A1LWQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C09	doub	1.21Å	1.18Å
C09	C10	sing	1.49Å	1.54Å
C09	C08	sing	1.51Å	1.54Å
O12	C10	doub	1.21Å	1.28Å
C10	O13	sing	1.35Å	1.26Å
C08	C03	sing	1.51Å	1.53Å
C03	C04	doub	1.38Å	1.39Å	Aromatic
C03	C02	sing	1.38Å	1.39Å	Aromatic
C04	C05	sing	1.38Å	1.38Å	Aromatic
C02	C01	doub	1.38Å	1.39Å	Aromatic
C05	C06	doub	1.39Å	1.39Å	Aromatic
C01	C06	sing	1.39Å	1.39Å	Aromatic
C06	N07	sing	1.40Å	1.45Å
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.09Å	1.10Å
C08	H6	sing	1.09Å	1.10Å
N07	H7	sing	0.97Å	1.00Å
N07	H8	sing	0.97Å	1.00Å
O13	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C09	C10	117.4°	120.0°
O11	C09	C08	114.6°	120.0°
C10	C09	C08	128.1°	120.0°
C09	C10	O12	121.9°	120.0°
C09	C10	O13	121.4°	120.0°
C09	C08	C03	119.6°	109.4°
C09	C08	H5	106.9°	109.5°
C09	C08	H6	106.9°	109.5°
O12	C10	O13	116.7°	120.0°
C10	O13	H9	109.5°	117.0°
C08	C03	C04	122.2°	119.9°
C08	C03	C02	118.6°	120.0°
C03	C08	H5	106.9°	109.5°
C03	C08	H6	106.9°	109.5°
C04	C03	C02	119.2°	120.1°
C03	C04	C05	120.6°	120.1°
C03	C04	H3	119.7°	120.0°
C03	C02	C01	120.7°	120.1°
C03	C02	H2	119.7°	119.9°
C04	C05	C06	119.9°	119.9°
C05	C04	H3	119.7°	120.0°
C04	C05	H4	120.1°	120.1°
C02	C01	C06	119.6°	120.0°
C02	C01	H1	120.2°	120.0°
C01	C02	H2	119.7°	120.0°
C05	C06	C01	120.0°	119.8°
C05	C06	N07	119.6°	120.1°
C06	C05	H4	120.0°	120.0°
C01	C06	N07	120.3°	120.1°
C06	C01	H1	120.2°	120.0°
C06	N07	H7	109.5°	120.0°
C06	N07	H8	109.5°	120.0°
H5	C08	H6	109.4°	109.5°
H7	N07	H8	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C09	C10	C08	179.8°	180.0°
O11	C09	C10	O12	22.1°	179.7°
O11	C09	C10	O13	156.8°	0.0°
O11	C09	C08	C03	178.2°	0.0°
O11	C09	C08	H5	60.3°	120.0°
O11	C09	C08	H6	56.8°	120.0°
C09	C10	O12	O13	178.9°	179.7°
C10	C09	C08	C03	1.6°	180.0°
C10	C09	C08	H5	119.8°	60.0°
C10	C09	C08	H6	123.1°	60.0°
C09	C10	O13	H9	179.0°	180.0°
C08	C09	C10	O12	157.7°	0.3°
C08	C09	C10	O13	23.4°	180.0°
C09	C08	C03	H5	121.5°	120.0°
C09	C08	C03	H6	121.5°	120.0°
C09	C08	C03	C04	45.8°	90.0°
C09	C08	C03	C02	136.7°	90.0°
C09	C08	H5	H6	115.4°	120.0°
O12	C10	O13	H9	0.0°	0.3°
C08	C03	C04	C02	177.5°	180.0°
C08	C03	C04	C05	179.7°	180.0°
C08	C03	C02	C01	179.4°	180.0°
C08	C03	C02	H2	0.6°	0.0°
C08	C03	C04	H3	0.3°	0.0°
C03	C08	H5	H6	115.4°	120.0°
C03	C04	C05	H3	180.0°	180.0°
C04	C03	C02	C01	1.8°	0.0°
C03	C04	C05	C06	1.3°	0.0°
C04	C03	C02	H2	178.2°	180.0°
C03	C04	C05	H4	178.7°	180.0°
C04	C03	C08	H5	75.7°	150.0°
C04	C03	C08	H6	167.2°	30.0°
C02	C03	C04	C05	2.3°	0.0°
C03	C02	C01	H2	180.0°	180.0°
C03	C02	C01	C06	0.4°	0.0°
C03	C02	C01	H1	179.6°	179.7°
C02	C03	C04	H3	177.7°	180.0°
C02	C03	C08	H5	101.8°	30.0°
C02	C03	C08	H6	15.3°	150.0°
C04	C05	C06	H4	180.0°	180.0°
C04	C05	C06	C01	0.1°	0.0°
C04	C05	C06	N07	179.1°	179.7°
C02	C01	C06	C05	0.6°	0.0°
C02	C01	C06	H1	180.0°	179.7°
C02	C01	C06	N07	179.5°	179.7°
C05	C06	C01	N07	178.9°	179.7°
C05	C06	C01	H1	179.4°	179.7°
C06	C05	C04	H3	178.7°	180.0°
C05	C06	N07	H7	180.0°	179.7°
C05	C06	N07	H8	60.0°	0.3°
C06	C01	C02	H2	179.6°	180.0°
C01	C06	C05	H4	179.8°	180.0°
C01	C06	N07	H7	1.1°	0.0°
C01	C06	N07	H8	121.1°	180.0°
N07	C06	C01	H1	0.5°	0.0°
N07	C06	C05	H4	0.9°	0.3°
C06	N07	H7	H8	120.0°	180.0°
H1	C01	C02	H2	0.4°	0.3°
H3	C04	C05	H4	1.3°	0.0°

Release date:	2025-01-15
Definition date:	2024-01-16
Last modified:	2025-01-10
Release status:	REL
Processing site:	PDBJ
Derived from:	8XQZ