A1CI9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	doub	1.22Å	1.19Å
C04	N03	sing	1.40Å	1.47Å
C05	C04	doub	1.39Å	1.38Å	Aromatic
C06	C05	sing	1.38Å	1.37Å	Aromatic
C07	C06	doub	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.53Å	1.53Å
C10	C08	sing	1.53Å	1.53Å
C08	C07	sing	1.51Å	1.54Å
C11	C07	sing	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
N03	C02	sing	1.35Å	1.47Å
C13	C02	sing	1.48Å	1.53Å
N14	C13	doub	1.33Å	1.32Å	Aromatic
C15	N14	sing	1.32Å	1.32Å	Aromatic
C16	C15	doub	1.39Å	1.39Å	Aromatic
N17	C16	sing	1.32Å	1.32Å	Aromatic
C18	N17	doub	1.32Å	1.32Å	Aromatic
C04	C12	sing	1.39Å	1.40Å	Aromatic
C13	C18	sing	1.39Å	1.39Å	Aromatic
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	sing	1.09Å	1.10Å
C18	H181	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C08	H081	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
C09	H092	sing	1.09Å	1.10Å
C09	H093	sing	1.09Å	1.10Å
C11	H111	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
N03	H031	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	N03	122.1°	120.0°
O01	C02	C13	117.6°	120.0°
N03	C04	C05	115.3°	120.1°
C04	N03	C02	126.6°	120.0°
N03	C04	C12	124.6°	120.1°
C04	N03	H031	116.7°	119.9°
C04	C05	C06	119.1°	120.0°
C05	C04	C12	120.1°	119.8°
C04	C05	H051	120.5°	120.0°
C05	C06	C07	121.2°	120.1°
C06	C05	H051	120.4°	120.0°
C05	C06	H061	119.4°	120.0°
C06	C07	C08	117.3°	119.9°
C06	C07	C11	120.9°	120.2°
C07	C06	H061	119.4°	120.0°
C09	C08	C10	106.5°	109.5°
C09	C08	C07	110.8°	109.5°
C09	C08	H081	110.0°	109.5°
C08	C09	H091	109.5°	109.4°
C08	C09	H092	109.4°	109.5°
C08	C09	H093	109.5°	109.5°
C10	C08	C07	109.6°	109.5°
C08	C10	H101	109.5°	109.5°
C08	C10	H102	109.5°	109.4°
C08	C10	H103	109.5°	109.5°
C10	C08	H081	110.0°	109.5°
C08	C07	C11	121.8°	119.9°
C07	C08	H081	109.9°	109.5°
C07	C11	C12	117.3°	120.1°
C07	C11	H111	121.3°	120.0°
C11	C12	C04	121.5°	119.9°
C12	C11	H111	121.3°	120.0°
C11	C12	H121	119.3°	120.1°
N03	C02	C13	120.2°	120.0°
C02	N03	H031	116.7°	120.0°
C02	C13	N14	120.8°	120.0°
C02	C13	C18	119.4°	120.1°
C13	N14	C15	119.9°	119.8°
N14	C13	C18	119.8°	119.8°
N14	C15	C16	119.5°	120.2°
N14	C15	H151	120.2°	119.9°
C15	C16	N17	121.2°	120.2°
C16	C15	H151	120.2°	119.9°
C15	C16	H161	119.4°	120.0°
C16	N17	C18	118.5°	120.1°
N17	C16	H161	119.4°	119.9°
N17	C18	C13	121.1°	119.8°
N17	C18	H181	119.5°	120.1°
C04	C12	H121	119.2°	120.0°
C13	C18	H181	119.5°	120.1°
H101	C10	H102	109.4°	109.5°
H101	C10	H103	109.5°	109.5°
H102	C10	H103	109.5°	109.5°
H091	C09	H092	109.5°	109.4°
H091	C09	H093	109.5°	109.5°
H092	C09	H093	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	N03	C04	4.1°	4.7°
O01	C02	N03	C13	176.7°	179.9°
O01	C02	C13	N14	159.0°	179.9°
O01	C02	C13	C18	21.9°	0.1°
O01	C02	N03	H031	175.9°	175.3°
N03	C04	C05	C12	179.3°	179.7°
N03	C04	C05	C06	179.2°	180.0°
N03	C04	C12	C11	179.3°	179.7°
C04	N03	C02	H031	180.0°	180.0°
C04	N03	C02	C13	179.1°	175.4°
N03	C04	C05	H051	0.8°	0.0°
N03	C04	C12	H121	0.8°	0.0°
C04	C05	C06	H051	180.0°	180.0°
C04	C05	C06	C07	0.2°	0.1°
C05	C04	C12	C11	0.0°	0.5°
C05	C04	N03	C02	149.6°	144.6°
C04	C05	C06	H061	179.8°	180.0°
C05	C04	C12	H121	180.0°	179.7°
C05	C04	N03	H031	30.4°	35.4°
C05	C06	C07	H061	180.0°	179.9°
C05	C06	C07	C08	179.3°	180.0°
C05	C06	C07	C11	0.1°	0.0°
C06	C05	C04	C12	0.1°	0.2°
C06	C07	C08	C09	96.8°	120.0°
C06	C07	C08	C10	20.4°	120.0°
C06	C07	C08	C11	179.2°	180.0°
C06	C07	C11	C12	0.0°	0.3°
C07	C06	C05	H051	179.8°	180.0°
C06	C07	C08	H081	141.4°	0.0°
C06	C07	C11	H111	180.0°	180.0°
C09	C08	C10	C07	119.9°	120.0°
C09	C08	C10	H081	119.2°	120.0°
C09	C08	C07	H081	121.8°	120.1°
C09	C08	C07	C11	82.4°	60.0°
C09	C08	C10	H101	180.0°	180.0°
C09	C08	C10	H102	60.0°	60.1°
C09	C08	C10	H103	60.0°	59.9°
C08	C09	H091	H092	120.0°	120.0°
C08	C09	H091	H093	120.0°	120.0°
C08	C09	H092	H093	120.0°	120.1°
C10	C08	C07	H081	121.0°	120.0°
C10	C08	C07	C11	160.4°	60.0°
C08	C10	H101	H102	120.0°	119.9°
C08	C10	H101	H103	120.0°	120.1°
C08	C10	H102	H103	120.0°	120.0°
C10	C08	C09	H091	180.0°	60.1°
C10	C08	C09	H092	60.0°	180.0°
C10	C08	C09	H093	60.0°	59.9°
C08	C07	C11	C12	179.2°	179.7°
C07	C08	C10	H101	60.1°	60.0°
C07	C08	C10	H102	59.9°	180.0°
C07	C08	C10	H103	179.9°	60.0°
C08	C07	C06	H061	0.7°	0.1°
C07	C08	C09	H091	61.0°	180.0°
C07	C08	C09	H092	179.0°	60.0°
C07	C08	C09	H093	59.0°	60.0°
C08	C07	C11	H111	0.9°	0.0°
C07	C11	C12	H111	180.0°	179.7°
C07	C11	C12	C04	0.1°	0.6°
C11	C07	C06	H061	179.9°	179.9°
C11	C07	C08	H081	39.4°	180.0°
C07	C11	C12	H121	179.9°	179.7°
C11	C12	C04	H121	180.0°	179.7°
N03	C02	C13	N14	24.1°	0.0°
C02	N03	C04	C12	29.7°	35.1°
N03	C02	C13	C18	154.9°	180.0°
C02	C13	N14	C18	179.0°	180.0°
C02	C13	N14	C15	179.7°	180.0°
C02	C13	C18	N17	178.9°	180.0°
C02	C13	C18	H181	1.1°	0.3°
C13	C02	N03	H031	0.9°	4.6°
C13	N14	C15	C16	0.7°	0.3°
N14	C13	C18	N17	0.1°	0.1°
N14	C13	C18	H181	179.9°	179.7°
C13	N14	C15	H151	179.3°	180.0°
N14	C15	C16	H151	180.0°	179.7°
N14	C15	C16	N17	0.1°	0.5°
C15	N14	C13	C18	0.7°	0.0°
N14	C15	C16	H161	179.9°	180.0°
C15	C16	N17	H161	180.0°	179.5°
C15	C16	N17	C18	0.8°	0.6°
C16	N17	C18	C13	0.8°	0.3°
C16	N17	C18	H181	179.2°	180.0°
N17	C16	C15	H151	179.9°	179.8°
N17	C18	C13	H181	180.0°	179.6°
C18	N17	C16	H161	179.2°	179.9°
C12	C04	C05	H051	179.9°	179.8°
C04	C12	C11	H111	179.9°	179.8°
C12	C04	N03	H031	150.3°	144.9°
H101	C10	H102	H103	120.0°	120.0°
H101	C10	C08	H081	60.8°	60.0°
H102	C10	C08	H081	179.2°	60.0°
H103	C10	C08	H081	59.2°	180.0°
H051	C05	C06	H061	0.2°	0.1°
H081	C08	C09	H091	60.8°	59.9°
H081	C08	C09	H092	59.2°	60.0°
H081	C08	C09	H093	179.2°	179.9°
H091	C09	H092	H093	120.0°	120.0°
H111	C11	C12	H121	0.1°	0.0°
H151	C15	C16	H161	0.1°	0.3°

Release date:	2025-11-26
Definition date:	2025-07-23
Last modified:	2025-11-21
Release status:	REL
Processing site:	RCSB
Derived from:	9PQE