QOK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	O18	sing	1.43Å	1.43Å
O18	C17	sing	1.43Å	1.43Å
C17	C16	sing	1.53Å	1.53Å
C16	O13	sing	1.43Å	1.43Å
O13	C8	sing	1.43Å	1.43Å
C7	N6	doub	1.31Å	1.32Å	Aromatic
C7	N3	sing	1.35Å	1.36Å	Aromatic
N6	C2	sing	1.34Å	1.33Å	Aromatic
C8	N3	sing	1.47Å	1.47Å
N3	C1	sing	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C2	N5	sing	1.39Å	1.39Å
C12	N5	sing	1.47Å	1.46Å
C1	C4	sing	1.41Å	1.41Å
N5	C11	sing	1.35Å	1.35Å
C4	O10	doub	1.22Å	1.22Å
C4	N9	sing	1.35Å	1.35Å
C11	N9	sing	1.34Å	1.34Å
C11	O15	doub	1.22Å	1.22Å
N9	C14	sing	1.47Å	1.46Å
C7	H1	sing	1.08Å	1.08Å
C8	H27	sing	1.09Å	1.10Å
C8	H28	sing	1.09Å	1.10Å
C17	H37	sing	1.09Å	1.10Å
C17	H38	sing	1.09Å	1.10Å
C14	H33	sing	1.09Å	1.10Å
C14	H32	sing	1.09Å	1.10Å
C14	H34	sing	1.09Å	1.10Å
C16	H35	sing	1.09Å	1.10Å
C16	H36	sing	1.09Å	1.10Å
C19	H40	sing	1.09Å	1.10Å
C19	H39	sing	1.09Å	1.10Å
C19	H41	sing	1.09Å	1.10Å
C12	H30	sing	1.09Å	1.10Å
C12	H29	sing	1.09Å	1.10Å
C12	H31	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	O18	C17	114.0°	114.0°
O18	C19	H40	109.5°	109.4°
O18	C19	H39	109.4°	109.4°
O18	C19	H41	109.5°	109.5°
O18	C17	C16	109.5°	109.5°
O18	C17	H37	109.5°	109.5°
O18	C17	H38	109.5°	109.4°
C17	C16	O13	109.5°	109.5°
C16	C17	H37	109.5°	109.5°
C16	C17	H38	109.5°	109.4°
C17	C16	H35	109.5°	109.5°
C17	C16	H36	109.5°	109.4°
C16	O13	C8	114.0°	114.0°
O13	C16	H35	109.5°	109.5°
O13	C16	H36	109.4°	109.5°
O13	C8	N3	109.4°	109.4°
O13	C8	H27	109.5°	109.5°
O13	C8	H28	109.5°	109.5°
N6	C7	N3	109.4°	109.7°
C7	N6	C2	109.9°	109.8°
N6	C7	H1	125.3°	125.1°
C7	N3	C8	126.7°	126.5°
C7	N3	C1	106.7°	107.0°
N3	C7	H1	125.3°	125.2°
N6	C2	C1	107.6°	107.3°
N6	C2	N5	133.6°	133.9°
C8	N3	C1	126.6°	126.5°
N3	C8	H27	109.5°	109.5°
N3	C8	H28	109.5°	109.4°
N3	C1	C2	106.4°	106.2°
N3	C1	C4	134.4°	134.6°
C1	C2	N5	118.9°	118.8°
C2	C1	C4	119.2°	119.2°
C2	N5	C12	120.0°	120.0°
C2	N5	C11	120.0°	120.1°
C12	N5	C11	120.0°	119.9°
N5	C12	H30	109.5°	109.5°
N5	C12	H29	109.5°	109.5°
N5	C12	H31	109.4°	109.4°
C1	C4	O10	120.4°	120.4°
C1	C4	N9	119.3°	119.2°
N5	C11	N9	121.6°	121.6°
N5	C11	O15	119.2°	119.2°
O10	C4	N9	120.3°	120.4°
C4	N9	C11	121.0°	121.0°
C4	N9	C14	119.5°	119.5°
N9	C11	O15	119.1°	119.2°
C11	N9	C14	119.5°	119.5°
N9	C14	H33	109.5°	109.5°
N9	C14	H32	109.5°	109.5°
N9	C14	H34	109.4°	109.5°
H27	C8	H28	109.5°	109.5°
H37	C17	H38	109.5°	109.5°
H33	C14	H32	109.5°	109.5°
H33	C14	H34	109.5°	109.4°
H32	C14	H34	109.4°	109.5°
H35	C16	H36	109.5°	109.5°
H40	C19	H39	109.5°	109.5°
H40	C19	H41	109.4°	109.5°
H39	C19	H41	109.5°	109.6°
H30	C12	H29	109.4°	109.5°
H30	C12	H31	109.5°	109.5°
H29	C12	H31	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	O18	C17	C16	141.5°	180.0°
C19	O18	C17	H37	98.4°	60.0°
C19	O18	C17	H38	21.6°	60.0°
O18	C19	H40	H39	120.0°	119.9°
O18	C19	H40	H41	120.0°	120.0°
O18	C19	H39	H41	120.0°	120.0°
O18	C17	C16	H37	120.0°	120.0°
O18	C17	C16	H38	120.0°	119.9°
O18	C17	C16	O13	146.7°	65.0°
O18	C17	H37	H38	120.0°	120.0°
O18	C17	C16	H35	26.7°	175.0°
O18	C17	C16	H36	93.3°	55.0°
C17	O18	C19	H40	180.0°	60.0°
C17	O18	C19	H39	60.0°	60.0°
C17	O18	C19	H41	60.0°	179.9°
C17	C16	O13	H35	120.0°	120.0°
C17	C16	O13	H36	120.0°	120.0°
C17	C16	O13	C8	120.9°	180.0°
C16	C17	H37	H38	120.0°	120.0°
C17	C16	H35	H36	120.0°	119.9°
C16	O13	C8	N3	94.2°	180.0°
C16	O13	C8	H27	25.8°	60.0°
C16	O13	C8	H28	145.8°	60.1°
O13	C16	C17	H37	93.3°	175.0°
O13	C16	C17	H38	26.7°	55.0°
O13	C16	H35	H36	120.0°	120.0°
O13	C8	N3	C7	97.1°	0.3°
O13	C8	N3	H27	120.0°	120.0°
O13	C8	N3	H28	120.0°	120.0°
O13	C8	N3	C1	82.7°	180.0°
O13	C8	H27	H28	120.0°	120.1°
C8	O13	C16	H35	119.1°	60.0°
C8	O13	C16	H36	0.9°	60.0°
N6	C7	N3	H1	180.0°	179.9°
N6	C7	N3	C8	179.7°	179.7°
N6	C7	N3	C1	0.4°	0.0°
C7	N6	C2	C1	0.1°	0.0°
C7	N6	C2	N5	180.0°	179.9°
N3	C7	N6	C2	0.2°	0.0°
C7	N3	C8	C1	179.9°	179.7°
C7	N3	C1	C2	0.4°	0.0°
C7	N3	C1	C4	180.0°	180.0°
C7	N3	C8	H27	22.8°	119.7°
C7	N3	C8	H28	142.9°	120.3°
N6	C2	C1	N3	0.3°	0.0°
N6	C2	C1	N5	180.0°	179.9°
N6	C2	N5	C12	0.0°	0.1°
N6	C2	C1	C4	180.0°	180.0°
N6	C2	N5	C11	179.9°	180.0°
C2	N6	C7	H1	179.8°	179.9°
C8	N3	C1	C2	179.7°	179.7°
C8	N3	C1	C4	0.1°	0.3°
C8	N3	C7	H1	0.3°	0.2°
N3	C8	H27	H28	120.0°	119.9°
N3	C1	C2	C4	179.7°	180.0°
N3	C1	C2	N5	179.7°	179.9°
N3	C1	C4	O10	0.3°	0.1°
N3	C1	C4	N9	179.6°	179.9°
C1	N3	C7	H1	179.6°	179.9°
C1	N3	C8	H27	157.3°	60.0°
C1	N3	C8	H28	37.3°	60.0°
C1	C2	N5	C12	180.0°	180.0°
C1	C2	N5	C11	0.1°	0.1°
C2	C1	C4	O10	179.9°	179.9°
C2	C1	C4	N9	0.0°	0.1°
C2	N5	C12	C11	179.9°	179.9°
N5	C2	C1	C4	0.0°	0.0°
C2	N5	C11	N9	0.1°	0.1°
C2	N5	C11	O15	180.0°	180.0°
C2	N5	C12	H30	180.0°	90.0°
C2	N5	C12	H29	60.0°	150.0°
C2	N5	C12	H31	60.0°	30.0°
C12	N5	C11	N9	180.0°	180.0°
C12	N5	C11	O15	0.1°	0.1°
N5	C12	H30	H29	120.0°	120.0°
N5	C12	H30	H31	120.0°	119.9°
N5	C12	H29	H31	120.0°	120.0°
C1	C4	O10	N9	179.9°	180.0°
C1	C4	N9	C11	0.0°	0.1°
C1	C4	N9	C14	180.0°	180.0°
N5	C11	N9	C4	0.1°	0.1°
N5	C11	N9	O15	179.9°	179.9°
N5	C11	N9	C14	179.9°	180.0°
C11	N5	C12	H30	0.1°	90.0°
C11	N5	C12	H29	120.1°	30.0°
C11	N5	C12	H31	119.9°	150.0°
O10	C4	N9	C11	179.9°	179.9°
O10	C4	N9	C14	0.1°	0.0°
C4	N9	C11	C14	180.0°	179.9°
C4	N9	C11	O15	180.0°	180.0°
C4	N9	C14	H33	180.0°	90.0°
C4	N9	C14	H32	60.0°	150.0°
C4	N9	C14	H34	60.0°	29.9°
C11	N9	C14	H33	0.0°	90.1°
C11	N9	C14	H32	120.0°	29.9°
C11	N9	C14	H34	120.0°	150.0°
O15	C11	N9	C14	0.0°	0.1°
N9	C14	H33	H32	120.0°	120.1°
N9	C14	H33	H34	120.0°	120.0°
N9	C14	H32	H34	120.0°	120.0°
H37	C17	C16	H35	146.7°	55.0°
H37	C17	C16	H36	26.7°	65.0°
H38	C17	C16	H35	93.3°	65.0°
H38	C17	C16	H36	146.7°	175.0°
H33	C14	H32	H34	120.0°	119.9°
H40	C19	H39	H41	120.0°	120.0°
H30	C12	H29	H31	120.0°	120.0°

Release date:	2020-12-16
Definition date:	2020-07-13
Last modified:	2020-12-11
Release status:	REL
Processing site:	PDBE
Derived from:	6ZPR