YQ4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	C18	sing	0.00Å	1.56Å
C19	C20	sing	0.00Å	1.55Å
O01	C01	sing	0.00Å	1.39Å
C17	C18	sing	0.00Å	1.57Å
C17	N01	sing	0.00Å	1.52Å
C13	N01	sing	0.00Å	1.52Å
C13	C14	sing	0.00Å	1.57Å
C24	C23	sing	0.00Å	1.55Å
C22	C23	sing	0.00Å	1.56Å
C22	C21	sing	0.00Å	1.57Å
C26	C25	doub	0.00Å	1.40Å	Aromatic
C26	C08	sing	0.00Å	1.40Å	Aromatic
C01	C08	sing	0.00Å	1.54Å
C01	C02	sing	0.00Å	1.54Å
N01	C21	sing	0.00Å	1.51Å
N01	C12	sing	0.00Å	1.52Å
C25	C11	sing	0.00Å	1.41Å	Aromatic
C08	C09	doub	0.00Å	1.40Å	Aromatic
C15	C14	sing	0.00Å	1.56Å
C15	C16	sing	0.00Å	1.55Å
C11	C10	doub	0.00Å	1.40Å	Aromatic
C11	C12	sing	0.00Å	1.59Å
C03	C02	doub	0.00Å	1.40Å	Aromatic
C03	C04	sing	0.00Å	1.39Å	Aromatic
C09	C10	sing	0.00Å	1.40Å	Aromatic
C02	C07	sing	0.00Å	1.40Å	Aromatic
C04	C05	doub	0.00Å	1.39Å	Aromatic
C07	C06	doub	0.00Å	1.40Å	Aromatic
C05	C06	sing	0.00Å	1.39Å	Aromatic
C01	H1	sing	0.00Å	1.10Å
C03	H2	sing	0.00Å	1.08Å
C04	H3	sing	0.00Å	1.08Å
C05	H4	sing	0.00Å	1.08Å
C06	H5	sing	0.00Å	1.08Å
C07	H6	sing	0.00Å	1.08Å
C09	H7	sing	0.00Å	1.08Å
C10	H8	sing	0.00Å	1.08Å
C12	H9	sing	0.00Å	1.10Å
C12	H10	sing	0.00Å	1.10Å
C13	H11	sing	0.00Å	1.10Å
C13	H12	sing	0.00Å	1.10Å
C14	H13	sing	0.00Å	1.10Å
C14	H14	sing	0.00Å	1.10Å
C15	H15	sing	0.00Å	1.10Å
C15	H16	sing	0.00Å	1.10Å
C16	H17	sing	0.00Å	1.10Å
C16	H18	sing	0.00Å	1.10Å
C16	H19	sing	0.00Å	1.10Å
C17	H20	sing	0.00Å	1.10Å
C17	H21	sing	0.00Å	1.10Å
C18	H22	sing	0.00Å	1.10Å
C18	H23	sing	0.00Å	1.10Å
C19	H24	sing	0.00Å	1.10Å
C19	H25	sing	0.00Å	1.10Å
C20	H26	sing	0.00Å	1.10Å
C20	H27	sing	0.00Å	1.10Å
C20	H28	sing	0.00Å	1.10Å
C21	H29	sing	0.00Å	1.10Å
C21	H30	sing	0.00Å	1.10Å
C22	H31	sing	0.00Å	1.10Å
C22	H32	sing	0.00Å	1.10Å
C23	H33	sing	0.00Å	1.10Å
C23	H34	sing	0.00Å	1.10Å
C24	H35	sing	0.00Å	1.10Å
C24	H36	sing	0.00Å	1.10Å
C24	H37	sing	0.00Å	1.10Å
C25	H38	sing	0.00Å	1.08Å
C26	H39	sing	0.00Å	1.08Å
O01	H40	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C19	C20	112.2°	90.0°
C19	C18	C17	114.0°	90.0°
C19	C18	H22	108.3°	90.0°
C19	C18	H23	108.3°	90.0°
C18	C19	H24	108.8°	90.0°
C18	C19	H25	108.8°	90.0°
C20	C19	H24	108.8°	90.0°
C20	C19	H25	108.8°	90.0°
C19	C20	H26	109.5°	90.0°
C19	C20	H27	109.5°	90.0°
C19	C20	H28	109.5°	90.0°
O01	C01	C08	107.5°	90.0°
O01	C01	C02	106.2°	90.0°
O01	C01	H1	110.6°	90.0°
C01	O01	H40	109.5°	90.0°
C18	C17	N01	112.0°	90.0°
C18	C17	H20	108.8°	90.0°
C18	C17	H21	108.8°	90.0°
C17	C18	H22	108.3°	90.0°
C17	C18	H23	108.3°	90.0°
C17	N01	C13	108.9°	90.0°
C17	N01	C21	107.7°	90.0°
C17	N01	C12	108.9°	90.0°
N01	C17	H20	108.8°	90.0°
N01	C17	H21	108.8°	90.0°
N01	C13	C14	111.6°	90.0°
C13	N01	C21	107.0°	90.0°
C13	N01	C12	118.6°	90.0°
N01	C13	H11	108.9°	90.0°
N01	C13	H12	108.9°	90.0°
C13	C14	C15	114.3°	90.0°
C14	C13	H11	108.9°	90.0°
C14	C13	H12	108.9°	90.0°
C13	C14	H13	108.3°	90.0°
C13	C14	H14	108.2°	90.0°
C24	C23	C22	111.7°	90.0°
C24	C23	H33	108.9°	90.0°
C24	C23	H34	108.9°	90.0°
C23	C24	H35	109.5°	90.0°
C23	C24	H36	109.4°	90.0°
C23	C24	H37	109.5°	90.0°
C23	C22	C21	113.1°	90.0°
C23	C22	H31	108.6°	90.0°
C23	C22	H32	108.5°	90.0°
C22	C23	H33	108.9°	90.0°
C22	C23	H34	108.9°	90.0°
C22	C21	N01	112.8°	90.0°
C22	C21	H29	108.7°	90.0°
C22	C21	H30	108.6°	90.0°
C21	C22	H31	108.5°	90.0°
C21	C22	H32	108.5°	90.0°
C25	C26	C08	120.6°	90.0°
C26	C25	C11	120.4°	90.0°
C26	C25	H38	119.8°	90.0°
C25	C26	H39	119.7°	90.0°
C26	C08	C01	119.1°	90.0°
C26	C08	C09	119.3°	90.0°
C08	C26	H39	119.7°	90.0°
C08	C01	C02	115.5°	90.0°
C01	C08	C09	121.6°	90.0°
C08	C01	H1	108.5°	90.0°
C01	C02	C03	117.5°	90.0°
C01	C02	C07	123.1°	90.0°
C02	C01	H1	108.5°	90.0°
C21	N01	C12	105.1°	90.0°
N01	C21	H29	108.6°	90.0°
N01	C21	H30	108.6°	90.0°
N01	C12	C11	120.4°	90.0°
N01	C12	H9	106.7°	90.0°
N01	C12	H10	106.7°	90.0°
C25	C11	C10	118.6°	90.0°
C25	C11	C12	121.0°	90.0°
C11	C25	H38	119.8°	90.0°
C08	C09	C10	120.1°	90.0°
C08	C09	H7	120.0°	90.0°
C14	C15	C16	111.7°	90.0°
C15	C14	H13	108.2°	90.0°
C15	C14	H14	108.2°	90.0°
C14	C15	H15	108.9°	90.0°
C14	C15	H16	108.9°	90.0°
C16	C15	H15	108.9°	90.0°
C16	C15	H16	108.9°	90.0°
C15	C16	H17	109.5°	90.0°
C15	C16	H18	109.5°	90.0°
C15	C16	H19	109.5°	90.0°
C10	C11	C12	120.3°	90.0°
C11	C10	C09	121.0°	90.0°
C11	C10	H8	119.5°	90.0°
C11	C12	H9	106.7°	90.0°
C11	C12	H10	106.7°	90.0°
C02	C03	C04	120.5°	90.0°
C03	C02	C07	119.3°	90.0°
C02	C03	H2	119.7°	90.0°
C03	C04	C05	119.9°	90.0°
C04	C03	H2	119.8°	90.0°
C03	C04	H3	120.1°	90.0°
C10	C09	H7	120.0°	90.0°
C09	C10	H8	119.5°	90.0°
C02	C07	C06	120.2°	90.0°
C02	C07	H6	119.9°	90.0°
C04	C05	C06	120.0°	90.0°
C05	C04	H3	120.0°	90.0°
C04	C05	H4	120.0°	90.0°
C07	C06	C05	120.0°	90.0°
C07	C06	H5	120.0°	90.0°
C06	C07	H6	119.9°	90.0°
C06	C05	H4	120.0°	90.0°
C05	C06	H5	120.0°	90.0°
H9	C12	H10	109.5°	90.0°
H11	C13	H12	109.5°	90.0°
H13	C14	H14	109.5°	90.0°
H15	C15	H16	109.5°	90.0°
H17	C16	H18	109.4°	90.0°
H17	C16	H19	109.4°	90.0°
H18	C16	H19	109.5°	90.0°
H20	C17	H21	109.5°	90.0°
H22	C18	H23	109.5°	90.0°
H24	C19	H25	109.5°	90.0°
H26	C20	H27	109.4°	90.0°
H26	C20	H28	109.4°	90.0°
H27	C20	H28	109.5°	90.0°
H29	C21	H30	109.5°	90.0°
H31	C22	H32	109.5°	90.0°
H33	C23	H34	109.5°	90.0°
H35	C24	H36	109.5°	90.0°
H35	C24	H37	109.4°	90.0°
H36	C24	H37	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C19	C20	H24	120.4°	90.0°
C18	C19	C20	H25	120.4°	90.0°
C19	C18	C17	H22	120.6°	90.0°
C19	C18	C17	H23	120.7°	90.0°
C19	C18	C17	N01	142.1°	90.0°
C19	C18	C17	H20	97.5°	90.0°
C19	C18	C17	H21	21.7°	90.0°
C19	C18	H22	H23	118.0°	90.0°
C18	C19	H24	H25	118.8°	90.0°
C18	C19	C20	H26	180.0°	90.0°
C18	C19	C20	H27	60.0°	90.0°
C18	C19	C20	H28	60.0°	90.0°
C20	C19	C18	C17	158.3°	90.0°
C20	C19	C18	H22	37.6°	90.0°
C20	C19	C18	H23	81.1°	90.0°
C20	C19	H24	H25	118.8°	90.0°
C19	C20	H26	H27	120.0°	90.0°
C19	C20	H26	H28	120.0°	90.0°
C19	C20	H27	H28	120.0°	90.0°
O01	C01	C08	C26	21.1°	90.0°
O01	C01	C08	C02	118.3°	90.0°
O01	C01	C08	H1	119.7°	90.0°
O01	C01	C02	H1	119.0°	90.0°
O01	C01	C08	C09	156.8°	90.0°
O01	C01	C02	C03	36.1°	90.0°
O01	C01	C02	C07	144.1°	90.0°
C18	C17	N01	H20	120.4°	90.0°
C18	C17	N01	H21	120.4°	90.0°
C18	C17	N01	C13	178.9°	90.0°
C18	C17	N01	C21	65.3°	90.0°
C18	C17	N01	C12	48.2°	90.0°
C18	C17	H20	H21	118.8°	90.0°
C17	C18	H22	H23	117.9°	90.0°
C17	C18	C19	H24	37.9°	90.0°
C17	C18	C19	H25	81.3°	90.0°
C17	N01	C13	C21	116.2°	90.0°
C17	N01	C13	C12	125.3°	90.0°
C17	N01	C13	C14	175.1°	90.0°
C17	N01	C21	C22	60.2°	90.0°
C17	N01	C21	C12	116.0°	90.0°
C17	N01	C12	C11	72.1°	90.0°
C17	N01	C12	H9	166.4°	90.0°
C17	N01	C12	H10	49.5°	90.0°
C17	N01	C13	H11	54.8°	90.0°
C17	N01	C13	H12	64.6°	90.0°
N01	C17	H20	H21	118.9°	90.0°
N01	C17	C18	H22	21.5°	90.0°
N01	C17	C18	H23	97.2°	90.0°
C17	N01	C21	H29	179.3°	90.0°
C17	N01	C21	H30	60.3°	90.0°
N01	C13	C14	H11	120.3°	90.0°
N01	C13	C14	H12	120.3°	90.0°
C13	N01	C21	C22	56.8°	90.0°
C13	N01	C21	C12	127.0°	90.0°
N01	C13	C14	C15	119.8°	90.0°
C13	N01	C12	C11	53.2°	90.0°
C13	N01	C12	H9	68.4°	90.0°
C13	N01	C12	H10	174.7°	90.0°
N01	C13	H11	H12	119.0°	90.0°
N01	C13	C14	H13	0.9°	90.0°
N01	C13	C14	H14	119.4°	90.0°
C13	N01	C17	H20	58.6°	90.0°
C13	N01	C17	H21	60.7°	90.0°
C13	N01	C21	H29	63.7°	90.0°
C13	N01	C21	H30	177.3°	90.0°
C14	C13	N01	C21	68.8°	90.0°
C14	C13	N01	C12	49.8°	90.0°
C13	C14	C15	H13	120.7°	90.0°
C13	C14	C15	H14	120.7°	90.0°
C13	C14	C15	C16	127.0°	90.0°
C14	C13	H11	H12	119.0°	90.0°
C13	C14	H13	H14	117.8°	90.0°
C13	C14	C15	H15	112.6°	90.0°
C13	C14	C15	H16	6.7°	90.0°
C24	C23	C22	H33	120.3°	90.0°
C24	C23	C22	H34	120.3°	90.0°
C24	C23	C22	C21	99.1°	90.0°
C24	C23	C22	H31	21.4°	90.0°
C24	C23	C22	H32	140.4°	90.0°
C24	C23	H33	H34	119.0°	90.0°
C23	C24	H35	H36	120.0°	90.0°
C23	C24	H35	H37	120.0°	90.0°
C23	C24	H36	H37	120.0°	90.0°
C23	C22	C21	H31	120.5°	90.0°
C23	C22	C21	H32	120.5°	90.0°
C23	C22	C21	N01	155.6°	90.0°
C23	C22	C21	H29	83.9°	90.0°
C23	C22	C21	H30	35.1°	90.0°
C23	C22	H31	H32	118.3°	90.0°
C22	C23	H33	H34	119.0°	90.0°
C22	C23	C24	H35	180.0°	90.0°
C22	C23	C24	H36	60.0°	90.0°
C22	C23	C24	H37	60.0°	90.0°
C22	C21	N01	H29	120.5°	90.0°
C22	C21	N01	H30	120.5°	90.0°
C22	C21	N01	C12	176.2°	90.0°
C22	C21	H29	H30	118.5°	90.0°
C21	C22	H31	H32	118.3°	90.0°
C21	C22	C23	H33	140.6°	90.0°
C21	C22	C23	H34	21.2°	90.0°
C25	C26	C08	H39	180.0°	90.0°
C25	C26	C08	C01	179.6°	90.0°
C26	C25	C11	H38	180.0°	90.0°
C25	C26	C08	C09	1.6°	90.0°
C26	C25	C11	C10	1.8°	90.0°
C26	C25	C11	C12	178.8°	90.0°
C26	C08	C01	C09	177.9°	90.0°
C26	C08	C01	C02	97.2°	90.0°
C08	C26	C25	C11	1.6°	90.0°
C26	C08	C09	C10	2.0°	90.0°
C26	C08	C01	H1	140.8°	90.0°
C26	C08	C09	H7	178.0°	90.0°
C08	C26	C25	H38	178.5°	90.0°
C08	C01	C02	H1	122.0°	90.0°
C08	C01	C02	C03	155.1°	90.0°
C01	C08	C09	C10	179.9°	90.0°
C08	C01	C02	C07	25.1°	90.0°
C01	C08	C09	H7	0.1°	90.0°
C01	C08	C26	H39	0.4°	90.0°
C08	C01	O01	H40	180.0°	90.0°
C02	C01	C08	C09	84.9°	90.0°
C01	C02	C03	C07	179.8°	90.0°
C01	C02	C03	C04	179.8°	90.0°
C01	C02	C07	C06	179.7°	90.0°
C01	C02	C03	H2	0.2°	90.0°
C01	C02	C07	H6	0.3°	90.0°
C02	C01	O01	H40	55.8°	90.0°
C21	N01	C12	C11	172.7°	90.0°
C21	N01	C12	H9	51.2°	90.0°
C21	N01	C12	H10	65.7°	90.0°
C21	N01	C13	H11	170.9°	90.0°
C21	N01	C13	H12	51.6°	90.0°
C21	N01	C17	H20	174.3°	90.0°
C21	N01	C17	H21	55.1°	90.0°
N01	C21	H29	H30	118.5°	90.0°
N01	C21	C22	H31	35.0°	90.0°
N01	C21	C22	H32	83.9°	90.0°
N01	C12	C11	C25	88.4°	90.0°
N01	C12	C11	C10	94.6°	90.0°
N01	C12	C11	H9	121.5°	90.0°
N01	C12	C11	H10	121.5°	90.0°
N01	C12	H9	H10	115.0°	90.0°
C12	N01	C13	H11	70.5°	90.0°
C12	N01	C13	H12	170.1°	90.0°
C12	N01	C17	H20	72.2°	90.0°
C12	N01	C17	H21	168.6°	90.0°
C12	N01	C21	H29	63.3°	90.0°
C12	N01	C21	H30	55.7°	90.0°
C25	C11	C10	C12	177.0°	90.0°
C25	C11	C10	C09	2.1°	90.0°
C25	C11	C10	H8	177.9°	90.0°
C25	C11	C12	H9	150.1°	90.0°
C25	C11	C12	H10	33.1°	90.0°
C11	C25	C26	H39	178.4°	90.0°
C08	C09	C10	C11	2.2°	90.0°
C08	C09	C10	H7	180.0°	90.0°
C09	C08	C01	H1	37.1°	90.0°
C08	C09	C10	H8	177.7°	90.0°
C09	C08	C26	H39	178.4°	90.0°
C14	C15	C16	H15	120.4°	90.0°
C14	C15	C16	H16	120.3°	90.0°
C15	C14	C13	H11	119.8°	90.0°
C15	C14	C13	H12	0.5°	90.0°
C15	C14	H13	H14	117.8°	90.0°
C14	C15	H15	H16	119.0°	90.0°
C14	C15	C16	H17	180.0°	90.0°
C14	C15	C16	H18	60.0°	90.0°
C14	C15	C16	H19	60.0°	90.0°
C16	C15	C14	H13	6.3°	90.0°
C16	C15	C14	H14	112.2°	90.0°
C16	C15	H15	H16	119.0°	90.0°
C15	C16	H17	H18	120.0°	90.0°
C15	C16	H17	H19	120.0°	90.0°
C15	C16	H18	H19	120.0°	90.0°
C11	C10	C09	H8	180.0°	90.0°
C11	C10	C09	H7	177.7°	90.0°
C10	C11	C12	H9	26.9°	90.0°
C10	C11	C12	H10	143.8°	90.0°
C10	C11	C25	H38	178.3°	90.0°
C12	C11	C10	C09	179.2°	90.0°
C12	C11	C10	H8	0.8°	90.0°
C11	C12	H9	H10	115.0°	90.0°
C12	C11	C25	H38	1.3°	90.0°
C02	C03	C04	H2	180.0°	90.0°
C02	C03	C04	C05	0.0°	90.0°
C03	C02	C07	C06	0.0°	90.0°
C03	C02	C01	H1	82.8°	90.0°
C02	C03	C04	H3	179.9°	90.0°
C03	C02	C07	H6	180.0°	90.0°
C04	C03	C02	C07	0.0°	90.0°
C03	C04	C05	H3	180.0°	90.0°
C03	C04	C05	C06	0.0°	90.0°
C03	C04	C05	H4	180.0°	90.0°
C02	C07	C06	H6	180.0°	90.0°
C02	C07	C06	C05	0.1°	90.0°
C07	C02	C01	H1	96.9°	90.0°
C07	C02	C03	H2	180.0°	90.0°
C02	C07	C06	H5	180.0°	90.0°
C04	C05	C06	C07	0.0°	90.0°
C04	C05	C06	H4	180.0°	90.0°
C05	C04	C03	H2	180.0°	90.0°
C04	C05	C06	H5	180.0°	90.0°
C07	C06	C05	H5	180.0°	90.0°
C07	C06	C05	H4	180.0°	90.0°
C06	C05	C04	H3	180.0°	90.0°
C05	C06	C07	H6	180.0°	90.0°
H1	C01	O01	H40	61.7°	90.0°
H2	C03	C04	H3	0.0°	90.0°
H3	C04	C05	H4	0.0°	90.0°
H4	C05	C06	H5	0.0°	90.0°
H5	C06	C07	H6	0.0°	90.0°
H7	C09	C10	H8	2.3°	90.0°
H11	C13	C14	H13	119.5°	90.0°
H11	C13	C14	H14	0.9°	90.0°
H12	C13	C14	H13	121.2°	90.0°
H12	C13	C14	H14	120.3°	90.0°
H13	C14	C15	H15	126.6°	90.0°
H13	C14	C15	H16	114.1°	90.0°
H14	C14	C15	H15	8.1°	90.0°
H14	C14	C15	H16	127.4°	90.0°
H15	C15	C16	H17	59.7°	90.0°
H15	C15	C16	H18	179.6°	90.0°
H15	C15	C16	H19	60.3°	90.0°
H16	C15	C16	H17	59.7°	90.0°
H16	C15	C16	H18	60.3°	90.0°
H16	C15	C16	H19	179.6°	90.0°
H17	C16	H18	H19	120.0°	90.0°
H20	C17	C18	H22	141.9°	90.0°
H20	C17	C18	H23	23.2°	90.0°
H21	C17	C18	H22	98.9°	90.0°
H21	C17	C18	H23	142.4°	90.0°
H22	C18	C19	H24	82.8°	90.0°
H22	C18	C19	H25	158.0°	90.0°
H23	C18	C19	H24	158.5°	90.0°
H23	C18	C19	H25	39.3°	90.0°
H24	C19	C20	H26	59.6°	90.0°
H24	C19	C20	H27	179.6°	90.0°
H24	C19	C20	H28	60.4°	90.0°
H25	C19	C20	H26	59.6°	90.0°
H25	C19	C20	H27	60.4°	90.0°
H25	C19	C20	H28	179.6°	90.0°
H26	C20	H27	H28	120.0°	90.0°
H29	C21	C22	H31	155.5°	90.0°
H29	C21	C22	H32	36.6°	90.0°
H30	C21	C22	H31	85.5°	90.0°
H30	C21	C22	H32	155.6°	90.0°
H31	C22	C23	H33	98.9°	90.0°
H31	C22	C23	H34	141.8°	90.0°
H32	C22	C23	H33	20.0°	90.0°
H32	C22	C23	H34	99.3°	90.0°
H33	C23	C24	H35	59.7°	90.0°
H33	C23	C24	H36	60.4°	90.0°
H33	C23	C24	H37	179.7°	90.0°
H34	C23	C24	H35	59.6°	90.0°
H34	C23	C24	H36	179.7°	90.0°
H34	C23	C24	H37	60.4°	90.0°
H35	C24	H36	H37	120.0°	90.0°
H38	C25	C26	H39	1.5°	90.0°

Release date:	2022-09-21
Definition date:	2021-03-22
Last modified:	2022-09-16
Release status:	REL
Processing site:	RCSB
Derived from:	5BKK