ZL5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.53Å
C03	C02	doub	1.37Å	1.38Å	Aromatic
C03	C04	sing	1.39Å	1.39Å	Aromatic
C02	C28	sing	1.39Å	1.37Å	Aromatic
C04	C05	doub	1.37Å	1.40Å	Aromatic
C28	N20	sing	1.37Å	1.48Å	Aromatic
C28	C06	doub	1.41Å	1.48Å	Aromatic
C21	N20	sing	1.46Å	1.44Å
C21	C22	sing	1.51Å	1.52Å
C05	C06	sing	1.40Å	1.39Å	Aromatic
N20	N19	sing	1.40Å	1.32Å	Aromatic
C06	C07	sing	1.47Å	1.40Å	Aromatic
C22	N27	doub	1.31Å	1.35Å	Aromatic
C22	N23	sing	1.33Å	1.36Å	Aromatic
N27	N25	sing	1.29Å	1.39Å	Aromatic
N19	C07	doub	1.31Å	1.23Å	Aromatic
C07	C08	sing	1.48Å	1.53Å
N23	N24	doub	1.29Å	1.35Å	Aromatic
N25	N24	sing	1.29Å	1.36Å	Aromatic
N25	C26	sing	1.47Å	1.45Å
C08	C09	doub	1.39Å	1.32Å	Aromatic
C08	C17	sing	1.40Å	1.53Å	Aromatic
F18	C17	sing	1.35Å	1.36Å
C09	C10	sing	1.38Å	1.52Å	Aromatic
C17	C16	doub	1.38Å	1.31Å	Aromatic
F12	C11	sing	1.40Å	1.36Å
C10	C11	sing	1.51Å	1.52Å
C10	C15	doub	1.38Å	1.31Å	Aromatic
C16	C15	sing	1.38Å	1.52Å	Aromatic
C11	F14	sing	1.40Å	1.36Å
C11	F13	sing	1.40Å	1.36Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C03	H031	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C21	H212	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C26	H261	sing	1.09Å	1.10Å
C26	H263	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	117.8°	120.1°
C01	C02	C28	123.3°	120.1°
C02	C01	H011	109.5°	109.5°
C02	C01	H013	109.5°	109.5°
C02	C01	H012	109.5°	109.5°
C02	C03	C04	122.3°	120.7°
C03	C02	C28	118.9°	119.9°
C02	C03	H031	118.8°	119.6°
C03	C04	C05	120.3°	120.6°
C04	C03	H031	118.9°	119.6°
C03	C04	H041	119.8°	119.7°
C02	C28	N20	139.7°	133.7°
C02	C28	C06	120.5°	119.4°
C04	C05	C06	119.6°	119.6°
C05	C04	H041	119.8°	119.7°
C04	C05	H051	120.2°	120.2°
N20	C28	C06	99.8°	106.9°
C28	N20	C21	126.4°	125.4°
C28	N20	N19	113.6°	109.3°
C28	C06	C05	118.4°	119.7°
C28	C06	C07	102.3°	106.3°
N20	C21	C22	105.9°	109.5°
C21	N20	N19	120.0°	125.3°
N20	C21	H212	110.4°	109.5°
N20	C21	H211	110.3°	109.5°
C21	C22	N27	125.7°	126.6°
C21	C22	N23	125.4°	126.5°
C22	C21	H212	110.4°	109.5°
C22	C21	H211	110.4°	109.5°
C05	C06	C07	139.3°	134.0°
C06	C05	H051	120.2°	120.2°
N20	N19	C07	105.2°	110.0°
C06	C07	N19	119.1°	107.6°
C06	C07	C08	123.8°	126.2°
N27	C22	N23	108.9°	106.9°
C22	N27	N25	106.3°	107.9°
C22	N23	N24	108.6°	107.3°
N27	N25	N24	108.4°	109.1°
N27	N25	C26	125.4°	125.5°
N19	C07	C08	117.1°	126.2°
C07	C08	C09	119.1°	120.1°
C07	C08	C17	121.4°	120.1°
N23	N24	N25	107.8°	108.8°
N24	N25	C26	126.2°	125.4°
N25	C26	H261	109.5°	109.4°
N25	C26	H263	109.5°	109.4°
N25	C26	H262	109.5°	109.5°
C09	C08	C17	119.5°	119.7°
C08	C09	C10	120.2°	119.9°
C08	C09	H091	119.9°	120.1°
C08	C17	F18	120.5°	120.1°
C08	C17	C16	120.2°	119.8°
F18	C17	C16	119.2°	120.1°
C09	C10	C11	119.7°	119.9°
C09	C10	C15	120.3°	120.2°
C10	C09	H091	119.9°	120.0°
C17	C16	C15	120.1°	120.2°
C17	C16	H161	119.9°	119.9°
F12	C11	C10	109.1°	109.5°
F12	C11	F14	109.6°	109.5°
F12	C11	F13	109.6°	109.4°
C11	C10	C15	120.0°	119.9°
C10	C11	F14	109.6°	109.5°
C10	C11	F13	109.3°	109.5°
C10	C15	C16	119.7°	120.3°
C10	C15	H151	120.2°	119.8°
C16	C15	H151	120.2°	119.9°
C15	C16	H161	120.0°	119.9°
F14	C11	F13	109.6°	109.5°
H011	C01	H013	109.5°	109.5°
H011	C01	H012	109.5°	109.5°
H013	C01	H012	109.4°	109.4°
H212	C21	H211	109.5°	109.4°
H261	C26	H263	109.5°	109.5°
H261	C26	H262	109.4°	109.5°
H263	C26	H262	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C28	179.5°	179.8°
C01	C02	C03	C04	179.5°	180.0°
C01	C02	C28	N20	1.0°	0.1°
C01	C02	C28	C06	179.6°	179.7°
C02	C01	H011	H013	120.0°	120.0°
C02	C01	H011	H012	120.0°	120.0°
C02	C01	H013	H012	120.0°	120.0°
C01	C02	C03	H031	0.5°	0.0°
C02	C03	C04	H031	180.0°	180.0°
C02	C03	C04	C05	0.2°	0.0°
C03	C02	C28	N20	179.5°	179.7°
C03	C02	C28	C06	0.2°	0.5°
C03	C02	C01	H011	90.2°	89.7°
C03	C02	C01	H013	149.7°	30.3°
C03	C02	C01	H012	29.8°	150.2°
C02	C03	C04	H041	179.8°	180.0°
C04	C03	C02	C28	0.0°	0.3°
C03	C04	C05	H041	180.0°	180.0°
C03	C04	C05	C06	0.2°	0.0°
C03	C04	C05	H051	179.8°	180.0°
C02	C28	N20	C06	179.5°	179.8°
C02	C28	N20	C21	0.9°	0.0°
C02	C28	C06	C05	0.2°	0.5°
C02	C28	N20	N19	180.0°	179.3°
C02	C28	C06	C07	179.8°	179.7°
C28	C02	C01	H011	90.3°	90.0°
C28	C02	C01	H013	29.7°	149.9°
C28	C02	C01	H012	149.7°	30.0°
C28	C02	C03	H031	180.0°	179.8°
C04	C05	C06	C28	0.0°	0.2°
C04	C05	C06	H051	180.0°	180.0°
C04	C05	C06	C07	180.0°	180.0°
C05	C04	C03	H031	179.8°	180.0°
C28	N20	C21	N19	179.1°	179.2°
C28	N20	C21	C22	129.3°	90.0°
N20	C28	C06	C05	179.8°	179.7°
N20	C28	C06	C07	0.2°	0.2°
C28	N20	N19	C07	0.6°	0.7°
C28	N20	C21	H212	9.9°	30.0°
C28	N20	C21	H211	111.2°	150.0°
C06	C28	N20	C21	179.7°	179.8°
C28	C06	C05	C07	180.0°	179.8°
C06	C28	N20	N19	0.5°	0.5°
C28	C06	C07	N19	0.2°	0.2°
C28	C06	C07	C08	179.5°	179.8°
C28	C06	C05	H051	180.0°	179.8°
N20	C21	C22	H212	119.4°	120.0°
N20	C21	C22	H211	119.4°	120.1°
N20	C21	C22	N27	135.6°	90.0°
N20	C21	C22	N23	43.2°	89.6°
C21	N20	N19	C07	179.8°	180.0°
N20	C21	H212	H211	121.6°	120.0°
C22	C21	N20	N19	49.7°	89.2°
C21	C22	N27	N23	179.0°	179.7°
C21	C22	N27	N25	179.6°	179.9°
C21	C22	N23	N24	179.6°	180.0°
C22	C21	H212	H211	121.7°	120.0°
C05	C06	C07	N19	179.8°	180.0°
C05	C06	C07	C08	0.5°	0.1°
C06	C05	C04	H041	179.8°	180.0°
N20	N19	C07	C06	0.5°	0.5°
N20	N19	C07	C08	179.8°	179.4°
N19	N20	C21	H212	169.2°	150.8°
N19	N20	C21	H211	69.7°	30.9°
C06	C07	N19	C08	179.3°	180.0°
C06	C07	C08	C09	141.7°	46.7°
C06	C07	C08	C17	40.2°	133.1°
C07	C06	C05	H051	0.0°	0.0°
N27	C22	N23	N24	0.6°	0.3°
C22	N27	N25	N24	0.4°	0.5°
C22	N27	N25	C26	179.7°	179.8°
N27	C22	C21	H212	104.9°	150.0°
N27	C22	C21	H211	16.2°	30.1°
N23	C22	N27	N25	0.6°	0.4°
C22	N23	N24	N25	0.4°	0.0°
N23	C22	C21	H212	76.3°	30.4°
N23	C22	C21	H211	162.6°	150.3°
N27	N25	N24	N23	0.0°	0.3°
N27	N25	N24	C26	179.9°	179.7°
N27	N25	C26	H261	0.0°	89.6°
N27	N25	C26	H263	120.0°	30.3°
N27	N25	C26	H262	120.0°	150.3°
N19	C07	C08	C09	39.0°	133.4°
N19	C07	C08	C17	139.1°	46.8°
C07	C08	C09	C17	178.1°	179.8°
C07	C08	C17	F18	1.3°	0.1°
C07	C08	C09	C10	179.3°	180.0°
C07	C08	C17	C16	179.1°	179.7°
C07	C08	C09	H091	0.8°	0.1°
N23	N24	N25	C26	179.9°	180.0°
N24	N25	C26	H261	179.9°	90.0°
N24	N25	C26	H263	59.8°	150.0°
N24	N25	C26	H262	60.2°	30.0°
N25	C26	H261	H263	120.0°	119.9°
N25	C26	H261	H262	120.0°	120.0°
N25	C26	H263	H262	120.0°	120.0°
C09	C08	C17	F18	179.3°	179.7°
C08	C09	C10	H091	180.0°	179.9°
C09	C08	C17	C16	1.1°	0.5°
C08	C09	C10	C11	179.4°	180.0°
C08	C09	C10	C15	0.7°	0.0°
C08	C17	F18	C16	179.6°	179.8°
C17	C08	C09	C10	1.2°	0.2°
C08	C17	C16	C15	0.4°	0.5°
C17	C08	C09	H091	178.9°	179.8°
C08	C17	C16	H161	179.6°	179.7°
F18	C17	C16	C15	180.0°	179.7°
F18	C17	C16	H161	0.0°	0.1°
C09	C10	C11	F12	2.0°	150.0°
C09	C10	C11	C15	179.9°	180.0°
C09	C10	C15	C16	0.1°	0.0°
C09	C10	C11	F14	122.1°	90.0°
C09	C10	C11	F13	117.8°	30.0°
C09	C10	C15	H151	180.0°	180.0°
C17	C16	C15	C10	0.0°	0.2°
C17	C16	C15	H161	180.0°	179.8°
C17	C16	C15	H151	179.9°	179.7°
F12	C11	C10	F14	120.1°	120.0°
F12	C11	C10	F13	119.8°	120.0°
F12	C11	C10	C15	178.1°	30.0°
F12	C11	F14	F13	120.3°	120.0°
C11	C10	C15	C16	180.0°	180.0°
C10	C11	F14	F13	119.9°	120.0°
C11	C10	C09	H091	0.6°	0.0°
C11	C10	C15	H151	0.1°	0.0°
C10	C15	C16	H151	180.0°	180.0°
C15	C10	C11	F14	58.0°	90.0°
C15	C10	C11	F13	62.1°	150.0°
C15	C10	C09	H091	179.3°	180.0°
C10	C15	C16	H161	180.0°	180.0°
H011	C01	H013	H012	120.0°	120.0°
H031	C03	C04	H041	0.3°	0.0°
H041	C04	C05	H051	0.2°	0.0°
H151	C15	C16	H161	0.1°	0.1°
H261	C26	H263	H262	120.0°	120.1°

Release date:	2021-09-15
Definition date:	2021-07-21
Last modified:	2021-09-10
Release status:	REL
Processing site:	RCSB
Derived from:	7RJE