A1A0H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C04	sing	1.51Å	1.51Å
C04	C05	doub	1.39Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.39Å	1.39Å	Aromatic
C03	C02	doub	1.39Å	1.39Å	Aromatic
C06	C11	sing	1.48Å	1.48Å
C06	N01	doub	1.33Å	1.34Å	Aromatic
C02	N01	sing	1.32Å	1.35Å	Aromatic
C02	N02	sing	1.39Å	1.36Å
C12	C11	doub	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C11	C16	sing	1.39Å	1.39Å	Aromatic
F13	C13	sing	1.35Å	1.34Å
C13	C14	doub	1.39Å	1.40Å	Aromatic
C16	C15	doub	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.40Å	Aromatic
C15	C17	sing	1.51Å	1.51Å
C17	N18	sing	1.47Å	1.47Å
C19	N18	sing	1.47Å	1.47Å
C14	H1	sing	1.08Å	1.08Å
C16	H2	sing	1.08Å	1.08Å
N18	H3	sing	1.01Å	1.00Å
C03	H5	sing	1.08Å	1.08Å
C05	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.09Å	1.10Å
C19	H15	sing	1.09Å	1.10Å
N02	H16	sing	0.97Å	1.00Å
N02	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C04	C05	119.8°	120.7°
C07	C04	C03	121.1°	120.7°
C04	C07	H7	109.5°	109.5°
C04	C07	H8	109.5°	109.5°
C04	C07	H9	109.4°	109.5°
C05	C04	C03	119.1°	118.6°
C04	C05	C06	119.6°	119.3°
C04	C05	H6	120.2°	120.4°
C04	C03	C02	119.5°	119.3°
C04	C03	H5	120.3°	120.3°
C05	C06	C11	118.1°	119.7°
C05	C06	N01	120.5°	120.6°
C06	C05	H6	120.2°	120.4°
C03	C02	N01	120.1°	120.7°
C03	C02	N02	120.5°	119.6°
C02	C03	H5	120.2°	120.4°
C11	C06	N01	121.2°	119.7°
C06	C11	C12	115.7°	120.1°
C06	C11	C16	123.6°	120.1°
C06	N01	C02	121.2°	121.6°
N01	C02	N02	119.4°	119.7°
C02	N02	H16	109.5°	120.0°
C02	N02	H17	109.4°	120.0°
C11	C12	C13	120.2°	119.9°
C12	C11	C16	120.6°	119.7°
C11	C12	H10	119.9°	120.0°
C12	C13	F13	117.8°	119.9°
C12	C13	C14	120.0°	120.1°
C13	C12	H10	119.9°	120.1°
C11	C16	C15	119.6°	120.0°
C11	C16	H2	120.2°	120.0°
F13	C13	C14	122.2°	120.0°
C13	C14	C15	119.7°	120.2°
C13	C14	H1	120.2°	119.9°
C16	C15	C14	119.9°	120.1°
C16	C15	C17	119.5°	119.9°
C15	C16	H2	120.2°	120.0°
C14	C15	C17	120.6°	119.9°
C15	C14	H1	120.2°	119.9°
C15	C17	N18	110.6°	109.5°
C15	C17	H11	109.2°	109.5°
C15	C17	H12	109.2°	109.5°
C17	N18	C19	110.7°	111.0°
C17	N18	H3	109.2°	111.0°
N18	C17	H11	109.2°	109.5°
N18	C17	H12	109.2°	109.5°
C19	N18	H3	109.1°	111.0°
N18	C19	H13	109.5°	109.5°
N18	C19	H14	109.5°	109.5°
N18	C19	H15	109.5°	109.5°
H7	C07	H8	109.5°	109.5°
H7	C07	H9	109.5°	109.5°
H8	C07	H9	109.5°	109.4°
H11	C17	H12	109.5°	109.5°
H13	C19	H14	109.4°	109.5°
H13	C19	H15	109.4°	109.4°
H14	C19	H15	109.5°	109.5°
H16	N02	H17	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C04	C05	C03	179.5°	180.0°
C07	C04	C05	C06	179.4°	180.0°
C07	C04	C03	C02	179.2°	180.0°
C07	C04	C03	H5	0.8°	0.0°
C07	C04	C05	H6	0.6°	0.0°
C04	C07	H7	H8	120.0°	120.0°
C04	C07	H7	H9	120.0°	120.1°
C04	C07	H8	H9	119.9°	120.0°
C04	C05	C06	H6	180.0°	179.9°
C05	C04	C03	C02	1.3°	0.0°
C04	C05	C06	C11	177.1°	180.0°
C04	C05	C06	N01	2.8°	0.0°
C05	C04	C03	H5	178.7°	180.0°
C05	C04	C07	H7	89.7°	90.0°
C05	C04	C07	H8	150.2°	150.0°
C05	C04	C07	H9	30.3°	30.0°
C03	C04	C05	C06	0.1°	0.0°
C04	C03	C02	H5	180.0°	180.0°
C04	C03	C02	N01	0.1°	0.0°
C04	C03	C02	N02	178.8°	179.7°
C03	C04	C05	H6	179.9°	179.9°
C03	C04	C07	H7	89.8°	90.0°
C03	C04	C07	H8	30.3°	30.0°
C03	C04	C07	H9	150.2°	150.0°
C05	C06	C11	N01	174.3°	180.0°
C05	C06	N01	C02	4.1°	0.0°
C05	C06	C11	C12	122.4°	0.0°
C05	C06	C11	C16	54.1°	180.0°
C03	C02	N01	C06	2.6°	0.0°
C03	C02	N01	N02	178.9°	179.8°
C03	C02	N02	H16	178.9°	179.7°
C03	C02	N02	H17	58.9°	0.2°
C11	C06	N01	C02	178.2°	180.0°
C06	C11	C12	C16	176.6°	180.0°
C06	C11	C12	C13	177.2°	179.7°
C06	C11	C16	C15	176.6°	180.0°
C06	C11	C16	H2	3.4°	0.1°
C11	C06	C05	H6	2.9°	0.0°
C06	C11	C12	H10	2.8°	0.1°
C06	N01	C02	N02	178.5°	179.7°
N01	C06	C11	C12	51.8°	180.0°
N01	C06	C11	C16	131.7°	0.0°
N01	C06	C05	H6	177.2°	179.9°
N01	C02	C03	H5	179.9°	180.0°
N01	C02	N02	H16	0.0°	0.1°
N01	C02	N02	H17	120.0°	180.0°
N02	C02	C03	H5	1.2°	0.3°
C02	N02	H16	H17	120.0°	179.9°
C11	C12	C13	H10	180.0°	179.7°
C11	C12	C13	F13	179.9°	180.0°
C11	C12	C13	C14	0.0°	0.3°
C12	C11	C16	C15	0.3°	0.0°
C12	C11	C16	H2	179.7°	180.0°
C13	C12	C11	C16	0.5°	0.3°
C12	C13	F13	C14	179.9°	179.7°
C12	C13	C14	C15	0.8°	0.0°
C12	C13	C14	H1	179.2°	180.0°
C11	C16	C15	H2	180.0°	179.9°
C11	C16	C15	C14	0.5°	0.2°
C11	C16	C15	C17	179.3°	180.0°
C16	C11	C12	H10	179.5°	180.0°
F13	C13	C14	C15	179.3°	179.7°
F13	C13	C14	H1	0.7°	0.3°
F13	C13	C12	H10	0.1°	0.3°
C13	C14	C15	C16	1.1°	0.2°
C13	C14	C15	H1	180.0°	180.0°
C13	C14	C15	C17	179.8°	180.0°
C14	C13	C12	H10	180.0°	180.0°
C16	C15	C14	C17	178.7°	179.7°
C16	C15	C17	N18	147.3°	90.3°
C16	C15	C14	H1	179.0°	179.7°
C16	C15	C17	H11	27.1°	29.7°
C16	C15	C17	H12	92.6°	149.7°
C14	C15	C17	N18	31.5°	90.0°
C14	C15	C16	H2	179.5°	179.7°
C14	C15	C17	H11	151.6°	150.0°
C14	C15	C17	H12	88.7°	30.0°
C15	C17	N18	H11	120.1°	120.0°
C15	C17	N18	H12	120.2°	120.0°
C15	C17	N18	C19	138.9°	180.0°
C17	C15	C14	H1	0.2°	0.0°
C17	C15	C16	H2	0.7°	0.0°
C15	C17	N18	H3	18.7°	56.1°
C15	C17	H11	H12	119.5°	120.0°
C17	N18	C19	H3	120.2°	124.0°
N18	C17	H11	H12	119.5°	120.0°
C17	N18	C19	H13	180.0°	180.0°
C17	N18	C19	H14	60.0°	60.0°
C17	N18	C19	H15	60.0°	60.0°
C19	N18	C17	H11	100.9°	60.0°
C19	N18	C17	H12	18.8°	60.0°
N18	C19	H13	H14	120.0°	120.0°
N18	C19	H13	H15	120.0°	120.0°
N18	C19	H14	H15	120.0°	120.0°
H3	N18	C17	H11	138.9°	176.0°
H3	N18	C17	H12	101.4°	63.9°
H3	N18	C19	H13	59.8°	56.0°
H3	N18	C19	H14	179.8°	176.0°
H3	N18	C19	H15	60.2°	63.9°
H7	C07	H8	H9	120.0°	120.0°
H13	C19	H14	H15	119.9°	120.0°

Release date:	2025-04-30
Definition date:	2024-07-30
Last modified:	2025-04-25
Release status:	REL
Processing site:	RCSB
Derived from:	9CVV