A1BED

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C09	doub	1.38Å	1.37Å	Aromatic
C08	C07	sing	1.38Å	1.38Å	Aromatic
C09	C10	sing	1.39Å	1.45Å	Aromatic
C07	C06	doub	1.38Å	1.41Å	Aromatic
C10	C01	sing	1.51Å	1.57Å
C10	C05	doub	1.38Å	1.35Å	Aromatic
C06	C05	sing	1.39Å	1.40Å	Aromatic
C01	C02	sing	1.53Å	1.56Å
C05	C04	sing	1.51Å	1.55Å
C02	N03	sing	1.47Å	1.46Å
C04	N03	sing	1.47Å	1.44Å
C04	C11	sing	1.51Å	1.57Å
C11	C12	doub	1.38Å	1.40Å	Aromatic
C11	C16	sing	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.41Å	Aromatic
C16	C15	doub	1.38Å	1.42Å	Aromatic
C13	C14	doub	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C02	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C04	H5	sing	1.09Å	1.10Å
C06	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.08Å	1.08Å
C08	H8	sing	1.08Å	1.08Å
C09	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
N03	H15	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C08	C07	119.9°	119.8°
C08	C09	C10	119.2°	120.4°
C09	C08	H8	120.0°	120.1°
C08	C09	H9	120.4°	119.8°
C08	C07	C06	120.6°	119.9°
C08	C07	H7	119.7°	120.1°
C07	C08	H8	120.1°	120.1°
C09	C10	C01	117.7°	118.5°
C09	C10	C05	121.2°	119.8°
C10	C09	H9	120.4°	119.8°
C07	C06	C05	120.4°	120.4°
C07	C06	H6	119.8°	119.8°
C06	C07	H7	119.7°	120.0°
C01	C10	C05	121.1°	121.6°
C10	C01	C02	111.7°	110.0°
C10	C01	H1	108.9°	109.4°
C10	C01	H2	108.9°	109.3°
C10	C05	C06	118.8°	119.7°
C10	C05	C04	120.7°	121.9°
C06	C05	C04	120.5°	118.4°
C05	C06	H6	119.8°	119.8°
C01	C02	N03	110.5°	108.5°
C02	C01	H1	108.9°	109.4°
C02	C01	H2	108.9°	109.4°
C01	C02	H3	109.2°	109.7°
C01	C02	H4	109.2°	109.6°
C05	C04	N03	115.3°	110.5°
C05	C04	C11	115.2°	109.3°
C05	C04	H5	106.3°	109.2°
C02	N03	C04	113.6°	110.3°
N03	C02	H3	109.2°	109.6°
N03	C02	H4	109.2°	109.7°
C02	N03	H15	108.4°	111.0°
N03	C04	C11	105.7°	109.3°
N03	C04	H5	107.6°	109.3°
C04	N03	H15	108.5°	111.0°
C04	C11	C12	117.4°	120.0°
C04	C11	C16	122.9°	120.0°
C11	C04	H5	106.1°	109.3°
C12	C11	C16	119.7°	120.0°
C11	C12	C13	121.1°	120.0°
C11	C12	H10	119.4°	120.0°
C11	C16	C15	119.6°	120.0°
C11	C16	H14	120.2°	120.0°
C12	C13	C14	119.0°	120.0°
C13	C12	H10	119.5°	120.0°
C12	C13	H11	120.5°	120.0°
C16	C15	C14	120.3°	120.0°
C16	C15	H13	119.8°	120.0°
C15	C16	H14	120.2°	120.0°
C13	C14	C15	120.2°	120.0°
C14	C13	H11	120.5°	120.0°
C13	C14	H12	119.9°	120.0°
C15	C14	H12	119.9°	120.0°
C14	C15	H13	119.8°	120.0°
H1	C01	H2	109.5°	109.4°
H3	C02	H4	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C08	C07	H8	180.0°	179.9°
C08	C09	C10	H9	180.0°	180.0°
C09	C08	C07	C06	0.4°	0.0°
C08	C09	C10	C01	179.8°	179.8°
C08	C09	C10	C05	0.3°	0.1°
C09	C08	C07	H7	179.6°	179.9°
C07	C08	C09	C10	0.1°	0.0°
C08	C07	C06	H7	180.0°	180.0°
C08	C07	C06	C05	1.2°	0.1°
C08	C07	C06	H6	178.8°	180.0°
C07	C08	C09	H9	179.9°	180.0°
C09	C10	C01	C05	179.9°	179.9°
C09	C10	C05	C06	1.1°	0.2°
C09	C10	C01	C02	162.7°	163.3°
C09	C10	C05	C04	179.0°	179.8°
C09	C10	C01	H1	42.3°	76.6°
C09	C10	C01	H2	77.0°	43.2°
C10	C09	C08	H8	179.9°	179.9°
C07	C06	C05	C10	1.5°	0.2°
C07	C06	C05	H6	180.0°	179.9°
C07	C06	C05	C04	179.4°	179.8°
C06	C07	C08	H8	179.6°	179.9°
C01	C10	C05	C06	179.0°	179.7°
C10	C01	C02	H1	120.4°	120.2°
C10	C01	C02	H2	120.3°	120.0°
C01	C10	C05	C04	1.1°	0.3°
C10	C01	C02	N03	45.9°	50.4°
C10	C01	H1	H2	118.9°	119.6°
C10	C01	C02	H3	74.2°	69.3°
C10	C01	C02	H4	166.1°	170.1°
C01	C10	C09	H9	0.2°	0.2°
C10	C05	C06	C04	177.9°	180.0°
C05	C10	C01	C02	17.4°	16.9°
C10	C05	C04	N03	13.6°	17.4°
C10	C05	C04	C11	137.3°	137.7°
C05	C10	C01	H1	137.8°	103.3°
C05	C10	C01	H2	102.9°	137.0°
C10	C05	C04	H5	105.5°	102.8°
C10	C05	C06	H6	178.5°	179.9°
C05	C10	C09	H9	179.7°	179.9°
C06	C05	C04	N03	168.5°	162.6°
C06	C05	C04	C11	44.9°	42.3°
C06	C05	C04	H5	72.3°	77.2°
C05	C06	C07	H7	178.8°	179.9°
C01	C02	N03	H3	120.1°	119.7°
C01	C02	N03	H4	120.1°	119.7°
C01	C02	N03	C04	61.0°	71.3°
C02	C01	H1	H2	119.0°	119.8°
C01	C02	H3	H4	119.5°	120.5°
C01	C02	N03	H15	178.3°	165.3°
C05	C04	N03	C02	44.4°	52.5°
C05	C04	N03	C11	128.5°	120.3°
C05	C04	N03	H5	118.4°	120.2°
C05	C04	C11	H5	117.4°	119.5°
C05	C04	C11	C12	153.7°	99.0°
C05	C04	C11	C16	27.6°	81.3°
C04	C05	C06	H6	0.6°	0.1°
C05	C04	N03	H15	165.0°	175.9°
C02	N03	C04	H15	120.6°	123.4°
C02	N03	C04	C11	172.9°	172.7°
N03	C02	C01	H1	166.3°	69.8°
N03	C02	C01	H2	74.4°	170.4°
N03	C02	H3	H4	119.5°	120.5°
C02	N03	C04	H5	74.1°	67.7°
N03	C04	C11	H5	114.1°	119.5°
N03	C04	C11	C12	77.7°	140.0°
N03	C04	C11	C16	101.0°	39.7°
C04	N03	C02	H3	59.1°	48.4°
C04	N03	C02	H4	178.8°	169.0°
C04	C11	C12	C16	178.7°	179.7°
C04	C11	C12	C13	179.5°	180.0°
C04	C11	C16	C15	179.9°	179.8°
C04	C11	C12	H10	0.5°	0.0°
C04	C11	C16	H14	0.1°	0.0°
C11	C04	N03	H15	66.5°	63.8°
C11	C12	C13	H10	180.0°	180.0°
C12	C11	C16	C15	1.3°	0.5°
C11	C12	C13	C14	0.1°	0.0°
C12	C11	C04	H5	36.4°	20.5°
C11	C12	C13	H11	179.9°	180.0°
C12	C11	C16	H14	178.7°	179.7°
C16	C11	C12	C13	0.8°	0.3°
C11	C16	C15	H14	180.0°	179.8°
C11	C16	C15	C14	1.0°	0.5°
C16	C11	C04	H5	145.0°	159.2°
C16	C11	C12	H10	179.2°	179.8°
C11	C16	C15	H13	179.0°	179.7°
C12	C13	C14	H11	180.0°	180.0°
C12	C13	C14	C15	0.2°	0.0°
C12	C13	C14	H12	179.8°	180.0°
C16	C15	C14	C13	0.2°	0.2°
C16	C15	C14	H13	180.0°	179.8°
C16	C15	C14	H12	179.8°	179.8°
C13	C14	C15	H12	180.0°	180.0°
C14	C13	C12	H10	179.9°	180.0°
C13	C14	C15	H13	179.8°	180.0°
C15	C14	C13	H11	179.8°	180.0°
C14	C15	C16	H14	179.0°	179.8°
H1	C01	C02	H3	46.1°	170.6°
H1	C01	C02	H4	73.6°	50.0°
H2	C01	C02	H3	165.5°	50.7°
H2	C01	C02	H4	45.8°	69.8°
H3	C02	N03	H15	61.5°	75.0°
H4	C02	N03	H15	58.2°	45.6°
H5	C04	N03	H15	46.5°	55.7°
H6	C06	C07	H7	1.2°	0.0°
H7	C07	C08	H8	0.4°	0.1°
H8	C08	C09	H9	0.1°	0.1°
H10	C12	C13	H11	0.1°	0.0°
H11	C13	C14	H12	0.2°	0.0°
H12	C14	C15	H13	0.2°	0.1°
H13	C15	C16	H14	1.0°	0.1°

Release date:	2026-04-08
Definition date:	2024-10-28
Last modified:	2026-04-03
Release status:	REL
Processing site:	RCSB
Derived from:	9DN9