KWG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	C20	doub	1.38Å	1.37Å	Aromatic
C19	C18	sing	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.41Å	1.39Å	Aromatic
C12	C11	doub	1.35Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.38Å	Aromatic
C18	C17	doub	1.40Å	1.38Å	Aromatic
C13	C14	doub	1.35Å	1.39Å	Aromatic
C11	N10	sing	1.37Å	1.33Å	Aromatic
C21	C22	doub	1.38Å	1.38Å	Aromatic
C17	C22	sing	1.40Å	1.37Å	Aromatic
C17	C16	sing	1.43Å	1.50Å
C16	C15	trip	1.17Å	1.17Å
C14	N10	sing	1.37Å	1.33Å	Aromatic
N10	C09	sing	1.39Å	1.35Å
C15	C08	sing	1.43Å	1.50Å
C09	C08	doub	1.40Å	1.38Å	Aromatic
C09	C04	sing	1.40Å	1.39Å	Aromatic
O03	C02	doub	1.22Å	1.26Å
C08	C07	sing	1.40Å	1.37Å	Aromatic
C02	C04	sing	1.47Å	1.51Å
C02	O01	sing	1.35Å	1.25Å
C04	C05	doub	1.40Å	1.38Å	Aromatic
C07	C06	doub	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.38Å	1.37Å	Aromatic
C22	H221	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
O01	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C19	C18	119.3°	120.2°
C19	C20	C21	121.9°	120.3°
C19	C20	H201	119.1°	119.9°
C20	C19	H191	120.4°	119.9°
C19	C18	C17	118.2°	119.8°
C19	C18	H181	120.9°	120.1°
C18	C19	H191	120.4°	119.9°
C13	C12	C11	106.7°	107.5°
C12	C13	C14	106.2°	107.5°
C13	C12	H121	126.7°	126.3°
C12	C13	H131	126.9°	126.3°
C12	C11	N10	108.7°	108.2°
C12	C11	H111	125.7°	125.9°
C11	C12	H121	126.6°	126.3°
C20	C21	C22	119.2°	120.2°
C21	C20	H201	119.1°	119.8°
C20	C21	H211	120.4°	119.9°
C18	C17	C22	123.0°	119.7°
C18	C17	C16	119.4°	120.2°
C17	C18	H181	120.9°	120.1°
C13	C14	N10	108.8°	108.2°
C14	C13	H131	126.9°	126.2°
C13	C14	H141	125.6°	125.9°
C11	N10	C14	109.6°	108.6°
C11	N10	C09	121.9°	125.7°
N10	C11	H111	125.6°	125.9°
C21	C22	C17	118.5°	119.8°
C21	C22	H221	120.7°	120.1°
C22	C21	H211	120.4°	119.9°
C22	C17	C16	117.6°	120.1°
C17	C22	H221	120.8°	120.1°
C17	C16	C15	177.8°	180.0°
C16	C15	C08	174.4°	180.0°
C14	N10	C09	128.5°	125.7°
N10	C14	H141	125.6°	125.9°
N10	C09	C08	123.2°	120.2°
N10	C09	C04	120.3°	120.2°
C15	C08	C09	119.8°	120.2°
C15	C08	C07	116.9°	120.1°
C08	C09	C04	116.5°	119.5°
C09	C08	C07	123.2°	119.7°
C09	C04	C02	121.9°	120.1°
C09	C04	C05	121.3°	119.7°
O03	C02	C04	118.2°	120.0°
O03	C02	O01	123.5°	120.0°
C08	C07	C06	118.9°	120.3°
C08	C07	H071	120.6°	119.9°
C04	C02	O01	118.4°	120.0°
C02	C04	C05	116.9°	120.1°
C02	O01	H1	109.5°	117.1°
C04	C05	C06	120.5°	120.3°
C04	C05	H051	119.7°	119.9°
C07	C06	C05	119.6°	120.5°
C07	C06	H061	120.2°	119.8°
C06	C07	H071	120.6°	119.9°
C06	C05	H051	119.7°	119.9°
C05	C06	H061	120.2°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C19	C18	H191	180.0°	179.7°
C19	C20	C21	H201	180.0°	179.4°
C20	C19	C18	C17	0.1°	0.0°
C19	C20	C21	C22	1.3°	0.6°
C20	C19	C18	H181	179.9°	180.0°
C19	C20	C21	H211	178.8°	180.0°
C18	C19	C20	C21	0.7°	0.3°
C19	C18	C17	H181	180.0°	180.0°
C19	C18	C17	C22	0.2°	0.0°
C19	C18	C17	C16	179.8°	180.0°
C18	C19	C20	H201	179.3°	179.7°
C13	C12	C11	H121	180.0°	180.0°
C12	C13	C14	H131	180.0°	180.0°
C13	C12	C11	N10	1.0°	0.0°
C12	C13	C14	N10	0.8°	0.0°
C13	C12	C11	H111	179.0°	179.7°
C12	C13	C14	H141	179.2°	180.0°
C11	C12	C13	C14	1.1°	0.0°
C12	C11	N10	H111	180.0°	179.7°
C12	C11	N10	C14	0.5°	0.0°
C12	C11	N10	C09	178.6°	179.7°
C11	C12	C13	H131	178.9°	180.0°
C20	C21	C22	H211	180.0°	179.4°
C20	C21	C22	C17	1.1°	0.5°
C20	C21	C22	H221	178.9°	179.7°
C21	C20	C19	H191	179.3°	180.0°
C18	C17	C22	C21	0.3°	0.2°
C18	C17	C22	C16	179.9°	180.0°
C18	C17	C16	C15	152.9°	23.2°
C18	C17	C22	H221	179.7°	180.0°
C17	C18	C19	H191	180.0°	179.7°
C13	C14	N10	C11	0.2°	0.0°
C13	C14	N10	H141	180.0°	179.9°
C13	C14	N10	C09	177.7°	179.7°
C14	C13	C12	H121	178.9°	179.9°
C11	N10	C14	C09	177.9°	179.7°
C11	N10	C09	C08	122.4°	65.0°
C11	N10	C09	C04	58.2°	115.5°
N10	C11	C12	H121	179.0°	180.0°
C11	N10	C14	H141	179.8°	179.9°
C21	C22	C17	H221	180.0°	179.8°
C21	C22	C17	C16	179.6°	179.7°
C22	C21	C20	H201	178.7°	180.0°
C22	C17	C16	C15	27.2°	156.7°
C22	C17	C18	H181	179.7°	180.0°
C17	C22	C21	H211	179.0°	180.0°
C17	C16	C15	C08	59.8°	180.0°
C16	C17	C22	H221	0.4°	0.1°
C16	C17	C18	H181	0.2°	0.0°
C16	C15	C08	C09	162.2°	23.5°
C16	C15	C08	C07	19.1°	156.8°
C14	N10	C09	C08	59.9°	115.3°
C14	N10	C09	C04	119.5°	64.1°
C14	N10	C11	H111	179.5°	179.7°
N10	C14	C13	H131	179.2°	180.0°
N10	C09	C08	C15	1.0°	0.3°
N10	C09	C08	C04	179.4°	179.4°
N10	C09	C08	C07	179.6°	180.0°
N10	C09	C04	C02	0.3°	0.3°
N10	C09	C04	C05	179.5°	180.0°
C09	N10	C11	H111	1.4°	0.0°
C09	N10	C14	H141	2.3°	0.3°
C15	C08	C09	C07	178.6°	179.7°
C15	C08	C09	C04	179.6°	179.7°
C15	C08	C07	C06	178.7°	180.0°
C15	C08	C07	H071	1.3°	0.1°
C08	C09	C04	C02	179.7°	179.7°
C08	C09	C04	C05	1.1°	0.5°
C09	C08	C07	C06	0.0°	0.3°
C09	C08	C07	H071	179.9°	179.8°
C09	C04	C02	O03	114.6°	0.3°
C04	C09	C08	C07	1.0°	0.6°
C09	C04	C02	C05	179.2°	179.7°
C09	C04	C02	O01	64.8°	179.7°
C09	C04	C05	C06	0.2°	0.2°
C09	C04	C05	H051	179.8°	179.7°
O03	C02	C04	O01	179.4°	180.0°
O03	C02	C04	C05	64.6°	180.0°
O03	C02	O01	H1	0.0°	0.0°
C08	C07	C06	H071	180.0°	179.9°
C08	C07	C06	C05	0.9°	0.0°
C08	C07	C06	H061	179.1°	180.0°
C02	C04	C05	C06	179.4°	180.0°
C02	C04	C05	H051	0.5°	0.0°
C04	C02	O01	H1	179.3°	180.0°
O01	C02	C04	C05	116.0°	0.0°
C04	C05	C06	C07	0.8°	0.0°
C04	C05	C06	H051	180.0°	180.0°
C04	C05	C06	H061	179.2°	180.0°
C07	C06	C05	H061	180.0°	180.0°
C07	C06	C05	H051	179.2°	180.0°
C05	C06	C07	H071	179.1°	180.0°
H221	C22	C21	H211	1.0°	0.3°
H201	C20	C19	H191	0.7°	0.6°
H201	C20	C21	H211	1.3°	0.6°
H111	C11	C12	H121	1.0°	0.3°
H121	C12	C13	H131	1.1°	0.0°
H131	C13	C14	H141	0.8°	0.1°
H051	C05	C06	H061	0.8°	0.0°
H061	C06	C07	H071	0.9°	0.1°
H181	C18	C19	H191	0.1°	0.3°

Release date:	2019-03-20
Definition date:	2019-01-21
Last modified:	2019-03-15
Release status:	REL
Processing site:	RCSB
Derived from:	6NPP