R9Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.39Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C7	O14	sing	1.36Å	1.38Å
C7	C8	doub	1.40Å	1.39Å	Aromatic
O14	C12	sing	1.42Å	1.45Å
C3	C8	sing	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.48Å	1.50Å
C12	C13	sing	1.51Å	1.51Å
C12	C11	sing	1.52Å	1.52Å
C19	C13	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.40Å	1.39Å	Aromatic
N21	C20	trip	1.14Å	1.14Å
C20	C18	sing	1.43Å	1.44Å
C9	O10	doub	1.22Å	1.22Å
C9	N2	sing	1.35Å	1.35Å
C13	C15	sing	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.40Å	1.39Å	Aromatic
C11	N2	sing	1.46Å	1.47Å
C15	C16	doub	1.38Å	1.38Å	Aromatic
N2	C1	sing	1.46Å	1.46Å
C17	C16	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	C4	120.4°	120.5°
C5	C6	C7	119.1°	119.9°
C6	C5	H2	119.8°	119.8°
C5	C6	H3	120.5°	120.0°
C5	C4	C3	120.5°	120.3°
C5	C4	H1	119.8°	119.8°
C4	C5	H2	119.8°	119.7°
C6	C7	O14	118.4°	121.0°
C6	C7	C8	121.4°	119.7°
C7	C6	H3	120.5°	120.1°
C4	C3	C8	120.1°	119.7°
C3	C4	H1	119.8°	119.9°
C4	C3	H14	119.9°	120.1°
O14	C7	C8	120.1°	119.2°
C7	O14	C12	116.9°	117.2°
C7	C8	C3	118.4°	119.9°
C7	C8	C9	123.5°	119.0°
O14	C12	C13	107.9°	109.0°
O14	C12	C11	117.6°	111.6°
O14	C12	H11	108.7°	109.0°
C3	C8	C9	118.0°	121.1°
C8	C3	H14	120.0°	120.2°
C8	C9	O10	120.2°	120.6°
C8	C9	N2	117.1°	118.8°
C13	C12	C11	106.4°	109.1°
C12	C13	C19	121.7°	119.9°
C12	C13	C15	119.3°	119.9°
C13	C12	H11	108.0°	109.0°
C12	C11	N2	112.6°	110.8°
C12	C11	H9	108.7°	109.2°
C12	C11	H10	108.7°	109.2°
C11	C12	H11	107.9°	109.1°
C13	C19	C18	120.4°	119.9°
C19	C13	C15	118.8°	120.2°
C13	C19	H13	119.8°	120.1°
C19	C18	C20	120.0°	120.2°
C19	C18	C17	119.9°	119.7°
C18	C19	H13	119.8°	120.0°
N21	C20	C18	178.3°	180.0°
C20	C18	C17	120.0°	120.2°
O10	C9	N2	122.5°	120.6°
C9	N2	C11	122.7°	119.6°
C9	N2	C1	120.1°	120.3°
C13	C15	C16	120.9°	120.3°
C13	C15	H4	119.6°	119.9°
C18	C17	C16	119.7°	119.8°
C18	C17	H5	120.2°	120.1°
C11	N2	C1	117.2°	120.2°
N2	C11	H9	108.7°	109.2°
N2	C11	H10	108.7°	109.2°
C15	C16	C17	120.2°	120.2°
C16	C15	H4	119.6°	119.9°
C15	C16	H12	119.9°	119.9°
N2	C1	H6	109.5°	109.5°
N2	C1	H7	109.5°	109.4°
N2	C1	H8	109.5°	109.5°
C16	C17	H5	120.1°	120.1°
C17	C16	H12	119.9°	120.0°
H6	C1	H7	109.5°	109.5°
H6	C1	H8	109.4°	109.5°
H7	C1	H8	109.4°	109.5°
H9	C11	H10	109.5°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	H2	180.0°	180.0°
C5	C6	C7	H3	180.0°	179.9°
C6	C5	C4	C3	2.2°	0.1°
C5	C6	C7	O14	179.5°	179.7°
C5	C6	C7	C8	4.4°	0.1°
C6	C5	C4	H1	177.8°	179.6°
C4	C5	C6	C7	2.8°	0.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	C8	2.9°	0.0°
C4	C5	C6	H3	177.2°	180.0°
C5	C4	C3	H14	177.1°	179.7°
C6	C7	O14	C8	176.2°	179.8°
C6	C7	O14	C12	119.2°	106.0°
C6	C7	C8	C3	5.1°	0.2°
C6	C7	C8	C9	178.1°	179.7°
C7	C6	C5	H2	177.2°	179.9°
C4	C3	C8	C7	4.3°	0.2°
C4	C3	C8	H14	180.0°	179.7°
C4	C3	C8	C9	178.8°	179.7°
C3	C4	C5	H2	177.9°	179.9°
O14	C7	C8	C3	178.9°	179.6°
O14	C7	C8	C9	2.1°	0.5°
C7	O14	C12	C13	151.4°	165.2°
C7	O14	C12	C11	31.2°	44.6°
O14	C7	C6	H3	0.5°	0.4°
C7	O14	C12	H11	91.7°	75.9°
C8	C7	O14	C12	64.6°	73.8°
C7	C8	C3	C9	177.0°	179.9°
C7	C8	C9	O10	125.0°	132.2°
C7	C8	C9	N2	51.3°	47.9°
C8	C7	C6	H3	175.6°	179.8°
C7	C8	C3	H14	175.7°	179.5°
O14	C12	C13	C11	127.0°	122.1°
O14	C12	C13	H11	117.4°	118.9°
O14	C12	C11	H11	123.3°	120.5°
O14	C12	C13	C19	28.4°	143.2°
O14	C12	C13	C15	156.2°	37.1°
O14	C12	C11	N2	49.5°	45.1°
O14	C12	C11	H9	170.0°	165.5°
O14	C12	C11	H10	70.9°	75.2°
C3	C8	C9	O10	58.3°	47.7°
C3	C8	C9	N2	125.5°	132.2°
C8	C3	C4	H1	177.1°	179.7°
C8	C9	O10	N2	176.1°	180.0°
C8	C9	N2	C11	6.4°	4.9°
C8	C9	N2	C1	175.8°	175.1°
C9	C8	C3	H14	1.3°	0.6°
C13	C12	C11	H11	115.7°	119.0°
C12	C13	C19	C15	175.4°	179.6°
C12	C13	C19	C18	175.1°	179.7°
C13	C12	C11	N2	71.5°	75.4°
C12	C13	C15	C16	177.1°	179.9°
C12	C13	C15	H4	2.8°	0.0°
C13	C12	C11	H9	49.0°	44.9°
C13	C12	C11	H10	168.1°	164.3°
C12	C13	C19	H13	4.9°	0.4°
C11	C12	C13	C19	98.6°	94.7°
C12	C11	N2	C9	63.2°	75.0°
C11	C12	C13	C15	76.8°	85.0°
C12	C11	N2	H9	120.5°	120.3°
C12	C11	N2	H10	120.5°	120.3°
C12	C11	N2	C1	114.7°	105.0°
C12	C11	H9	H10	118.6°	119.3°
C13	C19	C18	H13	180.0°	179.9°
C13	C19	C18	C20	179.8°	179.7°
C13	C19	C18	C17	1.7°	0.5°
C19	C13	C15	C16	1.6°	0.3°
C19	C13	C15	H4	178.4°	179.7°
C19	C13	C12	H11	145.8°	24.3°
C19	C18	C20	N21	165.6°	145.7°
C19	C18	C20	C17	178.5°	179.2°
C18	C19	C13	C15	0.3°	0.1°
C19	C18	C17	C16	1.1°	0.8°
C19	C18	C17	H5	178.9°	179.7°
N21	C20	C18	C17	15.9°	35.1°
C20	C18	C17	C16	179.6°	180.0°
C20	C18	C17	H5	0.4°	0.6°
C20	C18	C19	H13	0.2°	0.2°
O10	C9	N2	C11	169.7°	175.1°
O10	C9	N2	C1	8.1°	4.9°
C9	N2	C11	C1	177.9°	180.0°
C9	N2	C1	H6	180.0°	90.0°
C9	N2	C1	H7	60.0°	30.0°
C9	N2	C1	H8	60.0°	150.0°
C9	N2	C11	H9	176.3°	164.7°
C9	N2	C11	H10	57.3°	45.3°
C13	C15	C16	H4	180.0°	180.0°
C13	C15	C16	C17	2.2°	0.0°
C15	C13	C12	H11	38.8°	156.0°
C13	C15	C16	H12	177.8°	180.0°
C15	C13	C19	H13	179.7°	180.0°
C18	C17	C16	C15	0.8°	0.5°
C18	C17	C16	H5	180.0°	179.5°
C18	C17	C16	H12	179.2°	179.5°
C17	C18	C19	H13	178.3°	179.4°
C11	N2	C1	H6	2.1°	90.0°
C11	N2	C1	H7	122.1°	150.0°
C11	N2	C1	H8	117.9°	30.0°
N2	C11	H9	H10	118.5°	119.4°
N2	C11	C12	H11	172.8°	165.6°
C15	C16	C17	H12	180.0°	179.9°
C15	C16	C17	H5	179.2°	180.0°
N2	C1	H6	H7	120.0°	119.9°
N2	C1	H6	H8	120.0°	120.0°
N2	C1	H7	H8	120.0°	120.0°
C1	N2	C11	H9	5.8°	15.4°
C1	N2	C11	H10	124.8°	134.7°
C17	C16	C15	H4	177.8°	180.0°
H1	C4	C5	H2	2.2°	0.4°
H1	C4	C3	H14	2.9°	0.0°
H2	C5	C6	H3	2.8°	0.0°
H4	C15	C16	H12	2.2°	0.1°
H5	C17	C16	H12	0.8°	0.0°
H6	C1	H7	H8	120.0°	120.0°
H9	C11	C12	H11	66.7°	74.0°
H10	C11	C12	H11	52.3°	45.3°

Release date:	2020-12-16
Definition date:	2020-09-21
Last modified:	2020-12-11
Release status:	REL
Processing site:	PDBE
Derived from:	7AFW