A1AVV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	sing	1.51Å	1.52Å
O03	C02	doub	1.21Å	1.17Å
N04	C02	sing	1.35Å	1.45Å
C05	N04	sing	1.40Å	1.45Å
C06	C05	doub	1.39Å	1.39Å	Aromatic
C07	C06	sing	1.38Å	1.37Å	Aromatic
C08	C07	doub	1.40Å	1.37Å	Aromatic
C10	C09	trip	1.17Å	1.17Å
C11	C10	sing	1.43Å	1.51Å
C12	C11	doub	1.40Å	1.38Å	Aromatic
C13	C12	sing	1.39Å	1.37Å	Aromatic
N14	C13	sing	1.40Å	1.44Å
C15	C13	doub	1.39Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C17	C16	doub	1.38Å	1.38Å	Aromatic
C09	C08	sing	1.43Å	1.51Å
C18	C08	sing	1.40Å	1.38Å	Aromatic
C19	C18	doub	1.38Å	1.38Å	Aromatic
C05	C19	sing	1.39Å	1.38Å	Aromatic
C11	C17	sing	1.40Å	1.38Å	Aromatic
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C06	H061	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
N04	H041	sing	0.97Å	1.00Å
N14	H141	sing	0.97Å	1.00Å
N14	H142	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	O03	118.7°	120.0°
C01	C02	N04	119.5°	120.0°
C02	C01	H012	109.5°	109.4°
C02	C01	H011	109.5°	109.5°
C02	C01	H013	109.5°	109.5°
O03	C02	N04	121.8°	120.0°
C02	N04	C05	123.5°	120.0°
C02	N04	H041	118.3°	120.1°
N04	C05	C06	123.5°	119.9°
N04	C05	C19	116.9°	119.9°
C05	N04	H041	118.2°	120.0°
C05	C06	C07	120.1°	120.1°
C06	C05	C19	119.6°	120.2°
C05	C06	H061	119.9°	120.0°
C06	C07	C08	119.5°	119.9°
C07	C06	H061	119.9°	119.9°
C06	C07	H071	120.2°	120.1°
C07	C08	C09	119.5°	120.1°
C07	C08	C18	121.1°	119.8°
C08	C07	H071	120.3°	120.0°
C09	C10	C11	173.1°	180.0°
C10	C09	C08	176.6°	179.9°
C10	C11	C12	117.4°	120.1°
C10	C11	C17	121.8°	120.1°
C11	C12	C13	119.7°	119.8°
C12	C11	C17	120.9°	119.7°
C11	C12	H121	120.1°	120.2°
C12	C13	N14	118.2°	120.0°
C12	C13	C15	119.9°	120.0°
C13	C12	H121	120.1°	120.1°
N14	C13	C15	121.8°	120.0°
C13	N14	H141	109.5°	120.0°
C13	N14	H142	109.5°	120.0°
C13	C15	C16	120.1°	120.3°
C13	C15	H151	119.9°	119.9°
C15	C16	C17	120.1°	120.2°
C16	C15	H151	120.0°	119.8°
C15	C16	H161	119.9°	119.9°
C16	C17	C11	119.2°	120.0°
C17	C16	H161	120.0°	119.9°
C16	C17	H171	120.4°	120.0°
C09	C08	C18	119.4°	120.1°
C08	C18	C19	119.4°	119.9°
C08	C18	H181	120.3°	120.0°
C18	C19	C05	120.3°	120.1°
C19	C18	H181	120.3°	120.1°
C18	C19	H191	119.8°	119.9°
C05	C19	H191	119.9°	120.0°
C11	C17	H171	120.4°	120.0°
H012	C01	H011	109.5°	109.4°
H012	C01	H013	109.5°	109.4°
H011	C01	H013	109.5°	109.5°
H141	N14	H142	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	O03	N04	180.0°	180.0°
C01	C02	N04	C05	179.8°	175.4°
C02	C01	H012	H011	120.0°	120.0°
C02	C01	H012	H013	120.0°	120.0°
C02	C01	H011	H013	120.0°	120.0°
C01	C02	N04	H041	0.2°	4.6°
O03	C02	N04	C05	0.2°	4.7°
O03	C02	C01	H012	0.0°	90.0°
O03	C02	C01	H011	120.0°	30.0°
O03	C02	C01	H013	120.0°	150.0°
O03	C02	N04	H041	179.9°	175.4°
C02	N04	C05	H041	180.0°	179.9°
C02	N04	C05	C06	34.0°	35.4°
C02	N04	C05	C19	147.5°	144.9°
N04	C02	C01	H012	180.0°	90.0°
N04	C02	C01	H011	60.0°	150.1°
N04	C02	C01	H013	60.0°	30.0°
N04	C05	C06	C19	178.5°	179.7°
N04	C05	C06	C07	179.6°	180.0°
N04	C05	C19	C18	179.3°	179.7°
N04	C05	C06	H061	0.5°	0.0°
N04	C05	C19	H191	0.7°	0.1°
C05	C06	C07	H061	180.0°	180.0°
C05	C06	C07	C08	1.1°	0.0°
C06	C05	C19	C18	0.8°	0.6°
C05	C06	C07	H071	178.9°	180.0°
C06	C05	C19	H191	179.2°	179.8°
C06	C05	N04	H041	146.0°	144.6°
C06	C07	C08	H071	180.0°	180.0°
C06	C07	C08	C09	179.4°	180.0°
C06	C07	C08	C18	0.8°	0.0°
C07	C06	C05	C19	1.1°	0.3°
C07	C08	C09	C10	128.7°	86.1°
C07	C08	C09	C18	179.8°	180.0°
C07	C08	C18	C19	0.5°	0.3°
C08	C07	C06	H061	178.9°	180.0°
C07	C08	C18	H181	179.5°	180.0°
C09	C10	C11	C12	15.9°	89.3°
C10	C09	C08	C18	51.1°	94.0°
C09	C10	C11	C17	163.8°	91.0°
C10	C11	C12	C17	179.8°	179.7°
C10	C11	C12	C13	179.7°	180.0°
C10	C11	C17	C16	179.4°	179.8°
C11	C10	C09	C08	62.9°	175.1°
C10	C11	C12	H121	0.3°	0.1°
C10	C11	C17	H171	0.6°	0.0°
C11	C12	C13	H121	180.0°	179.9°
C11	C12	C13	N14	179.7°	180.0°
C11	C12	C13	C15	0.1°	0.0°
C12	C11	C17	C16	0.8°	0.5°
C12	C11	C17	H171	179.2°	179.7°
C12	C13	N14	C15	179.6°	180.0°
C12	C13	C15	C16	0.1°	0.0°
C13	C12	C11	C17	0.6°	0.3°
C12	C13	C15	H151	179.9°	180.0°
C12	C13	N14	H141	180.0°	0.0°
C12	C13	N14	H142	60.0°	180.0°
N14	C13	C15	C16	179.5°	180.0°
N14	C13	C12	H121	0.3°	0.0°
N14	C13	C15	H151	0.5°	0.1°
C13	N14	H141	H142	120.0°	180.0°
C13	C15	C16	H151	180.0°	179.9°
C13	C15	C16	C17	0.2°	0.2°
C15	C13	C12	H121	179.9°	179.9°
C13	C15	C16	H161	179.8°	179.9°
C15	C13	N14	H141	0.4°	179.9°
C15	C13	N14	H142	120.4°	0.0°
C15	C16	C17	H161	180.0°	179.9°
C15	C16	C17	C11	0.6°	0.5°
C15	C16	C17	H171	179.4°	179.8°
C16	C17	C11	H171	180.0°	179.7°
C17	C16	C15	H151	179.8°	179.7°
C09	C08	C18	C19	179.7°	179.8°
C09	C08	C07	H071	0.6°	0.0°
C09	C08	C18	H181	0.3°	0.0°
C08	C18	C19	H181	180.0°	179.8°
C08	C18	C19	C05	0.5°	0.6°
C18	C08	C07	H071	179.2°	180.0°
C08	C18	C19	H191	179.5°	179.8°
C18	C19	C05	H191	180.0°	179.7°
C19	C05	C06	H061	178.9°	179.7°
C05	C19	C18	H181	179.5°	179.7°
C19	C05	N04	H041	32.5°	35.0°
C17	C11	C12	H121	179.4°	179.8°
C11	C17	C16	H161	179.4°	179.7°
H012	C01	H011	H013	120.0°	120.0°
H061	C06	C07	H071	1.1°	0.1°
H151	C15	C16	H161	0.2°	0.2°
H161	C16	C17	H171	0.6°	0.1°
H181	C18	C19	H191	0.5°	0.0°

Release date:	2025-06-25
Definition date:	2024-06-24
Last modified:	2025-06-20
Release status:	REL
Processing site:	RCSB
Derived from:	9CCC