A1AIA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N06	C07	sing	1.45Å	1.50Å
N06	C04	sing	1.34Å	1.45Å
C07	N08	sing	1.45Å	1.50Å
O05	C04	doub	1.21Å	1.19Å
C04	C03	sing	1.50Å	1.50Å
N08	C09	sing	1.34Å	1.45Å
C09	C03	sing	1.50Å	1.51Å
C09	O10	doub	1.21Å	1.18Å
C03	C11	sing	1.51Å	1.58Å
C03	C02	sing	1.53Å	1.53Å
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C01	C02	sing	1.53Å	1.53Å
C11	C16	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C02	H022	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C07	H071	sing	1.09Å	1.10Å
C07	H072	sing	1.09Å	1.10Å
C12	H121	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
N06	H061	sing	0.97Å	1.00Å
N08	H081	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	N06	C04	120.4°	123.3°
N06	C07	N08	110.4°	112.1°
N06	C07	H071	109.2°	109.2°
N06	C07	H072	109.2°	108.8°
C07	N06	H061	119.8°	118.3°
N06	C04	O05	119.4°	118.9°
N06	C04	C03	120.7°	122.2°
C04	N06	H061	119.8°	118.4°
C07	N08	C09	120.6°	123.4°
N08	C07	H071	109.2°	108.9°
N08	C07	H072	109.2°	108.9°
C07	N08	H081	119.7°	118.4°
O05	C04	C03	119.9°	118.9°
C04	C03	C09	110.1°	110.3°
C04	C03	C11	110.2°	109.3°
C04	C03	C02	109.6°	109.3°
N08	C09	C03	120.5°	122.2°
N08	C09	O10	119.4°	118.9°
C09	N08	H081	119.7°	118.2°
C03	C09	O10	120.0°	118.9°
C09	C03	C11	108.7°	109.3°
C09	C03	C02	108.9°	109.3°
C11	C03	C02	109.2°	109.3°
C03	C11	C12	120.1°	119.9°
C03	C11	C16	119.9°	120.0°
C03	C02	C01	110.7°	109.5°
C03	C02	H022	109.2°	109.5°
C03	C02	H021	109.2°	109.5°
C11	C12	C13	120.0°	120.0°
C12	C11	C16	119.9°	120.0°
C11	C12	H121	120.0°	120.0°
C12	C13	C14	119.9°	120.0°
C13	C12	H121	120.0°	120.0°
C12	C13	H131	120.1°	120.0°
C02	C01	H011	109.5°	109.5°
C02	C01	H013	109.5°	109.4°
C02	C01	H012	109.4°	109.5°
C01	C02	H022	109.2°	109.5°
C01	C02	H021	109.2°	109.4°
C11	C16	C15	120.2°	120.0°
C11	C16	H161	119.9°	120.0°
C13	C14	C15	120.2°	120.0°
C14	C13	H131	120.0°	119.9°
C13	C14	H141	119.9°	120.1°
C16	C15	C14	119.9°	120.0°
C16	C15	H151	120.1°	120.0°
C15	C16	H161	119.9°	119.9°
C15	C14	H141	119.9°	120.0°
C14	C15	H151	120.1°	120.0°
H011	C01	H013	109.4°	109.4°
H011	C01	H012	109.5°	109.5°
H013	C01	H012	109.5°	109.5°
H022	C02	H021	109.5°	109.4°
H071	C07	H072	109.5°	108.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	N06	C04	H061	180.0°	179.9°
N06	C07	N08	H071	120.1°	121.0°
N06	C07	N08	H072	120.1°	120.4°
C07	N06	C04	O05	179.9°	179.2°
C07	N06	C04	C03	0.6°	0.7°
N06	C07	N08	C09	32.5°	20.8°
N06	C07	H071	H072	119.6°	118.6°
N06	C07	N08	H081	147.5°	159.5°
C04	N06	C07	N08	32.7°	20.7°
N06	C04	O05	C03	179.3°	179.9°
N06	C04	C03	C09	31.4°	18.8°
N06	C04	C03	C11	88.5°	139.0°
N06	C04	C03	C02	151.3°	101.4°
C04	N06	C07	H071	152.8°	100.1°
C04	N06	C07	H072	87.4°	141.2°
C07	N08	C09	H081	180.0°	179.7°
C07	N08	C09	C03	0.3°	0.9°
C07	N08	C09	O10	179.8°	179.1°
N08	C07	H071	H072	119.6°	118.6°
N08	C07	N06	H061	147.3°	159.4°
O05	C04	C03	C09	147.9°	161.3°
O05	C04	C03	C11	92.2°	41.1°
O05	C04	C03	C02	28.1°	78.5°
O05	C04	N06	H061	0.1°	0.7°
C04	C03	C09	N08	31.6°	18.8°
C04	C03	C09	C11	120.8°	120.2°
C04	C03	C09	C02	120.2°	120.2°
C04	C03	C09	O10	148.3°	161.2°
C04	C03	C11	C02	120.5°	119.6°
C04	C03	C11	C12	88.3°	119.9°
C04	C03	C02	C01	66.8°	60.4°
C04	C03	C11	C16	92.0°	60.4°
C04	C03	C02	H022	173.0°	59.6°
C04	C03	C02	H021	53.4°	179.6°
C03	C04	N06	H061	179.4°	179.4°
N08	C09	C03	O10	179.9°	180.0°
N08	C09	C03	C11	89.2°	138.9°
N08	C09	C03	C02	151.9°	101.5°
C09	N08	C07	H071	152.6°	100.2°
C09	N08	C07	H072	87.6°	141.2°
C09	C03	C11	C02	118.8°	119.6°
C09	C03	C11	C12	32.5°	119.3°
C09	C03	C02	C01	53.7°	60.4°
C09	C03	C11	C16	147.2°	60.4°
C09	C03	C02	H022	66.4°	179.6°
C09	C03	C02	H021	173.9°	59.6°
C03	C09	N08	H081	179.6°	179.4°
O10	C09	C03	C11	90.9°	41.1°
O10	C09	C03	C02	28.0°	78.5°
O10	C09	N08	H081	0.3°	0.6°
C03	C11	C12	C16	179.7°	179.7°
C03	C11	C12	C13	179.8°	180.0°
C11	C03	C02	C01	172.4°	180.0°
C03	C11	C16	C15	179.8°	179.8°
C11	C03	C02	H022	52.2°	60.0°
C11	C03	C02	H021	67.4°	60.0°
C03	C11	C12	H121	0.2°	0.0°
C03	C11	C16	H161	0.2°	0.1°
C02	C03	C11	C12	151.3°	0.3°
C03	C02	C01	H022	120.2°	120.0°
C03	C02	C01	H021	120.2°	120.1°
C02	C03	C11	C16	28.4°	180.0°
C03	C02	C01	H011	180.0°	180.0°
C03	C02	C01	H013	60.0°	60.0°
C03	C02	C01	H012	60.0°	60.0°
C03	C02	H022	H021	119.5°	120.1°
C11	C12	C13	H121	180.0°	180.0°
C11	C12	C13	C14	0.1°	0.0°
C12	C11	C16	C15	0.2°	0.5°
C11	C12	C13	H131	179.9°	179.9°
C12	C11	C16	H161	179.8°	179.7°
C13	C12	C11	C16	0.2°	0.3°
C12	C13	C14	H131	180.0°	179.9°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	H141	179.9°	179.9°
C02	C01	H011	H013	120.0°	119.9°
C02	C01	H011	H012	120.0°	120.0°
C02	C01	H013	H012	120.0°	120.0°
C01	C02	H022	H021	119.4°	119.9°
C11	C16	C15	H161	180.0°	179.7°
C11	C16	C15	C14	0.1°	0.5°
C16	C11	C12	H121	179.8°	179.7°
C11	C16	C15	H151	179.9°	179.7°
C13	C14	C15	C16	0.1°	0.2°
C13	C14	C15	H141	180.0°	180.0°
C14	C13	C12	H121	179.9°	180.0°
C13	C14	C15	H151	179.9°	180.0°
C16	C15	C14	H151	180.0°	179.8°
C16	C15	C14	H141	179.9°	179.9°
C15	C14	C13	H131	179.9°	180.0°
C14	C15	C16	H161	179.9°	179.8°
H011	C01	H013	H012	120.0°	120.0°
H011	C01	C02	H022	59.8°	60.0°
H011	C01	C02	H021	59.8°	60.0°
H013	C01	C02	H022	179.8°	60.0°
H013	C01	C02	H021	60.1°	179.9°
H012	C01	C02	H022	60.2°	180.0°
H012	C01	C02	H021	179.8°	60.0°
H071	C07	N06	H061	27.2°	79.8°
H071	C07	N08	H081	27.3°	79.6°
H072	C07	N06	H061	92.6°	39.0°
H072	C07	N08	H081	92.4°	39.0°
H121	C12	C13	H131	0.1°	0.1°
H131	C13	C14	H141	0.1°	0.0°
H141	C14	C15	H151	0.1°	0.0°
H151	C15	C16	H161	0.1°	0.0°

Release date:	2025-01-22
Definition date:	2024-03-15
Last modified:	2025-01-17
Release status:	REL
Processing site:	RCSB
Derived from:	9B28