K8Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O03	C02	doub	1.21Å	1.26Å
O01	C02	sing	1.34Å	1.26Å
O19	C17	doub	1.21Å	1.26Å
C02	C04	sing	1.51Å	1.53Å
O15	C13	doub	1.22Å	1.25Å
C17	C16	sing	1.48Å	1.53Å
C17	O18	sing	1.35Å	1.26Å
O07	C06	doub	1.21Å	1.19Å
C13	C12	sing	1.48Å	1.53Å
C13	O14	sing	1.35Å	1.25Å
C16	C12	doub	1.41Å	1.39Å	Aromatic
C16	C20	sing	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.39Å	1.38Å	Aromatic
C04	C05	sing	1.53Å	1.53Å
C20	C09	doub	1.39Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C06	N08	sing	1.35Å	1.45Å
C06	C05	sing	1.51Å	1.53Å
C09	C10	sing	1.39Å	1.38Å	Aromatic
C09	N08	sing	1.39Å	1.46Å
C10	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.08Å	1.08Å
N08	H8	sing	0.97Å	1.00Å
O01	H9	sing	0.97Å	0.95Å
O14	H10	sing	0.97Å	0.95Å
O18	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O03	C02	O01	120.3°	120.0°
O03	C02	C04	120.0°	120.0°
O01	C02	C04	119.7°	120.0°
C02	O01	H9	109.5°	117.0°
O19	C17	C16	120.8°	120.0°
O19	C17	O18	119.9°	119.9°
C02	C04	C05	111.0°	109.5°
C02	C04	H3	109.1°	109.5°
C02	C04	H4	109.1°	109.5°
O15	C13	C12	120.0°	120.0°
O15	C13	O14	119.4°	120.0°
C16	C17	O18	119.3°	120.0°
C17	C16	C12	121.3°	120.2°
C17	C16	C20	118.6°	120.2°
C17	O18	H11	109.5°	117.0°
O07	C06	N08	121.9°	120.0°
O07	C06	C05	120.3°	120.0°
C12	C13	O14	120.6°	120.0°
C13	C12	C16	122.7°	120.1°
C13	C12	C11	117.2°	120.1°
C13	O14	H10	109.5°	116.9°
C12	C16	C20	120.1°	119.7°
C16	C12	C11	120.1°	119.8°
C16	C20	C09	119.7°	119.9°
C16	C20	H2	120.2°	120.0°
C12	C11	C10	120.1°	120.0°
C12	C11	H7	119.9°	120.0°
C04	C05	C06	112.2°	109.5°
C05	C04	H3	109.1°	109.5°
C05	C04	H4	109.1°	109.4°
C04	C05	H5	108.8°	109.5°
C04	C05	H6	108.8°	109.4°
C20	C09	C10	119.8°	120.2°
C20	C09	N08	122.6°	119.9°
C09	C20	H2	120.2°	120.0°
C11	C10	C09	120.3°	120.4°
C11	C10	H1	119.9°	119.8°
C10	C11	H7	120.0°	120.0°
N08	C06	C05	117.8°	120.0°
C06	N08	C09	126.2°	120.0°
C06	N08	H8	116.9°	120.0°
C06	C05	H5	108.8°	109.5°
C06	C05	H6	108.8°	109.5°
C10	C09	N08	117.6°	119.9°
C09	C10	H1	119.8°	119.8°
C09	N08	H8	116.9°	120.0°
H3	C04	H4	109.4°	109.4°
H5	C05	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O03	C02	O01	C04	179.5°	179.9°
O03	C02	C04	C05	154.5°	0.1°
O03	C02	C04	H3	85.2°	120.0°
O03	C02	C04	H4	34.3°	120.1°
O03	C02	O01	H9	0.0°	0.1°
O01	C02	C04	C05	25.0°	180.0°
O01	C02	C04	H3	95.3°	59.9°
O01	C02	C04	H4	145.2°	60.0°
O19	C17	C16	O18	179.5°	179.9°
O19	C17	C16	C12	49.0°	6.1°
O19	C17	C16	C20	131.2°	173.6°
O19	C17	O18	H11	0.0°	0.1°
C02	C04	C05	H3	120.2°	120.1°
C02	C04	C05	H4	120.2°	120.0°
C02	C04	C05	C06	59.6°	180.0°
C02	C04	H3	H4	119.3°	120.0°
C02	C04	C05	H5	60.8°	59.9°
C02	C04	C05	H6	180.0°	60.0°
C04	C02	O01	H9	179.5°	180.0°
O15	C13	C12	O14	177.6°	180.0°
O15	C13	C12	C16	132.1°	54.1°
O15	C13	C12	C11	48.7°	126.0°
O15	C13	O14	H10	0.0°	0.1°
C17	C16	C12	C13	0.6°	0.1°
C17	C16	C12	C20	179.8°	179.8°
C17	C16	C12	C11	179.8°	180.0°
C17	C16	C20	C09	179.5°	180.0°
C17	C16	C20	H2	0.5°	0.0°
C16	C17	O18	H11	179.5°	180.0°
O18	C17	C16	C12	130.6°	173.9°
O18	C17	C16	C20	49.2°	6.3°
O07	C06	C05	C04	20.0°	0.0°
O07	C06	N08	C05	178.5°	180.0°
O07	C06	N08	C09	2.3°	5.3°
O07	C06	C05	H5	140.4°	120.0°
O07	C06	C05	H6	100.4°	120.0°
O07	C06	N08	H8	177.7°	174.8°
C13	C12	C16	C11	179.2°	179.9°
C13	C12	C16	C20	179.2°	179.7°
C13	C12	C11	C10	179.4°	179.9°
C13	C12	C11	H7	0.6°	0.0°
C12	C13	O14	H10	177.6°	180.0°
O14	C13	C12	C16	50.4°	125.9°
O14	C13	C12	C11	128.9°	54.0°
C12	C16	C20	C09	0.7°	0.2°
C16	C12	C11	C10	0.2°	0.0°
C12	C16	C20	H2	179.3°	179.8°
C16	C12	C11	H7	179.8°	180.0°
C20	C16	C12	C11	0.0°	0.2°
C16	C20	C09	H2	180.0°	180.0°
C16	C20	C09	C10	1.1°	0.1°
C16	C20	C09	N08	178.6°	180.0°
C12	C11	C10	H7	180.0°	180.0°
C12	C11	C10	C09	0.3°	0.3°
C12	C11	C10	H1	179.8°	179.9°
C04	C05	C06	N08	158.6°	180.0°
C04	C05	C06	H5	120.4°	120.0°
C04	C05	C06	H6	120.4°	120.0°
C05	C04	H3	H4	119.3°	119.9°
C04	C05	H5	H6	118.8°	119.9°
C20	C09	C10	C11	0.9°	0.3°
C20	C09	N08	C06	26.7°	33.5°
C20	C09	C10	N08	177.6°	179.9°
C20	C09	C10	H1	179.1°	179.9°
C20	C09	N08	H8	153.3°	146.4°
C11	C10	C09	H1	180.0°	179.6°
C11	C10	C09	N08	178.5°	179.8°
C06	N08	C09	C10	155.7°	146.4°
C06	N08	C09	H8	180.0°	180.0°
N08	C06	C05	H5	38.2°	60.0°
N08	C06	C05	H6	81.1°	60.0°
C05	C06	N08	C09	179.1°	174.8°
C06	C05	C04	H3	179.8°	59.9°
C06	C05	C04	H4	60.7°	60.0°
C06	C05	H5	H6	118.8°	120.0°
C05	C06	N08	H8	0.9°	5.2°
C10	C09	C20	H2	178.9°	179.9°
C09	C10	C11	H7	179.8°	179.7°
C10	C09	N08	H8	24.3°	33.7°
N08	C09	C10	H1	1.5°	0.1°
N08	C09	C20	H2	1.4°	0.0°
H1	C10	C11	H7	0.2°	0.1°
H3	C04	C05	H5	59.4°	NaN°
H3	C04	C05	H6	59.8°	60.1°
H4	C04	C05	H5	179.0°	60.1°
H4	C04	C05	H6	59.7°	180.0°

Release date:	2019-07-03
Definition date:	2018-11-09
Last modified:	2019-06-28
Release status:	REL
Processing site:	RCSB
Derived from:	6N17