A1A0G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C04	sing	1.51Å	1.51Å
C04	C03	doub	1.38Å	1.39Å	Aromatic
C04	C05	sing	1.39Å	1.38Å	Aromatic
C03	C02	sing	1.39Å	1.39Å	Aromatic
C05	C06	doub	1.39Å	1.38Å	Aromatic
C02	N02	sing	1.39Å	1.35Å
C02	N01	doub	1.32Å	1.35Å	Aromatic
C06	N01	sing	1.33Å	1.36Å	Aromatic
C06	C11	sing	1.48Å	1.48Å
C11	C16	doub	1.39Å	1.38Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.40Å	Aromatic
C15	C17	sing	1.51Å	1.51Å
C15	C14	doub	1.38Å	1.39Å	Aromatic
C17	N18	sing	1.47Å	1.48Å
C13	C14	sing	1.38Å	1.39Å	Aromatic
C13	CL1	sing	1.74Å	1.79Å
N18	C19	sing	1.47Å	1.47Å
C12	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.09Å	1.10Å
C17	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
N02	H14	sing	0.97Å	1.00Å
N02	H15	sing	0.97Å	1.00Å
N18	H16	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C04	C03	120.7°	120.7°
C07	C04	C05	119.3°	120.7°
C04	C07	H8	109.5°	109.5°
C04	C07	H9	109.5°	109.5°
C04	C07	H10	109.5°	109.4°
C03	C04	C05	120.0°	118.6°
C04	C03	C02	119.8°	119.3°
C04	C03	H6	120.1°	120.4°
C04	C05	C06	118.6°	119.2°
C04	C05	H7	120.7°	120.3°
C03	C02	N02	120.0°	119.7°
C03	C02	N01	119.5°	120.7°
C02	C03	H6	120.1°	120.3°
C05	C06	N01	121.1°	120.6°
C05	C06	C11	119.1°	119.7°
C06	C05	H7	120.7°	120.4°
N02	C02	N01	120.4°	119.6°
C02	N02	H14	109.5°	120.0°
C02	N02	H15	109.4°	120.0°
C02	N01	C06	121.1°	121.5°
N01	C06	C11	119.8°	119.7°
C06	C11	C16	114.5°	120.1°
C06	C11	C12	124.9°	120.1°
C16	C11	C12	120.5°	119.7°
C11	C16	C15	120.2°	119.9°
C11	C16	H3	119.9°	120.1°
C11	C12	C13	119.0°	119.8°
C11	C12	H1	120.5°	120.0°
C16	C15	C17	118.9°	120.0°
C16	C15	C14	120.3°	120.1°
C15	C16	H3	119.9°	120.0°
C12	C13	C14	120.4°	120.1°
C12	C13	CL1	121.8°	119.9°
C13	C12	H1	120.5°	120.1°
C17	C15	C14	120.8°	120.0°
C15	C17	N18	107.5°	109.4°
C15	C17	H4	110.0°	109.5°
C15	C17	H5	110.0°	109.5°
C15	C14	C13	119.5°	120.2°
C15	C14	H2	120.2°	119.8°
C17	N18	C19	108.7°	111.0°
N18	C17	H4	110.0°	109.5°
N18	C17	H5	110.0°	109.5°
C17	N18	H16	109.7°	111.0°
C14	C13	CL1	117.7°	120.0°
C13	C14	H2	120.3°	119.9°
N18	C19	H11	109.5°	109.5°
N18	C19	H12	109.5°	109.5°
N18	C19	H13	109.5°	109.5°
C19	N18	H16	109.7°	111.0°
H4	C17	H5	109.4°	109.5°
H8	C07	H9	109.4°	109.5°
H8	C07	H10	109.5°	109.4°
H9	C07	H10	109.5°	109.6°
H11	C19	H12	109.5°	109.5°
H11	C19	H13	109.5°	109.5°
H12	C19	H13	109.4°	109.4°
H14	N02	H15	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C04	C03	C05	179.8°	180.0°
C07	C04	C03	C02	179.9°	180.0°
C07	C04	C05	C06	179.9°	180.0°
C07	C04	C03	H6	0.0°	0.1°
C07	C04	C05	H7	0.1°	0.0°
C04	C07	H8	H9	120.0°	120.0°
C04	C07	H8	H10	120.0°	119.9°
C04	C07	H9	H10	120.0°	120.0°
C04	C03	C02	H6	180.0°	179.9°
C03	C04	C05	C06	0.0°	0.1°
C04	C03	C02	N02	179.4°	180.0°
C04	C03	C02	N01	0.7°	0.3°
C03	C04	C05	H7	180.0°	180.0°
C03	C04	C07	H8	90.1°	90.0°
C03	C04	C07	H9	149.9°	150.0°
C03	C04	C07	H10	29.9°	30.0°
C05	C04	C03	C02	0.2°	0.1°
C04	C05	C06	H7	180.0°	179.9°
C04	C05	C06	N01	1.1°	0.3°
C04	C05	C06	C11	178.0°	179.9°
C05	C04	C03	H6	179.8°	180.0°
C05	C04	C07	H8	90.1°	90.0°
C05	C04	C07	H9	29.9°	30.0°
C05	C04	C07	H10	149.9°	150.1°
C03	C02	N02	N01	178.7°	179.7°
C03	C02	N01	C06	1.8°	0.6°
C03	C02	N02	H14	178.7°	179.8°
C03	C02	N02	H15	58.7°	0.3°
C05	C06	N01	C02	2.1°	0.6°
C05	C06	N01	C11	176.8°	179.8°
C05	C06	C11	C16	128.5°	180.0°
C05	C06	C11	C12	48.4°	0.3°
N02	C02	N01	C06	179.5°	179.7°
N02	C02	C03	H6	0.6°	0.1°
C02	N02	H14	H15	120.0°	180.0°
C02	N01	C06	C11	178.9°	179.7°
N01	C02	C03	H6	179.3°	179.8°
N01	C02	N02	H14	0.0°	0.0°
N01	C02	N02	H15	120.0°	180.0°
N01	C06	C11	C16	48.4°	0.2°
N01	C06	C11	C12	134.7°	179.4°
N01	C06	C05	H7	178.9°	179.8°
C06	C11	C16	C12	177.0°	179.6°
C06	C11	C16	C15	179.9°	179.7°
C06	C11	C12	C13	178.6°	179.7°
C06	C11	C12	H1	1.3°	0.4°
C06	C11	C16	H3	0.1°	0.3°
C11	C06	C05	H7	2.0°	0.0°
C11	C16	C15	H3	180.0°	180.0°
C16	C11	C12	C13	1.9°	0.1°
C11	C16	C15	C17	177.5°	180.0°
C11	C16	C15	C14	2.5°	0.0°
C16	C11	C12	H1	178.1°	180.0°
C12	C11	C16	C15	2.9°	0.0°
C11	C12	C13	H1	180.0°	179.9°
C11	C12	C13	C14	0.6°	0.0°
C11	C12	C13	CL1	179.3°	180.0°
C12	C11	C16	H3	177.1°	179.9°
C16	C15	C17	C14	180.0°	179.9°
C16	C15	C17	N18	57.2°	90.0°
C16	C15	C14	C13	1.2°	0.0°
C16	C15	C14	H2	178.8°	179.9°
C16	C15	C17	H4	176.9°	29.9°
C16	C15	C17	H5	62.5°	150.0°
C12	C13	C14	C15	0.2°	0.0°
C12	C13	C14	CL1	179.9°	180.0°
C12	C13	C14	H2	179.7°	179.9°
C15	C17	N18	H4	119.7°	120.0°
C15	C17	N18	H5	119.7°	120.0°
C17	C15	C14	C13	178.8°	180.0°
C15	C17	N18	C19	50.4°	180.0°
C17	C15	C14	H2	1.2°	0.0°
C17	C15	C16	H3	2.5°	0.1°
C15	C17	H4	H5	120.9°	120.0°
C15	C17	N18	H16	170.3°	56.1°
C14	C15	C17	N18	122.8°	90.0°
C15	C14	C13	H2	180.0°	179.9°
C15	C14	C13	CL1	179.7°	180.0°
C14	C15	C16	H3	177.5°	180.0°
C14	C15	C17	H4	3.1°	150.0°
C14	C15	C17	H5	117.5°	30.0°
C17	N18	C19	H16	119.9°	123.9°
N18	C17	H4	H5	120.9°	120.0°
C17	N18	C19	H11	180.0°	60.0°
C17	N18	C19	H12	60.0°	60.0°
C17	N18	C19	H13	60.0°	180.0°
C14	C13	C12	H1	179.4°	180.0°
CL1	C13	C12	H1	0.7°	0.1°
CL1	C13	C14	H2	0.3°	0.1°
C19	N18	C17	H4	69.3°	60.0°
C19	N18	C17	H5	170.1°	60.0°
N18	C19	H11	H12	120.0°	120.1°
N18	C19	H11	H13	120.0°	120.0°
N18	C19	H12	H13	120.0°	120.0°
H4	C17	N18	H16	50.6°	176.1°
H5	C17	N18	H16	70.0°	63.9°
H8	C07	H9	H10	120.0°	120.0°
H11	C19	H12	H13	120.0°	119.9°
H11	C19	N18	H16	60.1°	176.1°
H12	C19	N18	H16	179.9°	63.9°
H13	C19	N18	H16	59.9°	56.1°

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