RQN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O15	C13	doub	1.22Å	1.16Å
C13	N14	sing	1.35Å	1.44Å
C13	C12	sing	1.48Å	1.53Å
C11	C12	doub	1.40Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C12	C16	sing	1.40Å	1.37Å	Aromatic
C10	C09	doub	1.39Å	1.37Å	Aromatic
C16	C17	doub	1.38Å	1.38Å	Aromatic
C09	C17	sing	1.39Å	1.37Å	Aromatic
C09	O08	sing	1.36Å	1.40Å
C17	F18	sing	1.35Å	1.35Å
F21	C20	sing	1.35Å	1.35Å
C19	C20	doub	1.39Å	1.40Å	Aromatic
C19	C07	sing	1.39Å	1.40Å	Aromatic
O08	C07	sing	1.36Å	1.40Å
C20	C03	sing	1.38Å	1.38Å	Aromatic
C07	C05	doub	1.39Å	1.38Å	Aromatic
C03	C02	sing	1.51Å	1.52Å
C03	C04	doub	1.38Å	1.37Å	Aromatic
C05	C04	sing	1.39Å	1.39Å	Aromatic
C05	O06	sing	1.36Å	1.38Å
C02	C01	sing	1.53Å	1.52Å
C10	H101	sing	1.08Å	1.08Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C02	H022	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C04	H041	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
N14	H141	sing	0.97Å	1.00Å
N14	H142	sing	0.97Å	1.00Å
O06	H061	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O15	C13	N14	117.2°	120.0°
O15	C13	C12	120.7°	120.0°
N14	C13	C12	122.1°	120.0°
C13	N14	H141	120.0°	120.0°
C13	N14	H142	120.0°	120.0°
C13	C12	C11	120.8°	120.1°
C13	C12	C16	121.1°	120.0°
C12	C11	C10	121.5°	120.0°
C11	C12	C16	118.1°	119.9°
C12	C11	H111	119.3°	120.0°
C11	C10	C09	119.4°	120.1°
C11	C10	H101	120.3°	120.0°
C10	C11	H111	119.2°	120.0°
C12	C16	C17	120.3°	119.8°
C12	C16	H161	119.9°	120.1°
C10	C09	C17	119.2°	120.2°
C10	C09	O08	123.9°	119.9°
C09	C10	H101	120.3°	119.9°
C16	C17	C09	121.5°	120.0°
C16	C17	F18	120.4°	120.0°
C17	C16	H161	119.9°	120.0°
C17	C09	O08	116.9°	119.9°
C09	C17	F18	118.1°	120.0°
C09	O08	C07	119.2°	118.0°
F21	C20	C19	123.3°	120.0°
F21	C20	C03	115.7°	120.0°
C20	C19	C07	118.5°	119.9°
C19	C20	C03	121.0°	120.1°
C20	C19	H191	120.8°	120.0°
C19	C07	O08	124.8°	120.0°
C19	C07	C05	119.2°	119.9°
C07	C19	H191	120.7°	120.1°
O08	C07	C05	116.0°	120.0°
C20	C03	C02	119.3°	119.9°
C20	C03	C04	120.5°	120.2°
C07	C05	C04	121.7°	119.9°
C07	C05	O06	118.9°	120.0°
C02	C03	C04	120.2°	119.9°
C03	C02	C01	111.6°	109.5°
C03	C02	H022	109.0°	109.5°
C03	C02	H021	109.0°	109.5°
C03	C04	C05	119.2°	120.0°
C03	C04	H041	120.4°	120.0°
C04	C05	O06	119.5°	120.1°
C05	C04	H041	120.4°	120.0°
C05	O06	H061	109.5°	114.0°
C02	C01	H013	109.5°	109.5°
C02	C01	H012	109.5°	109.5°
C02	C01	H011	109.5°	109.5°
C01	C02	H022	108.9°	109.4°
C01	C02	H021	108.9°	109.4°
H013	C01	H012	109.5°	109.4°
H013	C01	H011	109.4°	109.5°
H012	C01	H011	109.5°	109.5°
H022	C02	H021	109.4°	109.5°
H141	N14	H142	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O15	C13	N14	C12	179.3°	180.0°
O15	C13	C12	C11	1.2°	0.0°
O15	C13	C12	C16	179.4°	180.0°
O15	C13	N14	H141	0.0°	180.0°
O15	C13	N14	H142	180.0°	0.0°
N14	C13	C12	C11	178.0°	180.0°
N14	C13	C12	C16	1.4°	0.0°
C13	N14	H141	H142	180.0°	180.0°
C13	C12	C11	C16	179.5°	180.0°
C13	C12	C11	C10	179.5°	180.0°
C13	C12	C16	C17	179.5°	179.7°
C13	C12	C11	H111	0.5°	0.0°
C13	C12	C16	H161	0.5°	0.0°
C12	C13	N14	H141	179.3°	0.0°
C12	C13	N14	H142	0.7°	180.0°
C12	C11	C10	H111	180.0°	179.9°
C12	C11	C10	C09	0.4°	0.1°
C11	C12	C16	C17	0.0°	0.3°
C12	C11	C10	H101	179.7°	179.8°
C11	C12	C16	H161	180.0°	180.0°
C10	C11	C12	C16	1.1°	0.0°
C11	C10	C09	H101	180.0°	179.8°
C11	C10	C09	C17	1.4°	0.2°
C11	C10	C09	O08	178.6°	179.7°
C12	C16	C17	H161	180.0°	179.7°
C12	C16	C17	C09	1.8°	0.6°
C12	C16	C17	F18	179.8°	180.0°
C16	C12	C11	H111	179.0°	179.9°
C10	C09	C17	C16	2.5°	0.6°
C10	C09	C17	O08	177.4°	180.0°
C10	C09	C17	F18	179.1°	180.0°
C10	C09	O08	C07	25.5°	94.4°
C09	C10	C11	H111	179.7°	180.0°
C16	C17	C09	F18	178.4°	179.4°
C16	C17	C09	O08	179.9°	179.4°
C17	C09	O08	C07	157.3°	85.6°
C17	C09	C10	H101	178.6°	180.0°
C09	C17	C16	H161	178.2°	179.7°
O08	C09	C17	F18	1.7°	0.0°
C09	O08	C07	C19	50.7°	5.3°
C09	O08	C07	C05	131.3°	174.7°
O08	C09	C10	H101	1.4°	0.1°
F18	C17	C16	H161	0.2°	0.3°
F21	C20	C19	C03	179.1°	179.7°
F21	C20	C19	C07	179.5°	179.7°
F21	C20	C03	C02	0.8°	0.3°
F21	C20	C03	C04	179.7°	179.7°
F21	C20	C19	H191	0.5°	0.3°
C20	C19	C07	H191	180.0°	180.0°
C20	C19	C07	O08	178.2°	180.0°
C20	C19	C07	C05	0.3°	0.0°
C19	C20	C03	C02	180.0°	180.0°
C19	C20	C03	C04	0.6°	0.0°
C19	C07	O08	C05	178.0°	180.0°
C07	C19	C20	C03	0.4°	0.0°
C19	C07	C05	C04	0.7°	0.0°
C19	C07	C05	O06	180.0°	180.0°
O08	C07	C05	C04	178.9°	180.0°
O08	C07	C05	O06	1.8°	0.0°
O08	C07	C19	H191	1.8°	0.0°
C20	C03	C02	C04	179.5°	180.0°
C20	C03	C04	C05	0.1°	0.0°
C20	C03	C02	C01	111.6°	80.0°
C20	C03	C02	H022	128.1°	160.1°
C20	C03	C02	H021	8.7°	40.0°
C20	C03	C04	H041	179.9°	179.9°
C03	C20	C19	H191	179.6°	180.0°
C07	C05	C04	C03	0.6°	0.0°
C07	C05	C04	O06	179.3°	180.0°
C07	C05	C04	H041	179.4°	180.0°
C05	C07	C19	H191	179.7°	180.0°
C07	C05	O06	H061	180.0°	90.1°
C02	C03	C04	C05	179.6°	180.0°
C03	C02	C01	H022	120.3°	120.0°
C03	C02	C01	H021	120.3°	120.1°
C03	C02	C01	H013	180.0°	60.0°
C03	C02	C01	H012	60.0°	180.0°
C03	C02	C01	H011	60.0°	60.0°
C03	C02	H022	H021	119.1°	120.1°
C02	C03	C04	H041	0.4°	0.1°
C03	C04	C05	H041	180.0°	179.9°
C03	C04	C05	O06	179.9°	180.0°
C04	C03	C02	C01	67.9°	100.0°
C04	C03	C02	H022	52.4°	19.9°
C04	C03	C02	H021	171.8°	140.0°
C04	C05	O06	H061	0.7°	89.9°
O06	C05	C04	H041	0.2°	0.0°
C02	C01	H013	H012	120.0°	120.0°
C02	C01	H013	H011	120.0°	120.0°
C02	C01	H012	H011	120.0°	120.0°
C01	C02	H022	H021	119.0°	119.9°
H101	C10	C11	H111	0.3°	0.2°
H013	C01	H012	H011	120.0°	120.0°
H013	C01	C02	H022	59.7°	180.0°
H013	C01	C02	H021	59.7°	60.1°
H012	C01	C02	H022	179.7°	60.0°
H012	C01	C02	H021	60.4°	59.9°
H011	C01	C02	H022	60.3°	60.0°
H011	C01	C02	H021	179.6°	180.0°

Release date:	2020-12-02
Definition date:	2020-10-20
Last modified:	2020-11-27
Release status:	REL
Processing site:	PDBE
Derived from:	7AP6