PQX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C13	sing	1.53Å	1.53Å
C13	N4	sing	1.47Å	1.49Å
C13	C14	sing	1.51Å	1.49Å
C24	C23	doub	1.36Å	1.39Å	Aromatic
C24	C20	sing	1.40Å	1.38Å	Aromatic
C23	C22	sing	1.39Å	1.38Å	Aromatic
N4	C11	sing	1.47Å	1.47Å
N4	C10	sing	1.47Å	1.47Å
C11	C12	sing	1.53Å	1.51Å
C12	C8	sing	1.53Å	1.52Å
C20	C14	doub	1.40Å	1.49Å	Aromatic
C20	C19	sing	1.42Å	1.39Å	Aromatic
C14	C16	sing	1.36Å	1.38Å	Aromatic
C22	C21	doub	1.36Å	1.39Å	Aromatic
C10	C9	sing	1.53Å	1.53Å
C9	C8	sing	1.53Å	1.52Å
O3	C7	doub	1.21Å	1.22Å
C8	C7	sing	1.51Å	1.50Å
C19	C21	sing	1.41Å	1.39Å	Aromatic
C19	C18	doub	1.40Å	1.39Å	Aromatic
C16	C17	doub	1.39Å	1.39Å	Aromatic
C18	C17	sing	1.36Å	1.39Å	Aromatic
C8	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C24	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C16	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C23	H19	sing	1.08Å	1.08Å
C9	H20	sing	1.09Å	1.10Å
C9	H21	sing	1.09Å	1.10Å
C7	O1	sing	1.34Å	1.33Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C13	N4	108.5°	109.4°
C15	C13	C14	114.4°	109.5°
C15	C13	H5	104.2°	109.4°
C13	C15	H6	109.5°	109.5°
C13	C15	H7	109.5°	109.4°
C13	C15	H8	109.5°	109.5°
N4	C13	C14	119.0°	109.5°
C13	N4	C11	103.6°	111.0°
C13	N4	C10	116.9°	111.0°
N4	C13	H5	104.6°	109.5°
C13	C14	C20	127.2°	120.1°
C13	C14	C16	114.7°	120.1°
C14	C13	H5	104.5°	109.5°
C23	C24	C20	121.3°	119.6°
C24	C23	C22	120.1°	121.0°
C23	C24	H12	119.3°	120.1°
C24	C23	H19	119.9°	119.6°
C24	C20	C14	122.6°	121.3°
C24	C20	C19	118.9°	119.4°
C20	C24	H12	119.4°	120.2°
C23	C22	C21	118.5°	121.0°
C23	C22	H11	120.8°	119.5°
C22	C23	H19	119.9°	119.4°
C11	N4	C10	111.2°	111.2°
N4	C11	C12	114.1°	109.5°
N4	C11	H13	108.3°	109.6°
N4	C11	H14	108.3°	109.4°
N4	C10	C9	112.3°	109.5°
N4	C10	H3	108.8°	109.5°
N4	C10	H4	108.7°	109.4°
C11	C12	C8	107.7°	109.3°
C12	C11	H13	108.3°	109.4°
C12	C11	H14	108.3°	109.4°
C11	C12	H15	109.9°	109.5°
C11	C12	H16	109.9°	109.5°
C12	C8	C9	106.3°	109.2°
C12	C8	C7	108.8°	109.5°
C12	C8	H2	109.2°	109.5°
C8	C12	H15	109.9°	109.5°
C8	C12	H16	109.9°	109.5°
C14	C20	C19	118.5°	119.3°
C20	C14	C16	118.0°	119.7°
C20	C19	C21	119.7°	119.3°
C20	C19	C18	120.6°	119.4°
C14	C16	C17	121.3°	120.9°
C14	C16	H17	119.3°	119.6°
C22	C21	C19	121.5°	119.6°
C22	C21	H10	119.2°	120.2°
C21	C22	H11	120.7°	119.4°
C10	C9	C8	107.1°	109.3°
C9	C10	H3	108.8°	109.5°
C9	C10	H4	108.8°	109.5°
C10	C9	H20	110.1°	109.5°
C10	C9	H21	110.1°	109.5°
C9	C8	C7	113.9°	109.5°
C9	C8	H2	109.1°	109.5°
C8	C9	H20	110.0°	109.6°
C8	C9	H21	110.1°	109.5°
O3	C7	C8	123.5°	120.0°
O3	C7	O1	122.5°	120.0°
C7	C8	H2	109.4°	109.5°
C8	C7	O1	114.0°	120.0°
C21	C19	C18	119.7°	121.3°
C19	C21	H10	119.2°	120.2°
C19	C18	C17	121.1°	119.6°
C19	C18	H18	119.4°	120.2°
C16	C17	C18	120.4°	121.0°
C16	C17	H9	119.8°	119.5°
C17	C16	H17	119.3°	119.5°
C18	C17	H9	119.8°	119.5°
C17	C18	H18	119.4°	120.1°
H3	C10	H4	109.5°	109.5°
H6	C15	H7	109.5°	109.5°
H6	C15	H8	109.5°	109.5°
H7	C15	H8	109.5°	109.5°
H13	C11	H14	109.5°	109.4°
H15	C12	H16	109.5°	109.5°
H20	C9	H21	109.5°	109.6°
C7	O1	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C13	N4	C14	133.2°	120.0°
C15	C13	N4	H5	110.7°	119.9°
C15	C13	C14	H5	113.3°	120.0°
C15	C13	N4	C11	106.5°	60.0°
C15	C13	N4	C10	130.8°	175.9°
C15	C13	C14	C20	59.7°	85.0°
C15	C13	C14	C16	118.9°	94.7°
C13	C15	H6	H7	120.0°	120.0°
C13	C15	H6	H8	120.0°	120.0°
C13	C15	H7	H8	120.0°	119.9°
N4	C13	C14	H5	116.1°	120.0°
C13	N4	C11	C10	126.3°	124.1°
C13	N4	C11	C12	177.0°	174.2°
N4	C13	C14	C20	70.8°	155.0°
N4	C13	C14	C16	110.5°	25.2°
C13	N4	C10	C9	170.4°	174.1°
C13	N4	C10	H3	69.2°	65.8°
C13	N4	C10	H4	50.0°	54.2°
N4	C13	C15	H6	180.0°	60.0°
N4	C13	C15	H7	60.0°	180.0°
N4	C13	C15	H8	60.0°	60.0°
C13	N4	C11	H13	56.3°	54.1°
C13	N4	C11	H14	62.3°	65.9°
C13	C14	C20	C24	1.4°	0.3°
C14	C13	N4	C11	120.3°	180.0°
C14	C13	N4	C10	2.3°	55.9°
C13	C14	C20	C16	178.7°	179.7°
C13	C14	C20	C19	179.8°	180.0°
C13	C14	C16	C17	179.8°	179.7°
C14	C13	C15	H6	44.5°	180.0°
C14	C13	C15	H7	75.5°	60.0°
C14	C13	C15	H8	164.5°	60.0°
C13	C14	C16	H17	0.2°	0.2°
C23	C24	C20	H12	180.0°	179.4°
C24	C23	C22	H19	180.0°	179.5°
C23	C24	C20	C14	179.6°	179.8°
C23	C24	C20	C19	0.8°	0.6°
C24	C23	C22	C21	0.2°	0.2°
C24	C23	C22	H11	179.8°	179.7°
C20	C24	C23	C22	0.7°	0.5°
C24	C20	C14	C19	178.8°	179.7°
C24	C20	C14	C16	179.9°	180.0°
C24	C20	C19	C21	0.5°	0.3°
C24	C20	C19	C18	179.6°	180.0°
C20	C24	C23	H19	179.3°	180.0°
C23	C22	C21	H11	180.0°	179.9°
C23	C22	C21	C19	0.0°	0.0°
C23	C22	C21	H10	179.9°	180.0°
C22	C23	C24	H12	179.4°	180.0°
N4	C11	C12	H13	120.7°	120.1°
N4	C11	C12	H14	120.7°	120.0°
N4	C11	C12	C8	57.7°	59.1°
C11	N4	C10	C9	51.8°	61.8°
C11	N4	C10	H3	172.2°	58.3°
C11	N4	C10	H4	68.7°	178.2°
C11	N4	C13	H5	4.2°	60.0°
N4	C11	H13	H14	117.9°	120.0°
N4	C11	C12	H15	177.4°	60.8°
N4	C11	C12	H16	62.1°	179.1°
C10	N4	C11	C12	50.7°	61.8°
N4	C10	C9	H3	120.4°	120.1°
N4	C10	C9	H4	120.4°	119.9°
N4	C10	C9	C8	60.6°	59.2°
N4	C10	H3	H4	118.7°	119.9°
C10	N4	C13	H5	118.4°	64.2°
C10	N4	C11	H13	70.0°	178.2°
C10	N4	C11	H14	171.4°	58.2°
N4	C10	C9	H20	59.0°	179.2°
N4	C10	C9	H21	179.8°	60.7°
C11	C12	C8	H15	119.7°	119.9°
C11	C12	C8	H16	119.7°	120.0°
C11	C12	C8	C9	64.4°	57.6°
C11	C12	C8	C7	172.5°	177.5°
C11	C12	C8	H2	53.2°	62.4°
C12	C11	H13	H14	117.9°	119.9°
C11	C12	H15	H16	120.8°	120.1°
C12	C8	C9	C10	66.1°	57.6°
C12	C8	C9	C7	119.8°	120.0°
C12	C8	C9	H2	117.6°	119.9°
C12	C8	C7	O3	92.9°	0.2°
C12	C8	C7	H2	119.1°	120.1°
C8	C12	C11	H13	63.0°	179.2°
C8	C12	C11	H14	178.4°	60.8°
C8	C12	H15	H16	120.8°	120.1°
C12	C8	C9	H20	53.5°	177.5°
C12	C8	C9	H21	174.3°	62.3°
C12	C8	C7	O1	84.9°	179.9°
C14	C20	C19	C21	179.4°	180.0°
C14	C20	C19	C18	0.8°	0.3°
C20	C14	C16	C17	1.0°	0.0°
C20	C14	C13	H5	173.0°	35.0°
C14	C20	C24	H12	0.4°	0.3°
C20	C14	C16	H17	179.0°	179.9°
C19	C20	C14	C16	1.1°	0.3°
C20	C19	C21	C22	0.1°	0.0°
C20	C19	C21	C18	179.8°	179.8°
C20	C19	C18	C17	0.3°	0.0°
C20	C19	C21	H10	179.9°	180.0°
C19	C20	C24	H12	179.2°	180.0°
C20	C19	C18	H18	179.7°	180.0°
C14	C16	C17	H17	180.0°	179.9°
C14	C16	C17	C18	0.4°	0.3°
C16	C14	C13	H5	5.7°	145.3°
C14	C16	C17	H9	179.6°	180.0°
C22	C21	C19	H10	180.0°	180.0°
C22	C21	C19	C18	180.0°	179.7°
C21	C22	C23	H19	179.7°	179.7°
C10	C9	C8	H20	119.6°	119.9°
C10	C9	C8	H21	119.6°	119.9°
C10	C9	C8	C7	174.1°	177.6°
C10	C9	C8	H2	51.5°	62.3°
C9	C10	H3	H4	118.7°	120.0°
C10	C9	H20	H21	121.1°	120.1°
C9	C8	C7	O3	25.6°	119.6°
C9	C8	C7	H2	122.4°	120.1°
C8	C9	C10	H3	179.0°	60.9°
C8	C9	C10	H4	59.8°	179.1°
C9	C8	C12	H15	175.9°	62.3°
C9	C8	C12	H16	55.3°	177.6°
C8	C9	H20	H21	121.1°	120.1°
C9	C8	C7	O1	156.6°	60.1°
O3	C7	C8	O1	177.8°	179.7°
O3	C7	C8	H2	148.0°	120.3°
O3	C7	O1	H1	0.0°	0.3°
C7	C8	C12	H15	52.8°	57.6°
C7	C8	C12	H16	67.8°	62.5°
C7	C8	C9	H20	66.3°	62.5°
C7	C8	C9	H21	54.5°	57.7°
C8	C7	O1	H1	177.8°	179.9°
C21	C19	C18	C17	179.9°	179.7°
C19	C21	C22	H11	180.0°	180.0°
C21	C19	C18	H18	0.1°	0.2°
C19	C18	C17	C16	0.0°	0.3°
C19	C18	C17	H18	180.0°	180.0°
C19	C18	C17	H9	180.0°	180.0°
C18	C19	C21	H10	0.1°	0.2°
C16	C17	C18	H9	180.0°	179.7°
C16	C17	C18	H18	179.9°	179.7°
C18	C17	C16	H17	179.6°	179.8°
H2	C8	C12	H15	66.5°	177.7°
H2	C8	C12	H16	172.9°	57.6°
H2	C8	C9	H20	171.2°	57.6°
H2	C8	C9	H21	68.1°	177.8°
H2	C8	C7	O1	34.2°	60.0°
H3	C10	C9	H20	61.4°	59.1°
H3	C10	C9	H21	59.4°	179.2°
H4	C10	C9	H20	179.4°	60.9°
H4	C10	C9	H21	59.8°	59.2°
H5	C13	C15	H6	69.0°	60.0°
H5	C13	C15	H7	171.0°	60.0°
H5	C13	C15	H8	51.0°	180.0°
H6	C15	H7	H8	120.0°	120.0°
H9	C17	C16	H17	0.4°	0.1°
H9	C17	C18	H18	0.1°	0.0°
H10	C21	C22	H11	0.1°	0.1°
H11	C22	C23	H19	0.3°	0.2°
H12	C24	C23	H19	0.7°	0.5°
H13	C11	C12	H15	56.7°	59.3°
H13	C11	C12	H16	177.2°	60.8°
H14	C11	C12	H15	61.9°	179.2°
H14	C11	C12	H16	58.6°	59.1°

Release date:	2024-01-03
Definition date:	2023-03-07
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ
Derived from:	8IHO