A1AEI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F08	C05	sing	1.40Å	1.36Å
C21	C20	doub	1.38Å	1.38Å	Aromatic
C21	C22	sing	1.38Å	1.38Å	Aromatic
C05	F06	sing	1.40Å	1.36Å
C05	F07	sing	1.40Å	1.36Å
C05	C04	sing	1.51Å	1.53Å
C20	C19	sing	1.38Å	1.38Å	Aromatic
C22	C12	doub	1.39Å	1.38Å	Aromatic
C04	C03	doub	1.39Å	1.38Å	Aromatic
C04	N09	sing	1.32Å	1.32Å	Aromatic
C03	C02	sing	1.39Å	1.39Å	Aromatic
N09	C10	doub	1.32Å	1.32Å	Aromatic
C19	C13	doub	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.40Å	1.38Å	Aromatic
C12	N11	sing	1.39Å	1.46Å
C02	N23	doub	1.32Å	1.32Å	Aromatic
C02	C01	sing	1.51Å	1.52Å
C10	N23	sing	1.32Å	1.32Å	Aromatic
C10	N11	sing	1.39Å	1.46Å
C13	C14	sing	1.48Å	1.53Å
N15	C14	sing	1.36Å	1.34Å	Aromatic
N15	N16	sing	1.41Å	1.35Å	Aromatic
C14	N18	doub	1.32Å	1.34Å	Aromatic
N16	N17	doub	1.29Å	1.33Å	Aromatic
N18	N17	sing	1.28Å	1.36Å	Aromatic
C20	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.08Å	1.08Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
N11	H9	sing	0.97Å	1.00Å
N15	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F08	C05	F06	109.9°	109.5°
F08	C05	F07	109.0°	109.5°
F08	C05	C04	109.5°	109.4°
C20	C21	C22	119.7°	120.3°
C21	C20	C19	119.6°	120.3°
C21	C20	H1	120.2°	119.8°
C20	C21	H2	120.1°	119.9°
C21	C22	C12	121.1°	120.0°
C22	C21	H2	120.1°	119.8°
C21	C22	H3	119.5°	120.0°
F06	C05	F07	109.2°	109.5°
F06	C05	C04	109.8°	109.5°
F07	C05	C04	109.6°	109.5°
C05	C04	C03	120.9°	120.4°
C05	C04	N09	120.0°	120.4°
C20	C19	C13	120.4°	119.9°
C19	C20	H1	120.2°	119.8°
C20	C19	H8	119.8°	120.0°
C22	C12	C13	118.7°	119.7°
C22	C12	N11	123.8°	120.1°
C12	C22	H3	119.5°	120.0°
C03	C04	N09	119.1°	119.2°
C04	C03	C02	117.5°	118.6°
C04	C03	H7	121.2°	120.7°
C04	N09	C10	122.3°	120.8°
C03	C02	N23	119.5°	119.1°
C03	C02	C01	120.7°	120.4°
C02	C03	H7	121.3°	120.7°
N09	C10	N23	119.9°	121.6°
N09	C10	N11	123.6°	119.2°
C19	C13	C12	120.4°	119.7°
C19	C13	C14	118.7°	120.2°
C13	C19	H8	119.8°	120.1°
C13	C12	N11	117.5°	120.2°
C12	C13	C14	120.9°	120.1°
C12	N11	C10	129.2°	120.1°
C12	N11	H9	115.4°	120.0°
N23	C02	C01	119.8°	120.4°
C02	N23	C10	121.7°	120.7°
C02	C01	H4	109.5°	109.4°
C02	C01	H5	109.4°	109.5°
C02	C01	H6	109.5°	109.5°
N23	C10	N11	116.5°	119.2°
C10	N11	H9	115.4°	120.0°
C13	C14	N15	125.9°	126.4°
C13	C14	N18	126.2°	126.5°
C14	N15	N16	108.3°	105.2°
N15	C14	N18	107.9°	107.1°
C14	N15	H10	125.8°	127.5°
N15	N16	N17	107.9°	106.9°
N16	N15	H10	125.8°	127.4°
C14	N18	N17	107.9°	110.5°
N16	N17	N18	108.0°	110.4°
H4	C01	H5	109.5°	109.5°
H4	C01	H6	109.5°	109.5°
H5	C01	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F08	C05	F06	F07	119.5°	120.0°
F08	C05	F06	C04	120.4°	120.0°
F08	C05	F07	C04	119.8°	120.0°
F08	C05	C04	C03	95.5°	30.0°
F08	C05	C04	N09	84.7°	149.3°
C20	C21	C22	H2	180.0°	179.7°
C21	C20	C19	H1	180.0°	179.9°
C20	C21	C22	C12	0.4°	0.3°
C21	C20	C19	C13	0.7°	0.0°
C20	C21	C22	H3	179.7°	179.9°
C21	C20	C19	H8	179.3°	180.0°
C22	C21	C20	C19	0.6°	0.3°
C21	C22	C12	H3	180.0°	179.6°
C21	C22	C12	C13	0.3°	0.1°
C21	C22	C12	N11	179.7°	180.0°
C22	C21	C20	H1	179.4°	179.7°
F06	C05	F07	C04	120.2°	120.0°
F06	C05	C04	C03	25.1°	90.0°
F06	C05	C04	N09	154.6°	90.7°
F07	C05	C04	C03	145.0°	150.0°
F07	C05	C04	N09	34.8°	29.3°
C05	C04	C03	N09	179.8°	179.3°
C05	C04	C03	C02	179.9°	180.0°
C05	C04	N09	C10	179.7°	179.8°
C05	C04	C03	H7	0.1°	0.4°
C20	C19	C13	H8	180.0°	180.0°
C20	C19	C13	C12	0.7°	0.3°
C20	C19	C13	C14	179.3°	180.0°
C19	C20	C21	H2	179.4°	179.9°
C22	C12	C13	C19	0.4°	0.2°
C22	C12	C13	N11	180.0°	179.9°
C22	C12	N11	C10	7.2°	37.0°
C22	C12	C13	C14	179.5°	180.0°
C12	C22	C21	H2	179.6°	180.0°
C22	C12	N11	H9	172.8°	143.1°
C04	C03	C02	H7	180.0°	179.5°
C03	C04	N09	C10	0.5°	0.5°
C04	C03	C02	N23	0.0°	0.5°
C04	C03	C02	C01	180.0°	179.5°
N09	C04	C03	C02	0.1°	0.7°
C04	N09	C10	N23	0.8°	0.0°
C04	N09	C10	N11	179.9°	179.7°
N09	C04	C03	H7	179.9°	179.7°
C03	C02	N23	C01	180.0°	180.0°
C03	C02	N23	C10	0.3°	0.0°
C03	C02	C01	H4	180.0°	90.0°
C03	C02	C01	H5	60.0°	30.0°
C03	C02	C01	H6	60.0°	150.0°
N09	C10	N11	C12	25.0°	5.4°
N09	C10	N23	C02	0.6°	0.2°
N09	C10	N23	N11	179.1°	179.7°
N09	C10	N11	H9	155.0°	174.5°
C19	C13	C12	C14	180.0°	179.8°
C19	C13	C12	N11	179.6°	179.7°
C19	C13	C14	N15	124.7°	0.5°
C19	C13	C14	N18	54.0°	179.7°
C13	C19	C20	H1	179.2°	180.0°
C13	C12	N11	C10	172.8°	142.9°
C12	C13	C14	N15	55.2°	179.7°
C12	C13	C14	N18	126.1°	0.0°
C13	C12	C22	H3	179.7°	179.7°
C12	C13	C19	H8	179.4°	179.8°
C13	C12	N11	H9	7.2°	37.0°
C12	N11	C10	N23	155.8°	174.3°
C12	N11	C10	H9	180.0°	179.9°
N11	C12	C13	C14	0.5°	0.1°
N11	C12	C22	H3	0.3°	0.4°
C02	N23	C10	N11	179.8°	179.9°
N23	C02	C01	H4	0.0°	90.0°
N23	C02	C01	H5	120.0°	150.0°
N23	C02	C01	H6	120.0°	29.9°
N23	C02	C03	H7	180.0°	179.9°
C01	C02	N23	C10	179.7°	180.0°
C02	C01	H4	H5	120.0°	120.0°
C02	C01	H4	H6	120.0°	119.9°
C02	C01	H5	H6	120.0°	120.0°
C01	C02	C03	H7	0.0°	0.0°
N23	C10	N11	H9	24.1°	5.7°
C13	C14	N15	N18	178.9°	179.8°
C13	C14	N15	N16	179.3°	180.0°
C13	C14	N18	N17	179.3°	179.8°
C14	C13	C19	H8	0.7°	0.0°
C13	C14	N15	H10	0.8°	0.0°
C14	N15	N16	H10	180.0°	180.0°
C14	N15	N16	N17	0.2°	0.1°
N15	C14	N18	N17	0.4°	0.4°
N16	N15	C14	N18	0.4°	0.2°
N15	N16	N17	N18	0.0°	0.3°
C14	N18	N17	N16	0.3°	0.5°
N18	C14	N15	H10	179.7°	179.8°
N17	N16	N15	H10	179.8°	179.9°
H1	C20	C21	H2	0.6°	0.0°
H1	C20	C19	H8	0.7°	0.1°
H2	C21	C22	H3	0.4°	0.4°
H4	C01	H5	H6	120.0°	120.1°

Release date:	2024-04-03
Definition date:	2024-02-08
Last modified:	2024-03-29
Release status:	REL
Processing site:	RCSB
Derived from:	8VY9