Q9F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C29	C28	doub	1.38Å	1.39Å	Aromatic
C29	C30	sing	1.38Å	1.39Å	Aromatic
CL31	C30	sing	1.74Å	1.79Å
C28	C27	sing	1.39Å	1.39Å	Aromatic
C30	C32	doub	1.38Å	1.39Å	Aromatic
C27	C26	sing	1.48Å	1.53Å
C27	C33	doub	1.39Å	1.39Å	Aromatic
C32	C33	sing	1.38Å	1.39Å	Aromatic
C26	C25	doub	1.39Å	1.39Å	Aromatic
C26	C22	sing	1.39Å	1.39Å	Aromatic
C25	C23	sing	1.38Å	1.40Å	Aromatic
C22	C05	doub	1.38Å	1.39Å	Aromatic
C23	C04	doub	1.40Å	1.39Å	Aromatic
C23	O24	sing	1.36Å	1.40Å
C05	C04	sing	1.41Å	1.39Å	Aromatic
C05	N06	sing	1.39Å	1.48Å
C04	C02	sing	1.47Å	1.53Å
N06	S07	sing	1.66Å	1.73Å
O03	C02	doub	1.22Å	1.27Å
C02	O01	sing	1.35Å	1.27Å
O08	S07	doub	1.42Å	1.47Å
O21	S07	doub	1.42Å	1.47Å
S07	C09	sing	1.76Å	1.82Å
C09	C10	doub	1.38Å	1.39Å	Aromatic
C09	C20	sing	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C20	C19	doub	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.39Å	Aromatic
C19	C12	sing	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.48Å	1.54Å
C13	C18	doub	1.39Å	1.38Å	Aromatic
C13	C14	sing	1.39Å	1.39Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C17	C16	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C10	H101	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C22	H221	sing	1.08Å	1.08Å
C28	H281	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C25	H251	sing	1.08Å	1.08Å
C29	H291	sing	1.08Å	1.08Å
C32	H321	sing	1.08Å	1.08Å
C33	H331	sing	1.08Å	1.08Å
N06	H061	sing	0.97Å	1.00Å
O01	H1	sing	0.97Å	0.95Å
O24	H241	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C28	C29	C30	119.9°	120.1°
C29	C28	C27	120.1°	119.9°
C29	C28	H281	119.9°	120.1°
C28	C29	H291	120.1°	120.0°
C29	C30	CL31	120.5°	119.9°
C29	C30	C32	120.3°	120.3°
C30	C29	H291	120.1°	120.0°
CL31	C30	C32	119.2°	119.8°
C28	C27	C26	122.3°	120.1°
C28	C27	C33	119.6°	119.8°
C27	C28	H281	119.9°	120.0°
C30	C32	C33	119.7°	120.1°
C30	C32	H321	120.1°	120.0°
C26	C27	C33	118.0°	120.1°
C27	C26	C25	126.2°	119.9°
C27	C26	C22	113.6°	119.8°
C27	C33	C32	120.4°	119.9°
C27	C33	H331	119.8°	120.0°
C33	C32	H321	120.1°	119.9°
C32	C33	H331	119.8°	120.1°
C25	C26	C22	120.3°	120.3°
C26	C25	C23	118.8°	120.2°
C26	C25	H251	120.6°	120.0°
C26	C22	C05	121.3°	120.1°
C26	C22	H221	119.4°	120.0°
C25	C23	C04	120.0°	119.9°
C25	C23	O24	121.8°	120.1°
C23	C25	H251	120.6°	119.9°
C22	C05	C04	118.3°	119.8°
C22	C05	N06	122.1°	120.1°
C05	C22	H221	119.4°	120.0°
C04	C23	O24	118.2°	120.1°
C23	C04	C05	121.5°	119.7°
C23	C04	C02	122.1°	120.1°
C23	O24	H241	109.5°	114.0°
C04	C05	N06	119.6°	120.1°
C05	C04	C02	116.4°	120.1°
C05	N06	S07	125.5°	120.0°
C05	N06	H061	105.3°	120.0°
C04	C02	O03	118.8°	120.0°
C04	C02	O01	119.6°	120.0°
N06	S07	O08	114.6°	106.4°
N06	S07	O21	109.3°	106.4°
N06	S07	C09	112.3°	107.3°
S07	N06	H061	105.3°	120.0°
O03	C02	O01	121.6°	119.9°
C02	O01	H1	109.5°	117.1°
O08	S07	O21	101.3°	123.1°
O08	S07	C09	109.7°	106.4°
O21	S07	C09	109.2°	106.4°
S07	C09	C10	121.9°	119.8°
S07	C09	C20	118.5°	119.9°
C10	C09	C20	119.6°	120.3°
C09	C10	C11	119.9°	120.1°
C09	C10	H101	120.0°	120.0°
C09	C20	C19	120.5°	120.1°
C09	C20	H201	119.7°	119.9°
C10	C11	C12	120.5°	119.9°
C11	C10	H101	120.0°	120.0°
C10	C11	H111	119.8°	120.0°
C20	C19	C12	120.2°	119.9°
C19	C20	H201	119.8°	120.0°
C20	C19	H191	119.9°	120.0°
C11	C12	C19	119.3°	119.8°
C11	C12	C13	121.7°	120.2°
C12	C11	H111	119.8°	120.0°
C19	C12	C13	119.0°	120.1°
C12	C19	H191	119.9°	120.1°
C12	C13	C18	122.8°	120.2°
C12	C13	C14	117.8°	120.1°
C18	C13	C14	119.3°	119.7°
C13	C18	C17	119.6°	119.9°
C13	C18	H181	120.2°	120.1°
C13	C14	C15	121.3°	119.8°
C13	C14	H141	119.3°	120.0°
C18	C17	C16	120.9°	120.1°
C18	C17	H171	119.6°	120.0°
C17	C18	H181	120.2°	120.0°
C14	C15	C16	119.2°	120.1°
C14	C15	H151	120.4°	119.9°
C15	C14	H141	119.3°	120.1°
C17	C16	C15	119.6°	120.3°
C16	C17	H171	119.6°	119.9°
C17	C16	H161	120.2°	119.9°
C16	C15	H151	120.4°	120.0°
C15	C16	H161	120.2°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C28	C29	C30	H291	180.0°	180.0°
C28	C29	C30	CL31	179.5°	180.0°
C29	C28	C27	H281	180.0°	179.7°
C28	C29	C30	C32	0.2°	0.0°
C29	C28	C27	C26	177.6°	179.7°
C29	C28	C27	C33	1.6°	0.2°
C29	C30	CL31	C32	179.3°	180.0°
C30	C29	C28	C27	0.4°	0.0°
C29	C30	C32	C33	0.3°	0.2°
C30	C29	C28	H281	179.6°	179.7°
C29	C30	C32	H321	179.8°	180.0°
CL31	C30	C32	C33	179.1°	179.8°
CL31	C30	C29	H291	0.5°	0.0°
CL31	C30	C32	H321	0.9°	0.0°
C28	C27	C26	C33	176.0°	180.0°
C28	C27	C33	C32	2.1°	0.5°
C28	C27	C26	C25	83.9°	0.0°
C28	C27	C26	C22	96.4°	180.0°
C27	C28	C29	H291	179.5°	180.0°
C28	C27	C33	H331	178.0°	180.0°
C30	C32	C33	C27	1.4°	0.5°
C30	C32	C33	H321	180.0°	179.8°
C32	C30	C29	H291	179.8°	180.0°
C30	C32	C33	H331	178.6°	180.0°
C26	C27	C33	C32	178.2°	179.5°
C27	C26	C25	C22	179.7°	179.9°
C27	C26	C25	C23	179.6°	180.0°
C27	C26	C22	C05	179.2°	180.0°
C27	C26	C22	H221	0.8°	0.3°
C26	C27	C28	H281	2.5°	0.0°
C27	C26	C25	H251	0.4°	0.0°
C26	C27	C33	H331	1.8°	0.1°
C27	C33	C32	H331	180.0°	179.6°
C33	C27	C26	C25	100.0°	180.0°
C33	C27	C26	C22	79.7°	0.1°
C33	C27	C28	H281	178.5°	180.0°
C27	C33	C32	H321	178.6°	179.8°
C26	C25	C23	H251	180.0°	180.0°
C25	C26	C22	C05	0.5°	0.0°
C26	C25	C23	C04	0.1°	0.3°
C26	C25	C23	O24	179.6°	179.7°
C25	C26	C22	H221	179.5°	179.7°
C22	C26	C25	C23	0.1°	0.0°
C26	C22	C05	H221	180.0°	179.7°
C26	C22	C05	C04	0.7°	0.3°
C26	C22	C05	N06	179.1°	179.7°
C22	C26	C25	H251	179.9°	180.0°
C25	C23	C04	O24	179.6°	180.0°
C25	C23	C04	C05	0.1°	0.5°
C25	C23	C04	C02	179.3°	180.0°
C25	C23	O24	H241	161.3°	90.0°
C22	C05	C04	C23	0.5°	0.5°
C22	C05	C04	N06	178.4°	179.9°
C22	C05	C04	C02	179.0°	180.0°
C22	C05	N06	S07	71.6°	35.6°
C22	C05	N06	H061	50.6°	144.5°
C23	C04	C05	C02	179.5°	179.5°
C23	C04	C05	N06	179.0°	179.4°
C23	C04	C02	O03	55.8°	90.5°
C23	C04	C02	O01	126.0°	89.4°
C04	C23	C25	H251	179.9°	179.7°
C04	C23	O24	H241	19.2°	90.0°
O24	C23	C04	C05	179.4°	179.5°
O24	C23	C04	C02	1.1°	0.0°
O24	C23	C25	H251	0.4°	0.3°
C04	C05	N06	S07	110.0°	144.5°
C05	C04	C02	O03	123.7°	90.0°
C05	C04	C02	O01	54.5°	90.0°
C04	C05	C22	H221	179.2°	180.0°
C04	C05	N06	H061	127.8°	35.4°
N06	C05	C04	C02	0.5°	0.1°
C05	N06	S07	H061	122.2°	179.9°
C05	N06	S07	O08	58.4°	53.3°
C05	N06	S07	O21	171.1°	173.8°
C05	N06	S07	C09	67.6°	60.3°
N06	C05	C22	H221	0.8°	0.0°
C04	C02	O03	O01	178.1°	180.0°
C04	C02	O01	H1	178.1°	180.0°
N06	S07	O08	O21	117.5°	122.9°
N06	S07	O08	C09	127.3°	114.1°
N06	S07	O21	C09	123.1°	114.1°
N06	S07	C09	C10	65.0°	90.0°
N06	S07	C09	C20	115.5°	90.0°
O03	C02	O01	H1	0.0°	0.0°
O08	S07	O21	C09	115.6°	122.9°
O08	S07	C09	C10	63.5°	156.5°
O08	S07	C09	C20	116.0°	23.6°
O08	S07	N06	H061	63.8°	126.8°
O21	S07	C09	C10	173.6°	23.6°
O21	S07	C09	C20	5.9°	156.4°
O21	S07	N06	H061	49.0°	6.1°
S07	C09	C10	C20	179.5°	180.0°
S07	C09	C10	C11	179.8°	180.0°
S07	C09	C20	C19	179.9°	179.5°
S07	C09	C10	H101	0.3°	0.3°
S07	C09	C20	H201	0.1°	0.3°
C09	S07	N06	H061	170.2°	119.6°
C09	C10	C11	H101	180.0°	179.7°
C10	C09	C20	C19	0.6°	0.6°
C09	C10	C11	C12	0.6°	0.3°
C10	C09	C20	H201	179.4°	179.7°
C09	C10	C11	H111	179.4°	179.7°
C20	C09	C10	C11	0.3°	0.0°
C09	C20	C19	H201	180.0°	179.1°
C09	C20	C19	C12	0.1°	0.8°
C20	C09	C10	H101	179.8°	179.7°
C09	C20	C19	H191	179.9°	180.0°
C10	C11	C12	H111	180.0°	180.0°
C10	C11	C12	C19	1.1°	0.0°
C10	C11	C12	C13	178.8°	180.0°
C20	C19	C12	C11	0.8°	0.5°
C20	C19	C12	H191	180.0°	179.2°
C20	C19	C12	C13	178.5°	179.4°
C11	C12	C19	C13	177.7°	180.0°
C11	C12	C13	C18	112.0°	180.0°
C11	C12	C13	C14	69.6°	0.3°
C12	C11	C10	H101	179.4°	180.0°
C11	C12	C19	H191	179.2°	179.7°
C19	C12	C13	C18	70.4°	0.0°
C19	C12	C13	C14	108.1°	179.7°
C12	C19	C20	H201	179.9°	180.0°
C19	C12	C11	H111	178.9°	180.0°
C12	C13	C18	C14	178.4°	179.7°
C12	C13	C18	C17	179.3°	179.7°
C12	C13	C14	C15	179.1°	179.7°
C13	C12	C11	H111	1.3°	0.1°
C12	C13	C14	H141	0.9°	0.4°
C12	C13	C18	H181	0.8°	0.3°
C13	C12	C19	H191	1.5°	0.2°
C13	C18	C17	H181	180.0°	180.0°
C18	C13	C14	C15	0.6°	0.1°
C13	C18	C17	C16	0.6°	0.0°
C13	C18	C17	H171	179.4°	180.0°
C18	C13	C14	H141	179.4°	180.0°
C14	C13	C18	C17	0.8°	0.0°
C13	C14	C15	H141	180.0°	179.9°
C13	C14	C15	C16	0.2°	0.1°
C13	C14	C15	H151	179.8°	179.9°
C14	C13	C18	H181	179.2°	179.9°
C18	C17	C16	H171	180.0°	180.0°
C18	C17	C16	C15	0.2°	0.1°
C18	C17	C16	H161	179.8°	180.0°
C14	C15	C16	C17	0.0°	0.1°
C14	C15	C16	H151	180.0°	180.0°
C14	C15	C16	H161	180.0°	180.0°
C17	C16	C15	H161	180.0°	180.0°
C17	C16	C15	H151	180.0°	179.9°
C16	C17	C18	H181	179.4°	179.9°
C15	C16	C17	H171	179.8°	180.0°
C16	C15	C14	H141	179.8°	180.0°
H101	C10	C11	H111	0.6°	0.1°
H151	C15	C14	H141	0.2°	0.0°
H151	C15	C16	H161	0.0°	0.0°
H171	C17	C16	H161	0.2°	0.0°
H171	C17	C18	H181	0.6°	0.1°
H201	C20	C19	H191	0.1°	0.9°
H281	C28	C29	H291	0.4°	0.3°
H321	C32	C33	H331	1.4°	0.2°

Release date:	2024-03-27
Definition date:	2023-03-28
Last modified:	2024-03-22
Release status:	REL
Processing site:	PDBJ
Derived from:	8IT7