A1JFC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	doub	1.22Å	1.26Å
O03	C02	sing	1.35Å	1.26Å
C04	C02	sing	1.47Å	1.53Å
C05	C04	doub	1.40Å	1.39Å	Aromatic
C06	C05	sing	1.38Å	1.39Å	Aromatic
C08	N07	sing	1.35Å	1.45Å
O09	C08	doub	1.22Å	1.18Å
N10	C08	sing	1.35Å	1.45Å
C11	N10	sing	1.46Å	1.45Å
C12	C11	sing	1.51Å	1.53Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C17	C16	doub	1.38Å	1.39Å	Aromatic
N07	C06	sing	1.40Å	1.45Å
C18	C06	doub	1.39Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.39Å	Aromatic
C20	C19	doub	1.39Å	1.38Å	Aromatic
O21	C20	sing	1.36Å	1.40Å
C04	C20	sing	1.40Å	1.39Å	Aromatic
C12	C17	sing	1.38Å	1.39Å	Aromatic
H051	C05	sing	1.08Å	1.08Å
H071	N07	sing	0.97Å	1.00Å
H101	N10	sing	0.97Å	1.00Å
H111	C11	sing	1.09Å	1.10Å
H112	C11	sing	1.09Å	1.10Å
H131	C13	sing	1.08Å	1.08Å
H141	C14	sing	1.08Å	1.08Å
H151	C15	sing	1.08Å	1.08Å
H161	C16	sing	1.08Å	1.08Å
H171	C17	sing	1.08Å	1.08Å
H181	C18	sing	1.08Å	1.08Å
H191	C19	sing	1.08Å	1.08Å
H211	O21	sing	0.97Å	0.95Å
O03	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	O03	120.0°	120.0°
O01	C02	C04	119.9°	120.0°
O03	C02	C04	120.0°	120.0°
C02	O03	H1	109.5°	117.0°
C02	C04	C05	120.0°	120.1°
C02	C04	C20	120.0°	120.1°
C04	C05	C06	120.0°	119.8°
C05	C04	C20	120.0°	119.7°
C04	C05	H051	120.0°	120.1°
C05	C06	N07	120.0°	119.9°
C05	C06	C18	120.0°	120.1°
C06	C05	H051	120.0°	120.0°
N07	C08	O09	120.0°	120.0°
N07	C08	N10	119.9°	120.0°
C08	N07	C06	119.9°	120.0°
C08	N07	H071	120.0°	120.0°
O09	C08	N10	120.0°	120.0°
C08	N10	C11	120.0°	119.9°
C08	N10	H101	120.0°	120.0°
N10	C11	C12	110.4°	109.5°
C11	N10	H101	120.0°	120.0°
N10	C11	H111	109.2°	109.5°
N10	C11	H112	109.3°	109.5°
C11	C12	C13	120.0°	120.0°
C11	C12	C17	119.9°	120.0°
C12	C11	H111	109.3°	109.4°
C12	C11	H112	109.2°	109.4°
C12	C13	C14	120.1°	120.0°
C13	C12	C17	119.9°	120.0°
C12	C13	H131	120.0°	120.0°
C13	C14	C15	120.0°	120.0°
C14	C13	H131	120.0°	120.1°
C13	C14	H141	120.0°	119.9°
C14	C15	C16	120.0°	120.0°
C15	C14	H141	120.0°	120.0°
C14	C15	H151	120.0°	120.0°
C15	C16	C17	120.0°	120.1°
C16	C15	H151	120.0°	120.0°
C15	C16	H161	120.0°	119.9°
C16	C17	C12	120.0°	119.9°
C17	C16	H161	120.0°	120.0°
C16	C17	H171	120.0°	120.1°
N07	C06	C18	120.0°	119.9°
C06	N07	H071	120.1°	120.0°
C06	C18	C19	120.0°	120.3°
C06	C18	H181	120.0°	119.8°
C18	C19	C20	120.0°	120.2°
C19	C18	H181	120.0°	119.9°
C18	C19	H191	120.0°	119.9°
C19	C20	O21	120.0°	120.0°
C19	C20	C04	120.0°	119.8°
C20	C19	H191	120.0°	119.9°
O21	C20	C04	119.9°	120.2°
C20	O21	H211	109.5°	114.0°
C12	C17	H171	120.0°	120.0°
H111	C11	H112	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	O03	C04	178.6°	179.7°
O01	C02	C04	C05	93.2°	179.7°
O01	C02	C04	C20	87.4°	0.0°
O01	C02	O03	H1	0.0°	0.0°
O03	C02	C04	C05	88.2°	0.0°
O03	C02	C04	C20	91.2°	179.7°
C02	C04	C05	C20	179.4°	179.7°
C02	C04	C05	C06	179.5°	180.0°
C02	C04	C20	C19	179.5°	179.7°
C02	C04	C20	O21	3.0°	0.0°
C02	C04	C05	H051	0.5°	0.1°
C04	C02	O03	H1	178.6°	179.7°
C04	C05	C06	H051	180.0°	180.0°
C04	C05	C06	N07	179.7°	180.0°
C04	C05	C06	C18	0.1°	0.0°
C05	C04	C20	C19	0.0°	0.5°
C05	C04	C20	O21	177.6°	179.7°
C05	C06	N07	C08	109.1°	33.4°
C05	C06	N07	C18	179.7°	180.0°
C05	C06	C18	C19	0.0°	0.0°
C06	C05	C04	C20	0.1°	0.3°
C05	C06	N07	H071	70.9°	146.6°
C05	C06	C18	H181	180.0°	180.0°
N07	C08	O09	N10	178.4°	179.9°
N07	C08	N10	C11	179.2°	180.0°
C08	N07	C06	H071	180.0°	180.0°
C08	N07	C06	C18	70.6°	146.6°
N07	C08	N10	H101	0.8°	0.0°
O09	C08	N10	C11	2.5°	0.0°
O09	C08	N07	C06	20.5°	5.4°
O09	C08	N07	H071	159.5°	174.7°
O09	C08	N10	H101	177.6°	180.0°
C08	N10	C11	H101	180.0°	180.0°
C08	N10	C11	C12	161.6°	180.0°
N10	C08	N07	C06	161.2°	174.7°
N10	C08	N07	H071	18.9°	5.3°
C08	N10	C11	H111	41.5°	60.0°
C08	N10	C11	H112	78.3°	60.0°
N10	C11	C12	H111	120.1°	120.0°
N10	C11	C12	H112	120.2°	120.0°
N10	C11	C12	C13	76.5°	89.7°
N10	C11	C12	C17	107.8°	90.0°
N10	C11	H111	H112	119.6°	120.1°
C11	C12	C13	C17	175.7°	179.7°
C11	C12	C13	C14	175.8°	180.0°
C11	C12	C17	C16	175.8°	179.8°
C12	C11	N10	H101	18.4°	0.0°
C12	C11	H111	H112	119.6°	119.9°
C11	C12	C13	H131	4.2°	0.1°
C11	C12	C17	H171	4.2°	0.0°
C12	C13	C14	H131	180.0°	180.0°
C12	C13	C14	C15	0.0°	0.0°
C13	C12	C17	C16	0.0°	0.5°
C13	C12	C11	H111	43.6°	150.3°
C13	C12	C11	H112	163.3°	30.3°
C12	C13	C14	H141	180.0°	180.0°
C13	C12	C17	H171	180.0°	179.7°
C13	C14	C15	H141	180.0°	180.0°
C13	C14	C15	C16	0.0°	0.1°
C14	C13	C12	C17	0.0°	0.3°
C13	C14	C15	H151	180.0°	180.0°
C14	C15	C16	H151	180.0°	179.9°
C14	C15	C16	C17	0.0°	0.1°
C15	C14	C13	H131	180.0°	180.0°
C14	C15	C16	H161	180.0°	180.0°
C15	C16	C17	H161	180.0°	179.9°
C15	C16	C17	C12	0.0°	0.4°
C16	C15	C14	H141	180.0°	179.9°
C15	C16	C17	H171	180.0°	179.8°
C16	C17	C12	H171	180.0°	179.8°
C17	C16	C15	H151	180.0°	179.8°
N07	C06	C18	C19	179.7°	180.0°
N07	C06	C05	H051	0.3°	0.1°
N07	C06	C18	H181	0.3°	0.0°
C06	C18	C19	H181	180.0°	179.9°
C06	C18	C19	C20	0.0°	0.3°
C18	C06	C05	H051	179.9°	180.0°
C18	C06	N07	H071	109.4°	33.4°
C06	C18	C19	H191	180.0°	180.0°
C18	C19	C20	H191	180.0°	179.7°
C18	C19	C20	O21	177.6°	179.7°
C18	C19	C20	C04	0.0°	0.6°
C19	C20	O21	C04	177.6°	179.7°
C20	C19	C18	H181	180.0°	179.7°
C19	C20	O21	H211	180.0°	89.8°
O21	C20	C19	H191	2.4°	0.0°
C20	C04	C05	H051	179.9°	179.8°
C04	C20	C19	H191	180.0°	179.7°
C04	C20	O21	H211	2.4°	90.0°
C17	C12	C11	H111	132.1°	30.0°
C17	C12	C11	H112	12.4°	150.0°
C17	C12	C13	H131	180.0°	179.8°
C12	C17	C16	H161	180.0°	179.7°
H101	N10	C11	H111	138.5°	119.9°
H101	N10	C11	H112	101.8°	120.0°
H131	C13	C14	H141	0.0°	0.0°
H141	C14	C15	H151	0.0°	0.0°
H151	C15	C16	H161	0.0°	0.1°
H161	C16	C17	H171	0.0°	0.1°
H181	C18	C19	H191	0.0°	0.0°

Release date:	2026-06-17
Definition date:	2025-06-04
Last modified:	2026-06-12
Release status:	REL
Processing site:	PDBE
Derived from:	9REV