O2Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F20	C16	sing	1.35Å	1.36Å
C16	C17	doub	1.38Å	1.37Å	Aromatic
C16	C15	sing	1.39Å	1.37Å	Aromatic
C17	C18	sing	1.38Å	1.38Å	Aromatic
F21	C15	sing	1.35Å	1.35Å
C15	C14	doub	1.38Å	1.37Å	Aromatic
C18	C13	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.51Å	1.52Å
C10	C9	sing	1.51Å	1.48Å
C12	N11	sing	1.46Å	1.48Å
C9	N1	sing	1.35Å	1.37Å	Aromatic
C9	N8	doub	1.31Å	1.31Å	Aromatic
N6	N1	sing	1.40Å	1.35Å	Aromatic
N6	C5	doub	1.31Å	1.29Å	Aromatic
N11	C5	sing	1.39Å	1.38Å
N11	C19	sing	1.46Å	1.46Å
N1	C2	sing	1.37Å	1.38Å	Aromatic
N8	N7	sing	1.29Å	1.39Å	Aromatic
C5	C4	sing	1.41Å	1.43Å	Aromatic
C2	N7	doub	1.32Å	1.32Å	Aromatic
C2	C3	sing	1.41Å	1.42Å	Aromatic
C4	C3	doub	1.36Å	1.36Å	Aromatic
C4	H23	sing	1.08Å	1.08Å
C10	H26	sing	1.09Å	1.10Å
C10	H24	sing	1.09Å	1.10Å
C10	H25	sing	1.09Å	1.10Å
C17	H30	sing	1.08Å	1.08Å
C12	H28	sing	1.09Å	1.10Å
C12	H27	sing	1.09Å	1.10Å
C14	H29	sing	1.08Å	1.08Å
C18	H31	sing	1.08Å	1.08Å
C19	H32	sing	1.09Å	1.10Å
C19	H33	sing	1.09Å	1.10Å
C19	H34	sing	1.09Å	1.10Å
C3	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F20	C16	C17	120.0°	120.0°
F20	C16	C15	119.0°	120.1°
C17	C16	C15	120.6°	119.9°
C16	C17	C18	118.7°	120.0°
C16	C17	H30	120.6°	120.0°
C16	C15	F21	118.9°	120.0°
C16	C15	C14	121.2°	119.9°
C17	C18	C13	121.2°	120.1°
C18	C17	H30	120.7°	120.1°
C17	C18	H31	119.4°	119.9°
F21	C15	C14	119.8°	120.0°
C15	C14	C13	119.2°	120.0°
C15	C14	H29	120.4°	119.9°
C18	C13	C14	118.6°	120.1°
C18	C13	C12	121.0°	120.0°
C13	C18	H31	119.4°	120.0°
C14	C13	C12	120.2°	120.0°
C13	C14	H29	120.4°	120.0°
C13	C12	N11	112.6°	109.5°
C13	C12	H28	108.7°	109.4°
C13	C12	H27	108.7°	109.4°
C10	C9	N1	123.7°	126.2°
C10	C9	N8	127.3°	126.1°
C9	C10	H26	109.5°	109.5°
C9	C10	H24	109.4°	109.5°
C9	C10	H25	109.5°	109.5°
C12	N11	C5	120.7°	120.0°
C12	N11	C19	116.7°	120.0°
N11	C12	H28	108.7°	109.5°
N11	C12	H27	108.7°	109.5°
N1	C9	N8	108.9°	107.7°
C9	N1	N6	126.7°	133.9°
C9	N1	C2	106.2°	106.0°
C9	N8	N7	108.5°	110.1°
N1	N6	C5	114.6°	120.5°
N6	N1	C2	127.0°	120.0°
N6	C5	N11	112.0°	119.6°
N6	C5	C4	124.9°	120.8°
C5	N11	C19	122.3°	120.0°
N11	C5	C4	122.9°	119.6°
N11	C19	H32	109.5°	109.5°
N11	C19	H33	109.5°	109.5°
N11	C19	H34	109.5°	109.5°
N1	C2	N7	109.1°	106.8°
N1	C2	C3	116.3°	119.4°
N8	N7	C2	107.2°	109.3°
C5	C4	C3	118.9°	120.1°
C5	C4	H23	120.5°	120.0°
N7	C2	C3	134.4°	133.8°
C2	C3	C4	118.1°	119.1°
C2	C3	H22	121.0°	120.4°
C3	C4	H23	120.6°	119.9°
C4	C3	H22	121.0°	120.5°
H26	C10	H24	109.4°	109.5°
H26	C10	H25	109.5°	109.5°
H24	C10	H25	109.5°	109.5°
H28	C12	H27	109.5°	109.4°
H32	C19	H33	109.5°	109.4°
H32	C19	H34	109.5°	109.4°
H33	C19	H34	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F20	C16	C17	C15	172.7°	179.7°
F20	C16	C17	C18	178.3°	180.0°
F20	C16	C15	F21	3.7°	0.1°
F20	C16	C15	C14	179.5°	180.0°
F20	C16	C17	H30	1.7°	0.1°
C16	C17	C18	H30	180.0°	179.9°
C17	C16	C15	F21	176.5°	179.7°
C17	C16	C15	C14	6.8°	0.3°
C16	C17	C18	C13	4.7°	0.1°
C16	C17	C18	H31	175.3°	180.0°
C15	C16	C17	C18	5.6°	0.3°
C16	C15	F21	C14	176.8°	180.0°
C16	C15	C14	C13	6.7°	0.0°
C15	C16	C17	H30	174.4°	179.8°
C16	C15	C14	H29	173.3°	179.9°
C17	C18	C13	H31	180.0°	180.0°
C17	C18	C13	C14	4.7°	0.2°
C17	C18	C13	C12	179.4°	180.0°
F21	C15	C14	C13	176.6°	180.0°
F21	C15	C14	H29	3.4°	0.1°
C15	C14	C13	C18	5.6°	0.3°
C15	C14	C13	H29	180.0°	179.9°
C15	C14	C13	C12	179.7°	180.0°
C18	C13	C14	C12	174.8°	179.8°
C18	C13	C12	N11	138.0°	90.2°
C13	C18	C17	H30	175.3°	180.0°
C18	C13	C12	H28	101.5°	29.8°
C18	C13	C12	H27	17.5°	149.7°
C18	C13	C14	H29	174.4°	179.8°
C14	C13	C12	N11	36.6°	90.0°
C14	C13	C12	H28	83.9°	150.0°
C14	C13	C12	H27	157.1°	30.1°
C14	C13	C18	H31	175.3°	179.7°
C13	C12	N11	H28	120.5°	120.0°
C13	C12	N11	H27	120.5°	120.0°
C13	C12	N11	C5	67.6°	90.0°
C13	C12	N11	C19	106.2°	90.0°
C13	C12	H28	H27	118.5°	119.9°
C12	C13	C14	H29	0.3°	0.0°
C12	C13	C18	H31	0.6°	0.0°
C10	C9	N1	N8	177.0°	180.0°
C10	C9	N1	N6	3.0°	0.3°
C10	C9	N1	C2	179.7°	180.0°
C10	C9	N8	N7	178.4°	180.0°
C9	C10	H26	H24	120.0°	120.0°
C9	C10	H26	H25	120.0°	120.0°
C9	C10	H24	H25	120.0°	120.0°
C12	N11	C5	N6	6.9°	0.6°
C12	N11	C5	C19	173.4°	180.0°
C12	N11	C5	C4	175.7°	180.0°
N11	C12	H28	H27	118.6°	120.1°
C12	N11	C19	H32	180.0°	90.0°
C12	N11	C19	H33	60.0°	150.0°
C12	N11	C19	H34	60.0°	30.0°
C9	N1	N6	C2	176.0°	179.7°
C9	N1	N6	C5	179.2°	179.7°
N1	C9	N8	N7	1.5°	0.0°
C9	N1	C2	N7	3.9°	0.0°
C9	N1	C2	C3	179.4°	180.0°
N1	C9	C10	H26	176.5°	90.0°
N1	C9	C10	H24	63.6°	150.0°
N1	C9	C10	H25	56.4°	30.0°
N8	C9	N1	N6	180.0°	179.7°
N8	C9	N1	C2	3.3°	0.0°
C9	N8	N7	C2	1.0°	0.0°
N8	C9	C10	H26	0.0°	90.0°
N8	C9	C10	H24	120.0°	30.0°
N8	C9	C10	H25	120.0°	150.0°
N1	N6	C5	N11	179.5°	179.8°
N1	N6	C5	C4	3.2°	0.4°
N6	N1	C2	N7	179.4°	179.8°
N6	N1	C2	C3	4.0°	0.2°
N6	C5	N11	C4	177.4°	179.4°
N6	C5	N11	C19	179.6°	179.4°
C5	N6	N1	C2	4.8°	0.0°
N6	C5	C4	C3	1.2°	0.6°
N6	C5	C4	H23	178.8°	179.8°
N11	C5	C4	C3	178.2°	180.0°
N11	C5	C4	H23	1.8°	0.4°
C5	N11	C12	H28	172.0°	30.0°
C5	N11	C12	H27	52.9°	150.0°
C5	N11	C19	H32	6.4°	90.0°
C5	N11	C19	H33	113.7°	30.0°
C5	N11	C19	H34	126.4°	150.0°
C19	N11	C5	C4	2.3°	0.0°
C19	N11	C12	H28	14.3°	150.0°
C19	N11	C12	H27	133.3°	30.0°
N11	C19	H32	H33	120.0°	120.0°
N11	C19	H32	H34	120.0°	120.0°
N11	C19	H33	H34	120.0°	120.1°
N1	C2	N7	N8	3.1°	0.0°
N1	C2	N7	C3	174.3°	180.0°
N1	C2	C3	C4	1.4°	0.0°
N1	C2	C3	H22	178.6°	180.0°
N8	N7	C2	C3	177.3°	180.0°
C5	C4	C3	C2	0.2°	0.4°
C5	C4	C3	H23	180.0°	179.6°
C5	C4	C3	H22	179.8°	179.6°
N7	C2	C3	C4	175.4°	180.0°
N7	C2	C3	H22	4.6°	0.0°
C2	C3	C4	H22	180.0°	180.0°
C2	C3	C4	H23	179.8°	180.0°
H23	C4	C3	H22	0.2°	0.0°
H26	C10	H24	H25	120.0°	120.0°
H30	C17	C18	H31	4.7°	0.1°
H32	C19	H33	H34	120.0°	120.0°

Release date:	2020-07-08
Definition date:	2020-01-21
Last modified:	2020-07-03
Release status:	REL
Processing site:	PDBE
Derived from:	6XV7