Q0Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.39Å	1.44Å
N03	C02	doub	1.33Å	1.34Å	Aromatic
N03	C04	sing	1.32Å	1.33Å	Aromatic
C02	C07	sing	1.39Å	1.41Å	Aromatic
C04	N05	doub	1.32Å	1.31Å	Aromatic
C07	CL1	sing	1.74Å	1.74Å
C07	C06	doub	1.39Å	1.43Å	Aromatic
N05	C06	sing	1.33Å	1.34Å	Aromatic
C06	C09	sing	1.48Å	1.53Å
C09	C21	sing	1.41Å	1.39Å	Aromatic
C09	C10	doub	1.37Å	1.38Å	Aromatic
C21	N20	doub	1.31Å	1.37Å	Aromatic
C10	N11	sing	1.35Å	1.33Å	Aromatic
N20	N11	sing	1.40Å	1.35Å	Aromatic
N11	C12	sing	1.46Å	1.45Å
C17	C18	doub	1.38Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.40Å	Aromatic
C18	C13	sing	1.38Å	1.41Å	Aromatic
C16	C15	doub	1.38Å	1.40Å	Aromatic
C13	C12	sing	1.51Å	1.55Å
C13	C14	doub	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.39Å	1.40Å	Aromatic
C15	F19	sing	1.35Å	1.33Å
C10	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
N01	H4	sing	0.97Å	1.00Å
N01	H5	sing	0.97Å	1.00Å
C04	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	N03	119.0°	120.5°
N01	C02	C07	120.7°	120.5°
C02	N01	H4	109.5°	120.0°
C02	N01	H5	109.5°	120.0°
C02	N03	C04	120.8°	120.9°
N03	C02	C07	120.3°	119.1°
N03	C04	N05	120.8°	122.0°
N03	C04	H6	119.6°	118.9°
C02	C07	CL1	119.6°	120.9°
C02	C07	C06	116.7°	118.2°
C04	N05	C06	123.5°	120.9°
N05	C04	H6	119.6°	119.1°
CL1	C07	C06	123.6°	120.9°
C07	C06	N05	117.8°	118.9°
C07	C06	C09	124.0°	120.6°
N05	C06	C09	118.2°	120.5°
C06	C09	C21	124.2°	126.2°
C06	C09	C10	127.9°	126.3°
C21	C09	C10	107.8°	107.5°
C09	C21	N20	106.7°	108.1°
C09	C21	H3	126.7°	126.0°
C09	C10	N11	106.9°	107.6°
C09	C10	H1	126.6°	126.2°
C21	N20	N11	107.8°	108.5°
N20	C21	H3	126.6°	125.9°
C10	N11	N20	110.8°	108.3°
C10	N11	C12	125.2°	125.9°
N11	C10	H1	126.6°	126.2°
N20	N11	C12	124.0°	125.8°
N11	C12	C13	104.6°	109.5°
N11	C12	H7	110.7°	109.5°
N11	C12	H8	110.7°	109.5°
C18	C17	C16	118.7°	120.0°
C17	C18	C13	121.2°	120.1°
C18	C17	H2	120.7°	120.0°
C17	C18	H11	119.4°	119.9°
C17	C16	C15	119.9°	120.0°
C16	C17	H2	120.7°	120.0°
C17	C16	H10	120.1°	120.0°
C18	C13	C12	119.1°	120.0°
C18	C13	C14	120.4°	120.0°
C13	C18	H11	119.4°	120.0°
C16	C15	C14	121.8°	119.9°
C16	C15	F19	118.6°	120.0°
C15	C16	H10	120.1°	120.0°
C12	C13	C14	120.5°	120.0°
C13	C12	H7	110.7°	109.5°
C13	C12	H8	110.7°	109.4°
C13	C14	C15	118.1°	120.0°
C13	C14	H9	121.0°	120.1°
C14	C15	F19	119.6°	120.0°
C15	C14	H9	120.9°	120.0°
H4	N01	H5	109.5°	120.0°
H7	C12	H8	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	N03	C07	178.0°	179.7°
N01	C02	N03	C04	179.4°	180.0°
N01	C02	C07	CL1	1.7°	0.0°
N01	C02	C07	C06	179.9°	179.8°
C02	N01	H4	H5	120.0°	180.0°
C02	N03	C04	N05	2.5°	0.0°
N03	C02	C07	CL1	179.6°	179.7°
N03	C02	C07	C06	2.0°	0.6°
N03	C02	N01	H4	0.0°	179.7°
N03	C02	N01	H5	120.0°	0.3°
C02	N03	C04	H6	177.4°	179.9°
C04	N03	C02	C07	2.7°	0.3°
N03	C04	N05	H6	180.0°	180.0°
N03	C04	N05	C06	1.8°	0.0°
C02	C07	CL1	C06	178.2°	179.8°
C02	C07	C06	N05	1.2°	0.5°
C02	C07	C06	C09	179.0°	179.7°
C07	C02	N01	H4	178.0°	0.0°
C07	C02	N01	H5	58.0°	180.0°
C04	N05	C06	C07	1.2°	0.3°
C04	N05	C06	C09	179.0°	180.0°
CL1	C07	C06	N05	179.5°	179.7°
CL1	C07	C06	C09	0.7°	0.0°
C07	C06	N05	C09	179.8°	179.8°
C07	C06	C09	C21	165.7°	34.8°
C07	C06	C09	C10	16.5°	145.3°
N05	C06	C09	C21	14.1°	145.0°
N05	C06	C09	C10	163.7°	35.0°
C06	N05	C04	H6	178.2°	180.0°
C06	C09	C21	C10	178.2°	180.0°
C06	C09	C21	N20	179.4°	179.7°
C06	C09	C10	N11	179.2°	179.9°
C06	C09	C10	H1	0.7°	0.3°
C06	C09	C21	H3	0.6°	0.2°
C09	C21	N20	H3	180.0°	179.5°
C21	C09	C10	N11	1.2°	0.0°
C09	C21	N20	N11	0.9°	0.4°
C21	C09	C10	H1	178.8°	179.7°
C10	C09	C21	N20	1.3°	0.3°
C09	C10	N11	H1	180.0°	179.7°
C09	C10	N11	N20	0.6°	0.2°
C09	C10	N11	C12	178.4°	179.8°
C10	C09	C21	H3	178.7°	179.8°
C21	N20	N11	C10	0.1°	0.4°
C21	N20	N11	C12	179.2°	179.6°
C10	N11	N20	C12	179.1°	180.0°
C10	N11	C12	C13	88.3°	125.0°
C10	N11	C12	H7	152.5°	5.0°
C10	N11	C12	H8	31.0°	115.0°
N20	N11	C12	C13	90.7°	55.0°
N20	N11	C10	H1	179.3°	180.0°
N11	N20	C21	H3	179.1°	179.9°
N20	N11	C12	H7	28.5°	175.0°
N20	N11	C12	H8	150.1°	65.0°
N11	C12	C13	C18	82.2°	90.2°
N11	C12	C13	H7	119.3°	120.1°
N11	C12	C13	H8	119.2°	120.0°
N11	C12	C13	C14	96.5°	90.0°
C12	N11	C10	H1	1.6°	0.0°
N11	C12	H7	H8	122.3°	120.0°
C18	C17	C16	H2	180.0°	179.9°
C17	C18	C13	H11	180.0°	179.9°
C18	C17	C16	C15	0.3°	0.3°
C17	C18	C13	C12	179.2°	180.0°
C17	C18	C13	C14	0.4°	0.2°
C18	C17	C16	H10	179.7°	179.9°
C16	C17	C18	C13	0.0°	0.1°
C17	C16	C15	H10	180.0°	179.8°
C17	C16	C15	C14	0.2°	0.3°
C17	C16	C15	F19	179.6°	179.8°
C16	C17	C18	H11	179.9°	180.0°
C18	C13	C12	C14	178.8°	179.8°
C18	C13	C14	C15	0.5°	0.2°
C13	C18	C17	H2	180.0°	180.0°
C18	C13	C12	H7	158.5°	29.8°
C18	C13	C12	H8	37.0°	149.7°
C18	C13	C14	H9	179.5°	179.8°
C16	C15	C14	C13	0.2°	0.0°
C16	C15	C14	F19	179.4°	180.0°
C15	C16	C17	H2	179.7°	179.8°
C16	C15	C14	H9	179.8°	180.0°
C12	C13	C14	C15	179.3°	180.0°
C13	C12	H7	H8	122.3°	119.9°
C12	C13	C14	H9	0.7°	0.1°
C12	C13	C18	H11	0.8°	0.1°
C13	C14	C15	H9	180.0°	180.0°
C13	C14	C15	F19	179.2°	180.0°
C14	C13	C12	H7	22.7°	150.0°
C14	C13	C12	H8	144.3°	30.1°
C14	C13	C18	H11	179.5°	179.7°
C14	C15	C16	H10	179.8°	180.0°
F19	C15	C14	H9	0.8°	0.0°
F19	C15	C16	H10	0.4°	0.0°
H2	C17	C16	H10	0.3°	0.0°
H2	C17	C18	H11	0.0°	0.1°

Release date:	2021-05-12
Definition date:	2020-05-04
Last modified:	2021-05-07
Release status:	REL
Processing site:	PDBE
Derived from:	6YYC