6AX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.38Å	1.46Å
O14	C02	sing	1.35Å	1.34Å	Aromatic
O14	C05	sing	1.35Å	1.34Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C13	C07	sing	1.38Å	1.39Å	Aromatic
C02	N03	doub	1.31Å	1.32Å	Aromatic
C06	C05	sing	1.51Å	1.53Å
C06	C07	sing	1.51Å	1.53Å
C05	N04	doub	1.30Å	1.32Å	Aromatic
N03	N04	sing	1.29Å	1.37Å	Aromatic
C12	C10	sing	1.38Å	1.38Å	Aromatic
C07	C08	doub	1.38Å	1.39Å	Aromatic
C10	CL	sing	1.74Å	1.78Å
C10	C09	doub	1.38Å	1.39Å	Aromatic
C08	C09	sing	1.38Å	1.39Å	Aromatic
N01	H1	sing	0.97Å	1.00Å
N01	H2	sing	0.97Å	1.00Å
C06	H3	sing	1.09Å	1.10Å
C06	H4	sing	1.09Å	1.10Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	O14	125.5°	126.4°
N01	C02	N03	126.5°	126.4°
C02	N01	H1	109.5°	120.0°
C02	N01	H2	109.4°	120.0°
C02	O14	C05	108.4°	106.3°
O14	C02	N03	108.0°	107.3°
O14	C05	C06	123.4°	126.2°
O14	C05	N04	107.9°	107.6°
C12	C13	C07	120.7°	120.0°
C13	C12	C10	119.5°	120.0°
C13	C12	H7	120.2°	120.0°
C12	C13	H8	119.6°	120.0°
C13	C07	C06	118.3°	120.0°
C13	C07	C08	119.9°	120.0°
C07	C13	H8	119.7°	120.0°
C02	N03	N04	107.7°	109.3°
C05	C06	C07	116.2°	109.4°
C06	C05	N04	128.7°	126.3°
C05	C06	H3	107.8°	109.5°
C05	C06	H4	107.8°	109.5°
C06	C07	C08	121.8°	120.0°
C07	C06	H3	107.7°	109.5°
C07	C06	H4	107.8°	109.5°
C05	N04	N03	108.0°	109.6°
C12	C10	CL	118.9°	120.0°
C12	C10	C09	120.2°	120.0°
C10	C12	H7	120.3°	120.0°
C07	C08	C09	119.6°	120.0°
C07	C08	H5	120.2°	120.0°
CL	C10	C09	120.9°	120.0°
C10	C09	C08	120.2°	120.0°
C10	C09	H6	119.9°	120.0°
C09	C08	H5	120.2°	120.0°
C08	C09	H6	119.9°	120.0°
H1	N01	H2	109.5°	120.0°
H3	C06	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	O14	N03	180.0°	179.7°
N01	C02	O14	C05	180.0°	179.9°
N01	C02	N03	N04	179.9°	179.9°
C02	N01	H1	H2	120.0°	180.0°
C02	O14	C05	C06	180.0°	179.8°
C02	O14	C05	N04	0.1°	0.4°
O14	C02	N03	N04	0.1°	0.2°
O14	C02	N01	H1	0.0°	179.7°
O14	C02	N01	H2	120.0°	0.4°
C05	O14	C02	N03	0.0°	0.4°
O14	C05	C06	N04	179.8°	179.7°
O14	C05	C06	C07	174.4°	89.8°
O14	C05	N04	N03	0.2°	0.3°
O14	C05	C06	H3	64.7°	30.3°
O14	C05	C06	H4	53.4°	150.3°
C12	C13	C07	H8	180.0°	179.9°
C12	C13	C07	C06	179.4°	180.0°
C13	C12	C10	H7	180.0°	180.0°
C12	C13	C07	C08	1.4°	0.3°
C13	C12	C10	CL	179.5°	180.0°
C13	C12	C10	C09	0.6°	0.2°
C13	C07	C06	C05	124.1°	90.3°
C13	C07	C06	C08	178.0°	179.7°
C07	C13	C12	C10	1.1°	0.0°
C13	C07	C08	C09	1.2°	0.3°
C13	C07	C06	H3	3.1°	149.7°
C13	C07	C06	H4	115.0°	29.7°
C13	C07	C08	H5	178.8°	179.7°
C07	C13	C12	H7	178.9°	179.9°
C02	N03	N04	C05	0.1°	0.0°
N03	C02	N01	H1	180.0°	0.0°
N03	C02	N01	H2	60.0°	180.0°
C05	C06	C07	H3	121.0°	120.0°
C05	C06	C07	H4	121.0°	119.9°
C06	C05	N04	N03	180.0°	179.9°
C05	C06	C07	C08	58.0°	90.1°
C05	C06	H3	H4	117.0°	120.0°
C07	C06	C05	N04	5.5°	90.0°
C06	C07	C08	C09	179.1°	179.9°
C07	C06	H3	H4	117.0°	120.0°
C06	C07	C08	H5	0.9°	0.1°
C06	C07	C13	H8	0.6°	0.1°
N04	C05	C06	H3	115.5°	150.0°
N04	C05	C06	H4	126.4°	30.0°
C12	C10	CL	C09	179.9°	179.7°
C12	C10	C09	C08	0.5°	0.3°
C12	C10	C09	H6	179.5°	179.7°
C10	C12	C13	H8	178.9°	179.9°
C07	C08	C09	C10	0.8°	0.0°
C07	C08	C09	H5	180.0°	180.0°
C08	C07	C06	H3	179.0°	29.9°
C08	C07	C06	H4	63.0°	150.0°
C07	C08	C09	H6	179.2°	180.0°
C08	C07	C13	H8	178.6°	179.8°
CL	C10	C09	C08	179.6°	180.0°
CL	C10	C09	H6	0.4°	0.0°
CL	C10	C12	H7	0.5°	0.1°
C10	C09	C08	H6	180.0°	180.0°
C10	C09	C08	H5	179.2°	180.0°
C09	C10	C12	H7	179.4°	179.8°
H5	C08	C09	H6	0.8°	0.0°
H7	C12	C13	H8	1.1°	0.0°

Release date:	2017-02-22
Definition date:	2016-02-26
Last modified:	2017-02-17
Release status:	REL
Processing site:	RCSB
Derived from:	5IF8