W46

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C12	sing	1.43Å	1.44Å
C12	C11	sing	1.51Å	1.56Å
C18	C17	sing	1.50Å	1.55Å
C18	C04	sing	1.50Å	1.58Å
C14	C11	doub	1.38Å	1.33Å	Aromatic
C14	C15	sing	1.38Å	1.36Å	Aromatic
O03	C02	doub	1.22Å	1.18Å
C11	C10	sing	1.38Å	1.43Å	Aromatic
C17	C16	doub	1.31Å	1.54Å
C15	C08	doub	1.38Å	1.44Å	Aromatic
C02	C04	sing	1.41Å	1.53Å
C02	N01	sing	1.35Å	1.47Å
C04	C05	doub	1.35Å	1.50Å
C16	N06	sing	1.39Å	1.46Å
C10	C09	doub	1.38Å	1.37Å	Aromatic
C08	C09	sing	1.38Å	1.33Å	Aromatic
C08	C07	sing	1.51Å	1.59Å
C05	N06	sing	1.37Å	1.40Å
N06	C07	sing	1.47Å	1.48Å
C10	H101	sing	1.08Å	1.08Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C14	H141	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C18	H182	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C05	H051	sing	1.08Å	1.08Å
C07	H071	sing	1.09Å	1.10Å
C07	H072	sing	1.09Å	1.10Å
C09	H091	sing	1.08Å	1.08Å
N01	H011	sing	0.97Å	1.00Å
N01	H012	sing	0.97Å	1.00Å
O13	H131	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C12	C11	107.0°	109.5°
O13	C12	H121	110.1°	109.5°
O13	C12	H122	110.1°	109.4°
C12	O13	H131	109.5°	114.0°
C12	C11	C14	119.3°	120.0°
C12	C11	C10	120.1°	120.0°
C11	C12	H121	110.1°	109.5°
C11	C12	H122	110.1°	109.5°
C17	C18	C04	111.9°	110.9°
C18	C17	C16	115.8°	121.8°
C18	C17	H171	122.1°	119.1°
C17	C18	H182	108.9°	109.2°
C17	C18	H181	108.9°	109.1°
C18	C04	C02	119.4°	119.4°
C18	C04	C05	119.1°	121.3°
C04	C18	H182	108.9°	109.2°
C04	C18	H181	108.9°	109.2°
C11	C14	C15	119.7°	120.0°
C14	C11	C10	120.7°	120.0°
C11	C14	H141	120.1°	120.0°
C14	C15	C08	120.2°	120.0°
C15	C14	H141	120.1°	120.0°
C14	C15	H151	119.9°	120.0°
O03	C02	C04	120.6°	120.0°
O03	C02	N01	119.9°	120.0°
C11	C10	C09	119.8°	120.0°
C11	C10	H101	120.1°	120.0°
C17	C16	N06	118.3°	120.9°
C17	C16	H161	120.9°	119.5°
C16	C17	H171	122.1°	119.1°
C15	C08	C09	120.0°	120.0°
C15	C08	C07	118.2°	120.0°
C08	C15	H151	119.9°	120.0°
C04	C02	N01	119.5°	120.0°
C02	C04	C05	120.2°	119.3°
C02	N01	H011	120.0°	120.1°
C02	N01	H012	120.0°	120.0°
C04	C05	N06	117.8°	120.4°
C04	C05	H051	121.1°	119.8°
C16	N06	C05	120.4°	120.1°
C16	N06	C07	119.0°	120.0°
N06	C16	H161	120.8°	119.6°
C10	C09	C08	119.6°	120.0°
C09	C10	H101	120.1°	120.0°
C10	C09	H091	120.2°	120.0°
C09	C08	C07	121.8°	120.0°
C08	C09	H091	120.2°	120.0°
C08	C07	N06	104.5°	109.5°
C08	C07	H071	110.7°	109.5°
C08	C07	H072	110.7°	109.5°
C05	N06	C07	120.5°	119.9°
N06	C05	H051	121.1°	119.8°
N06	C07	H071	110.7°	109.5°
N06	C07	H072	110.7°	109.4°
H121	C12	H122	109.5°	109.5°
H182	C18	H181	109.5°	109.1°
H071	C07	H072	109.5°	109.4°
H011	N01	H012	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C12	C11	H121	119.6°	120.0°
O13	C12	C11	H122	119.6°	120.0°
O13	C12	C11	C14	63.0°	90.0°
O13	C12	C11	C10	116.7°	89.9°
O13	C12	H121	H122	121.1°	119.9°
C12	C11	C14	C10	179.8°	179.9°
C12	C11	C14	C15	179.9°	180.0°
C12	C11	C10	C09	179.9°	180.0°
C12	C11	C10	H101	0.1°	0.2°
C11	C12	H121	H122	121.2°	120.0°
C12	C11	C14	H141	0.1°	0.1°
C11	C12	O13	H131	180.0°	180.0°
C17	C18	C04	H182	120.4°	120.4°
C17	C18	C04	H181	120.4°	120.3°
C18	C17	C16	H171	180.0°	179.9°
C17	C18	C04	C02	137.4°	163.9°
C17	C18	C04	C05	29.5°	16.2°
C18	C17	C16	N06	8.9°	0.2°
C18	C17	C16	H161	171.1°	179.5°
C17	C18	H182	H181	118.9°	119.3°
C18	C04	C02	O03	12.3°	180.0°
C04	C18	C17	C16	34.8°	16.1°
C18	C04	C02	C05	166.9°	179.9°
C18	C04	C02	N01	167.7°	0.0°
C18	C04	C05	N06	4.3°	0.4°
C04	C18	C17	H171	145.2°	163.9°
C04	C18	H182	H181	118.9°	119.3°
C18	C04	C05	H051	175.7°	179.6°
C11	C14	C15	H141	180.0°	179.9°
C11	C14	C15	C08	0.2°	0.0°
C14	C11	C10	C09	0.4°	0.1°
C14	C11	C10	H101	179.6°	179.7°
C14	C11	C12	H121	56.6°	30.0°
C14	C11	C12	H122	177.4°	150.0°
C11	C14	C15	H151	179.7°	180.0°
C15	C14	C11	C10	0.3°	0.1°
C14	C15	C08	H151	180.0°	180.0°
C14	C15	C08	C09	0.8°	0.0°
C14	C15	C08	C07	179.7°	180.0°
O03	C02	C04	N01	179.9°	179.9°
O03	C02	C04	C05	179.1°	0.1°
O03	C02	N01	H011	0.0°	179.9°
O03	C02	N01	H012	180.0°	0.0°
C11	C10	C09	H101	180.0°	179.8°
C11	C10	C09	C08	0.3°	0.0°
C10	C11	C12	H121	123.6°	150.0°
C10	C11	C12	H122	2.9°	30.0°
C10	C11	C14	H141	179.6°	180.0°
C11	C10	C09	H091	179.8°	179.8°
C17	C16	N06	H161	180.0°	179.7°
C17	C16	N06	C05	28.1°	17.9°
C17	C16	N06	C07	148.3°	162.0°
C16	C17	C18	H182	85.5°	136.5°
C16	C17	C18	H181	155.2°	104.3°
C15	C08	C09	C10	0.8°	0.0°
C15	C08	C09	C07	178.9°	180.0°
C15	C08	C07	N06	41.6°	90.0°
C08	C15	C14	H141	179.8°	180.0°
C15	C08	C07	H071	77.6°	150.0°
C15	C08	C07	H072	160.8°	30.0°
C15	C08	C09	H091	179.2°	179.7°
C02	C04	C05	N06	171.2°	179.6°
C02	C04	C18	H182	102.2°	43.5°
C02	C04	C18	H181	17.1°	75.8°
C02	C04	C05	H051	8.8°	0.4°
C04	C02	N01	H011	179.9°	0.0°
C04	C02	N01	H012	0.0°	180.0°
N01	C02	C04	C05	0.8°	180.0°
C02	N01	H011	H012	179.9°	180.0°
C04	C05	N06	C16	34.7°	17.6°
C04	C05	N06	H051	180.0°	180.0°
C04	C05	N06	C07	141.7°	162.3°
C05	C04	C18	H182	90.8°	136.6°
C05	C04	C18	H181	149.9°	104.2°
C16	N06	C07	C08	108.0°	89.9°
C16	N06	C05	C07	176.4°	179.8°
N06	C16	C17	H171	171.1°	179.7°
C16	N06	C05	H051	145.3°	162.4°
C16	N06	C07	H071	11.2°	30.1°
C16	N06	C07	H072	132.8°	150.0°
C10	C09	C08	H091	180.0°	179.7°
C10	C09	C08	C07	179.7°	180.0°
C09	C08	C07	N06	137.3°	90.0°
C08	C09	C10	H101	179.8°	179.8°
C09	C08	C15	H151	179.1°	180.0°
C09	C08	C07	H071	103.5°	30.0°
C09	C08	C07	H072	18.1°	150.0°
C08	C07	N06	C05	68.5°	90.2°
C08	C07	N06	H071	119.2°	120.0°
C08	C07	N06	H072	119.2°	120.1°
C07	C08	C15	H151	0.2°	0.0°
C08	C07	H071	H072	122.3°	120.0°
C07	C08	C09	H091	0.3°	0.3°
C05	N06	C16	H161	151.9°	162.5°
C05	N06	C07	H071	172.3°	149.8°
C05	N06	C07	H072	50.7°	29.9°
C07	N06	C16	H161	31.7°	17.7°
C07	N06	C05	H051	38.3°	17.7°
N06	C07	H071	H072	122.3°	119.9°
H101	C10	C09	H091	0.2°	0.1°
H121	C12	O13	H131	60.4°	60.0°
H122	C12	O13	H131	60.4°	60.0°
H141	C14	C15	H151	0.3°	0.0°
H161	C16	C17	H171	8.9°	0.6°
H171	C17	C18	H182	94.5°	43.4°
H171	C17	C18	H181	24.8°	75.8°

Release date:	2024-07-03
Definition date:	2023-09-22
Last modified:	2024-06-28
Release status:	REL
Processing site:	RCSB
Derived from:	8UAR