222	H223	120.0°	120.0°
C02	C22	H221	H223	120.0°	120.0°
C01	C02	N10	C09	124.8°	173.4°
C01	C02	N10	C11	56.9°	6.5°
C02	C01	H012	H011	120.0°	120.0°
C02	C01	H012	H013	120.0°	120.0°
C02	C01	H011	H013	120.0°	120.0°
C01	C02	C03	H031	45.4°	65.5°
C01	C02	C03	H032	163.7°	54.5°
C01	C02	C22	H222	56.5°	60.0°
C01	C02	C22	H221	63.6°	180.0°
C01	C02	C22	H223	176.4°	60.0°
C02	N10	C09	C05	42.3°	53.6°
C02	N10	C09	C11	178.2°	179.9°
C02	N10	C11	O21	2.3°	0.3°
C02	N10	C11	C12	178.5°	179.7°
N10	C02	C01	H012	55.3°	65.9°
N10	C02	C01	H011	64.7°	54.1°
N10	C02	C01	H013	175.3°	174.1°
N10	C02	C03	H031	165.2°	174.7°
N10	C02	C03	H032	76.4°	65.3°
C02	N10	C09	H092	78.8°	66.3°
C02	N10	C09	H091	163.3°	173.3°
N10	C02	C22	H222	56.6°	179.7°
N10	C02	C22	H221	176.7°	59.7°
N10	C02	C22	H223	63.3°	60.3°
C05	C09	N10	H092	121.0°	119.9°
C05	C09	N10	H091	121.0°	119.8°
C05	C09	N10	C11	139.6°	126.3°
C09	C05	C04	H042	126.8°	58.7°
C09	C05	C04	H041	114.8°	178.6°
C05	C09	H092	H091	116.7°	120.4°
C09	N10	C11	O21	179.6°	179.6°
C09	N10	C11	C12	3.4°	0.4°
N10	C09	C05	H051	85.1°	65.3°
N10	C09	H092	H091	116.8°	120.2°
N10	C11	O21	C12	176.4°	180.0°
N10	C11	C12	C13	68.0°	172.8°
N10	C11	C12	N20	115.1°	7.2°
C11	N10	C09	H092	99.4°	113.8°
C11	N10	C09	H091	18.6°	6.5°
O21	C11	C12	C13	108.4°	7.3°
O21	C11	C12	N20	68.5°	172.8°
C11	C12	C13	C14	3.1°	0.1°
C11	C12	C13	N20	176.8°	180.0°
C11	C12	C13	C17	178.1°	180.0°
C11	C12	N20	C19	177.6°	179.8°
C13	C14	C15	H141	180.0°	179.7°
C14	C13	C12	C17	178.8°	179.9°
C14	C13	C12	N20	179.9°	179.9°
C13	C14	C15	N16	0.3°	0.5°
C14	C13	C17	N16	0.2°	0.0°
C14	C13	C17	N18	180.0°	179.8°
C13	C14	C15	H151	179.7°	179.9°
C15	C14	C13	C12	178.8°	179.7°
C15	C14	C13	C17	0.1°	0.3°
C14	C15	N16	H151	180.0°	179.4°
C14	C15	N16	C17	0.5°	0.5°
C14	C15	N16	H161	179.6°	179.5°
C13	C12	N20	C19	0.9°	0.2°
C12	C13	C17	N16	179.4°	180.0°
C12	C13	C17	N18	0.8°	0.3°
C12	C13	C14	H141	1.2°	0.0°
N20	C12	C13	C17	1.3°	0.0°
C12	N20	C19	N18	0.0°	0.2°
C12	N20	C19	H191	180.0°	179.7°
C13	C17	N16	C15	0.4°	0.3°
C13	C17	N16	N18	179.8°	179.7°
C13	C17	N18	C19	0.0°	0.3°
C17	C13	C14	H141	180.0°	180.0°
C13	C17	N16	H161	179.6°	179.7°
C15	N16	C17	H161	180.0°	180.0°
C15	N16	C17	N18	179.8°	180.0°
N16	C15	C14	H141	179.7°	179.8°
N20	C19	N18	C17	0.5°	0.1°
N20	C19	N18	H191	180.0°	179.9°
N16	C17	N18	C19	179.8°	180.0°
C17	N16	C15	H151	179.6°	179.9°
C17	N18	C19	H191	179.5°	180.0°
N18	C17	N16	H161	0.2°	0.0°
H151	C15	C14	H141	0.3°	0.4°
H151	C15	N16	H161	0.4°	0.1°
H012	C01	H011	H013	119.9°	120.0°
H031	C03	C04	H042	70.6°	61.3°
H031	C03	C04	H041	47.8°	58.7°
H032	C03	C04	H042	47.8°	178.6°
H032	C03	C04	H041	166.1°	61.4°
H042	C04	C05	H051	108.9°	178.6°
H041	C04	C05	H051	9.5°	61.5°
H051	C05	C09	H092	153.9°	174.9°
H051	C05	C09	H091	35.9°	54.4°
H222	C22	H221	H223	120.0°	119.9°

Release date:	2022-07-13
Definition date:	2022-06-23
Last modified:	2022-07-08
Release status:	REL
Processing site:	RCSB
Derived from:	5SPS