A1CI3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	doub	1.33Å	1.32Å	Aromatic
C02	C03	sing	1.40Å	1.39Å	Aromatic
C03	C04	doub	1.40Å	1.38Å	Aromatic
C04	C05	sing	1.39Å	1.38Å	Aromatic
C05	C06	doub	1.40Å	1.39Å	Aromatic
C06	N01	sing	1.32Å	1.32Å	Aromatic
C02	C07	sing	1.48Å	1.53Å
C07	O08	sing	1.35Å	1.27Å
C07	O09	doub	1.21Å	1.26Å
C03	O10	sing	1.36Å	1.39Å
C04	O11	sing	1.36Å	1.40Å
C06	C12	sing	1.48Å	1.54Å
C12	C13	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C17	C12	sing	1.39Å	1.39Å	Aromatic
C17	C18	sing	1.51Å	1.53Å
C18	C19	sing	1.53Å	1.53Å
C15	H151	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å
C13	H131	sing	1.08Å	1.08Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
O08	H1	sing	0.97Å	0.95Å
O10	H101	sing	0.97Å	0.95Å
O11	H111	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	C03	119.4°	120.7°
C02	N01	C06	123.6°	121.7°
N01	C02	C07	117.9°	119.7°
C02	C03	C04	119.9°	119.0°
C03	C02	C07	122.7°	119.7°
C02	C03	O10	124.4°	120.5°
C03	C04	C05	117.5°	118.4°
C04	C03	O10	115.7°	120.5°
C03	C04	O11	118.8°	120.8°
C04	C05	C06	121.1°	119.3°
C05	C04	O11	123.6°	120.8°
C04	C05	H051	119.4°	120.3°
C05	C06	N01	118.4°	120.9°
C05	C06	C12	121.1°	119.6°
C06	C05	H051	119.5°	120.3°
N01	C06	C12	120.5°	119.5°
C02	C07	O08	121.3°	120.0°
C02	C07	O09	119.1°	120.0°
O08	C07	O09	119.7°	120.0°
C07	O08	H1	109.5°	117.0°
C03	O10	H101	109.5°	114.0°
C04	O11	H111	109.5°	114.0°
C06	C12	C13	120.8°	120.1°
C06	C12	C17	120.0°	120.1°
C12	C13	C14	120.2°	119.9°
C13	C12	C17	119.3°	119.8°
C12	C13	H131	119.9°	120.1°
C13	C14	C15	120.3°	120.1°
C13	C14	H141	119.9°	119.9°
C14	C13	H131	119.9°	120.1°
C14	C15	C16	119.9°	120.3°
C14	C15	H151	120.0°	119.9°
C15	C14	H141	119.9°	120.0°
C15	C16	C17	119.9°	120.1°
C16	C15	H151	120.1°	119.8°
C15	C16	H161	120.1°	120.0°
C16	C17	C12	120.5°	119.9°
C16	C17	C18	118.3°	120.1°
C17	C16	H161	120.1°	119.9°
C12	C17	C18	121.3°	120.1°
C17	C18	C19	111.2°	109.5°
C17	C18	H181	109.1°	109.5°
C17	C18	H182	109.0°	109.5°
C18	C19	H191	109.5°	109.4°
C18	C19	H192	109.5°	109.4°
C18	C19	H193	109.5°	109.5°
C19	C18	H181	109.0°	109.4°
C19	C18	H182	109.0°	109.5°
H191	C19	H192	109.5°	109.5°
H191	C19	H193	109.5°	109.5°
H192	C19	H193	109.4°	109.6°
H181	C18	H182	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	C03	C07	179.7°	179.8°
N01	C02	C03	C04	0.6°	0.2°
C02	N01	C06	C05	0.7°	0.5°
N01	C02	C07	O08	177.2°	0.2°
N01	C02	C07	O09	1.7°	179.7°
N01	C02	C03	O10	179.2°	179.8°
C02	N01	C06	C12	179.5°	179.8°
C02	C03	C04	O10	179.9°	180.0°
C02	C03	C04	C05	0.3°	0.0°
C03	C02	N01	C06	0.9°	0.0°
C03	C02	C07	O08	3.1°	180.0°
C03	C02	C07	O09	178.0°	0.1°
C02	C03	C04	O11	179.9°	179.5°
C02	C03	O10	H101	180.0°	89.9°
C03	C04	C05	O11	179.5°	179.5°
C03	C04	C05	C06	0.2°	0.5°
C04	C03	C02	C07	179.7°	180.0°
C03	C04	C05	H051	179.8°	179.5°
C04	C03	O10	H101	0.2°	90.0°
C03	C04	O11	H111	180.0°	89.5°
C04	C05	C06	H051	180.0°	179.9°
C04	C05	C06	N01	0.4°	0.7°
C05	C04	C03	O10	179.5°	180.0°
C04	C05	C06	C12	179.1°	180.0°
C05	C04	O11	H111	0.5°	90.0°
C05	C06	N01	C12	178.7°	179.3°
C06	C05	C04	O11	179.7°	180.0°
C05	C06	C12	C13	118.8°	49.8°
C05	C06	C12	C17	61.5°	130.2°
C06	N01	C02	C07	179.4°	179.8°
N01	C06	C12	C13	62.5°	130.9°
N01	C06	C12	C17	117.2°	49.2°
N01	C06	C05	H051	179.6°	179.2°
C02	C07	O08	O09	178.9°	179.9°
C07	C02	C03	O10	0.5°	0.0°
C02	C07	O08	H1	178.9°	180.0°
O09	C07	O08	H1	0.0°	0.1°
O10	C03	C04	O11	0.0°	0.5°
O11	C04	C05	H051	0.3°	0.0°
C06	C12	C13	C17	179.7°	179.9°
C06	C12	C13	C14	179.8°	179.7°
C06	C12	C17	C16	179.9°	179.5°
C06	C12	C17	C18	0.2°	0.1°
C12	C06	C05	H051	0.9°	0.1°
C06	C12	C13	H131	0.1°	0.0°
C12	C13	C14	H131	180.0°	179.8°
C12	C13	C14	C15	0.0°	0.1°
C13	C12	C17	C16	0.1°	0.5°
C13	C12	C17	C18	180.0°	180.0°
C12	C13	C14	H141	180.0°	180.0°
C13	C14	C15	H141	180.0°	179.9°
C13	C14	C15	C16	0.1°	0.1°
C14	C13	C12	C17	0.1°	0.2°
C13	C14	C15	H151	179.8°	179.7°
C14	C15	C16	H151	180.0°	179.8°
C14	C15	C16	C17	0.1°	0.2°
C14	C15	C16	H161	179.9°	179.7°
C15	C14	C13	H131	180.0°	179.7°
C15	C16	C17	H161	180.0°	179.9°
C15	C16	C17	C12	0.1°	0.5°
C15	C16	C17	C18	180.0°	180.0°
C16	C15	C14	H141	179.9°	180.0°
C16	C17	C12	C18	179.9°	179.5°
C16	C17	C18	C19	114.1°	99.7°
C17	C16	C15	H151	179.9°	180.0°
C16	C17	C18	H181	6.1°	20.3°
C16	C17	C18	H182	125.7°	140.2°
C12	C17	C18	C19	66.0°	79.8°
C12	C17	C16	H161	180.0°	179.4°
C17	C12	C13	H131	179.9°	179.9°
C12	C17	C18	H181	173.7°	160.2°
C12	C17	C18	H182	54.2°	40.2°
C17	C18	C19	H181	120.3°	120.0°
C17	C18	C19	H182	120.3°	120.0°
C18	C17	C16	H161	0.1°	0.1°
C17	C18	C19	H191	180.0°	60.0°
C17	C18	C19	H192	60.0°	59.9°
C17	C18	C19	H193	60.0°	180.0°
C17	C18	H181	H182	119.2°	120.0°
C18	C19	H191	H192	120.0°	119.9°
C18	C19	H191	H193	120.0°	120.0°
C18	C19	H192	H193	120.0°	120.0°
C19	C18	H181	H182	119.2°	120.0°
H151	C15	C14	H141	0.2°	0.2°
H151	C15	C16	H161	0.1°	0.1°
H141	C14	C13	H131	0.0°	0.3°
H191	C19	H192	H193	120.0°	120.1°
H191	C19	C18	H181	59.8°	NaN°
H191	C19	C18	H182	59.7°	60.0°
H192	C19	C18	H181	179.8°	60.1°
H192	C19	C18	H182	60.3°	180.0°
H193	C19	C18	H181	60.3°	60.0°
H193	C19	C18	H182	179.8°	60.0°

Release date:	2026-01-21
Definition date:	2025-07-22
Last modified:	2026-01-16
Release status:	REL
Processing site:	RCSB
Derived from:	9PMR