WXJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N21	C20	trip	1.14Å	1.02Å
C18	C19	doub	1.38Å	1.37Å	Aromatic
C18	C17	sing	1.40Å	1.36Å	Aromatic
C20	C17	sing	1.43Å	1.50Å
C19	C14	sing	1.39Å	1.37Å	Aromatic
C17	C16	doub	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.53Å	1.64Å
C12	O13	sing	1.43Å	1.40Å
C11	N08	sing	1.46Å	1.43Å
C14	O13	sing	1.36Å	1.37Å
C14	C15	doub	1.39Å	1.35Å	Aromatic
C16	C15	sing	1.38Å	1.36Å	Aromatic
N08	C09	sing	1.34Å	1.35Å	Aromatic
N08	C07	sing	1.38Å	1.36Å	Aromatic
C09	N10	doub	1.31Å	1.31Å	Aromatic
C07	N06	doub	1.33Å	1.29Å	Aromatic
C07	C03	sing	1.41Å	1.32Å	Aromatic
N06	C05	sing	1.33Å	1.25Å	Aromatic
N10	C02	sing	1.34Å	1.32Å	Aromatic
C03	C02	doub	1.41Å	1.42Å	Aromatic
C03	N04	sing	1.34Å	1.32Å	Aromatic
C05	N04	doub	1.32Å	1.32Å	Aromatic
C02	N01	sing	1.37Å	1.41Å
C15	H151	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C16	H161	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
N01	H012	sing	0.97Å	1.00Å
N01	H011	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N21	C20	C17	175.2°	180.0°
C19	C18	C17	120.0°	119.9°
C18	C19	C14	120.4°	120.1°
C19	C18	H181	120.0°	120.0°
C18	C19	H191	119.8°	119.9°
C18	C17	C20	119.6°	120.1°
C18	C17	C16	119.9°	119.8°
C17	C18	H181	120.0°	120.0°
C20	C17	C16	120.5°	120.1°
C19	C14	O13	124.4°	119.9°
C19	C14	C15	118.9°	120.2°
C14	C19	H191	119.8°	120.0°
C17	C16	C15	118.5°	119.9°
C17	C16	H161	120.7°	120.0°
C11	C12	O13	110.1°	109.5°
C12	C11	N08	107.9°	109.5°
C12	C11	H111	109.9°	109.5°
C12	C11	H112	109.9°	109.5°
C11	C12	H121	109.3°	109.5°
C11	C12	H122	109.3°	109.5°
C12	O13	C14	118.3°	117.0°
O13	C12	H121	109.3°	109.4°
O13	C12	H122	109.3°	109.5°
C11	N08	C09	118.4°	120.1°
C11	N08	C07	120.4°	120.1°
N08	C11	H111	109.9°	109.4°
N08	C11	H112	109.9°	109.5°
O13	C14	C15	116.5°	119.9°
C14	C15	C16	122.0°	120.1°
C14	C15	H151	119.0°	120.0°
C16	C15	H151	119.0°	120.0°
C15	C16	H161	120.8°	120.0°
C09	N08	C07	121.0°	119.8°
N08	C09	N10	121.8°	122.4°
N08	C09	H091	119.1°	118.8°
N08	C07	N06	132.9°	135.1°
N08	C07	C03	117.2°	118.4°
C09	N10	C02	119.8°	122.0°
N10	C09	H091	119.1°	118.8°
N06	C07	C03	109.9°	106.5°
C07	N06	C05	106.5°	108.7°
C07	C03	C02	121.3°	118.4°
C07	C03	N04	106.7°	106.4°
N06	C05	N04	111.9°	110.2°
N06	C05	H051	124.1°	124.9°
N10	C02	C03	118.8°	119.1°
N10	C02	N01	117.7°	120.4°
C02	C03	N04	131.9°	135.2°
C03	C02	N01	123.3°	120.4°
C03	N04	C05	104.5°	108.2°
N04	C05	H051	124.1°	124.9°
C02	N01	H012	109.5°	120.0°
C02	N01	H011	109.5°	120.0°
H111	C11	H112	109.4°	109.5°
H121	C12	H122	109.5°	109.4°
H012	N01	H011	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N21	C20	C17	C18	168.2°	41.9°
N21	C20	C17	C16	12.6°	138.0°
C19	C18	C17	H181	180.0°	179.8°
C19	C18	C17	C20	178.5°	179.7°
C18	C19	C14	H191	180.0°	179.8°
C19	C18	C17	C16	2.3°	0.2°
C18	C19	C14	O13	179.6°	180.0°
C18	C19	C14	C15	5.2°	0.1°
C18	C17	C20	C16	179.2°	180.0°
C17	C18	C19	C14	2.3°	0.2°
C18	C17	C16	C15	4.0°	0.0°
C18	C17	C16	H161	176.0°	180.0°
C17	C18	C19	H191	177.7°	180.0°
C20	C17	C16	C15	176.8°	180.0°
C20	C17	C16	H161	3.2°	0.0°
C20	C17	C18	H181	1.5°	0.0°
C19	C14	O13	C12	16.6°	0.0°
C19	C14	O13	C15	175.3°	180.0°
C19	C14	C15	C16	3.5°	0.3°
C19	C14	C15	H151	176.5°	180.0°
C14	C19	C18	H181	177.7°	180.0°
C17	C16	C15	C14	1.0°	0.3°
C17	C16	C15	H161	180.0°	180.0°
C17	C16	C15	H151	179.0°	180.0°
C16	C17	C18	H181	177.7°	180.0°
C11	C12	O13	H121	120.1°	120.0°
C11	C12	O13	H122	120.1°	120.0°
C12	C11	N08	H111	119.8°	120.0°
C12	C11	N08	H112	119.8°	120.0°
C11	C12	O13	C14	163.1°	180.0°
C12	C11	N08	C09	93.8°	90.0°
C12	C11	N08	C07	80.2°	90.0°
C12	C11	H111	H112	120.7°	120.0°
C11	C12	H121	H122	119.7°	120.0°
O13	C12	C11	N08	42.3°	65.0°
C12	O13	C14	C15	168.1°	180.0°
O13	C12	C11	H111	162.1°	175.0°
O13	C12	C11	H112	77.5°	55.0°
O13	C12	H121	H122	119.7°	119.9°
C11	N08	C09	C07	174.0°	180.0°
C11	N08	C09	N10	174.0°	179.7°
C11	N08	C07	N06	6.6°	0.0°
C11	N08	C07	C03	175.4°	180.0°
C11	N08	C09	H091	5.9°	0.3°
N08	C11	H111	H112	120.7°	120.0°
N08	C11	C12	H121	162.4°	175.0°
N08	C11	C12	H122	77.8°	55.0°
O13	C14	C15	C16	179.1°	179.7°
O13	C14	C15	H151	0.9°	0.0°
C14	O13	C12	H121	43.0°	59.9°
C14	O13	C12	H122	76.8°	60.0°
O13	C14	C19	H191	0.4°	0.3°
C14	C15	C16	H151	180.0°	179.7°
C14	C15	C16	H161	179.0°	179.7°
C15	C14	C19	H191	174.8°	179.7°
N08	C09	N10	H091	180.0°	179.4°
C09	N08	C07	N06	179.5°	180.0°
C09	N08	C07	C03	1.5°	0.0°
N08	C09	N10	C02	0.9°	0.6°
C09	N08	C11	H111	146.4°	30.0°
C09	N08	C11	H112	25.9°	150.0°
C07	N08	C09	N10	0.0°	0.3°
N08	C07	N06	C03	178.1°	180.0°
N08	C07	N06	C05	174.9°	180.0°
N08	C07	C03	C02	3.7°	0.0°
N08	C07	C03	N04	179.8°	180.0°
C07	N08	C09	H091	180.0°	179.7°
C07	N08	C11	H111	39.6°	150.0°
C07	N08	C11	H112	160.0°	30.0°
C09	N10	C02	C03	3.1°	0.6°
C09	N10	C02	N01	178.3°	179.7°
N06	C07	C03	C02	177.8°	180.0°
N06	C07	C03	N04	1.3°	0.0°
C07	N06	C05	N04	6.7°	0.0°
C07	N06	C05	H051	173.3°	180.0°
C03	C07	N06	C05	3.3°	0.0°
C07	C03	C02	N10	4.7°	0.3°
C07	C03	C02	N04	175.5°	180.0°
C07	C03	N04	C05	5.0°	0.0°
C07	C03	C02	N01	179.5°	180.0°
N06	C05	N04	C03	7.5°	0.0°
N06	C05	N04	H051	180.0°	179.9°
N10	C02	C03	N01	174.9°	179.7°
N10	C02	C03	N04	179.8°	179.7°
C02	N10	C09	H091	179.1°	180.0°
N10	C02	N01	H012	0.0°	179.7°
N10	C02	N01	H011	120.0°	0.3°
C02	C03	N04	C05	179.0°	180.0°
C03	C02	N01	H012	174.9°	0.0°
C03	C02	N01	H011	65.1°	180.0°
N04	C03	C02	N01	5.0°	0.0°
C03	N04	C05	H051	172.5°	180.0°
C02	N01	H012	H011	120.0°	180.0°
H151	C15	C16	H161	1.0°	0.0°
H111	C11	C12	H121	77.8°	55.0°
H111	C11	C12	H122	42.0°	65.0°
H112	C11	C12	H121	42.7°	65.0°
H112	C11	C12	H122	162.4°	175.0°
H181	C18	C19	H191	2.3°	0.2°

Release date:	2022-07-13
Definition date:	2020-11-17
Last modified:	2022-07-08
Release status:	REL
Processing site:	RCSB
Derived from:	5S6P