T6V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	1.23Å
C02	C03	sing	1.51Å	1.51Å
C02	N05	sing	1.35Å	1.37Å
C06	C07	doub	1.39Å	1.39Å	Aromatic
C07	C08	sing	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.38Å	1.38Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
N05	C06	sing	1.40Å	1.44Å
N05	C12	sing	1.46Å	1.46Å
C12	C13	sing	1.50Å	1.52Å
C13	C14	doub	1.30Å	1.32Å
C14	S15	sing	1.78Å	1.75Å
S15	O16	doub	1.42Å	1.44Å
S15	O17	doub	1.42Å	1.44Å
S15	C18	sing	1.84Å	1.78Å
C06	C11	sing	1.39Å	1.39Å	Aromatic
C12	C18	sing	1.55Å	1.54Å
C10	H101	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C03	H1	sing	1.09Å	1.10Å
C07	H071	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C12	H121	sing	1.09Å	1.10Å
C14	H141	sing	1.08Å	1.08Å
C18	H182	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	120.4°	120.0°
O01	C02	N05	121.7°	120.0°
C03	C02	N05	117.9°	120.0°
C02	C03	H031	109.5°	109.5°
C02	C03	H032	109.4°	109.5°
C02	C03	H1	109.5°	109.5°
C02	N05	C06	122.2°	120.0°
C02	N05	C12	119.4°	120.0°
C06	C07	C08	120.0°	120.0°
C07	C06	N05	121.0°	120.1°
C07	C06	C11	119.0°	119.8°
C06	C07	H071	120.0°	120.0°
C07	C08	C09	120.6°	120.1°
C08	C07	H071	120.0°	120.0°
C07	C08	H081	119.7°	120.0°
C08	C09	C10	119.8°	120.1°
C09	C08	H081	119.7°	119.9°
C08	C09	H091	120.1°	120.0°
C09	C10	C11	120.5°	120.1°
C09	C10	H101	119.7°	120.0°
C10	C09	H091	120.1°	119.9°
C10	C11	C06	120.2°	119.9°
C11	C10	H101	119.8°	120.0°
C10	C11	H111	119.9°	120.0°
C06	N05	C12	118.4°	120.0°
N05	C06	C11	119.9°	120.1°
N05	C12	C13	111.3°	109.4°
N05	C12	C18	113.8°	109.4°
N05	C12	H121	109.4°	109.4°
C12	C13	C14	112.0°	119.2°
C13	C12	C18	105.0°	109.8°
C12	C13	H131	124.0°	120.4°
C13	C12	H121	108.7°	109.4°
C13	C14	S15	109.9°	107.5°
C14	C13	H131	124.0°	120.5°
C13	C14	H141	125.0°	126.2°
C14	S15	O16	110.2°	105.6°
C14	S15	O17	110.5°	105.6°
C14	S15	C18	94.6°	96.9°
S15	C14	H141	125.1°	126.3°
O16	S15	O17	117.4°	122.0°
O16	S15	C18	110.8°	112.0°
O17	S15	C18	110.9°	111.3°
S15	C18	C12	105.4°	99.7°
S15	C18	H182	110.5°	111.2°
S15	C18	H181	110.5°	111.6°
C06	C11	H111	119.9°	120.0°
C18	C12	H121	108.4°	109.4°
C12	C18	H182	110.5°	111.3°
C12	C18	H181	110.5°	111.3°
H031	C03	H032	109.5°	109.5°
H031	C03	H1	109.5°	109.4°
H032	C03	H1	109.5°	109.5°
H182	C18	H181	109.5°	111.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	N05	179.4°	180.0°
O01	C02	N05	C06	168.2°	5.5°
O01	C02	N05	C12	11.2°	174.6°
O01	C02	C03	H031	0.0°	176.2°
O01	C02	C03	H032	120.0°	56.2°
O01	C02	C03	H1	120.0°	63.8°
C03	C02	N05	C06	12.5°	174.6°
C03	C02	N05	C12	168.1°	5.4°
C02	C03	H031	H032	120.0°	120.0°
C02	C03	H031	H1	120.0°	120.0°
C02	C03	H032	H1	120.0°	120.0°
C02	N05	C06	C07	78.7°	96.8°
C02	N05	C06	C12	179.4°	180.0°
C02	N05	C12	C13	94.1°	63.2°
C02	N05	C06	C11	105.0°	83.8°
C02	N05	C12	C18	147.5°	176.5°
N05	C02	C03	H031	179.3°	3.8°
N05	C02	C03	H032	60.6°	123.8°
N05	C02	C03	H1	59.3°	116.2°
C02	N05	C12	H121	26.1°	56.7°
C06	C07	C08	H071	180.0°	179.5°
C06	C07	C08	C09	1.3°	0.7°
C07	C06	C11	C10	1.3°	0.0°
C07	C06	N05	C11	176.3°	179.5°
C07	C06	N05	C12	101.9°	83.2°
C06	C07	C08	H081	178.7°	179.9°
C07	C06	C11	H111	178.7°	180.0°
C07	C08	C09	H081	180.0°	179.3°
C07	C08	C09	C10	0.1°	0.5°
C08	C07	C06	N05	178.2°	180.0°
C08	C07	C06	C11	1.9°	0.5°
C07	C08	C09	H091	179.9°	179.5°
C08	C09	C10	H091	180.0°	180.0°
C08	C09	C10	C11	0.6°	0.0°
C08	C09	C10	H101	179.4°	179.7°
C09	C08	C07	H071	178.7°	179.8°
C09	C10	C11	H101	180.0°	179.7°
C09	C10	C11	C06	0.0°	0.2°
C10	C09	C08	H081	179.9°	179.8°
C09	C10	C11	H111	179.9°	179.7°
C10	C11	C06	N05	177.6°	179.5°
C10	C11	C06	H111	180.0°	179.9°
C11	C10	C09	H091	179.4°	180.0°
C06	N05	C12	C13	86.4°	116.8°
C06	N05	C12	C18	31.9°	3.5°
N05	C06	C07	H071	1.8°	0.5°
N05	C06	C11	H111	2.3°	0.6°
C06	N05	C12	H121	153.4°	123.3°
N05	C12	C13	C18	123.5°	120.1°
N05	C12	C13	H121	120.6°	119.8°
N05	C12	C13	C14	163.2°	101.5°
N05	C12	C18	S15	148.1°	94.8°
C12	N05	C06	C11	74.4°	96.3°
N05	C12	C18	H121	122.0°	119.8°
N05	C12	C13	H131	16.8°	78.8°
N05	C12	C18	H182	92.6°	22.6°
N05	C12	C18	H181	28.7°	147.3°
C12	C13	C14	H131	180.0°	179.7°
C12	C13	C14	S15	33.7°	0.1°
C13	C12	C18	S15	26.2°	25.3°
C13	C12	C18	H121	116.1°	120.1°
C12	C13	C14	H141	146.3°	180.0°
C13	C12	C18	H182	145.5°	142.7°
C13	C12	C18	H181	93.2°	92.6°
C13	C14	S15	H141	180.0°	180.0°
C13	C14	S15	O16	100.0°	100.5°
C13	C14	S15	O17	128.5°	129.1°
C13	C14	S15	C18	14.2°	14.7°
C14	C13	C12	C18	39.6°	18.6°
C14	C13	C12	H121	76.2°	138.7°
C14	S15	O16	O17	127.7°	120.1°
C14	S15	O16	C18	103.4°	104.3°
C14	S15	O17	C18	103.5°	104.1°
C14	S15	C18	C12	8.7°	22.8°
S15	C14	C13	H131	146.3°	179.7°
C14	S15	C18	H182	128.0°	140.4°
C14	S15	C18	H181	110.7°	94.9°
O16	S15	O17	C18	128.9°	135.8°
O16	S15	C18	C12	122.4°	87.1°
O16	S15	C14	H141	80.0°	79.6°
O16	S15	C18	H182	118.3°	30.4°
O16	S15	C18	H181	3.0°	155.2°
O17	S15	C18	C12	105.3°	132.6°
O17	S15	C14	H141	51.5°	50.8°
O17	S15	C18	H182	14.1°	109.9°
O17	S15	C18	H181	135.3°	14.9°
S15	C18	C12	H182	119.3°	117.4°
S15	C18	C12	H181	119.4°	117.9°
S15	C18	C12	H121	89.9°	145.4°
C18	S15	C14	H141	165.8°	165.3°
S15	C18	H182	H181	121.9°	125.0°
C06	C11	C10	H101	180.0°	179.9°
C11	C06	C07	H071	178.1°	180.0°
C18	C12	C13	H131	140.4°	161.1°
C12	C18	H182	H181	121.9°	124.8°
H101	C10	C09	H091	0.6°	0.3°
H101	C10	C11	H111	0.0°	0.0°
H131	C13	C12	H121	103.8°	41.0°
H131	C13	C14	H141	33.7°	0.3°
H031	C03	H032	H1	120.0°	119.9°
H071	C07	C08	H081	1.3°	0.4°
H081	C08	C09	H091	0.1°	0.2°
H121	C12	C18	H182	29.4°	97.2°
H121	C12	C18	H181	150.7°	27.5°

Release date:	2020-03-25
Definition date:	2020-03-16
Last modified:	2020-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	5RFG