A1BY4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	doub	1.22Å	1.17Å
C03	C02	sing	1.42Å	1.47Å
C05	C04	doub	1.39Å	1.40Å	Aromatic
N06	C05	sing	1.32Å	1.33Å	Aromatic
C07	N06	doub	1.31Å	1.33Å	Aromatic
C08	C07	sing	1.40Å	1.43Å	Aromatic
C09	C08	doub	1.42Å	1.37Å	Aromatic
C10	C09	sing	1.40Å	1.43Å	Aromatic
C11	C10	doub	1.36Å	1.40Å	Aromatic
C12	C11	sing	1.39Å	1.40Å	Aromatic
C13	C12	doub	1.36Å	1.39Å	Aromatic
C04	C03	sing	1.48Å	1.52Å
C14	C03	doub	1.39Å	1.48Å
O15	C14	sing	1.35Å	1.39Å
N16	C14	sing	1.36Å	1.46Å
C17	N16	sing	1.38Å	1.51Å
C18	C17	doub	1.40Å	1.42Å	Aromatic
C19	C18	sing	1.40Å	1.40Å	Aromatic
C20	C19	doub	1.38Å	1.40Å	Aromatic
F22	C21	sing	1.40Å	1.36Å
F23	C21	sing	1.40Å	1.36Å
F24	C21	sing	1.40Å	1.35Å
C21	C20	sing	1.51Å	1.53Å
C25	C20	sing	1.39Å	1.41Å	Aromatic
C26	C25	doub	1.39Å	1.39Å	Aromatic
C27	C26	sing	1.48Å	1.52Å
C28	C27	doub	1.40Å	1.38Å	Aromatic
C29	C28	sing	1.38Å	1.39Å	Aromatic
C30	C29	doub	1.39Å	1.39Å	Aromatic
N31	C30	sing	1.39Å	1.44Å
N32	C30	sing	1.32Å	1.31Å	Aromatic
C33	N32	doub	1.32Å	1.32Å	Aromatic
C02	C18	sing	1.47Å	1.52Å
C04	C09	sing	1.42Å	1.42Å	Aromatic
C08	C13	sing	1.40Å	1.43Å	Aromatic
C17	C26	sing	1.40Å	1.40Å	Aromatic
C27	C33	sing	1.39Å	1.39Å	Aromatic
C13	H6	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C05	H1	sing	1.08Å	1.08Å
C07	H2	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C25	H10	sing	1.08Å	1.08Å
C28	H11	sing	1.08Å	1.08Å
C29	H12	sing	1.08Å	1.08Å
C33	H15	sing	1.08Å	1.08Å
N16	H8	sing	0.97Å	1.00Å
N31	H14	sing	0.97Å	1.00Å
N31	H13	sing	0.97Å	1.00Å
O15	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	121.1°	121.0°
O01	C02	C18	118.8°	121.0°
C02	C03	C04	120.1°	120.2°
C02	C03	C14	119.7°	119.6°
C03	C02	C18	120.0°	117.9°
C04	C05	N06	121.9°	121.4°
C05	C04	C03	118.3°	120.8°
C05	C04	C09	119.8°	118.4°
C04	C05	H1	119.1°	119.3°
C05	N06	C07	119.2°	123.0°
N06	C05	H1	119.1°	119.3°
N06	C07	C08	122.6°	120.3°
N06	C07	H2	118.7°	119.8°
C07	C08	C09	118.9°	118.8°
C07	C08	C13	121.4°	121.9°
C08	C07	H2	118.7°	119.8°
C08	C09	C10	120.7°	119.7°
C08	C09	C04	117.5°	118.1°
C09	C08	C13	119.7°	119.3°
C09	C10	C11	119.1°	119.5°
C10	C09	C04	121.7°	122.2°
C09	C10	H3	120.5°	120.3°
C10	C11	C12	120.5°	121.0°
C10	C11	H4	119.8°	119.5°
C11	C10	H3	120.4°	120.2°
C11	C12	C13	119.9°	121.0°
C11	C12	H5	120.0°	119.5°
C12	C11	H4	119.7°	119.5°
C12	C13	C08	120.0°	119.5°
C12	C13	H6	120.0°	120.2°
C13	C12	H5	120.1°	119.5°
C04	C03	C14	120.1°	120.2°
C03	C04	C09	121.9°	120.8°
C03	C14	O15	120.7°	119.1°
C03	C14	N16	119.8°	121.9°
O15	C14	N16	119.5°	119.0°
C14	O15	H7	109.5°	114.0°
C14	N16	C17	120.3°	121.8°
C14	N16	H8	119.9°	119.1°
N16	C17	C18	120.3°	120.0°
N16	C17	C26	120.2°	120.7°
C17	N16	H8	119.8°	119.1°
C17	C18	C19	120.8°	120.1°
C17	C18	C02	119.9°	118.8°
C18	C17	C26	119.5°	119.3°
C18	C19	C20	119.2°	119.9°
C19	C18	C02	119.4°	121.1°
C18	C19	H9	120.4°	120.0°
C19	C20	C21	121.2°	119.7°
C19	C20	C25	120.1°	120.5°
C20	C19	H9	120.4°	120.1°
F22	C21	F23	108.5°	109.5°
F22	C21	F24	111.3°	109.5°
F22	C21	C20	113.3°	109.5°
F23	C21	F24	106.3°	109.5°
F23	C21	C20	106.3°	109.4°
F24	C21	C20	110.7°	109.5°
C21	C20	C25	118.6°	119.7°
C20	C25	C26	120.7°	120.5°
C20	C25	H10	119.7°	119.8°
C25	C26	C27	116.4°	120.2°
C25	C26	C17	119.7°	119.6°
C26	C25	H10	119.7°	119.7°
C26	C27	C28	124.9°	120.5°
C27	C26	C17	123.5°	120.2°
C26	C27	C33	114.8°	120.4°
C27	C28	C29	116.6°	118.4°
C28	C27	C33	119.8°	119.1°
C27	C28	H11	121.7°	120.8°
C28	C29	C30	120.5°	119.3°
C29	C28	H11	121.7°	120.8°
C28	C29	H12	119.7°	120.3°
C29	C30	N31	120.7°	119.6°
C29	C30	N32	120.5°	120.9°
C30	C29	H12	119.7°	120.4°
N31	C30	N32	118.8°	119.6°
C30	N31	H14	109.5°	120.0°
C30	N31	H13	109.5°	120.0°
C30	N32	C33	121.0°	121.8°
N32	C33	C27	121.5°	120.6°
N32	C33	H15	119.3°	119.7°
C08	C13	H6	120.0°	120.3°
C27	C33	H15	119.2°	119.7°
H14	N31	H13	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	C18	177.7°	180.0°
O01	C02	C03	C04	3.8°	0.0°
O01	C02	C03	C14	178.3°	180.0°
O01	C02	C18	C17	178.0°	180.0°
O01	C02	C18	C19	2.4°	0.0°
C02	C03	C04	C05	65.4°	75.0°
C02	C03	C04	C14	177.9°	180.0°
C02	C03	C14	O15	179.5°	180.0°
C02	C03	C14	N16	1.1°	0.0°
C03	C02	C18	C17	0.2°	0.0°
C03	C02	C18	C19	179.8°	180.0°
C02	C03	C04	C09	115.5°	105.0°
C04	C05	N06	H1	180.0°	180.0°
C04	C05	N06	C07	0.1°	0.3°
C05	C04	C09	C08	0.7°	0.3°
C05	C04	C09	C10	179.7°	180.0°
C05	C04	C03	C09	179.0°	180.0°
C05	C04	C03	C14	112.4°	105.0°
C05	N06	C07	C08	0.4°	0.4°
N06	C05	C04	C03	179.7°	180.0°
N06	C05	C04	C09	0.6°	0.0°
C05	N06	C07	H2	179.6°	180.0°
N06	C07	C08	H2	180.0°	179.7°
N06	C07	C08	C09	0.3°	0.1°
N06	C07	C08	C13	180.0°	179.4°
C07	N06	C05	H1	179.9°	179.7°
C07	C08	C09	C13	179.7°	179.5°
C07	C08	C09	C10	179.8°	180.0°
C07	C08	C13	C12	180.0°	180.0°
C07	C08	C09	C04	0.3°	0.2°
C07	C08	C13	H6	0.0°	0.3°
C08	C09	C10	C04	179.5°	179.7°
C08	C09	C10	C11	0.2°	0.3°
C09	C08	C13	C12	0.4°	0.5°
C08	C09	C04	C03	179.7°	179.8°
C09	C08	C13	H6	179.6°	179.8°
C08	C09	C10	H3	179.8°	179.8°
C09	C08	C07	H2	179.7°	179.7°
C09	C10	C11	H3	180.0°	179.9°
C09	C10	C11	C12	0.4°	0.1°
C10	C09	C04	C03	0.7°	0.0°
C10	C09	C08	C13	0.2°	0.5°
C09	C10	C11	H4	179.6°	180.0°
C10	C11	C12	H4	180.0°	180.0°
C10	C11	C12	C13	0.6°	0.0°
C11	C10	C09	C04	179.3°	180.0°
C10	C11	C12	H5	179.4°	180.0°
C11	C12	C13	H5	180.0°	179.9°
C11	C12	C13	C08	0.6°	0.3°
C11	C12	C13	H6	179.4°	180.0°
C12	C11	C10	H3	179.6°	180.0°
C12	C13	C08	H6	180.0°	179.7°
C13	C12	C11	H4	179.4°	180.0°
C04	C03	C14	O15	1.7°	0.1°
C04	C03	C14	N16	179.0°	180.0°
C04	C03	C02	C18	178.5°	180.0°
C03	C04	C05	H1	0.3°	0.0°
C03	C14	O15	N16	179.3°	180.0°
C03	C14	N16	C17	1.3°	0.0°
C14	C03	C02	C18	0.6°	0.0°
C14	C03	C04	C09	66.6°	74.9°
C03	C14	N16	H8	178.7°	179.7°
C03	C14	O15	H7	180.0°	180.0°
O15	C14	N16	C17	179.4°	180.0°
O15	C14	N16	H8	0.6°	0.4°
C14	N16	C17	H8	180.0°	179.7°
C14	N16	C17	C18	0.9°	0.0°
C14	N16	C17	C26	178.3°	179.8°
N16	C14	O15	H7	0.7°	0.0°
N16	C17	C18	C26	179.2°	179.8°
N16	C17	C18	C19	180.0°	180.0°
N16	C17	C26	C25	178.3°	179.8°
N16	C17	C26	C27	5.6°	0.1°
N16	C17	C18	C02	0.4°	0.0°
C17	C18	C19	C02	179.6°	180.0°
C17	C18	C19	C20	0.6°	0.0°
C18	C17	C26	C25	2.5°	0.4°
C18	C17	C26	C27	175.2°	179.7°
C17	C18	C19	H9	179.4°	180.0°
C18	C17	N16	H8	179.1°	179.7°
C18	C19	C20	H9	180.0°	180.0°
C18	C19	C20	C21	178.7°	180.0°
C18	C19	C20	C25	0.3°	0.1°
C19	C18	C17	C26	0.8°	0.2°
C19	C20	C21	F22	129.4°	0.0°
C19	C20	C21	F23	111.5°	120.1°
C19	C20	C21	F24	3.6°	120.0°
C19	C20	C21	C25	178.4°	179.9°
C19	C20	C25	C26	1.5°	0.2°
C20	C19	C18	C02	179.8°	180.0°
C19	C20	C25	H10	178.5°	180.0°
F22	C21	F23	F24	119.8°	120.0°
F22	C21	F23	C20	122.2°	120.0°
F22	C21	F24	C20	126.9°	120.0°
F22	C21	C20	C25	52.1°	180.0°
F23	C21	F24	C20	115.1°	119.9°
F23	C21	C20	C25	67.0°	60.0°
F24	C21	C20	C25	177.9°	60.0°
C21	C20	C25	C26	176.9°	179.8°
C21	C20	C19	H9	1.3°	0.0°
C21	C20	C25	H10	3.0°	0.0°
C20	C25	C26	H10	180.0°	179.8°
C20	C25	C26	C27	176.1°	179.7°
C20	C25	C26	C17	2.9°	0.4°
C25	C20	C19	H9	179.7°	180.0°
C25	C26	C27	C17	172.9°	179.9°
C25	C26	C27	C28	48.0°	49.9°
C25	C26	C27	C33	123.6°	129.8°
C26	C27	C28	C33	171.2°	179.7°
C26	C27	C28	C29	175.8°	179.9°
C26	C27	C33	N32	177.0°	179.8°
C27	C26	C25	H10	3.9°	0.1°
C26	C27	C28	H11	4.2°	0.0°
C26	C27	C33	H15	3.0°	0.1°
C27	C28	C29	H11	180.0°	179.9°
C27	C28	C29	C30	2.4°	0.1°
C28	C27	C33	N32	5.0°	0.5°
C28	C27	C26	C17	139.1°	130.2°
C27	C28	C29	H12	177.6°	180.0°
C28	C27	C33	H15	175.0°	179.7°
C28	C29	C30	H12	180.0°	179.9°
C28	C29	C30	N31	179.6°	179.9°
C28	C29	C30	N32	0.2°	0.0°
C29	C28	C27	C33	4.6°	0.2°
C29	C30	N31	N32	179.8°	180.0°
C29	C30	N32	C33	0.3°	0.3°
C30	C29	C28	H11	177.6°	180.0°
C29	C30	N31	H14	179.7°	0.0°
C29	C30	N31	H13	60.2°	180.0°
N31	C30	N32	C33	179.4°	179.7°
N31	C30	C29	H12	0.5°	0.0°
C30	N31	H14	H13	120.0°	179.9°
C30	N32	C33	C27	2.7°	0.6°
N32	C30	C29	H12	179.8°	180.0°
C30	N32	C33	H15	177.3°	179.7°
N32	C30	N31	H14	0.0°	180.0°
N32	C30	N31	H13	120.0°	0.1°
N32	C33	C27	H15	180.0°	179.7°
C02	C18	C17	C26	178.8°	179.8°
C02	C18	C19	H9	0.3°	0.0°
C04	C09	C08	C13	179.4°	179.8°
C04	C09	C10	H3	0.7°	0.1°
C09	C04	C05	H1	179.4°	180.0°
C08	C13	C12	H5	179.4°	179.8°
C13	C08	C07	H2	0.1°	0.2°
C17	C26	C27	C33	49.4°	50.1°
C17	C26	C25	H10	177.1°	179.8°
C26	C17	N16	H8	1.7°	0.1°
C33	C27	C28	H11	175.4°	179.7°
H6	C13	C12	H5	0.6°	0.1°
H5	C12	C11	H4	0.6°	0.1°
H4	C11	C10	H3	0.4°	0.1°
H11	C28	C29	H12	2.4°	0.1°

Release date:	2026-03-18
Definition date:	2025-03-05
Last modified:	2026-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	9NMF