A1ASK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	N01	sing	1.40Å	1.42Å
C01	C02	doub	1.39Å	1.41Å	Aromatic
C01	C07	sing	1.39Å	1.40Å	Aromatic
N01	C08	sing	1.35Å	1.39Å
C02	C03	sing	1.38Å	1.40Å	Aromatic
C03	C04	sing	1.51Å	1.52Å
C03	C05	doub	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.38Å	1.40Å	Aromatic
C06	C07	doub	1.38Å	1.39Å	Aromatic
C08	N02	sing	1.35Å	1.38Å
C08	S01	doub	1.71Å	1.68Å
N02	C09	sing	1.47Å	1.47Å
C09	C10	sing	1.53Å	1.54Å
C10	N03	sing	1.47Å	1.49Å
N03	C11	sing	1.47Å	1.48Å
N03	C12	sing	1.47Å	1.47Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C02	H02	sing	1.08Å	1.08Å
C04	H03	sing	1.09Å	1.10Å
C04	H05	sing	1.09Å	1.10Å
C04	H04	sing	1.09Å	1.10Å
C05	H06	sing	1.08Å	1.08Å
C06	H07	sing	1.08Å	1.08Å
C07	H08	sing	1.08Å	1.08Å
C09	H09	sing	1.09Å	1.10Å
C09	H18	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
N01	H01	sing	0.97Å	1.00Å
N02	H19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C01	C02	120.0°	120.0°
N01	C01	C07	119.2°	120.1°
C01	N01	C08	127.0°	120.1°
C01	N01	H01	116.5°	120.0°
C02	C01	C07	120.7°	119.9°
C01	C02	C03	120.0°	119.9°
C01	C02	H02	120.0°	120.0°
C01	C07	C06	119.1°	119.9°
C01	C07	H08	120.5°	120.0°
N01	C08	N02	114.7°	120.0°
N01	C08	S01	119.0°	120.0°
C08	N01	H01	116.5°	120.0°
C02	C03	C04	122.4°	119.9°
C02	C03	C05	118.6°	120.1°
C03	C02	H02	120.0°	120.1°
C04	C03	C05	119.0°	120.0°
C03	C04	H03	109.5°	109.5°
C03	C04	H05	109.5°	109.4°
C03	C04	H04	109.5°	109.5°
C03	C05	C06	121.5°	120.2°
C03	C05	H06	119.3°	120.0°
C05	C06	C07	120.1°	120.0°
C06	C05	H06	119.3°	119.8°
C05	C06	H07	119.9°	120.0°
C07	C06	H07	120.0°	120.0°
C06	C07	H08	120.5°	120.1°
N02	C08	S01	126.3°	120.0°
C08	N02	C09	122.1°	120.0°
C08	N02	H19	119.0°	120.0°
N02	C09	C10	110.9°	109.5°
N02	C09	H09	109.1°	109.5°
N02	C09	H18	109.1°	109.4°
C09	N02	H19	118.9°	120.0°
C09	C10	N03	107.5°	109.4°
C09	C10	H10	109.9°	109.4°
C09	C10	H11	110.0°	109.5°
C10	C09	H09	109.1°	109.5°
C10	C09	H18	109.2°	109.5°
C10	N03	C11	111.6°	111.0°
C10	N03	C12	109.2°	110.9°
N03	C10	H10	110.0°	109.5°
N03	C10	H11	110.0°	109.5°
C11	N03	C12	108.1°	111.0°
N03	C11	H13	109.5°	109.5°
N03	C11	H14	109.5°	109.5°
N03	C11	H12	109.4°	109.5°
N03	C12	H15	109.5°	109.5°
N03	C12	H16	109.5°	109.4°
N03	C12	H17	109.5°	109.5°
H10	C10	H11	109.5°	109.5°
H03	C04	H05	109.4°	109.5°
H03	C04	H04	109.4°	109.5°
H05	C04	H04	109.5°	109.5°
H09	C09	H18	109.5°	109.5°
H13	C11	H14	109.5°	109.5°
H13	C11	H12	109.5°	109.4°
H14	C11	H12	109.5°	109.5°
H15	C12	H16	109.5°	109.5°
H15	C12	H17	109.4°	109.5°
H16	C12	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C01	C02	C07	179.9°	179.7°
C01	N01	C08	H01	180.0°	180.0°
N01	C01	C02	C03	179.7°	180.0°
N01	C01	C07	C06	179.6°	179.7°
C01	N01	C08	N02	174.5°	174.4°
C01	N01	C08	S01	5.7°	5.6°
N01	C01	C02	H02	0.3°	0.0°
N01	C01	C07	H08	0.4°	0.0°
C02	C01	N01	C08	74.6°	41.9°
C01	C02	C03	H02	180.0°	179.9°
C01	C02	C03	C04	179.7°	180.0°
C01	C02	C03	C05	0.3°	0.0°
C02	C01	C07	C06	0.4°	0.5°
C02	C01	C07	H08	179.6°	179.7°
C02	C01	N01	H01	105.5°	138.1°
C07	C01	N01	C08	105.5°	138.4°
C07	C01	C02	C03	0.2°	0.3°
C01	C07	C06	C05	0.0°	0.5°
C01	C07	C06	H08	180.0°	179.8°
C07	C01	C02	H02	179.7°	179.8°
C01	C07	C06	H07	180.0°	179.8°
C07	C01	N01	H01	74.5°	41.6°
N01	C08	N02	S01	179.8°	180.0°
N01	C08	N02	C09	167.5°	180.0°
N01	C08	N02	H19	12.5°	0.1°
C02	C03	C04	C05	179.4°	179.9°
C02	C03	C05	C06	0.7°	0.0°
C02	C03	C04	H03	89.7°	90.0°
C02	C03	C04	H05	150.3°	150.0°
C02	C03	C04	H04	30.3°	30.0°
C02	C03	C05	H06	179.3°	180.0°
C04	C03	C05	C06	179.9°	180.0°
C04	C03	C02	H02	0.3°	0.1°
C03	C04	H03	H05	120.0°	120.0°
C03	C04	H03	H04	120.0°	120.0°
C03	C04	H05	H04	120.0°	120.0°
C04	C03	C05	H06	0.2°	0.0°
C03	C05	C06	H06	180.0°	180.0°
C03	C05	C06	C07	0.6°	0.3°
C05	C03	C02	H02	179.7°	180.0°
C05	C03	C04	H03	89.7°	89.9°
C05	C03	C04	H05	30.3°	30.0°
C05	C03	C04	H04	150.3°	150.0°
C03	C05	C06	H07	179.4°	180.0°
C05	C06	C07	H07	180.0°	179.7°
C05	C06	C07	H08	180.0°	179.7°
C07	C06	C05	H06	179.4°	179.7°
C08	N02	C09	H19	180.0°	179.9°
C08	N02	C09	C10	127.8°	180.0°
C08	N02	C09	H09	7.6°	60.0°
C08	N02	C09	H18	111.9°	60.0°
N02	C08	N01	H01	5.4°	5.6°
S01	C08	N02	C09	12.2°	0.0°
S01	C08	N01	H01	174.3°	174.4°
S01	C08	N02	H19	167.8°	179.9°
N02	C09	C10	H09	120.2°	120.0°
N02	C09	C10	H18	120.2°	119.9°
N02	C09	C10	N03	73.5°	180.0°
N02	C09	C10	H10	166.8°	60.0°
N02	C09	C10	H11	46.2°	59.9°
N02	C09	H09	H18	119.3°	120.0°
C09	C10	N03	H10	119.7°	119.9°
C09	C10	N03	H11	119.7°	120.0°
C09	C10	N03	C11	47.5°	66.0°
C09	C10	N03	C12	167.0°	170.0°
C09	C10	H10	H11	120.9°	120.0°
C10	C09	H09	H18	119.4°	120.0°
C10	C09	N02	H19	52.2°	0.1°
C10	N03	C11	C12	120.1°	123.9°
N03	C10	H10	H11	120.9°	120.1°
N03	C10	C09	H09	46.7°	60.0°
N03	C10	C09	H18	166.3°	60.1°
C10	N03	C11	H13	180.0°	59.9°
C10	N03	C11	H14	60.0°	179.9°
C10	N03	C11	H12	60.0°	59.9°
C10	N03	C12	H15	180.0°	60.0°
C10	N03	C12	H16	60.0°	180.0°
C10	N03	C12	H17	60.0°	60.1°
C11	N03	C10	H10	72.2°	53.9°
C11	N03	C10	H11	167.2°	173.9°
N03	C11	H13	H14	120.0°	120.0°
N03	C11	H13	H12	120.0°	119.9°
N03	C11	H14	H12	120.0°	120.1°
C11	N03	C12	H15	58.4°	176.0°
C11	N03	C12	H16	61.6°	56.0°
C11	N03	C12	H17	178.4°	63.9°
C12	N03	C10	H10	47.3°	70.1°
C12	N03	C10	H11	73.3°	50.0°
C12	N03	C11	H13	59.9°	64.0°
C12	N03	C11	H14	179.9°	56.0°
C12	N03	C11	H12	60.1°	176.1°
N03	C12	H15	H16	120.1°	120.0°
N03	C12	H15	H17	120.0°	120.0°
N03	C12	H16	H17	120.0°	120.0°
H10	C10	C09	H09	73.0°	60.0°
H10	C10	C09	H18	46.6°	180.0°
H11	C10	C09	H09	166.4°	179.9°
H11	C10	C09	H18	74.0°	60.0°
H03	C04	H05	H04	119.9°	120.0°
H06	C05	C06	H07	0.6°	0.0°
H07	C06	C07	H08	0.0°	0.0°
H09	C09	N02	H19	172.4°	119.9°
H18	C09	N02	H19	68.1°	120.1°
H13	C11	H14	H12	120.0°	119.9°
H15	C12	H16	H17	120.0°	120.0°

Release date:	2024-07-31
Definition date:	2024-05-16
Last modified:	2024-07-26
Release status:	REL
Processing site:	RCSB
Derived from:	9BRV