QZY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C22	doub	1.38Å	1.38Å	Aromatic
C23	C24	sing	1.38Å	1.38Å	Aromatic
C22	C21	sing	1.38Å	1.38Å	Aromatic
C24	C25	doub	1.38Å	1.38Å	Aromatic
C21	C20	sing	1.51Å	1.53Å
C21	C26	doub	1.38Å	1.38Å	Aromatic
C20	N02	sing	1.46Å	1.45Å
C19	N02	sing	1.46Å	1.45Å
C19	C28	sing	1.53Å	1.53Å
C25	C26	sing	1.38Å	1.39Å	Aromatic
N02	C18	sing	1.35Å	1.45Å
C18	N01	sing	1.35Å	1.45Å
C18	O04	doub	1.22Å	1.19Å
O02	C05	doub	1.22Å	1.26Å
N01	C02	sing	1.40Å	1.44Å
C05	O01	sing	1.35Å	1.26Å
C05	C01	sing	1.41Å	1.53Å
C02	C01	doub	1.38Å	1.45Å	Aromatic
C02	C03	sing	1.37Å	1.59Å	Aromatic
C01	S01	sing	1.76Å	1.56Å	Aromatic
C03	C04	doub	1.36Å	1.44Å	Aromatic
S01	C04	sing	1.76Å	1.56Å	Aromatic
C04	C06	sing	1.48Å	1.52Å
C06	C07	doub	1.40Å	1.38Å	Aromatic
C06	C11	sing	1.40Å	1.38Å	Aromatic
C07	C08	sing	1.38Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C08	C09	doub	1.39Å	1.38Å	Aromatic
C10	C09	sing	1.39Å	1.38Å	Aromatic
C09	O03	sing	1.36Å	1.40Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
O03	C12	sing	1.36Å	1.40Å
C12	C17	doub	1.39Å	1.39Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C03	H8	sing	1.08Å	1.08Å
C07	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C22	H15	sing	1.08Å	1.08Å
C23	H16	sing	1.08Å	1.08Å
C24	H17	sing	1.08Å	1.08Å
C25	H18	sing	1.08Å	1.08Å
C26	H19	sing	1.08Å	1.08Å
C28	H20	sing	1.09Å	1.10Å
C28	H21	sing	1.09Å	1.10Å
C28	H22	sing	1.09Å	1.10Å
N01	H23	sing	0.97Å	1.00Å
O01	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C23	C24	119.9°	120.0°
C23	C22	C21	120.3°	120.0°
C23	C22	H15	119.8°	120.0°
C22	C23	H16	120.1°	120.0°
C23	C24	C25	119.9°	120.0°
C24	C23	H16	120.1°	120.0°
C23	C24	H17	120.1°	120.1°
C22	C21	C20	120.3°	120.0°
C22	C21	C26	119.7°	120.0°
C21	C22	H15	119.8°	120.0°
C24	C25	C26	120.1°	120.0°
C25	C24	H17	120.0°	119.9°
C24	C25	H18	119.9°	120.0°
C20	C21	C26	120.0°	120.0°
C21	C20	N02	111.2°	109.4°
C21	C20	H13	109.0°	109.5°
C21	C20	H14	109.1°	109.4°
C21	C26	C25	120.0°	120.0°
C21	C26	H19	120.0°	120.0°
C20	N02	C19	120.2°	120.0°
C20	N02	C18	119.8°	120.0°
N02	C20	H13	109.1°	109.5°
N02	C20	H14	109.0°	109.5°
N02	C19	C28	112.7°	109.5°
C19	N02	C18	120.0°	120.0°
N02	C19	H11	108.7°	109.5°
N02	C19	H12	108.7°	109.5°
C28	C19	H11	108.7°	109.5°
C28	C19	H12	108.7°	109.4°
C19	C28	H20	109.5°	109.5°
C19	C28	H21	109.4°	109.4°
C19	C28	H22	109.5°	109.5°
C26	C25	H18	119.9°	120.0°
C25	C26	H19	120.0°	120.0°
N02	C18	N01	121.1°	120.0°
N02	C18	O04	120.1°	120.0°
N01	C18	O04	118.8°	120.0°
C18	N01	C02	114.2°	120.0°
C18	N01	H23	122.9°	120.0°
O02	C05	O01	129.7°	120.0°
O02	C05	C01	115.1°	120.0°
N01	C02	C01	129.0°	122.8°
N01	C02	C03	122.3°	122.8°
C02	N01	H23	122.9°	120.0°
O01	C05	C01	115.3°	120.0°
C05	O01	H24	109.5°	114.0°
C05	C01	C02	125.9°	125.2°
C05	C01	S01	126.6°	125.2°
C01	C02	C03	108.7°	114.4°
C02	C01	S01	107.4°	109.6°
C02	C03	C04	108.6°	114.8°
C02	C03	H8	125.7°	122.6°
C01	S01	C04	107.1°	91.3°
C03	C04	S01	108.2°	109.9°
C03	C04	C06	122.2°	125.1°
C04	C03	H8	125.7°	122.6°
S01	C04	C06	129.6°	125.0°
C04	C06	C07	120.3°	120.1°
C04	C06	C11	119.4°	120.1°
C07	C06	C11	120.3°	119.9°
C06	C07	C08	119.5°	119.9°
C06	C07	H9	120.3°	120.1°
C06	C11	C10	120.2°	119.9°
C06	C11	H5	119.9°	120.0°
C07	C08	C09	120.2°	120.1°
C07	C08	H4	119.9°	119.9°
C08	C07	H9	120.3°	120.0°
C11	C10	C09	119.8°	120.1°
C10	C11	H5	119.9°	120.1°
C11	C10	H10	120.1°	119.9°
C08	C09	C10	120.0°	120.2°
C08	C09	O03	120.0°	119.9°
C09	C08	H4	119.9°	120.0°
C10	C09	O03	120.0°	119.9°
C09	C10	H10	120.1°	120.0°
C09	O03	C12	111.2°	118.0°
C14	C13	C12	119.9°	120.0°
C13	C14	C15	119.7°	120.0°
C14	C13	H1	120.0°	120.0°
C13	C14	H6	120.1°	120.0°
C13	C12	O03	120.2°	120.1°
C13	C12	C17	119.9°	119.9°
C12	C13	H1	120.0°	120.0°
C14	C15	C16	120.8°	120.1°
C14	C15	H2	119.6°	119.9°
C15	C14	H6	120.1°	120.0°
O03	C12	C17	119.8°	120.0°
C12	C17	C16	120.5°	119.9°
C12	C17	H3	119.7°	120.0°
C15	C16	C17	119.1°	120.1°
C16	C15	H2	119.6°	119.9°
C15	C16	H7	120.5°	119.9°
C16	C17	H3	119.8°	120.1°
C17	C16	H7	120.5°	120.0°
H11	C19	H12	109.4°	109.5°
H13	C20	H14	109.5°	109.5°
H20	C28	H21	109.5°	109.5°
H20	C28	H22	109.5°	109.5°
H21	C28	H22	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C23	C24	H16	180.0°	180.0°
C23	C22	C21	H15	180.0°	180.0°
C22	C23	C24	C25	0.0°	0.0°
C23	C22	C21	C20	179.9°	179.9°
C23	C22	C21	C26	0.2°	0.3°
C22	C23	C24	H17	180.0°	180.0°
C24	C23	C22	C21	0.2°	0.0°
C23	C24	C25	H17	180.0°	180.0°
C23	C24	C25	C26	0.1°	0.2°
C24	C23	C22	H15	179.8°	180.0°
C23	C24	C25	H18	179.9°	180.0°
C22	C21	C20	C26	179.9°	179.8°
C22	C21	C20	N02	129.3°	89.7°
C22	C21	C26	C25	0.1°	0.5°
C22	C21	C20	H13	9.0°	30.2°
C22	C21	C20	H14	110.5°	150.3°
C21	C22	C23	H16	179.8°	180.0°
C22	C21	C26	H19	179.9°	179.7°
C24	C25	C26	C21	0.1°	0.4°
C24	C25	C26	H18	180.0°	179.8°
C25	C24	C23	H16	180.0°	180.0°
C24	C25	C26	H19	179.9°	179.8°
C21	C20	N02	H13	120.3°	120.0°
C21	C20	N02	H14	120.3°	120.0°
C21	C20	N02	C19	75.3°	90.0°
C20	C21	C26	C25	180.0°	179.7°
C21	C20	N02	C18	105.3°	90.0°
C21	C20	H13	H14	119.2°	120.0°
C20	C21	C22	H15	0.1°	0.0°
C20	C21	C26	H19	0.0°	0.1°
C26	C21	C20	N02	50.7°	90.1°
C21	C26	C25	H19	180.0°	179.8°
C26	C21	C20	H13	170.9°	150.0°
C26	C21	C20	H14	69.6°	29.9°
C26	C21	C22	H15	179.8°	179.8°
C21	C26	C25	H18	179.9°	179.7°
C20	N02	C19	C18	179.5°	180.0°
C20	N02	C19	C28	122.6°	90.0°
C20	N02	C18	N01	0.1°	180.0°
C20	N02	C18	O04	179.8°	0.1°
C20	N02	C19	H11	2.1°	30.0°
C20	N02	C19	H12	116.9°	150.0°
N02	C20	H13	H14	119.2°	120.1°
N02	C19	C28	H11	120.5°	120.0°
N02	C19	C28	H12	120.5°	120.0°
C19	N02	C18	N01	179.4°	0.0°
C19	N02	C18	O04	0.4°	180.0°
N02	C19	H11	H12	118.5°	120.0°
C19	N02	C20	H13	45.0°	30.0°
C19	N02	C20	H14	164.4°	150.0°
N02	C19	C28	H20	180.0°	180.0°
N02	C19	C28	H21	60.0°	60.0°
N02	C19	C28	H22	60.0°	60.0°
C28	C19	N02	C18	58.0°	90.0°
C28	C19	H11	H12	118.5°	120.0°
C19	C28	H20	H21	120.0°	120.0°
C19	C28	H20	H22	120.0°	120.1°
C19	C28	H21	H22	120.0°	120.0°
C26	C25	C24	H17	179.9°	179.8°
N02	C18	N01	O04	179.8°	180.0°
N02	C18	N01	C02	179.2°	173.9°
C18	N02	C19	H11	178.5°	150.0°
C18	N02	C19	H12	62.5°	30.0°
C18	N02	C20	H13	134.5°	150.0°
C18	N02	C20	H14	15.0°	29.9°
N02	C18	N01	H23	0.7°	6.1°
C18	N01	C02	H23	180.0°	180.0°
C18	N01	C02	C01	118.4°	173.4°
C18	N01	C02	C03	60.3°	6.6°
O04	C18	N01	C02	1.0°	6.1°
O04	C18	N01	H23	179.1°	173.9°
O02	C05	O01	C01	180.0°	179.9°
O02	C05	C01	C02	31.3°	0.4°
O02	C05	C01	S01	149.1°	180.0°
O02	C05	O01	H24	0.0°	0.0°
N01	C02	C01	C05	1.0°	0.3°
N01	C02	C01	C03	178.8°	180.0°
N01	C02	C01	S01	179.3°	180.0°
N01	C02	C03	C04	179.8°	180.0°
N01	C02	C03	H8	0.2°	0.0°
O01	C05	C01	C02	148.7°	179.7°
O01	C05	C01	S01	30.9°	0.1°
C05	C01	C02	S01	179.7°	179.7°
C05	C01	C02	C03	179.8°	179.7°
C05	C01	S01	C04	179.6°	179.7°
C01	C05	O01	H24	180.0°	179.9°
C01	C02	C03	C04	0.9°	0.0°
C02	C01	S01	C04	0.0°	0.0°
C01	C02	C03	H8	179.1°	180.0°
C01	C02	N01	H23	61.7°	6.6°
C03	C02	C01	S01	0.5°	0.0°
C02	C03	C04	H8	180.0°	180.0°
C02	C03	C04	S01	0.9°	0.0°
C02	C03	C04	C06	179.2°	180.0°
C03	C02	N01	H23	119.7°	173.4°
C01	S01	C04	C03	0.6°	0.0°
C01	S01	C04	C06	178.7°	180.0°
C03	C04	S01	C06	178.1°	180.0°
C03	C04	C06	C07	51.7°	180.0°
C03	C04	C06	C11	126.0°	0.3°
S01	C04	C06	C07	130.5°	0.0°
S01	C04	C06	C11	51.9°	179.7°
S01	C04	C03	H8	179.1°	180.0°
C04	C06	C07	C11	177.6°	179.7°
C04	C06	C07	C08	178.6°	180.0°
C04	C06	C11	C10	178.5°	180.0°
C04	C06	C11	H5	1.5°	0.0°
C06	C04	C03	H8	0.8°	0.1°
C04	C06	C07	H9	1.3°	0.0°
C06	C07	C08	H9	180.0°	179.9°
C07	C06	C11	C10	0.9°	0.2°
C06	C07	C08	C09	0.6°	0.0°
C06	C07	C08	H4	179.4°	179.7°
C07	C06	C11	H5	179.2°	179.7°
C11	C06	C07	C08	1.0°	0.2°
C06	C11	C10	H5	180.0°	180.0°
C06	C11	C10	C09	0.3°	0.0°
C11	C06	C07	H9	179.0°	179.7°
C06	C11	C10	H10	179.8°	180.0°
C07	C08	C09	H4	180.0°	179.7°
C07	C08	C09	C10	0.0°	0.2°
C07	C08	C09	O03	179.8°	179.8°
C11	C10	C09	C08	0.2°	0.2°
C11	C10	C09	H10	180.0°	180.0°
C11	C10	C09	O03	179.7°	179.7°
C08	C09	C10	O03	179.9°	180.0°
C08	C09	O03	C12	132.7°	104.7°
C09	C08	C07	H9	179.4°	179.9°
C08	C09	C10	H10	179.8°	179.7°
C10	C09	O03	C12	47.5°	75.3°
C10	C09	C08	H4	180.0°	179.9°
C09	C10	C11	H5	179.8°	180.0°
C09	O03	C12	C13	83.4°	174.8°
C09	O03	C12	C17	97.4°	5.1°
O03	C09	C08	H4	0.2°	0.0°
O03	C09	C10	H10	0.4°	0.3°
C14	C13	C12	H1	180.0°	179.8°
C13	C14	C15	H6	180.0°	179.9°
C14	C13	C12	O03	179.6°	179.9°
C14	C13	C12	C17	0.4°	0.0°
C13	C14	C15	C16	0.3°	0.1°
C13	C14	C15	H2	179.8°	180.0°
C12	C13	C14	C15	0.2°	0.1°
C13	C12	O03	C17	179.2°	180.0°
C13	C12	C17	C16	0.7°	0.0°
C13	C12	C17	H3	179.3°	180.0°
C12	C13	C14	H6	179.9°	180.0°
C14	C15	C16	H2	180.0°	179.9°
C14	C15	C16	C17	0.6°	0.1°
C15	C14	C13	H1	179.8°	179.8°
C14	C15	C16	H7	179.4°	180.0°
O03	C12	C17	C16	179.9°	179.9°
O03	C12	C13	H1	0.4°	0.2°
O03	C12	C17	H3	0.1°	0.0°
C12	C17	C16	C15	0.8°	0.1°
C12	C17	C16	H3	180.0°	179.9°
C17	C12	C13	H1	179.6°	179.8°
C12	C17	C16	H7	179.2°	180.0°
C15	C16	C17	H7	180.0°	179.9°
C15	C16	C17	H3	179.2°	180.0°
C16	C15	C14	H6	179.8°	180.0°
C17	C16	C15	H2	179.5°	180.0°
H1	C13	C14	H6	0.2°	0.2°
H2	C15	C14	H6	0.2°	0.0°
H2	C15	C16	H7	0.5°	0.0°
H3	C17	C16	H7	0.8°	0.0°
H4	C08	C07	H9	0.6°	0.4°
H5	C11	C10	H10	0.2°	0.0°
H11	C19	C28	H20	59.5°	60.0°
H11	C19	C28	H21	179.5°	60.0°
H11	C19	C28	H22	60.5°	180.0°
H12	C19	C28	H20	59.5°	60.1°
H12	C19	C28	H21	60.5°	179.9°
H12	C19	C28	H22	179.5°	60.0°
H15	C22	C23	H16	0.1°	0.0°
H16	C23	C24	H17	0.0°	0.0°
H17	C24	C25	H18	0.1°	0.0°
H18	C25	C26	H19	0.1°	0.1°
H20	C28	H21	H22	120.0°	120.0°

Release date:	2020-10-07
Definition date:	2020-01-20
Last modified:	2020-10-02
Release status:	REL
Processing site:	RCSB
Derived from:	6VJS