LUW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C09	sing	1.40Å	1.39Å	Aromatic
C10	C11	doub	1.35Å	1.37Å	Aromatic
C09	N08	doub	1.31Å	1.34Å	Aromatic
C11	N07	sing	1.36Å	1.31Å	Aromatic
N08	N07	sing	1.40Å	1.38Å	Aromatic
N07	C06	sing	1.39Å	1.45Å
C06	N12	doub	1.32Å	1.32Å	Aromatic
C06	N05	sing	1.33Å	1.31Å	Aromatic
N12	C13	sing	1.33Å	1.32Å	Aromatic
N05	C04	doub	1.32Å	1.32Å	Aromatic
C13	O14	sing	1.35Å	1.39Å
C13	C03	doub	1.41Å	1.39Å	Aromatic
C04	C03	sing	1.40Å	1.38Å	Aromatic
C03	C02	sing	1.47Å	1.52Å
C02	N15	sing	1.35Å	1.43Å
C02	O01	doub	1.22Å	1.18Å
N15	C16	sing	1.47Å	1.45Å
C20	C21	doub	1.38Å	1.39Å	Aromatic
C20	C17	sing	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.51Å	1.51Å
C21	C22	sing	1.39Å	1.38Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
C22	O23	sing	1.36Å	1.40Å
C22	C19	doub	1.39Å	1.38Å	Aromatic
C18	C19	sing	1.38Å	1.38Å	Aromatic
O23	C24	sing	1.36Å	1.40Å
C24	C25	doub	1.39Å	1.38Å	Aromatic
C24	C29	sing	1.39Å	1.39Å	Aromatic
C25	C26	sing	1.38Å	1.38Å	Aromatic
C29	C28	doub	1.38Å	1.39Å	Aromatic
C26	C27	doub	1.38Å	1.38Å	Aromatic
C28	C27	sing	1.38Å	1.38Å	Aromatic
C04	H041	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C10	H101	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C16	H162	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
C25	H251	sing	1.08Å	1.08Å
C26	H261	sing	1.08Å	1.08Å
C27	H271	sing	1.08Å	1.08Å
C28	H281	sing	1.08Å	1.08Å
C29	H291	sing	1.08Å	1.08Å
N15	H151	sing	0.97Å	1.00Å
O14	H141	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C10	C11	108.0°	108.0°
C10	C09	N08	107.3°	108.4°
C10	C09	H091	126.3°	125.8°
C09	C10	H101	126.0°	126.0°
C10	C11	N07	106.7°	107.6°
C11	C10	H101	126.0°	126.0°
C10	C11	H111	126.6°	126.3°
C09	N08	N07	107.0°	108.3°
N08	C09	H091	126.3°	125.8°
C11	N07	N08	110.9°	107.7°
C11	N07	C06	124.8°	126.1°
N07	C11	H111	126.6°	126.1°
N08	N07	C06	124.2°	126.1°
N07	C06	N12	119.4°	118.9°
N07	C06	N05	118.7°	119.0°
N12	C06	N05	121.9°	122.1°
C06	N12	C13	119.6°	120.8°
C06	N05	C04	121.2°	121.1°
N12	C13	O14	120.1°	120.6°
N12	C13	C03	120.5°	118.8°
N05	C04	C03	119.7°	119.0°
N05	C04	H041	120.2°	120.4°
O14	C13	C03	119.4°	120.6°
C13	O14	H141	109.5°	114.0°
C13	C03	C04	117.0°	118.2°
C13	C03	C02	121.5°	120.9°
C04	C03	C02	121.4°	120.9°
C03	C04	H041	120.1°	120.5°
C03	C02	N15	120.5°	120.0°
C03	C02	O01	120.6°	120.0°
N15	C02	O01	118.9°	120.0°
C02	N15	C16	118.3°	120.0°
C02	N15	H151	120.8°	120.0°
N15	C16	C17	114.1°	109.5°
N15	C16	H162	108.3°	109.5°
N15	C16	H161	108.3°	109.5°
C16	N15	H151	120.8°	120.0°
C21	C20	C17	119.0°	120.1°
C20	C21	C22	120.1°	119.9°
C21	C20	H201	120.5°	119.9°
C20	C21	H211	120.0°	120.0°
C20	C17	C16	120.8°	120.0°
C20	C17	C18	121.3°	120.1°
C17	C20	H201	120.5°	120.0°
C16	C17	C18	117.8°	119.9°
C17	C16	H162	108.3°	109.5°
C17	C16	H161	108.3°	109.5°
C21	C22	O23	118.3°	120.1°
C21	C22	C19	120.3°	119.9°
C22	C21	H211	120.0°	120.0°
C17	C18	C19	119.3°	120.0°
C17	C18	H181	120.4°	120.0°
O23	C22	C19	121.5°	120.1°
C22	O23	C24	114.3°	118.0°
C22	C19	C18	120.0°	120.0°
C22	C19	H191	120.0°	120.0°
C19	C18	H181	120.3°	120.0°
C18	C19	H191	120.0°	120.0°
O23	C24	C25	118.5°	120.0°
O23	C24	C29	121.2°	120.1°
C25	C24	C29	120.3°	119.9°
C24	C25	C26	120.0°	119.9°
C24	C25	H251	120.0°	120.0°
C24	C29	C28	119.8°	119.9°
C24	C29	H291	120.1°	120.0°
C25	C26	C27	120.0°	120.1°
C26	C25	H251	120.0°	120.1°
C25	C26	H261	120.0°	120.0°
C29	C28	C27	119.7°	120.1°
C29	C28	H281	120.1°	119.9°
C28	C29	H291	120.1°	120.1°
C26	C27	C28	120.2°	120.1°
C27	C26	H261	120.0°	119.9°
C26	C27	H271	119.9°	120.0°
C28	C27	H271	119.9°	120.0°
C27	C28	H281	120.2°	120.0°
H162	C16	H161	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C10	C11	H101	180.0°	179.9°
C10	C09	N08	H091	180.0°	179.7°
C09	C10	C11	N07	0.1°	0.0°
C10	C09	N08	N07	0.2°	0.0°
C09	C10	C11	H111	179.9°	180.0°
C11	C10	C09	N08	0.2°	0.0°
C10	C11	N07	H111	180.0°	179.9°
C10	C11	N07	N08	0.1°	0.1°
C10	C11	N07	C06	179.9°	180.0°
C11	C10	C09	H091	179.8°	179.7°
C09	N08	N07	C11	0.2°	0.1°
C09	N08	N07	C06	180.0°	180.0°
N08	C09	C10	H101	179.8°	179.9°
C11	N07	N08	C06	179.8°	179.9°
C11	N07	C06	N12	6.1°	180.0°
C11	N07	C06	N05	174.3°	0.3°
N07	C11	C10	H101	179.9°	180.0°
N08	N07	C06	N12	174.2°	0.0°
N08	N07	C06	N05	5.5°	179.7°
N07	N08	C09	H091	179.8°	179.7°
N08	N07	C11	H111	179.9°	180.0°
N07	C06	N12	N05	179.7°	179.7°
N07	C06	N12	C13	179.6°	179.9°
N07	C06	N05	C04	179.7°	179.9°
C06	N07	C11	H111	0.1°	0.1°
N12	C06	N05	C04	0.7°	0.2°
C06	N12	C13	O14	180.0°	180.0°
C06	N12	C13	C03	1.4°	0.1°
N05	C06	N12	C13	0.7°	0.2°
C06	N05	C04	C03	1.4°	0.0°
C06	N05	C04	H041	178.6°	179.9°
N12	C13	O14	C03	178.5°	180.0°
N12	C13	C03	C04	2.1°	0.3°
N12	C13	C03	C02	178.5°	180.0°
N12	C13	O14	H141	0.0°	90.0°
N05	C04	C03	C13	2.0°	0.3°
N05	C04	C03	H041	180.0°	179.9°
N05	C04	C03	C02	178.4°	180.0°
O14	C13	C03	C04	179.4°	179.7°
O14	C13	C03	C02	3.0°	0.0°
C13	C03	C04	C02	176.4°	179.7°
C13	C03	C02	N15	8.7°	179.7°
C13	C03	C02	O01	169.4°	0.6°
C13	C03	C04	H041	178.0°	179.8°
C03	C13	O14	H141	178.5°	90.0°
C04	C03	C02	N15	175.1°	0.0°
C04	C03	C02	O01	6.8°	179.7°
C03	C02	N15	O01	178.1°	179.7°
C03	C02	N15	C16	176.9°	179.8°
C02	C03	C04	H041	1.6°	0.1°
C03	C02	N15	H151	3.1°	0.3°
C02	N15	C16	H151	180.0°	180.0°
C02	N15	C16	C17	84.4°	180.0°
C02	N15	C16	H162	36.2°	60.0°
C02	N15	C16	H161	154.8°	60.0°
O01	C02	N15	C16	1.2°	0.0°
O01	C02	N15	H151	178.8°	180.0°
N15	C16	C17	C20	6.7°	90.3°
N15	C16	C17	H162	120.7°	120.0°
N15	C16	C17	H161	120.7°	120.0°
N15	C16	C17	C18	173.5°	90.1°
N15	C16	H162	H161	117.9°	120.0°
C21	C20	C17	H201	180.0°	179.9°
C21	C20	C17	C16	179.8°	180.0°
C20	C21	C22	H211	180.0°	180.0°
C21	C20	C17	C18	0.1°	0.4°
C20	C21	C22	O23	179.1°	180.0°
C20	C21	C22	C19	0.6°	0.3°
C20	C17	C16	C18	179.8°	179.6°
C17	C20	C21	C22	0.2°	0.1°
C20	C17	C18	C19	0.3°	0.4°
C20	C17	C16	H162	114.0°	29.7°
C20	C17	C16	H161	127.4°	149.6°
C20	C17	C18	H181	179.7°	179.7°
C17	C20	C21	H211	179.8°	180.0°
C16	C17	C18	C19	179.9°	180.0°
C17	C16	H162	H161	117.9°	120.0°
C16	C17	C18	H181	0.1°	0.1°
C16	C17	C20	H201	0.2°	0.1°
C17	C16	N15	H151	95.5°	0.0°
C21	C22	O23	C19	178.5°	179.7°
C21	C22	C19	C18	0.8°	0.3°
C21	C22	O23	C24	148.9°	0.6°
C21	C22	C19	H191	179.2°	179.7°
C22	C21	C20	H201	179.8°	180.0°
C17	C18	C19	C22	0.7°	0.0°
C17	C18	C19	H181	180.0°	179.9°
C18	C17	C16	H162	65.8°	150.0°
C18	C17	C16	H161	52.8°	30.0°
C17	C18	C19	H191	179.3°	180.0°
C18	C17	C20	H201	180.0°	179.7°
O23	C22	C19	C18	179.3°	180.0°
C22	O23	C24	C25	124.6°	90.0°
C22	O23	C24	C29	56.6°	90.3°
O23	C22	C19	H191	0.7°	0.0°
O23	C22	C21	H211	0.9°	0.0°
C22	C19	C18	H191	180.0°	180.0°
C19	C22	O23	C24	32.6°	179.7°
C22	C19	C18	H181	179.3°	179.9°
C19	C22	C21	H211	179.4°	179.7°
O23	C24	C25	C29	178.8°	179.7°
O23	C24	C25	C26	179.3°	179.7°
O23	C24	C29	C28	179.5°	179.8°
O23	C24	C25	H251	0.7°	0.3°
O23	C24	C29	H291	0.5°	0.3°
C24	C25	C26	H251	180.0°	180.0°
C25	C24	C29	C28	0.7°	0.0°
C24	C25	C26	C27	0.1°	0.1°
C24	C25	C26	H261	179.9°	180.0°
C25	C24	C29	H291	179.3°	180.0°
C29	C24	C25	C26	0.5°	0.0°
C24	C29	C28	H291	180.0°	179.9°
C24	C29	C28	C27	0.6°	0.1°
C29	C24	C25	H251	179.6°	180.0°
C24	C29	C28	H281	179.4°	180.0°
C25	C26	C27	H261	180.0°	179.9°
C25	C26	C27	C28	0.0°	0.0°
C25	C26	C27	H271	179.9°	179.9°
C29	C28	C27	C26	0.2°	0.0°
C29	C28	C27	H281	180.0°	180.0°
C29	C28	C27	H271	179.8°	180.0°
C26	C27	C28	H271	180.0°	180.0°
C27	C26	C25	H251	179.9°	180.0°
C26	C27	C28	H281	179.8°	180.0°
C28	C27	C26	H261	179.9°	180.0°
C27	C28	C29	H291	179.4°	180.0°
H091	C09	C10	H101	0.2°	0.3°
H101	C10	C11	H111	0.1°	0.1°
H162	C16	N15	H151	143.8°	120.0°
H161	C16	N15	H151	25.2°	120.1°
H181	C18	C19	H191	0.7°	0.1°
H201	C20	C21	H211	0.2°	0.1°
H251	C25	C26	H261	0.1°	0.0°
H261	C26	C27	H271	0.1°	0.0°
H271	C27	C28	H281	0.2°	0.0°
H281	C28	C29	H291	0.6°	0.0°

Release date:	2019-12-04
Definition date:	2019-09-10
Last modified:	2019-11-29
Release status:	REL
Processing site:	PDBE
Derived from:	6ST3