WNF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.49Å
C02	C03	sing	1.53Å	1.50Å
C03	C04	sing	1.53Å	1.54Å
C04	C05	sing	1.53Å	1.52Å
C01	C06	sing	1.53Å	1.48Å
C05	C06	sing	1.53Å	1.51Å
C05	C07	sing	1.51Å	1.51Å
C07	O08	doub	1.21Å	1.29Å
C07	O09	sing	1.34Å	1.26Å
C04	C10	sing	1.53Å	1.54Å
C10	O13	sing	1.43Å	1.42Å
O13	C14	sing	1.36Å	1.41Å
C14	C15	doub	1.39Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.41Å	Aromatic
C17	C18	sing	1.38Å	1.40Å	Aromatic
C14	C19	sing	1.39Å	1.36Å	Aromatic
C18	C19	doub	1.38Å	1.39Å	Aromatic
C16	C20	sing	1.51Å	1.51Å
C01	H22	sing	1.09Å	1.10Å
C01	H21	sing	1.09Å	1.10Å
C02	H23	sing	1.09Å	1.10Å
C02	H24	sing	1.09Å	1.10Å
C04	H12	sing	1.09Å	1.10Å
C05	H11	sing	1.09Å	1.10Å
C06	H27	sing	1.09Å	1.10Å
C06	H28	sing	1.09Å	1.10Å
C10	H30	sing	1.09Å	1.10Å
C10	H31	sing	1.09Å	1.10Å
C15	H32	sing	1.08Å	1.08Å
C17	H33	sing	1.08Å	1.08Å
C18	H34	sing	1.08Å	1.08Å
C19	H35	sing	1.08Å	1.08Å
C20	H36	sing	1.09Å	1.10Å
C20	H37	sing	1.09Å	1.10Å
C20	H38	sing	1.09Å	1.10Å
C03	H25	sing	1.09Å	1.10Å
C03	H26	sing	1.09Å	1.10Å
O09	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	113.2°	109.5°
C02	C01	C06	109.3°	109.5°
C02	C01	H22	109.5°	109.5°
C02	C01	H21	109.5°	109.4°
C01	C02	H23	108.5°	109.5°
C01	C02	H24	108.5°	109.5°
C02	C03	C04	112.5°	109.5°
C03	C02	H23	108.6°	109.4°
C03	C02	H24	108.5°	109.5°
C02	C03	H25	108.7°	109.5°
C02	C03	H26	108.7°	109.4°
C03	C04	C05	109.5°	109.5°
C03	C04	C10	109.5°	109.5°
C03	C04	H12	108.3°	109.4°
C04	C03	H25	108.7°	109.5°
C04	C03	H26	108.7°	109.4°
C04	C05	C06	112.1°	109.5°
C04	C05	C07	108.1°	109.4°
C05	C04	C10	112.7°	109.5°
C05	C04	H12	108.5°	109.5°
C04	C05	H11	106.3°	109.4°
C01	C06	C05	112.9°	109.4°
C06	C01	H22	109.5°	109.5°
C06	C01	H21	109.5°	109.5°
C01	C06	H27	108.6°	109.4°
C01	C06	H28	108.6°	109.5°
C06	C05	C07	116.8°	109.5°
C06	C05	H11	106.4°	109.5°
C05	C06	H27	108.6°	109.4°
C05	C06	H28	108.6°	109.5°
C05	C07	O08	118.4°	120.0°
C05	C07	O09	119.0°	119.9°
C07	C05	H11	106.5°	109.5°
O08	C07	O09	122.4°	120.0°
C07	O09	H1	109.5°	117.0°
C04	C10	O13	107.7°	109.5°
C10	C04	H12	108.2°	109.4°
C04	C10	H30	109.9°	109.4°
C04	C10	H31	109.9°	109.5°
C10	O13	C14	119.8°	117.0°
O13	C10	H30	109.9°	109.5°
O13	C10	H31	109.9°	109.5°
O13	C14	C15	123.7°	120.1°
O13	C14	C19	116.9°	120.1°
C14	C15	C16	119.6°	120.0°
C15	C14	C19	119.4°	119.9°
C14	C15	H32	120.2°	120.1°
C15	C16	C17	121.5°	120.0°
C15	C16	C20	117.0°	120.0°
C16	C15	H32	120.2°	120.0°
C16	C17	C18	117.6°	120.2°
C17	C16	C20	121.5°	120.0°
C16	C17	H33	121.2°	119.9°
C17	C18	C19	119.4°	120.0°
C18	C17	H33	121.2°	120.0°
C17	C18	H34	120.3°	120.0°
C14	C19	C18	122.2°	120.0°
C14	C19	H35	118.9°	120.0°
C19	C18	H34	120.3°	120.0°
C18	C19	H35	118.9°	120.0°
C16	C20	H36	109.5°	109.5°
C16	C20	H37	109.5°	109.5°
C16	C20	H38	109.4°	109.5°
H22	C01	H21	109.5°	109.4°
H23	C02	H24	109.5°	109.5°
H27	C06	H28	109.5°	109.5°
H30	C10	H31	109.5°	109.4°
H36	C20	H37	109.5°	109.4°
H36	C20	H38	109.5°	109.5°
H37	C20	H38	109.5°	109.4°
H25	C03	H26	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	H23	120.5°	120.0°
C01	C02	C03	H24	120.5°	120.1°
C01	C02	C03	C04	54.5°	59.9°
C02	C01	C06	H22	120.0°	120.0°
C02	C01	C06	H21	120.0°	120.0°
C02	C01	C06	C05	56.9°	60.0°
C02	C01	H22	H21	120.1°	120.0°
C01	C02	H23	H24	118.3°	120.1°
C02	C01	C06	H27	63.6°	180.0°
C02	C01	C06	H28	177.4°	60.0°
C01	C02	C03	H25	66.0°	180.0°
C01	C02	C03	H26	174.9°	60.0°
C02	C03	C04	H25	120.5°	120.1°
C02	C03	C04	H26	120.4°	120.0°
C02	C03	C04	C05	50.8°	59.9°
C03	C02	C01	C06	56.1°	60.0°
C02	C03	C04	C10	73.2°	180.0°
C03	C02	C01	H22	176.0°	60.0°
C03	C02	C01	H21	63.9°	180.0°
C03	C02	H23	H24	118.3°	119.9°
C02	C03	C04	H12	169.0°	60.0°
C02	C03	H25	H26	118.6°	120.0°
C03	C04	C05	C10	122.2°	120.1°
C03	C04	C05	H12	118.0°	120.0°
C03	C04	C05	C06	51.5°	60.0°
C03	C04	C05	C07	178.4°	60.0°
C03	C04	C10	H12	117.8°	120.0°
C03	C04	C10	O13	82.2°	65.0°
C04	C03	C02	H23	175.0°	60.0°
C04	C03	C02	H24	66.0°	180.0°
C03	C04	C05	H11	64.4°	180.0°
C03	C04	C10	H30	37.5°	55.1°
C03	C04	C10	H31	158.0°	175.0°
C04	C03	H25	H26	118.6°	120.0°
C04	C05	C06	C01	56.6°	60.0°
C04	C05	C06	C07	125.5°	120.0°
C04	C05	C06	H11	115.8°	119.9°
C04	C05	C07	H11	113.9°	120.0°
C04	C05	C07	O08	129.5°	0.0°
C04	C05	C07	O09	45.1°	180.0°
C05	C04	C10	H12	120.0°	120.0°
C05	C04	C10	O13	155.6°	175.0°
C04	C05	C06	H27	63.9°	180.0°
C04	C05	C06	H28	177.2°	60.0°
C05	C04	C10	H30	84.7°	65.0°
C05	C04	C10	H31	35.9°	54.9°
C05	C04	C03	H25	69.7°	180.0°
C05	C04	C03	H26	171.2°	60.0°
C01	C06	C05	H27	120.5°	119.9°
C01	C06	C05	H28	120.5°	120.0°
C01	C06	C05	C07	177.9°	59.9°
C06	C01	H22	H21	120.1°	120.0°
C06	C01	C02	H23	176.6°	60.0°
C06	C01	C02	H24	64.5°	180.0°
C01	C06	C05	H11	59.2°	180.0°
C01	C06	H27	H28	118.4°	120.0°
C06	C05	C07	H11	118.6°	120.0°
C06	C05	C07	O08	2.1°	120.0°
C06	C05	C07	O09	172.5°	60.0°
C06	C05	C04	C10	70.7°	180.0°
C05	C06	C01	H22	176.9°	60.0°
C05	C06	C01	H21	63.1°	180.0°
C06	C05	C04	H12	169.5°	60.0°
C05	C06	H27	H28	118.4°	120.1°
C05	C07	O08	O09	174.4°	180.0°
C07	C05	C04	C10	59.4°	60.0°
C07	C05	C04	H12	60.3°	180.0°
C07	C05	C06	H27	61.6°	60.0°
C07	C05	C06	H28	57.4°	179.9°
C05	C07	O09	H1	174.4°	180.0°
O08	C07	C05	H11	116.6°	119.9°
O08	C07	O09	H1	0.0°	0.0°
O09	C07	C05	H11	68.8°	60.0°
C04	C10	O13	H30	119.7°	120.0°
C04	C10	O13	H31	119.7°	120.0°
C04	C10	O13	C14	170.3°	180.0°
C10	C04	C05	H11	173.4°	60.0°
C04	C10	H30	H31	120.8°	120.0°
C10	C04	C03	H25	166.3°	59.9°
C10	C04	C03	H26	47.2°	60.0°
C10	O13	C14	C15	4.5°	180.0°
C10	O13	C14	C19	174.9°	0.5°
O13	C10	C04	H12	35.6°	55.0°
O13	C10	H30	H31	120.8°	120.0°
O13	C14	C15	C19	179.3°	179.6°
O13	C14	C15	C16	178.7°	180.0°
O13	C14	C19	C18	179.0°	180.0°
C14	O13	C10	H30	70.0°	60.0°
C14	O13	C10	H31	50.5°	60.0°
O13	C14	C15	H32	1.3°	0.2°
O13	C14	C19	H35	1.0°	0.1°
C14	C15	C16	H32	180.0°	179.8°
C14	C15	C16	C17	0.7°	0.2°
C15	C14	C19	C18	1.6°	0.5°
C14	C15	C16	C20	177.1°	179.8°
C15	C14	C19	H35	178.4°	179.7°
C15	C16	C17	C20	176.3°	179.9°
C15	C16	C17	C18	4.2°	0.1°
C16	C15	C14	C19	0.7°	0.4°
C15	C16	C17	H33	175.8°	180.0°
C15	C16	C20	H36	88.4°	90.0°
C15	C16	C20	H37	151.6°	150.0°
C15	C16	C20	H38	31.6°	30.1°
C16	C17	C18	H33	180.0°	179.9°
C16	C17	C18	C19	6.3°	0.0°
C17	C16	C15	H32	179.3°	179.9°
C16	C17	C18	H34	173.7°	179.9°
C17	C16	C20	H36	88.1°	89.9°
C17	C16	C20	H37	31.9°	30.0°
C17	C16	C20	H38	151.9°	149.9°
C17	C18	C19	C14	5.2°	0.2°
C17	C18	C19	H34	180.0°	179.9°
C18	C17	C16	C20	179.5°	180.0°
C17	C18	C19	H35	174.8°	179.9°
C14	C19	C18	H35	180.0°	179.8°
C19	C14	C15	H32	179.3°	179.8°
C14	C19	C18	H34	174.8°	179.8°
C19	C18	C17	H33	173.7°	180.0°
C20	C16	C15	H32	2.8°	0.0°
C20	C16	C17	H33	0.5°	0.1°
C16	C20	H36	H37	120.0°	120.0°
C16	C20	H36	H38	120.0°	120.1°
C16	C20	H37	H38	120.0°	120.0°
H22	C01	C02	H23	63.4°	180.0°
H22	C01	C02	H24	55.5°	60.0°
H22	C01	C06	H27	56.4°	60.0°
H22	C01	C06	H28	62.6°	180.0°
H21	C01	C02	H23	56.7°	60.0°
H21	C01	C02	H24	175.5°	60.0°
H21	C01	C06	H27	176.4°	60.0°
H21	C01	C06	H28	57.4°	60.0°
H23	C02	C03	H25	54.6°	60.0°
H23	C02	C03	H26	64.5°	180.0°
H24	C02	C03	H25	173.5°	59.9°
H24	C02	C03	H26	54.4°	60.1°
H12	C04	C05	H11	53.6°	60.0°
H12	C04	C10	H30	155.3°	175.0°
H12	C04	C10	H31	84.1°	65.0°
H12	C04	C03	H25	48.5°	60.0°
H12	C04	C03	H26	70.6°	180.0°
H11	C05	C06	H27	179.7°	60.1°
H11	C05	C06	H28	61.3°	60.0°
H33	C17	C18	H34	6.3°	0.0°
H34	C18	C19	H35	5.2°	0.0°
H36	C20	H37	H38	120.0°	120.0°

Release date:	2023-06-14
Definition date:	2023-05-15
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7G1C