T0Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	sing	1.43Å	1.41Å
C03	C02	sing	1.53Å	1.44Å
C04	C03	sing	1.53Å	1.53Å
N05	C04	sing	1.47Å	1.44Å
C07	C06	sing	1.51Å	1.54Å
C08	C07	sing	1.38Å	1.53Å	Aromatic
C09	C08	doub	1.33Å	1.43Å	Aromatic
S10	C09	sing	1.76Å	1.62Å	Aromatic
C11	S10	sing	1.76Å	1.62Å	Aromatic
C06	N05	sing	1.47Å	1.24Å
C12	N05	sing	1.47Å	1.45Å
C13	C12	sing	1.53Å	1.53Å
C02	C13	sing	1.53Å	1.44Å
C07	C11	doub	1.33Å	1.43Å	Aromatic
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C04	H041	sing	1.09Å	1.10Å
C04	H042	sing	1.09Å	1.10Å
C06	H061	sing	1.09Å	1.10Å
C06	H062	sing	1.09Å	1.10Å
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
C12	H122	sing	1.09Å	1.10Å
O01	H011	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	109.3°	109.5°
O01	C02	C13	111.8°	109.5°
O01	C02	H021	108.5°	109.5°
C02	O01	H011	109.5°	114.0°
C02	C03	C04	114.2°	109.3°
C03	C02	C13	111.0°	109.1°
C03	C02	H021	108.1°	109.6°
C02	C03	H031	108.3°	109.5°
C02	C03	H032	108.3°	109.5°
C03	C04	N05	115.3°	109.5°
C04	C03	H031	108.3°	109.5°
C04	C03	H032	108.3°	109.6°
C03	C04	H041	108.0°	109.5°
C03	C04	H042	108.0°	109.4°
C04	N05	C06	114.0°	111.0°
C04	N05	C12	109.4°	111.2°
N05	C04	H041	108.0°	109.5°
N05	C04	H042	108.0°	109.5°
C06	C07	C08	124.8°	122.5°
C07	C06	N05	115.4°	109.5°
C06	C07	C11	126.1°	122.5°
C07	C06	H061	108.0°	109.5°
C07	C06	H062	108.0°	109.5°
C07	C08	C09	110.0°	114.9°
C08	C07	C11	109.1°	115.0°
C07	C08	H081	125.0°	122.6°
C08	C09	S10	109.9°	109.6°
C09	C08	H081	125.0°	122.5°
C08	C09	H091	125.1°	125.3°
C09	S10	C11	100.5°	91.0°
S10	C09	H091	125.0°	125.2°
S10	C11	C07	110.5°	109.6°
S10	C11	H111	124.7°	125.2°
C06	N05	C12	109.6°	111.0°
N05	C06	H061	108.0°	109.4°
N05	C06	H062	108.0°	109.5°
N05	C12	C13	113.5°	109.5°
N05	C12	H121	108.5°	109.5°
N05	C12	H122	108.5°	109.5°
C12	C13	C02	112.9°	109.3°
C12	C13	H131	108.6°	109.5°
C12	C13	H132	108.6°	109.5°
C13	C12	H121	108.4°	109.4°
C13	C12	H122	108.5°	109.4°
C02	C13	H131	108.6°	109.5°
C02	C13	H132	108.6°	109.5°
C13	C02	H021	108.0°	109.6°
C07	C11	H111	124.7°	125.2°
H131	C13	H132	109.5°	109.5°
H031	C03	H032	109.4°	109.5°
H041	C04	H042	109.5°	109.5°
H061	C06	H062	109.5°	109.5°
H121	C12	H122	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	C13	123.8°	119.9°
O01	C02	C03	H021	117.9°	120.1°
O01	C02	C03	C04	75.7°	62.2°
O01	C02	C13	C12	70.7°	62.2°
O01	C02	C13	H021	119.3°	120.1°
O01	C02	C13	H131	49.8°	177.8°
O01	C02	C13	H132	168.8°	57.7°
O01	C02	C03	H031	45.0°	57.7°
O01	C02	C03	H032	163.6°	177.7°
C02	C03	C04	H031	120.7°	119.9°
C02	C03	C04	H032	120.7°	120.0°
C02	C03	C04	N05	48.5°	59.2°
C03	C02	C13	C12	51.6°	57.7°
C03	C02	C13	H021	118.3°	120.0°
C03	C02	C13	H131	172.2°	62.3°
C03	C02	C13	H132	68.9°	177.6°
C02	C03	H031	H032	117.9°	120.1°
C02	C03	C04	H041	72.3°	60.8°
C02	C03	C04	H042	169.4°	179.2°
C03	C02	O01	H011	180.0°	60.3°
C03	C04	N05	H041	120.8°	120.0°
C03	C04	N05	H042	120.9°	119.9°
C03	C04	N05	C06	172.0°	174.1°
C03	C04	N05	C12	48.8°	61.8°
C04	C03	C02	C13	48.1°	57.7°
C04	C03	C02	H021	166.4°	177.7°
C04	C03	H031	H032	117.8°	120.2°
C03	C04	H041	H042	117.3°	119.9°
C04	N05	C06	C07	45.0°	65.8°
C04	N05	C06	C12	123.1°	124.2°
C04	N05	C12	C13	52.1°	61.8°
N05	C04	C03	H031	169.3°	179.1°
N05	C04	C03	H032	72.2°	60.8°
N05	C04	H041	H042	117.3°	120.0°
C04	N05	C06	H061	75.9°	54.2°
C04	N05	C06	H062	165.9°	174.2°
C04	N05	C12	H121	68.5°	178.3°
C04	N05	C12	H122	172.7°	58.3°
C06	C07	C08	C11	180.0°	179.7°
C06	C07	C08	C09	179.6°	180.0°
C06	C07	C11	S10	179.8°	179.9°
C07	C06	N05	H061	120.9°	120.0°
C07	C06	N05	H062	120.9°	120.0°
C07	C06	N05	C12	168.0°	170.0°
C07	C06	H061	H062	117.3°	120.0°
C06	C07	C08	H081	0.4°	0.0°
C06	C07	C11	H111	0.2°	0.0°
C07	C08	C09	H081	180.0°	180.0°
C07	C08	C09	S10	0.4°	0.0°
C08	C07	C11	S10	0.2°	0.4°
C08	C07	C06	N05	126.8°	89.7°
C08	C07	C06	H061	6.0°	30.2°
C08	C07	C06	H062	112.3°	150.3°
C07	C08	C09	H091	179.7°	180.0°
C08	C07	C11	H111	179.8°	179.7°
C08	C09	S10	H091	180.0°	180.0°
C08	C09	S10	C11	0.2°	0.1°
C09	C08	C07	C11	0.3°	0.3°
C09	S10	C11	C07	0.0°	0.3°
S10	C09	C08	H081	179.6°	180.0°
C09	S10	C11	H111	180.0°	179.8°
S10	C11	C07	H111	180.0°	179.9°
C11	S10	C09	H091	179.8°	179.8°
C06	N05	C12	C13	177.9°	174.1°
N05	C06	C07	C11	53.1°	90.0°
C06	N05	C04	H041	51.2°	65.9°
C06	N05	C04	H042	67.1°	54.2°
N05	C06	H061	H062	117.3°	120.0°
C06	N05	C12	H121	57.3°	54.1°
C06	N05	C12	H122	61.5°	65.8°
N05	C12	C13	H121	120.6°	120.0°
N05	C12	C13	H122	120.6°	120.1°
N05	C12	C13	C02	55.6°	59.2°
N05	C12	C13	H131	176.2°	60.8°
N05	C12	C13	H132	64.9°	179.2°
C12	N05	C04	H041	72.0°	58.3°
C12	N05	C04	H042	169.7°	178.3°
C12	N05	C06	H061	47.2°	70.0°
C12	N05	C06	H062	71.1°	50.0°
N05	C12	H121	H122	118.2°	120.0°
C12	C13	C02	H131	120.5°	120.0°
C12	C13	C02	H132	120.5°	120.0°
C12	C13	H131	H132	118.4°	120.1°
C12	C13	C02	H021	170.0°	177.6°
C13	C12	H121	H122	118.1°	119.9°
C02	C13	H131	H132	118.4°	120.1°
C13	C02	C03	H031	168.8°	177.6°
C13	C02	C03	H032	72.6°	62.4°
C02	C13	C12	H121	65.0°	179.2°
C02	C13	C12	H122	176.3°	60.9°
C13	C02	O01	H011	56.7°	180.0°
C11	C07	C06	H061	174.0°	150.1°
C11	C07	C06	H062	67.8°	30.0°
C11	C07	C08	H081	179.7°	179.8°
H131	C13	C02	H021	69.5°	57.7°
H131	C13	C12	H121	55.6°	59.3°
H131	C13	C12	H122	63.2°	179.2°
H132	C13	C02	H021	49.5°	62.4°
H132	C13	C12	H121	174.5°	60.8°
H132	C13	C12	H122	55.8°	59.1°
H021	C02	C03	H031	72.9°	62.4°
H021	C02	C03	H032	45.7°	57.6°
H021	C02	O01	H011	62.4°	59.8°
H031	C03	C04	H041	48.4°	59.1°
H031	C03	C04	H042	69.9°	60.9°
H032	C03	C04	H041	167.0°	179.2°
H032	C03	C04	H042	48.7°	59.2°
H081	C08	C09	H091	0.3°	0.0°

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