RBO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C21	sing	1.43Å	1.42Å
O22	C04	sing	1.43Å	1.43Å
C21	C20	sing	1.53Å	1.52Å
C04	C03	sing	1.53Å	1.53Å
C04	C05	sing	1.53Å	1.53Å
C03	C02	sing	1.51Å	1.53Å
C20	N06	sing	1.47Å	1.42Å
O01	C02	doub	1.21Å	1.26Å
C02	O23	sing	1.34Å	1.26Å
C05	N06	sing	1.47Å	1.43Å
N06	C07	sing	1.38Å	1.47Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	C09	sing	1.39Å	1.41Å	Aromatic
C13	C12	sing	1.39Å	1.38Å	Aromatic
C07	C08	doub	1.40Å	1.43Å	Aromatic
C07	N19	sing	1.33Å	1.33Å	Aromatic
C09	C08	sing	1.47Å	1.45Å	Aromatic
C09	C10	doub	1.40Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.38Å	Aromatic
C08	C16	sing	1.40Å	1.39Å	Aromatic
N19	C18	doub	1.32Å	1.31Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
C10	N15	sing	1.38Å	1.33Å	Aromatic
C18	N17	sing	1.32Å	1.31Å	Aromatic
C16	N15	sing	1.37Å	1.33Å	Aromatic
C16	N17	doub	1.33Å	1.34Å	Aromatic
C18	H181	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C04	H041	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C05	H052	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
N15	H151	sing	0.97Å	1.00Å
O23	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	O22	C04	114.9°	113.8°
O22	C21	C20	112.7°	109.3°
O22	C21	H212	108.6°	109.5°
O22	C21	H211	108.7°	109.5°
O22	C04	C03	109.3°	109.6°
O22	C04	C05	113.5°	109.3°
O22	C04	H041	108.8°	109.5°
C21	C20	N06	111.9°	109.3°
C21	C20	H201	108.9°	109.5°
C21	C20	H202	108.8°	109.6°
C20	C21	H212	108.7°	109.5°
C20	C21	H211	108.7°	109.5°
C03	C04	C05	110.1°	109.5°
C04	C03	C02	114.7°	109.4°
C04	C03	H031	108.1°	109.4°
C04	C03	H032	108.1°	109.5°
C03	C04	H041	107.5°	109.5°
C04	C05	N06	113.9°	109.3°
C05	C04	H041	107.5°	109.5°
C04	C05	H051	108.3°	109.5°
C04	C05	H052	108.4°	109.5°
C03	C02	O01	119.4°	120.0°
C03	C02	O23	120.7°	120.0°
C02	C03	H031	108.2°	109.5°
C02	C03	H032	108.2°	109.5°
C20	N06	C05	114.6°	110.7°
C20	N06	C07	119.6°	111.0°
N06	C20	H201	108.8°	109.5°
N06	C20	H202	108.9°	109.5°
O01	C02	O23	119.8°	120.0°
C02	O23	H1	109.5°	117.0°
C05	N06	C07	115.8°	111.0°
N06	C05	H051	108.4°	109.5°
N06	C05	H052	108.4°	109.5°
N06	C07	C08	127.1°	120.8°
N06	C07	N19	113.7°	120.8°
C13	C14	C09	122.3°	119.8°
C14	C13	C12	120.2°	120.2°
C13	C14	H141	118.9°	120.1°
C14	C13	H131	119.9°	119.9°
C14	C09	C08	137.2°	133.8°
C14	C09	C10	116.1°	120.0°
C09	C14	H141	118.8°	120.1°
C13	C12	C11	119.0°	120.6°
C12	C13	H131	119.9°	119.9°
C13	C12	H121	120.5°	119.7°
C08	C07	N19	119.1°	118.4°
C07	C08	C09	141.4°	134.6°
C07	C08	C16	114.4°	118.8°
C07	N19	C18	123.6°	120.9°
C08	C09	C10	106.7°	106.3°
C09	C08	C16	104.1°	106.6°
C09	C10	C11	121.8°	119.3°
C09	C10	N15	108.4°	108.3°
C12	C11	C10	120.5°	120.1°
C11	C12	H121	120.5°	119.7°
C12	C11	H111	119.7°	120.0°
C08	C16	N15	109.6°	108.4°
C08	C16	N17	121.8°	118.5°
N19	C18	N17	119.9°	122.6°
N19	C18	H181	120.1°	118.7°
C11	C10	N15	129.8°	132.4°
C10	C11	H111	119.7°	119.9°
C10	N15	C16	111.2°	110.4°
C10	N15	H151	124.4°	124.7°
C18	N17	C16	121.1°	120.8°
N17	C18	H181	120.0°	118.7°
N15	C16	N17	128.6°	133.1°
C16	N15	H151	124.4°	124.8°
H201	C20	H202	109.5°	109.6°
H031	C03	H032	109.5°	109.5°
H051	C05	H052	109.5°	109.5°
H212	C21	H211	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C21	C20	H212	120.5°	119.9°
O22	C21	C20	H211	120.5°	119.9°
C21	O22	C04	C03	91.7°	178.6°
C21	O22	C04	C05	31.6°	58.6°
O22	C21	C20	N06	59.2°	56.8°
O22	C21	C20	H201	179.5°	176.7°
O22	C21	C20	H202	61.2°	63.1°
C21	O22	C04	H041	151.2°	61.3°
O22	C21	H212	H211	118.5°	120.1°
C04	O22	C21	C20	20.1°	58.6°
O22	C04	C03	C05	125.3°	119.8°
O22	C04	C03	H041	117.9°	120.1°
O22	C04	C05	H041	120.3°	120.0°
O22	C04	C03	C02	160.0°	65.2°
O22	C04	C05	N06	50.9°	56.8°
O22	C04	C03	H031	79.2°	54.8°
O22	C04	C03	H032	39.3°	174.8°
O22	C04	C05	H051	171.5°	63.2°
O22	C04	C05	H052	69.8°	176.7°
C04	O22	C21	H212	100.4°	178.6°
C04	O22	C21	H211	140.6°	61.3°
C21	C20	N06	H201	120.4°	119.9°
C21	C20	N06	H202	120.4°	120.0°
C21	C20	N06	C05	39.6°	58.6°
C21	C20	N06	C07	176.1°	177.6°
C21	C20	H201	H202	118.9°	120.2°
C20	C21	H212	H211	118.5°	120.1°
C03	C04	C05	H041	116.8°	120.0°
C04	C03	C02	H031	120.7°	119.9°
C04	C03	C02	H032	120.8°	120.0°
C04	C03	C02	O01	143.6°	0.0°
C04	C03	C02	O23	37.2°	179.9°
C03	C04	C05	N06	72.0°	176.8°
C04	C03	H031	H032	117.6°	120.0°
C03	C04	C05	H051	48.6°	56.8°
C03	C04	C05	H052	167.3°	63.3°
C05	C04	C03	C02	74.6°	175.0°
C04	C05	N06	C20	12.2°	58.6°
C04	C05	N06	H051	120.6°	120.0°
C04	C05	N06	H052	120.7°	119.9°
C04	C05	N06	C07	133.5°	177.6°
C05	C04	C03	H031	46.1°	65.0°
C05	C04	C03	H032	164.6°	55.0°
C04	C05	H051	H052	118.0°	120.1°
C03	C02	O01	O23	179.2°	179.9°
C02	C03	H031	H032	117.6°	120.0°
C02	C03	C04	H041	42.1°	54.9°
C03	C02	O23	H1	179.2°	180.0°
C20	N06	C05	C07	145.6°	123.8°
C20	N06	C07	C08	19.5°	117.6°
C20	N06	C07	N19	162.4°	61.7°
N06	C20	H201	H202	118.9°	120.1°
C20	N06	C05	H051	132.8°	61.4°
C20	N06	C05	H052	108.5°	178.5°
N06	C20	C21	H212	61.3°	176.7°
N06	C20	C21	H211	179.7°	63.1°
O01	C02	C03	H031	95.7°	119.9°
O01	C02	C03	H032	22.8°	120.0°
O01	C02	O23	H1	0.0°	0.1°
O23	C02	C03	H031	83.5°	60.0°
O23	C02	C03	H032	158.0°	60.1°
C05	N06	C07	C08	163.3°	118.8°
C05	N06	C07	N19	18.6°	62.0°
C05	N06	C20	H201	160.0°	178.5°
C05	N06	C20	H202	80.7°	61.4°
N06	C05	C04	H041	171.2°	63.1°
N06	C05	H051	H052	118.0°	120.1°
N06	C07	C08	N19	178.0°	179.3°
N06	C07	C08	C09	1.4°	0.7°
N06	C07	C08	C16	179.3°	180.0°
N06	C07	N19	C18	179.9°	179.8°
C07	N06	C20	H201	55.8°	57.7°
C07	N06	C20	H202	63.5°	62.4°
C07	N06	C05	H051	12.8°	62.4°
C07	N06	C05	H052	105.9°	57.7°
C13	C14	C09	H141	180.0°	179.9°
C14	C13	C12	H131	180.0°	180.0°
C13	C14	C09	C08	179.9°	180.0°
C13	C14	C09	C10	0.1°	0.1°
C14	C13	C12	C11	0.3°	0.1°
C14	C13	C12	H121	179.7°	179.9°
C09	C14	C13	C12	0.3°	0.1°
C14	C09	C08	C07	0.6°	0.1°
C14	C09	C08	C10	179.9°	179.9°
C14	C09	C08	C16	179.9°	179.3°
C14	C09	C10	C11	0.0°	0.1°
C14	C09	C10	N15	179.9°	179.0°
C09	C14	C13	H131	179.7°	179.9°
C13	C12	C11	H121	180.0°	180.0°
C13	C12	C11	C10	0.1°	0.1°
C12	C13	C14	H141	179.7°	180.0°
C13	C12	C11	H111	179.9°	180.0°
C07	C08	C09	C16	179.4°	179.4°
C07	C08	C09	C10	179.4°	180.0°
C08	C07	N19	C18	1.8°	0.5°
C07	C08	C16	N15	179.5°	179.6°
C07	C08	C16	N17	0.4°	0.5°
N19	C07	C08	C09	179.4°	179.9°
N19	C07	C08	C16	1.3°	0.7°
C07	N19	C18	N17	1.3°	0.0°
C07	N19	C18	H181	178.7°	179.8°
C08	C09	C10	C11	179.9°	180.0°
C08	C09	C10	N15	0.0°	1.0°
C09	C08	C16	N15	0.0°	0.1°
C09	C08	C16	N17	179.9°	180.0°
C08	C09	C14	H141	0.0°	0.1°
C09	C10	C11	C12	0.0°	0.1°
C10	C09	C08	C16	0.0°	0.6°
C09	C10	C11	N15	179.9°	178.7°
C09	C10	N15	C16	0.0°	1.0°
C10	C09	C14	H141	179.9°	180.0°
C09	C10	C11	H111	179.9°	180.0°
C09	C10	N15	H151	180.0°	179.6°
C12	C11	C10	H111	180.0°	179.9°
C12	C11	C10	N15	179.9°	178.7°
C11	C12	C13	H131	179.7°	179.9°
C08	C16	N15	C10	0.0°	0.5°
C08	C16	N17	C18	0.1°	0.0°
C08	C16	N15	N17	179.9°	179.9°
C08	C16	N15	H151	180.0°	180.0°
N19	C18	N17	H181	180.0°	179.8°
N19	C18	N17	C16	0.3°	0.2°
C11	C10	N15	C16	179.9°	179.8°
C10	C11	C12	H121	179.9°	180.0°
C11	C10	N15	H151	0.1°	0.7°
C10	N15	C16	H151	180.0°	179.5°
C10	N15	C16	N17	179.9°	179.4°
N15	C10	C11	H111	0.1°	1.2°
C18	N17	C16	N15	180.0°	180.0°
C16	N17	C18	H181	179.8°	180.0°
N17	C16	N15	H151	0.1°	0.1°
H141	C14	C13	H131	0.3°	0.0°
H131	C13	C12	H121	0.3°	0.0°
H121	C12	C11	H111	0.1°	0.0°
H201	C20	C21	H212	59.0°	63.4°
H201	C20	C21	H211	60.0°	56.8°
H202	C20	C21	H212	178.3°	56.8°
H202	C20	C21	H211	59.3°	177.0°
H031	C03	C04	H041	162.9°	174.9°
H032	C03	C04	H041	78.6°	65.1°
H041	C04	C05	H051	68.2°	176.9°
H041	C04	C05	H052	50.5°	56.8°

Release date:	2022-07-06
Definition date:	2022-06-22
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	5SRN