Q0X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O10	C09	sing	1.36Å	1.36Å
O12	C11	sing	1.36Å	1.36Å
C09	C11	doub	1.39Å	1.40Å	Aromatic
C09	C08	sing	1.39Å	1.38Å	Aromatic
C11	C13	sing	1.38Å	1.38Å	Aromatic
C08	C07	doub	1.38Å	1.38Å	Aromatic
C13	C06	doub	1.40Å	1.38Å	Aromatic
C07	C06	sing	1.40Å	1.39Å	Aromatic
C06	C05	sing	1.47Å	1.45Å
O04	C03	sing	1.36Å	1.36Å
O22	C21	sing	1.36Å	1.35Å
C05	C03	doub	1.35Å	1.33Å
C03	C02	sing	1.47Å	1.51Å
C21	C20	doub	1.38Å	1.37Å	Aromatic
C21	C14	sing	1.40Å	1.41Å	Aromatic
C20	C18	sing	1.39Å	1.36Å	Aromatic
C02	C14	sing	1.47Å	1.50Å
C02	O01	doub	1.22Å	1.21Å
C14	C15	doub	1.41Å	1.42Å	Aromatic
C18	O19	sing	1.36Å	1.25Å
C18	C17	doub	1.39Å	1.36Å	Aromatic
C15	C17	sing	1.38Å	1.37Å	Aromatic
C15	O16	sing	1.36Å	1.33Å
O04	H1	sing	0.97Å	0.95Å
C05	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
O10	H5	sing	0.97Å	0.95Å
O12	H6	sing	0.97Å	0.95Å
C13	H7	sing	1.08Å	1.08Å
O16	H9	sing	0.97Å	0.95Å
C17	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.08Å	1.08Å
O22	H12	sing	0.97Å	0.95Å
O19	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O10	C09	C11	119.4°	119.9°
O10	C09	C08	122.4°	119.9°
C09	O10	H5	109.5°	114.0°
O12	C11	C09	118.7°	120.0°
O12	C11	C13	120.7°	120.0°
C11	O12	H6	109.5°	114.0°
C11	C09	C08	118.2°	120.2°
C09	C11	C13	120.6°	120.0°
C09	C08	C07	120.2°	120.2°
C09	C08	H4	119.9°	119.9°
C11	C13	C06	121.4°	119.8°
C11	C13	H7	119.3°	120.1°
C08	C07	C06	122.2°	120.0°
C08	C07	H3	118.9°	120.0°
C07	C08	H4	119.9°	119.9°
C13	C06	C07	117.4°	119.8°
C13	C06	C05	120.9°	120.1°
C06	C13	H7	119.3°	120.1°
C07	C06	C05	121.6°	120.1°
C06	C07	H3	118.9°	120.0°
C06	C05	C03	121.5°	120.0°
C06	C05	H2	119.2°	120.0°
O04	C03	C05	117.6°	120.0°
O04	C03	C02	112.4°	120.0°
C03	O04	H1	109.5°	114.0°
O22	C21	C20	119.2°	120.1°
O22	C21	C14	118.5°	120.1°
C21	O22	H12	109.5°	114.0°
C05	C03	C02	130.0°	120.0°
C03	C05	H2	119.2°	120.0°
C03	C02	C14	124.9°	120.0°
C03	C02	O01	117.1°	120.0°
C20	C21	C14	122.3°	119.8°
C21	C20	C18	118.5°	120.1°
C21	C20	H11	120.7°	119.9°
C21	C14	C02	121.7°	120.2°
C21	C14	C15	115.0°	119.6°
C20	C18	O19	116.4°	119.8°
C20	C18	C17	123.6°	120.4°
C18	C20	H11	120.7°	119.9°
C14	C02	O01	117.9°	120.0°
C02	C14	C15	123.3°	120.2°
C14	C15	C17	123.0°	119.8°
C14	C15	O16	120.2°	120.1°
O19	C18	C17	119.9°	119.8°
C18	O19	H14	109.5°	114.0°
C18	C17	C15	117.5°	120.1°
C18	C17	H10	121.2°	119.9°
C17	C15	O16	116.8°	120.1°
C15	C17	H10	121.2°	119.9°
C15	O16	H9	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	C09	C11	O12	0.6°	0.2°
O10	C09	C11	C08	179.1°	179.9°
O10	C09	C11	C13	180.0°	180.0°
O10	C09	C08	C07	179.9°	179.8°
O10	C09	C08	H4	0.1°	0.1°
O12	C11	C09	C13	179.5°	179.8°
O12	C11	C09	C08	179.6°	180.0°
O12	C11	C13	C06	178.9°	179.8°
O12	C11	C13	H7	1.0°	0.2°
C11	C09	C08	C07	0.8°	0.1°
C09	C11	C13	C06	1.6°	0.4°
C11	C09	C08	H4	179.2°	180.0°
C11	C09	O10	H5	180.0°	90.1°
C09	C11	O12	H6	180.0°	90.1°
C09	C11	C13	H7	178.5°	180.0°
C08	C09	C11	C13	0.9°	0.1°
C09	C08	C07	H4	180.0°	179.9°
C09	C08	C07	C06	1.5°	0.1°
C09	C08	C07	H3	178.6°	180.0°
C08	C09	O10	H5	1.0°	89.8°
C11	C13	C06	H7	180.0°	179.6°
C11	C13	C06	C07	2.1°	0.4°
C11	C13	C06	C05	178.6°	179.8°
C13	C11	O12	H6	0.5°	89.8°
C08	C07	C06	C13	2.0°	0.2°
C08	C07	C06	H3	180.0°	180.0°
C08	C07	C06	C05	178.5°	180.0°
C13	C06	C07	C05	176.5°	179.8°
C13	C06	C05	C03	87.2°	33.4°
C13	C06	C05	H2	92.8°	146.6°
C13	C06	C07	H3	178.0°	179.8°
C07	C06	C05	C03	89.2°	146.9°
C07	C06	C05	H2	90.9°	33.1°
C06	C07	C08	H4	178.5°	180.0°
C07	C06	C13	H7	178.0°	180.0°
C06	C05	C03	O04	0.5°	7.1°
C06	C05	C03	H2	180.0°	180.0°
C06	C05	C03	C02	178.7°	172.9°
C05	C06	C07	H3	1.5°	0.0°
C05	C06	C13	H7	1.4°	0.2°
O04	C03	C05	C02	178.2°	180.0°
O04	C03	C02	C14	55.2°	174.4°
O04	C03	C02	O01	121.7°	5.4°
O04	C03	C05	H2	179.5°	172.9°
O22	C21	C20	C14	179.8°	179.4°
O22	C21	C20	C18	179.8°	180.0°
O22	C21	C14	C02	1.0°	0.3°
O22	C21	C14	C15	179.8°	180.0°
O22	C21	C20	H11	0.2°	0.3°
C05	C03	C02	C14	123.1°	5.6°
C05	C03	C02	O01	60.0°	174.6°
C05	C03	O04	H1	180.0°	5.7°
C03	C02	C14	C21	6.1°	94.8°
C03	C02	C14	O01	176.9°	179.8°
C03	C02	C14	C15	172.6°	85.5°
C02	C03	O04	H1	1.5°	174.3°
C02	C03	C05	H2	1.3°	7.1°
C21	C20	C18	H11	180.0°	179.7°
C20	C21	C14	C02	179.2°	179.7°
C20	C21	C14	C15	0.4°	0.6°
C21	C20	C18	O19	179.9°	179.7°
C21	C20	C18	C17	0.2°	0.3°
C20	C21	O22	H12	180.0°	94.9°
C14	C21	C20	C18	0.4°	0.6°
C21	C14	C02	C15	178.7°	179.7°
C21	C14	C02	O01	177.1°	85.4°
C21	C14	C15	C17	0.2°	0.3°
C21	C14	C15	O16	179.5°	179.7°
C14	C21	C20	H11	179.6°	179.7°
C14	C21	O22	H12	0.2°	85.8°
C20	C18	O19	C17	179.7°	179.9°
C20	C18	C17	C15	0.0°	0.1°
C20	C18	C17	H10	180.0°	180.0°
C20	C18	O19	H14	180.0°	90.0°
C02	C14	C15	C17	179.0°	180.0°
C02	C14	C15	O16	0.8°	0.0°
O01	C02	C14	C15	4.3°	94.3°
C14	C15	C17	C18	0.0°	0.0°
C14	C15	C17	O16	179.7°	180.0°
C14	C15	O16	H9	1.1°	90.0°
C14	C15	C17	H10	180.0°	180.0°
O19	C18	C17	C15	179.7°	180.0°
O19	C18	C17	H10	0.3°	0.1°
O19	C18	C20	H11	0.1°	0.0°
C18	C17	C15	H10	180.0°	180.0°
C18	C17	C15	O16	179.7°	180.0°
C17	C18	C20	H11	179.8°	180.0°
C17	C18	O19	H14	0.3°	89.9°
C17	C15	O16	H9	179.2°	90.0°
O16	C15	C17	H10	0.3°	0.0°
H3	C07	C08	H4	1.4°	0.1°

Release date:	2022-11-23
Definition date:	2022-10-06
Last modified:	2022-12-31
Release status:	REL
Processing site:	PDBE
Derived from:	8B7R