X0L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C10	doub	1.21Å	1.19Å
C08	C05	sing	1.51Å	1.54Å
C08	N09	sing	1.46Å	1.49Å
C10	N09	sing	1.35Å	1.47Å
C10	C12	sing	1.49Å	1.50Å
O13	C12	doub	1.21Å	1.25Å
C05	C04	doub	1.38Å	1.40Å	Aromatic
C05	C06	sing	1.38Å	1.41Å	Aromatic
N09	C20	sing	1.39Å	1.49Å
C04	C03	sing	1.38Å	1.39Å	Aromatic
C12	N14	sing	1.35Å	1.44Å
C06	C07	doub	1.38Å	1.39Å	Aromatic
C03	C02	doub	1.38Å	1.42Å	Aromatic
C07	C02	sing	1.38Å	1.39Å	Aromatic
C02	C01	sing	1.51Å	1.54Å
C20	C19	doub	1.39Å	1.40Å	Aromatic
C20	C15	sing	1.40Å	1.39Å	Aromatic
N14	C15	sing	1.39Å	1.47Å
C19	C18	sing	1.38Å	1.39Å	Aromatic
C15	C16	doub	1.39Å	1.41Å	Aromatic
C18	C17	doub	1.38Å	1.40Å	Aromatic
C16	C17	sing	1.38Å	1.41Å	Aromatic
C17	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.08Å	1.08Å
C04	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
N14	H11	sing	0.97Å	1.00Å
C16	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C10	N09	122.5°	120.4°
O11	C10	C12	115.5°	120.3°
C05	C08	N09	108.3°	109.5°
C08	C05	C04	120.8°	120.0°
C08	C05	C06	119.8°	120.0°
C05	C08	H9	109.8°	109.5°
C05	C08	H10	109.7°	109.4°
C08	N09	C10	122.2°	119.9°
C08	N09	C20	117.2°	120.0°
N09	C08	H9	109.8°	109.5°
N09	C08	H10	109.8°	109.5°
N09	C10	C12	122.0°	119.3°
C10	N09	C20	120.6°	120.1°
C10	C12	O13	122.6°	120.3°
C10	C12	N14	112.7°	119.4°
O13	C12	N14	124.7°	120.3°
C04	C05	C06	119.3°	120.0°
C05	C04	C03	118.9°	120.0°
C05	C04	H6	120.5°	120.0°
C05	C06	C07	121.7°	120.0°
C05	C06	H7	119.2°	120.0°
N09	C20	C19	124.7°	119.7°
N09	C20	C15	118.2°	120.6°
C04	C03	C02	121.7°	120.0°
C04	C03	H5	119.1°	120.0°
C03	C04	H6	120.5°	120.0°
C12	N14	C15	126.2°	120.0°
C12	N14	H11	116.9°	120.0°
C06	C07	C02	119.5°	120.0°
C07	C06	H7	119.1°	120.0°
C06	C07	H8	120.3°	120.0°
C03	C02	C07	118.8°	120.0°
C03	C02	C01	121.7°	120.0°
C02	C03	H5	119.2°	120.0°
C07	C02	C01	119.5°	120.0°
C02	C07	H8	120.2°	120.0°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.5°
C19	C20	C15	117.0°	119.7°
C20	C19	C18	122.3°	120.0°
C20	C19	H14	118.8°	119.9°
C20	C15	N14	120.1°	120.6°
C20	C15	C16	119.7°	119.7°
N14	C15	C16	120.1°	119.7°
C15	N14	H11	116.9°	119.9°
C19	C18	C17	122.4°	120.3°
C19	C18	H13	118.8°	119.8°
C18	C19	H14	118.9°	120.0°
C15	C16	C17	124.4°	120.0°
C15	C16	H12	117.8°	119.9°
C18	C17	C16	114.0°	120.2°
C18	C17	H1	123.0°	119.9°
C17	C18	H13	118.8°	119.9°
C16	C17	H1	123.0°	119.8°
C17	C16	H12	117.8°	120.0°
H2	C01	H3	109.5°	109.5°
H2	C01	H4	109.4°	109.5°
H3	C01	H4	109.5°	109.6°
H9	C08	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C10	N09	C08	0.4°	0.3°
O11	C10	N09	C12	178.8°	179.6°
O11	C10	C12	O13	0.9°	0.3°
O11	C10	N09	C20	179.9°	179.7°
O11	C10	C12	N14	179.2°	179.7°
C05	C08	N09	H9	119.8°	120.0°
C05	C08	N09	H10	119.8°	120.0°
C05	C08	N09	C10	101.9°	90.0°
C08	C05	C04	C06	176.3°	179.9°
C05	C08	N09	C20	77.6°	90.0°
C08	C05	C04	C03	178.8°	180.0°
C08	C05	C06	C07	177.9°	179.7°
C08	C05	C04	H6	1.3°	0.0°
C08	C05	C06	H7	2.1°	0.0°
C05	C08	H9	H10	120.5°	120.0°
C08	N09	C10	C20	179.5°	179.9°
C08	N09	C10	C12	179.2°	179.9°
N09	C08	C05	C04	136.0°	90.0°
N09	C08	C05	C06	47.6°	90.1°
C08	N09	C20	C19	1.0°	0.0°
C08	N09	C20	C15	178.3°	180.0°
N09	C08	H9	H10	120.6°	120.0°
N09	C10	C12	O13	178.0°	179.9°
N09	C10	C12	N14	1.8°	0.1°
C10	N09	C20	C19	179.5°	180.0°
C10	N09	C20	C15	2.2°	0.1°
C10	N09	C08	H9	17.9°	30.0°
C10	N09	C08	H10	138.3°	150.1°
C10	C12	O13	N14	179.8°	180.0°
C12	C10	N09	C20	1.3°	0.1°
C10	C12	N14	C15	3.6°	0.1°
C10	C12	N14	H11	176.4°	180.0°
O13	C12	N14	C15	176.3°	179.9°
O13	C12	N14	H11	3.8°	0.0°
C05	C04	C03	H6	180.0°	179.9°
C04	C05	C06	C07	1.5°	0.3°
C05	C04	C03	C02	2.1°	0.1°
C05	C04	C03	H5	177.9°	180.0°
C04	C05	C06	H7	178.5°	179.9°
C04	C05	C08	H9	104.2°	150.0°
C04	C05	C08	H10	16.2°	30.0°
C06	C05	C04	C03	2.4°	0.1°
C05	C06	C07	H7	180.0°	179.7°
C05	C06	C07	C02	0.2°	0.6°
C06	C05	C04	H6	177.6°	180.0°
C05	C06	C07	H8	179.8°	180.0°
C06	C05	C08	H9	72.2°	29.9°
C06	C05	C08	H10	167.5°	150.0°
N09	C20	C19	C15	177.3°	180.0°
N09	C20	C15	N14	3.7°	0.1°
N09	C20	C19	C18	178.7°	180.0°
N09	C20	C15	C16	179.5°	180.0°
C20	N09	C08	H9	162.6°	150.0°
C20	N09	C08	H10	42.2°	30.0°
N09	C20	C19	H14	1.3°	0.0°
C04	C03	C02	H5	180.0°	179.9°
C04	C03	C02	C07	0.8°	0.3°
C04	C03	C02	C01	178.3°	180.0°
C12	N14	C15	C20	4.7°	0.1°
C12	N14	C15	H11	180.0°	179.9°
C12	N14	C15	C16	179.4°	180.0°
C06	C07	C02	C03	0.2°	0.6°
C06	C07	C02	H8	180.0°	179.5°
C06	C07	C02	C01	179.3°	179.7°
C03	C02	C07	C01	179.1°	179.7°
C03	C02	C01	H2	89.5°	90.0°
C03	C02	C01	H3	150.5°	150.0°
C03	C02	C01	H4	30.5°	29.9°
C02	C03	C04	H6	177.9°	180.0°
C03	C02	C07	H8	179.8°	180.0°
C07	C02	C01	H2	89.6°	90.3°
C07	C02	C01	H3	30.4°	29.7°
C07	C02	C01	H4	150.4°	149.8°
C07	C02	C03	H5	179.3°	179.8°
C02	C07	C06	H7	179.9°	179.7°
C02	C01	H2	H3	120.0°	120.0°
C02	C01	H2	H4	120.0°	119.9°
C02	C01	H3	H4	120.0°	120.0°
C01	C02	C03	H5	1.6°	0.1°
C01	C02	C07	H8	0.7°	0.3°
C19	C20	C15	N14	178.8°	180.0°
C20	C19	C18	H14	180.0°	180.0°
C19	C20	C15	C16	3.0°	0.0°
C20	C19	C18	C17	0.3°	0.1°
C20	C19	C18	H13	179.8°	180.0°
C20	C15	N14	C16	175.8°	180.0°
C15	C20	C19	C18	4.0°	0.0°
C20	C15	C16	C17	1.7°	0.0°
C20	C15	N14	H11	175.2°	180.0°
C20	C15	C16	H12	178.3°	180.0°
C15	C20	C19	H14	176.0°	180.0°
N14	C15	C16	C17	174.2°	180.0°
N14	C15	C16	H12	5.9°	0.1°
C19	C18	C17	H13	180.0°	180.0°
C19	C18	C17	C16	4.1°	0.1°
C19	C18	C17	H1	175.9°	180.0°
C15	C16	C17	C18	5.1°	0.1°
C15	C16	C17	H12	180.0°	180.0°
C15	C16	C17	H1	174.9°	180.0°
C16	C15	N14	H11	0.6°	0.1°
C18	C17	C16	H1	180.0°	179.9°
C18	C17	C16	H12	174.8°	179.9°
C17	C18	C19	H14	179.7°	180.0°
C16	C17	C18	H13	175.9°	179.9°
H1	C17	C16	H12	5.1°	0.0°
H1	C17	C18	H13	4.1°	0.0°
H2	C01	H3	H4	119.9°	120.0°
H5	C03	C04	H6	2.1°	0.1°
H7	C06	C07	H8	0.2°	0.2°
H13	C18	C19	H14	0.2°	0.0°

Release date:	2024-03-27
Definition date:	2023-10-17
Last modified:	2024-03-22
Release status:	REL
Processing site:	PDBE
Derived from:	8QUY