OVS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	1.24Å
C04	C02	sing	1.51Å	1.54Å
C04	C05	sing	1.51Å	1.48Å
C02	O03	sing	1.34Å	1.24Å
C05	C06	doub	1.34Å	1.32Å	Aromatic
C05	C20	sing	1.47Å	1.45Å	Aromatic
C06	O07	sing	1.34Å	1.36Å	Aromatic
C20	C19	doub	1.39Å	1.39Å	Aromatic
C20	C08	sing	1.41Å	1.42Å	Aromatic
C19	C18	sing	1.37Å	1.38Å	Aromatic
O07	C08	sing	1.35Å	1.39Å	Aromatic
C08	C09	doub	1.39Å	1.39Å	Aromatic
C18	C10	doub	1.39Å	1.41Å	Aromatic
C16	C17	doub	1.38Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.40Å	Aromatic
C17	C12	sing	1.39Å	1.40Å	Aromatic
C09	C10	sing	1.38Å	1.41Å	Aromatic
C10	O11	sing	1.36Å	1.40Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C12	O11	sing	1.36Å	1.35Å
C12	C13	doub	1.39Å	1.42Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.09Å	1.10Å
C06	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
O03	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C04	115.6°	120.0°
O01	C02	O03	127.6°	120.0°
C02	C04	C05	113.0°	109.5°
C04	C02	O03	116.8°	120.0°
C02	C04	H3	108.6°	109.5°
C02	C04	H4	108.6°	109.5°
C04	C05	C06	125.4°	126.9°
C04	C05	C20	129.3°	126.9°
C05	C04	H3	108.6°	109.5°
C05	C04	H4	108.6°	109.5°
C02	O03	H12	109.5°	117.0°
C06	C05	C20	105.3°	106.2°
C05	C06	O07	116.2°	110.2°
C05	C06	H5	121.9°	124.9°
C05	C20	C19	141.2°	134.2°
C05	C20	C08	104.6°	105.5°
C06	O07	C08	103.5°	110.9°
O07	C06	H5	121.9°	124.9°
C19	C20	C08	114.2°	120.2°
C20	C19	C18	123.7°	119.8°
C20	C19	H11	118.2°	120.1°
C20	C08	O07	110.4°	107.2°
C20	C08	C09	124.2°	119.3°
C19	C18	C10	120.9°	120.3°
C19	C18	H10	119.6°	119.8°
C18	C19	H11	118.1°	120.1°
O07	C08	C09	125.4°	133.5°
C08	C09	C10	119.1°	119.8°
C08	C09	H6	120.4°	120.1°
C18	C10	C09	117.9°	120.6°
C18	C10	O11	121.3°	119.7°
C10	C18	H10	119.6°	119.8°
C17	C16	C15	121.7°	120.1°
C16	C17	C12	121.9°	120.0°
C17	C16	H8	119.2°	120.0°
C16	C17	H9	119.1°	120.0°
C16	C15	C14	117.7°	120.1°
C16	C15	H2	121.1°	120.0°
C15	C16	H8	119.2°	119.9°
C17	C12	O11	122.5°	120.1°
C17	C12	C13	116.2°	119.8°
C12	C17	H9	119.1°	120.0°
C09	C10	O11	120.8°	119.7°
C10	C09	H6	120.4°	120.1°
C10	O11	C12	122.4°	118.0°
C15	C14	C13	121.3°	120.1°
C14	C15	H2	121.1°	120.0°
C15	C14	H7	119.3°	120.0°
O11	C12	C13	121.3°	120.1°
C12	C13	C14	121.3°	119.9°
C12	C13	H1	119.3°	120.0°
C14	C13	H1	119.4°	120.1°
C13	C14	H7	119.4°	119.9°
H3	C04	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C04	O03	179.6°	179.9°
O01	C02	C04	C05	100.4°	0.0°
O01	C02	C04	H3	20.2°	120.0°
O01	C02	C04	H4	139.1°	120.0°
O01	C02	O03	H12	0.0°	0.1°
C02	C04	C05	H3	120.5°	120.0°
C02	C04	C05	H4	120.5°	120.0°
C02	C04	C05	C06	116.0°	95.0°
C02	C04	C05	C20	64.1°	85.1°
C02	C04	H3	H4	118.4°	120.0°
C04	C02	O03	H12	179.5°	180.0°
C05	C04	C02	O03	79.2°	180.0°
C04	C05	C06	C20	180.0°	180.0°
C04	C05	C06	O07	179.8°	180.0°
C04	C05	C20	C19	1.1°	0.0°
C04	C05	C20	C08	179.8°	179.7°
C05	C04	H3	H4	118.4°	120.0°
C04	C05	C06	H5	0.2°	0.0°
O03	C02	C04	H3	160.3°	59.9°
O03	C02	C04	H4	41.3°	60.0°
C05	C06	O07	H5	180.0°	180.0°
C06	C05	C20	C19	179.0°	180.0°
C06	C05	C20	C08	0.1°	0.3°
C05	C06	O07	C08	0.2°	0.3°
C06	C05	C04	H3	123.5°	145.0°
C06	C05	C04	H4	4.5°	25.0°
C20	C05	C06	O07	0.2°	0.0°
C05	C20	C19	C08	179.1°	179.7°
C05	C20	C19	C18	179.0°	179.7°
C05	C20	C08	O07	0.0°	0.5°
C05	C20	C08	C09	179.5°	179.8°
C20	C05	C04	H3	56.5°	35.0°
C20	C05	C04	H4	175.4°	155.0°
C20	C05	C06	H5	179.8°	180.0°
C05	C20	C19	H11	1.0°	0.3°
C06	O07	C08	C20	0.1°	0.5°
C06	O07	C08	C09	179.4°	179.8°
C20	C19	C18	H11	180.0°	180.0°
C19	C20	C08	O07	179.4°	179.8°
C19	C20	C08	C09	0.1°	0.0°
C20	C19	C18	C10	0.7°	0.0°
C20	C19	C18	H10	179.2°	180.0°
C08	C20	C19	C18	0.1°	0.0°
C20	C08	O07	C09	179.5°	179.7°
C20	C08	C09	C10	0.4°	0.0°
C20	C08	C09	H6	179.6°	179.9°
C08	C20	C19	H11	179.9°	180.0°
C19	C18	C10	H10	180.0°	180.0°
C19	C18	C10	C09	1.2°	0.1°
C19	C18	C10	O11	179.0°	180.0°
O07	C08	C09	C10	179.8°	179.7°
C08	O07	C06	H5	179.8°	179.7°
O07	C08	C09	H6	0.2°	0.3°
C08	C09	C10	C18	1.0°	0.0°
C08	C09	C10	H6	180.0°	179.9°
C08	C09	C10	O11	178.8°	180.0°
C18	C10	C09	O11	177.8°	179.9°
C18	C10	O11	C12	44.2°	89.9°
C18	C10	C09	H6	179.0°	180.0°
C10	C18	C19	H11	179.3°	180.0°
C17	C16	C15	H8	180.0°	179.9°
C16	C17	C12	H9	180.0°	179.9°
C17	C16	C15	C14	0.3°	0.2°
C16	C17	C12	O11	178.5°	180.0°
C16	C17	C12	C13	1.1°	0.3°
C17	C16	C15	H2	179.7°	180.0°
C15	C16	C17	C12	0.8°	0.1°
C16	C15	C14	H2	180.0°	179.8°
C16	C15	C14	C13	0.1°	0.2°
C16	C15	C14	H7	179.9°	179.8°
C15	C16	C17	H9	179.2°	180.0°
C17	C12	O11	C10	53.9°	0.2°
C17	C12	O11	C13	177.3°	179.7°
C17	C12	C13	C14	0.9°	0.3°
C17	C12	C13	H1	179.1°	179.7°
C12	C17	C16	H8	179.2°	180.0°
C09	C10	O11	C12	138.0°	90.1°
C09	C10	C18	H10	178.8°	180.0°
C10	O11	C12	C13	128.7°	179.5°
O11	C10	C09	H6	1.2°	0.1°
O11	C10	C18	H10	1.0°	0.0°
C15	C14	C13	C12	0.4°	0.0°
C15	C14	C13	H7	180.0°	180.0°
C15	C14	C13	H1	179.6°	180.0°
C14	C15	C16	H8	179.7°	179.7°
O11	C12	C13	C14	178.4°	180.0°
O11	C12	C13	H1	1.6°	0.1°
O11	C12	C17	H9	1.5°	0.1°
C12	C13	C14	H1	180.0°	180.0°
C12	C13	C14	H7	179.6°	180.0°
C13	C12	C17	H9	178.9°	179.8°
C13	C14	C15	H2	179.9°	179.9°
H1	C13	C14	H7	0.4°	0.0°
H2	C15	C14	H7	0.1°	0.0°
H2	C15	C16	H8	0.3°	0.1°
H8	C16	C17	H9	0.8°	0.1°
H10	C18	C19	H11	0.8°	0.0°

Release date:	2019-11-06
Definition date:	2019-07-09
Last modified:	2019-11-01
Release status:	REL
Processing site:	RCSB
Derived from:	6POI