A1C0D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	sing	1.53Å	1.55Å
C03	C02	sing	1.53Å	1.54Å
C04	C02	sing	1.51Å	1.52Å
N05	C04	sing	1.34Å	1.40Å	Aromatic
C06	N05	doub	1.32Å	1.35Å	Aromatic
C08	C07	doub	1.37Å	1.39Å	Aromatic
N09	C08	sing	1.35Å	1.39Å	Aromatic
C11	C10	sing	1.53Å	1.48Å
C12	C11	sing	1.53Å	1.52Å
C13	C12	sing	1.53Å	1.57Å
N14	C13	sing	1.47Å	1.52Å
C15	N14	sing	1.47Å	1.48Å
C10	N09	sing	1.47Å	1.49Å
N26	N09	sing	1.29Å	1.38Å	Aromatic
N27	N26	doub	1.29Å	1.33Å	Aromatic
C07	C06	sing	1.48Å	1.41Å
O28	C06	sing	1.34Å	1.43Å	Aromatic
N29	O28	sing	1.21Å	1.40Å	Aromatic
C04	N29	doub	1.30Å	1.36Å	Aromatic
C07	N27	sing	1.35Å	1.42Å	Aromatic
C10	C15	sing	1.53Å	1.55Å
C01	H011	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C03	H033	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C08	H081	sing	1.08Å	1.08Å
C10	H101	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
N14	C16	sing	1.35Å	1.02Å
C16	C17	sing	1.48Å	24.81Å
C16	O16	doub	1.22Å	24.81Å
C17	C18	sing	1.40Å	0.00Å	Aromatic
C18	N19	doub	1.32Å	0.00Å	Aromatic
N19	C20	sing	1.32Å	0.00Å	Aromatic
C20	C21	doub	1.39Å	0.00Å	Aromatic
C21	C22	sing	1.38Å	0.00Å	Aromatic
C22	C17	doub	1.40Å	0.00Å	Aromatic
C20	O23	sing	1.35Å	0.00Å
O23	C24	sing	1.43Å	0.00Å
C18	H181	sing	1.08Å	0.00Å
C21	H211	sing	1.08Å	0.00Å
C22	H221	sing	1.08Å	0.00Å
C24	H241	sing	1.09Å	0.00Å
C24	H242	sing	1.09Å	0.00Å
C24	H243	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	111.9°	109.5°
C01	C02	C04	112.6°	109.4°
C02	C01	H011	109.5°	109.5°
C02	C01	H012	109.5°	109.4°
C02	C01	H013	109.5°	109.5°
C01	C02	H021	106.5°	109.5°
C03	C02	C04	112.0°	109.5°
C03	C02	H021	106.6°	109.5°
C02	C03	H033	109.5°	109.5°
C02	C03	H031	109.5°	109.4°
C02	C03	H032	109.5°	109.4°
C02	C04	N05	123.3°	126.2°
C02	C04	N29	127.5°	126.2°
C04	C02	H021	106.8°	109.5°
C04	N05	C06	109.5°	105.5°
N05	C04	N29	109.3°	107.6°
N05	C06	C07	132.2°	126.7°
N05	C06	O28	106.1°	106.7°
C07	C08	N09	107.3°	106.1°
C08	C07	C06	132.2°	127.0°
C08	C07	N27	106.8°	106.1°
C07	C08	H081	126.4°	127.0°
C08	N09	C10	131.2°	125.7°
C08	N09	N26	107.9°	108.6°
N09	C08	H081	126.3°	127.0°
C10	C11	C12	108.0°	109.6°
C11	C10	N09	113.9°	109.5°
C11	C10	C15	111.9°	109.3°
C11	C10	H101	107.5°	109.5°
C10	C11	H112	109.9°	109.4°
C10	C11	H111	109.9°	109.5°
C11	C12	C13	114.2°	109.3°
C12	C11	H112	109.9°	109.4°
C12	C11	H111	109.8°	109.4°
C11	C12	H122	108.3°	109.5°
C11	C12	H121	108.3°	109.6°
C12	C13	N14	119.1°	108.8°
C13	C12	H122	108.3°	109.4°
C13	C12	H121	108.3°	109.5°
C12	C13	H132	107.0°	109.6°
C12	C13	H131	107.0°	109.6°
C13	N14	C15	111.8°	118.7°
N14	C13	H132	107.1°	109.6°
N14	C13	H131	107.0°	109.7°
C13	N14	C16	109.8°	120.6°
N14	C15	C10	117.0°	108.7°
N14	C15	H151	107.6°	109.6°
N14	C15	H152	107.6°	109.6°
C15	N14	C16	109.9°	120.6°
C10	N09	N26	120.8°	125.7°
N09	C10	C15	109.2°	109.5°
N09	C10	H101	107.4°	109.5°
N09	N26	N27	109.4°	110.6°
N26	N27	C07	108.6°	108.6°
C07	C06	O28	121.7°	126.6°
C06	C07	N27	120.8°	126.9°
C06	O28	N29	108.8°	109.6°
O28	N29	C04	106.3°	110.5°
C15	C10	H101	106.6°	109.6°
C10	C15	H151	107.5°	109.6°
C10	C15	H152	107.5°	109.6°
H011	C01	H012	109.5°	109.5°
H011	C01	H013	109.4°	109.5°
H012	C01	H013	109.5°	109.5°
H033	C03	H031	109.5°	109.5°
H033	C03	H032	109.4°	109.5°
H031	C03	H032	109.5°	109.5°
H112	C11	H111	109.4°	109.5°
H122	C12	H121	109.5°	109.5°
H132	C13	H131	109.5°	109.6°
H151	C15	H152	109.4°	109.7°
N14	C16	C17	37.2°	120.0°
N14	C16	O16	37.2°	120.0°
C17	C16	O16	0.0°	120.0°
C16	C17	C18	90.0°	120.5°
C16	C17	C22	90.0°	120.5°
C17	C18	N19	90.0°	120.6°
C18	C17	C22	90.0°	119.0°
C17	C18	H181	90.0°	119.7°
C18	N19	C20	90.0°	121.9°
N19	C18	H181	90.0°	119.7°
N19	C20	C21	90.0°	120.9°
N19	C20	O23	90.0°	119.6°
C20	C21	C22	90.0°	119.3°
C21	C20	O23	90.0°	119.5°
C20	C21	H211	90.0°	120.4°
C21	C22	C17	90.0°	118.4°
C22	C21	H211	90.0°	120.3°
C21	C22	H221	90.0°	120.8°
C17	C22	H221	90.0°	120.8°
C20	O23	C24	90.0°	117.0°
O23	C24	H241	90.0°	109.5°
O23	C24	H242	90.0°	109.4°
O23	C24	H243	90.0°	109.5°
H241	C24	H242	90.0°	109.5°
H241	C24	H243	90.0°	109.5°
H242	C24	H243	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C04	127.5°	119.9°
C01	C02	C03	H021	116.1°	120.0°
C01	C02	C04	H021	116.6°	120.0°
C01	C02	C04	N05	177.0°	120.3°
C01	C02	C04	N29	3.0°	60.1°
C02	C01	H011	H012	120.0°	119.9°
C02	C01	H011	H013	120.0°	120.0°
C02	C01	H012	H013	120.0°	120.0°
C01	C02	C03	H033	180.0°	60.0°
C01	C02	C03	H031	60.0°	179.9°
C01	C02	C03	H032	60.0°	60.0°
C03	C02	C04	H021	116.3°	120.1°
C03	C02	C04	N05	55.9°	119.7°
C03	C02	C04	N29	124.1°	59.9°
C03	C02	C01	H011	180.0°	59.9°
C03	C02	C01	H012	60.0°	60.0°
C03	C02	C01	H013	60.0°	180.0°
C02	C03	H033	H031	120.0°	119.9°
C02	C03	H033	H032	120.0°	120.0°
C02	C03	H031	H032	120.0°	120.0°
C02	C04	N05	N29	180.0°	179.7°
C02	C04	N05	C06	179.1°	180.0°
C02	C04	N29	O28	179.7°	179.9°
C04	C02	C01	H011	52.8°	60.0°
C04	C02	C01	H012	172.8°	180.0°
C04	C02	C01	H013	67.2°	60.0°
C04	C02	C03	H033	52.5°	60.0°
C04	C02	C03	H031	67.5°	60.0°
C04	C02	C03	H032	172.5°	180.0°
C04	N05	C06	C07	177.8°	180.0°
C04	N05	C06	O28	1.1°	0.2°
N05	C04	N29	O28	0.3°	0.3°
N05	C04	C02	H021	60.4°	0.4°
N05	C06	C07	C08	13.7°	179.7°
N05	C06	C07	O28	176.3°	179.8°
N05	C06	O28	N29	0.9°	0.0°
C06	N05	C04	N29	0.9°	0.3°
N05	C06	C07	N27	172.3°	0.0°
C07	C08	N09	H081	180.0°	179.9°
C07	C08	N09	C10	178.3°	180.0°
C07	C08	N09	N26	1.1°	0.0°
C08	C07	N27	N26	1.7°	0.4°
C08	C07	C06	N27	174.0°	179.7°
C08	C07	C06	O28	162.6°	0.5°
C08	N09	C10	C11	5.8°	84.8°
C08	N09	C10	N26	176.9°	180.0°
C08	N09	N26	N27	0.0°	0.3°
N09	C08	C07	C06	176.3°	180.0°
N09	C08	C07	N27	1.7°	0.2°
C08	N09	C10	C15	131.7°	35.0°
C08	N09	C10	H101	113.1°	155.1°
C10	C11	C12	H112	119.8°	120.0°
C10	C11	C12	H111	119.8°	120.1°
C10	C11	C12	C13	51.4°	61.4°
C11	C10	C15	N14	56.9°	54.7°
C11	C10	N09	C15	125.8°	119.8°
C11	C10	N09	H101	118.9°	120.1°
C11	C10	N09	N26	177.3°	95.2°
C11	C10	C15	H101	117.3°	120.0°
C10	C11	H112	H111	120.7°	120.0°
C10	C11	C12	H122	69.3°	58.5°
C10	C11	C12	H121	172.1°	178.7°
C11	C10	C15	H151	178.1°	65.1°
C11	C10	C15	H152	64.2°	174.4°
C11	C12	C13	H122	120.7°	119.9°
C11	C12	C13	H121	120.7°	120.0°
C11	C12	C13	N14	37.2°	54.6°
C12	C11	C10	N09	175.1°	178.7°
C12	C11	C10	C15	60.5°	61.4°
C12	C11	C10	H101	56.3°	58.6°
C12	C11	H112	H111	120.7°	119.9°
C11	C12	H122	H121	117.8°	120.2°
C11	C12	C13	H132	158.6°	174.4°
C11	C12	C13	H131	84.2°	65.3°
C12	C13	N14	H132	121.4°	119.8°
C12	C13	N14	H131	121.3°	119.8°
C12	C13	N14	C15	28.8°	53.6°
C13	C12	C11	H112	171.2°	178.6°
C13	C12	C11	H111	68.4°	58.7°
C13	C12	H122	H121	117.9°	120.0°
C12	C13	H132	H131	115.6°	120.3°
C12	C13	N14	C16	151.1°	126.4°
C13	N14	C15	C16	122.3°	180.0°
C13	N14	C15	C10	37.9°	53.7°
N14	C13	C12	H122	83.5°	65.3°
N14	C13	C12	H121	157.9°	174.6°
N14	C13	H132	H131	115.7°	120.4°
C13	N14	C15	H151	158.9°	66.2°
C13	N14	C15	H152	83.2°	173.4°
C13	N14	C16	C17	9.9°	3.8°
C13	N14	C16	O16	9.9°	176.2°
N14	C15	C10	N09	176.0°	174.6°
N14	C15	C10	H151	121.1°	119.8°
N14	C15	C10	H152	121.1°	119.7°
N14	C15	C10	H101	60.3°	65.4°
C15	N14	C13	H132	150.2°	173.4°
C15	N14	C13	H131	92.5°	66.2°
N14	C15	H151	H152	116.6°	120.3°
C15	N14	C16	C17	113.5°	176.2°
C15	N14	C16	O16	113.5°	3.8°
C10	N09	N26	N27	177.6°	179.7°
N09	C10	C15	H101	115.7°	120.0°
C10	N09	C08	H081	1.7°	0.1°
N09	C10	C11	H112	55.3°	58.7°
N09	C10	C11	H111	65.1°	61.3°
N09	C10	C15	H151	54.9°	54.8°
N09	C10	C15	H152	62.9°	65.7°
N09	N26	N27	C07	1.1°	0.4°
N26	N09	C10	C15	51.4°	145.0°
N26	N09	C08	H081	179.0°	179.9°
N26	N09	C10	H101	63.8°	24.9°
N26	N27	C07	C06	177.1°	179.9°
C07	C06	O28	N29	178.1°	179.9°
C06	C07	C08	H081	3.7°	0.1°
C06	O28	N29	C04	0.4°	0.1°
O28	C06	C07	N27	11.4°	179.8°
N29	C04	C02	H021	119.6°	180.0°
N27	C07	C08	H081	178.4°	179.7°
C15	C10	C11	H112	179.7°	178.6°
C15	C10	C11	H111	59.3°	58.6°
C10	C15	H151	H152	116.5°	120.4°
C10	C15	N14	C16	160.1°	126.3°
H011	C01	H012	H013	120.0°	120.1°
H011	C01	C02	H021	63.9°	180.0°
H012	C01	C02	H021	56.1°	60.1°
H013	C01	C02	H021	176.1°	59.9°
H021	C02	C03	H033	63.9°	180.0°
H021	C02	C03	H031	176.1°	60.0°
H021	C02	C03	H032	56.1°	60.0°
H033	C03	H031	H032	119.9°	120.1°
H101	C10	C11	H112	63.5°	61.4°
H101	C10	C11	H111	176.0°	178.7°
H101	C10	C15	H151	60.8°	174.8°
H101	C10	C15	H152	178.6°	54.3°
H112	C11	C12	H122	50.5°	61.5°
H112	C11	C12	H121	68.1°	58.7°
H111	C11	C12	H122	170.9°	178.6°
H111	C11	C12	H121	52.3°	61.3°
H122	C12	C13	H132	37.9°	54.5°
H122	C12	C13	H131	155.1°	174.8°
H121	C12	C13	H132	80.8°	65.6°
H121	C12	C13	H131	36.5°	54.7°
H132	C13	N14	C16	87.5°	6.6°
H131	C13	N14	C16	29.8°	113.8°
H151	C15	N14	C16	78.8°	113.9°
H152	C15	N14	C16	39.0°	6.6°
N14	C16	C17	O16	90.0°	179.9°
N14	C16	C17	C18	90.0°	50.5°
N14	C16	C17	C22	90.0°	129.8°
C16	C17	C18	C22	90.0°	179.7°
C16	C17	C18	N19	90.0°	180.0°
C16	C17	C22	C21	90.0°	179.7°
C16	C17	C18	H181	90.0°	0.0°
C16	C17	C22	H221	90.0°	0.4°
O16	C16	C17	C18	90.0°	129.4°
O16	C16	C17	C22	90.0°	50.3°
C17	C18	N19	H181	90.0°	180.0°
C17	C18	N19	C20	90.0°	0.0°
C18	C17	C22	C21	90.0°	0.6°
C18	C17	C22	H221	90.0°	179.9°
C18	N19	C20	C21	90.0°	0.1°
N19	C18	C17	C22	90.0°	0.3°
C18	N19	C20	O23	90.0°	180.0°
N19	C20	C21	O23	90.0°	179.9°
N19	C20	C21	C22	90.0°	0.4°
N19	C20	O23	C24	90.0°	0.0°
C20	N19	C18	H181	90.0°	180.0°
N19	C20	C21	H211	90.0°	179.9°
C20	C21	C22	H211	90.0°	179.7°
C20	C21	C22	C17	90.0°	0.6°
C21	C20	O23	C24	90.0°	180.0°
C20	C21	C22	H221	90.0°	179.9°
C21	C22	C17	H221	90.0°	179.3°
C22	C21	C20	O23	90.0°	179.7°
C22	C17	C18	H181	90.0°	179.7°
C17	C22	C21	H211	90.0°	179.7°
O23	C20	C21	H211	90.0°	0.0°
C20	O23	C24	H241	90.0°	60.0°
C20	O23	C24	H242	90.0°	60.0°
C20	O23	C24	H243	90.0°	180.0°
O23	C24	H241	H242	90.0°	120.0°
O23	C24	H241	H243	90.0°	120.0°
O23	C24	H242	H243	90.0°	120.0°
H211	C21	C22	H221	90.0°	0.3°
H241	C24	H242	H243	90.0°	120.0°

Release date:	2026-06-10
Definition date:	2025-11-10
Last modified:	2026-06-05
Release status:	REL
Processing site:	RCSB
Derived from:	9YSO