2QO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	doub	1.31Å	1.35Å
C02	C03	sing	1.51Å	1.51Å
C03	C04	sing	1.51Å	1.51Å
C04	C05	doub	1.38Å	1.38Å	Aromatic
C04	C21	sing	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.38Å	1.39Å	Aromatic
C21	C08	doub	1.39Å	1.39Å	Aromatic
C06	C07	doub	1.38Å	1.39Å	Aromatic
C08	C07	sing	1.39Å	1.39Å	Aromatic
C08	C09	sing	1.48Å	1.40Å
O15	C14	doub	1.22Å	1.26Å
C10	C09	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.40Å	1.39Å	Aromatic
C09	C19	sing	1.40Å	1.39Å	Aromatic
C14	O16	sing	1.35Å	1.26Å
C14	C13	sing	1.42Å	1.52Å
C12	C11	sing	1.47Å	1.52Å
C12	C13	doub	1.35Å	1.35Å
C11	C17	doub	1.40Å	1.39Å	Aromatic
C19	O20	sing	1.36Å	1.41Å
C19	C18	doub	1.39Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.08Å	1.08Å
C02	H3	sing	1.08Å	1.08Å
C03	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C13	H12	sing	1.08Å	1.08Å
O16	H14	sing	0.97Å	0.95Å
C17	H15	sing	1.08Å	1.08Å
C18	H16	sing	1.08Å	1.08Å
O20	H17	sing	0.97Å	0.95Å
C21	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	119.7°	119.9°
C02	C01	H1	120.0°	120.0°
C02	C01	H2	120.0°	120.0°
C01	C02	H3	120.1°	120.0°
C02	C03	C04	111.1°	109.4°
C03	C02	H3	120.1°	120.0°
C02	C03	H4	109.1°	109.5°
C02	C03	H5	109.1°	109.5°
C03	C04	C05	120.2°	120.0°
C03	C04	C21	119.6°	119.9°
C04	C03	H4	109.1°	109.4°
C04	C03	H5	109.0°	109.5°
C05	C04	C21	120.2°	120.1°
C04	C05	C06	119.6°	120.2°
C04	C05	H6	120.2°	119.8°
C04	C21	C08	120.4°	119.8°
C04	C21	H18	119.8°	120.1°
C05	C06	C07	120.2°	120.2°
C06	C05	H6	120.2°	119.9°
C05	C06	H7	119.9°	119.9°
C21	C08	C07	119.2°	119.8°
C21	C08	C09	119.4°	120.1°
C08	C21	H18	119.8°	120.1°
C06	C07	C08	120.3°	119.9°
C07	C06	H7	119.9°	119.9°
C06	C07	H8	119.8°	120.1°
C07	C08	C09	121.4°	120.1°
C08	C07	H8	119.8°	120.1°
C08	C09	C10	118.0°	120.0°
C08	C09	C19	122.8°	120.1°
O15	C14	O16	119.1°	120.0°
O15	C14	C13	120.4°	120.0°
C09	C10	C11	121.3°	119.7°
C10	C09	C19	119.2°	119.9°
C09	C10	H9	119.4°	120.1°
C10	C11	C12	119.9°	120.1°
C10	C11	C17	119.1°	119.9°
C11	C10	H9	119.3°	120.2°
C09	C19	O20	121.8°	120.0°
C09	C19	C18	119.5°	120.1°
O16	C14	C13	120.6°	120.0°
C14	O16	H14	109.5°	114.0°
C14	C13	C12	120.8°	120.0°
C14	C13	H12	119.6°	120.0°
C11	C12	C13	122.0°	120.0°
C12	C11	C17	120.9°	120.0°
C11	C12	H10	119.0°	120.0°
C13	C12	H10	119.0°	120.0°
C12	C13	H12	119.6°	120.0°
C11	C17	C18	120.0°	120.1°
C11	C17	H15	120.0°	119.9°
O20	C19	C18	118.7°	119.9°
C19	O20	H17	109.5°	114.0°
C19	C18	C17	120.8°	120.2°
C19	C18	H16	119.6°	119.9°
C18	C17	H15	120.0°	119.9°
C17	C18	H16	119.6°	119.9°
H1	C01	H2	120.0°	120.0°
H4	C03	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	H3	180.0°	180.0°
C01	C02	C03	C04	110.6°	125.0°
C02	C01	H1	H2	180.0°	179.8°
C01	C02	C03	H4	129.2°	115.0°
C01	C02	C03	H5	9.6°	5.0°
C02	C03	C04	H4	120.2°	120.0°
C02	C03	C04	H5	120.2°	120.0°
C02	C03	C04	C05	122.7°	90.0°
C02	C03	C04	C21	57.0°	90.3°
C03	C02	C01	H1	0.0°	180.0°
C03	C02	C01	H2	180.0°	0.3°
C02	C03	H4	H5	119.3°	120.1°
C03	C04	C05	C21	179.7°	179.7°
C03	C04	C05	C06	179.9°	180.0°
C03	C04	C21	C08	179.7°	179.7°
C04	C03	C02	H3	69.4°	55.0°
C04	C03	H4	H5	119.2°	120.0°
C03	C04	C05	H6	0.1°	0.1°
C03	C04	C21	H18	0.3°	0.1°
C04	C05	C06	H6	180.0°	180.0°
C05	C04	C21	C08	0.0°	0.6°
C04	C05	C06	C07	0.2°	0.0°
C05	C04	C03	H4	2.4°	30.0°
C05	C04	C03	H5	117.1°	150.0°
C04	C05	C06	H7	179.8°	180.0°
C05	C04	C21	H18	180.0°	179.8°
C21	C04	C05	C06	0.2°	0.3°
C04	C21	C08	H18	180.0°	179.6°
C04	C21	C08	C07	0.6°	0.6°
C04	C21	C08	C09	179.0°	179.7°
C21	C04	C03	H4	177.2°	149.7°
C21	C04	C03	H5	63.2°	29.7°
C21	C04	C05	H6	179.8°	179.7°
C05	C06	C07	H7	180.0°	180.0°
C05	C06	C07	C08	0.9°	0.0°
C05	C06	C07	H8	179.2°	179.9°
C21	C08	C07	C06	1.0°	0.3°
C21	C08	C07	C09	178.4°	179.7°
C21	C08	C09	C10	49.8°	130.5°
C21	C08	C09	C19	130.2°	49.7°
C21	C08	C07	H8	179.0°	179.8°
C06	C07	C08	H8	180.0°	179.9°
C06	C07	C08	C09	179.4°	180.0°
C07	C06	C05	H6	179.8°	180.0°
C07	C08	C09	C10	128.6°	49.8°
C07	C08	C09	C19	51.4°	130.0°
C08	C07	C06	H7	179.2°	180.0°
C07	C08	C21	H18	179.4°	179.8°
C08	C09	C10	C19	180.0°	179.7°
C08	C09	C10	C11	179.9°	180.0°
C08	C09	C19	O20	0.1°	0.0°
C08	C09	C19	C18	179.9°	179.7°
C09	C08	C07	H8	0.6°	0.1°
C08	C09	C10	H9	0.1°	0.0°
C09	C08	C21	H18	1.0°	0.1°
O15	C14	O16	C13	179.8°	179.9°
O15	C14	C13	C12	39.8°	0.0°
O15	C14	C13	H12	140.2°	180.0°
O15	C14	O16	H14	0.0°	0.1°
C09	C10	C11	H9	180.0°	180.0°
C09	C10	C11	C12	179.9°	180.0°
C09	C10	C11	C17	0.3°	0.0°
C10	C09	C19	O20	179.9°	179.8°
C10	C09	C19	C18	0.1°	0.6°
C11	C10	C09	C19	0.1°	0.3°
C10	C11	C12	C17	179.9°	179.9°
C10	C11	C12	C13	165.7°	180.0°
C10	C11	C17	C18	0.1°	0.1°
C10	C11	C12	H10	14.2°	0.0°
C10	C11	C17	H15	179.8°	180.0°
C09	C19	O20	C18	179.8°	179.7°
C09	C19	C18	C17	0.2°	0.6°
C19	C09	C10	H9	179.9°	179.7°
C09	C19	C18	H16	179.8°	179.7°
C09	C19	O20	H17	180.0°	89.9°
O16	C14	C13	C12	140.4°	180.0°
O16	C14	C13	H12	39.6°	0.0°
C14	C13	C12	C11	150.5°	180.0°
C14	C13	C12	H12	180.0°	180.0°
C14	C13	C12	H10	29.4°	0.0°
C13	C14	O16	H14	179.8°	180.0°
C11	C12	C13	H10	180.0°	180.0°
C12	C11	C17	C18	180.0°	180.0°
C12	C11	C10	H9	0.1°	0.1°
C11	C12	C13	H12	29.5°	0.0°
C12	C11	C17	H15	0.0°	0.0°
C13	C12	C11	C17	14.4°	0.1°
C11	C17	C18	C19	0.1°	0.4°
C11	C17	C18	H15	180.0°	180.0°
C17	C11	C10	H9	179.8°	180.0°
C17	C11	C12	H10	165.6°	179.9°
C11	C17	C18	H16	179.9°	180.0°
O20	C19	C18	C17	180.0°	179.7°
O20	C19	C18	H16	0.0°	0.1°
C19	C18	C17	H16	180.0°	179.6°
C19	C18	C17	H15	179.9°	179.7°
C18	C19	O20	H17	0.2°	89.7°
H1	C01	C02	H3	180.0°	0.0°
H2	C01	C02	H3	0.0°	179.8°
H3	C02	C03	H4	50.9°	64.9°
H3	C02	C03	H5	170.4°	175.0°
H6	C05	C06	H7	0.2°	0.1°
H7	C06	C07	H8	0.8°	0.1°
H10	C12	C13	H12	150.6°	180.0°
H15	C17	C18	H16	0.1°	0.0°

Release date:	2014-10-08
Definition date:	2014-01-09
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	4OC7