QBZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O08	C07	doub	1.21Å	1.25Å
O09	C07	sing	1.34Å	1.24Å
C13	N12	sing	1.35Å	1.39Å	Aromatic
C13	C14	doub	1.35Å	1.40Å	Aromatic
C07	C06	sing	1.51Å	1.57Å
C11	N12	sing	1.46Å	1.58Å
C11	C10	sing	1.53Å	1.55Å
N12	N16	sing	1.29Å	1.33Å	Aromatic
C14	N15	sing	1.34Å	1.37Å	Aromatic
C20	C10	sing	1.53Å	1.49Å
C10	C06	sing	1.53Å	1.53Å
C10	S17	sing	1.81Å	1.83Å
C06	N05	sing	1.46Å	1.47Å
N16	N15	doub	1.29Å	1.28Å	Aromatic
N05	C04	doub	1.28Å	1.29Å
O19	S17	doub	1.51Å	1.50Å
C04	C03	sing	1.51Å	1.50Å
S17	O18	doub	1.51Å	1.46Å
O01	C02	doub	1.21Å	1.21Å
C03	C02	sing	1.51Å	1.52Å
C20	H201	sing	1.09Å	1.10Å
C20	H203	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C14	H141	sing	1.08Å	1.08Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C04	H041	sing	1.08Å	1.08Å
C06	H061	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C13	H131	sing	1.08Å	1.08Å
O09	H2	sing	0.97Å	0.95Å
C02	O1	sing	1.34Å	14.78Å
O1	H1	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O08	C07	O09	126.8°	120.0°
O08	C07	C06	114.7°	120.0°
O09	C07	C06	118.4°	120.0°
C07	O09	H2	109.5°	117.0°
N12	C13	C14	104.5°	106.2°
C13	N12	C11	126.7°	125.9°
C13	N12	N16	107.7°	108.2°
N12	C13	H131	127.8°	126.9°
C13	C14	N15	107.4°	106.6°
C13	C14	H141	126.3°	126.7°
C14	C13	H131	127.7°	126.9°
C07	C06	C10	109.7°	109.5°
C07	C06	N05	108.3°	109.5°
C07	C06	H061	108.3°	109.5°
N12	C11	C10	114.6°	109.5°
C11	N12	N16	125.6°	125.9°
N12	C11	H112	108.2°	109.5°
N12	C11	H111	108.2°	109.5°
C11	C10	C20	110.1°	109.5°
C11	C10	C06	109.2°	109.5°
C11	C10	S17	111.1°	109.5°
C10	C11	H112	108.2°	109.5°
C10	C11	H111	108.2°	109.5°
N12	N16	N15	111.6°	110.2°
C14	N15	N16	108.7°	108.8°
N15	C14	H141	126.3°	126.7°
C20	C10	C06	110.8°	109.5°
C20	C10	S17	108.4°	109.4°
C10	C20	H201	109.5°	109.5°
C10	C20	H203	109.4°	109.5°
C10	C20	H202	109.5°	109.5°
C06	C10	S17	107.2°	109.5°
C10	C06	N05	111.7°	109.5°
C10	C06	H061	109.0°	109.5°
C10	S17	O19	103.0°	120.0°
C10	S17	O18	102.0°	120.0°
C06	N05	C04	118.3°	120.0°
N05	C06	H061	109.7°	109.5°
N05	C04	C03	119.3°	120.0°
N05	C04	H041	120.4°	120.0°
O19	S17	O18	111.5°	120.0°
C04	C03	C02	113.1°	109.5°
C04	C03	H031	108.6°	109.5°
C04	C03	H032	108.5°	109.5°
C03	C04	H041	120.3°	120.0°
O01	C02	C03	125.0°	120.0°
O01	C02	O1	52.3°	120.0°
C02	C03	H031	108.6°	109.5°
C02	C03	H032	108.6°	109.5°
C03	C02	O1	74.4°	120.0°
H201	C20	H203	109.5°	109.5°
H201	C20	H202	109.4°	109.4°
H203	C20	H202	109.5°	109.5°
H031	C03	H032	109.5°	109.4°
H112	C11	H111	109.5°	109.4°
C02	O1	H1	90.0°	116.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O08	C07	O09	C06	176.7°	180.0°
O08	C07	C06	C10	81.9°	93.9°
O08	C07	C06	N05	155.9°	26.1°
O08	C07	C06	H061	36.9°	146.1°
O08	C07	O09	H2	0.0°	0.0°
O09	C07	C06	C10	95.2°	86.1°
O09	C07	C06	N05	27.0°	153.9°
O09	C07	C06	H061	146.0°	33.9°
N12	C13	C14	H131	180.0°	179.7°
C13	N12	C11	N16	178.6°	179.6°
C13	N12	C11	C10	127.7°	125.0°
N12	C13	C14	N15	2.1°	0.4°
C13	N12	N16	N15	0.7°	0.2°
N12	C13	C14	H141	177.9°	179.9°
C13	N12	C11	H112	111.5°	5.0°
C13	N12	C11	H111	6.9°	115.0°
C14	C13	N12	C11	179.4°	180.0°
C14	C13	N12	N16	1.7°	0.4°
C13	C14	N15	H141	180.0°	179.8°
C13	C14	N15	N16	1.8°	0.3°
C07	C06	C10	C11	57.4°	56.0°
C07	C06	C10	C20	64.0°	176.0°
C07	C06	C10	N05	120.2°	120.0°
C07	C06	C10	H061	118.4°	120.0°
C07	C06	C10	S17	177.9°	64.0°
C07	C06	N05	H061	118.1°	120.0°
C07	C06	N05	C04	60.1°	120.0°
C06	C07	O09	H2	176.7°	180.0°
N12	C11	C10	H112	120.7°	120.0°
N12	C11	C10	H111	120.8°	120.0°
N12	C11	C10	C20	170.5°	58.2°
N12	C11	C10	C06	67.6°	178.3°
N12	C11	C10	S17	50.5°	61.7°
C11	N12	N16	N15	179.5°	179.8°
N12	C11	H112	H111	117.6°	120.0°
C11	N12	C13	H131	0.5°	0.4°
C10	C11	N12	N16	50.9°	55.4°
C11	C10	C20	C06	121.0°	120.0°
C11	C10	C20	S17	121.7°	120.0°
C11	C10	C06	S17	120.4°	120.0°
C11	C10	C06	N05	177.6°	64.0°
C11	C10	S17	O19	47.9°	180.0°
C11	C10	S17	O18	163.6°	0.1°
C11	C10	C20	H201	180.0°	180.0°
C11	C10	C20	H203	60.0°	60.0°
C11	C10	C20	H202	60.0°	60.1°
C11	C10	C06	H061	61.0°	176.0°
C10	C11	H112	H111	117.6°	120.0°
N12	N16	N15	C14	0.7°	0.0°
N16	N12	C11	H112	69.9°	175.4°
N16	N12	C11	H111	171.7°	64.6°
N16	N12	C13	H131	178.3°	180.0°
N15	C14	C13	H131	177.9°	180.0°
C20	C10	C06	S17	118.1°	120.0°
C20	C10	C06	N05	56.1°	56.0°
C20	C10	S17	O19	73.2°	60.0°
C20	C10	S17	O18	42.5°	120.0°
C10	C20	H201	H203	120.0°	120.0°
C10	C20	H201	H202	120.0°	120.0°
C10	C20	H203	H202	120.0°	120.0°
C20	C10	C06	H061	177.5°	64.0°
C20	C10	C11	H112	49.8°	178.3°
C20	C10	C11	H111	68.7°	61.8°
C10	C06	N05	H061	121.0°	120.0°
C10	C06	N05	C04	178.9°	120.0°
C06	C10	S17	O19	167.1°	60.0°
C06	C10	S17	O18	77.2°	120.0°
C06	C10	C20	H201	59.0°	60.0°
C06	C10	C20	H203	179.0°	180.0°
C06	C10	C20	H202	61.0°	60.0°
C06	C10	C11	H112	171.7°	61.7°
C06	C10	C11	H111	53.2°	58.3°
S17	C10	C06	N05	61.9°	176.0°
C10	S17	O19	O18	108.6°	179.9°
S17	C10	C20	H201	58.4°	60.0°
S17	C10	C20	H203	61.7°	60.0°
S17	C10	C20	H202	178.3°	180.0°
S17	C10	C06	H061	59.5°	56.0°
S17	C10	C11	H112	70.3°	58.3°
S17	C10	C11	H111	171.3°	178.3°
C06	N05	C04	C03	179.4°	180.0°
C06	N05	C04	H041	0.6°	0.0°
N16	N15	C14	H141	178.2°	180.0°
N05	C04	C03	H041	180.0°	180.0°
N05	C04	C03	C02	177.7°	125.0°
N05	C04	C03	H031	57.1°	5.0°
N05	C04	C03	H032	61.8°	115.0°
C04	N05	C06	H061	57.9°	0.0°
C04	C03	C02	O01	8.2°	0.0°
C04	C03	C02	H031	120.6°	120.0°
C04	C03	C02	H032	120.5°	120.0°
C04	C03	H031	H032	118.3°	120.0°
C04	C03	C02	O1	22.1°	180.0°
O01	C02	C03	O1	13.9°	179.9°
O01	C02	C03	H031	128.8°	120.1°
O01	C02	C03	H032	112.3°	120.0°
O01	C02	O1	H1	90.0°	0.0°
C02	C03	H031	H032	118.4°	120.0°
C02	C03	C04	H041	2.4°	55.0°
C03	C02	O1	H1	90.0°	179.9°
H201	C20	H203	H202	120.0°	119.9°
H141	C14	C13	H131	2.1°	0.2°
H031	C03	C04	H041	122.9°	175.0°
H031	C03	C02	O1	142.7°	60.0°
H032	C03	C04	H041	118.2°	65.0°
H032	C03	C02	O1	98.4°	60.0°

Release date:	2021-06-09
Definition date:	2020-06-04
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	6Z7K