P5Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.39Å	1.43Å	Aromatic
C2	C3	sing	1.36Å	1.33Å	Aromatic
C1	C4	sing	1.36Å	1.38Å	Aromatic
C1	CL5	sing	1.74Å	1.73Å
C4	C6	doub	1.40Å	1.42Å	Aromatic
C3	C7	doub	1.40Å	1.43Å	Aromatic
C6	C7	sing	1.42Å	1.41Å	Aromatic
C7	N8	sing	1.34Å	1.38Å	Aromatic
N8	C9	doub	1.31Å	1.32Å	Aromatic
C9	C10	sing	1.41Å	1.43Å	Aromatic
C6	C11	sing	1.41Å	1.43Å	Aromatic
C10	C11	doub	1.40Å	1.36Å	Aromatic
C11	O12	sing	1.35Å	1.39Å
C10	C13	sing	1.47Å	1.47Å
C13	O14	sing	1.35Å	1.32Å
C13	O15	doub	1.21Å	1.25Å
C9	C16	sing	1.51Å	1.50Å
O12	C17	sing	1.36Å	1.40Å
C17	C18	doub	1.39Å	1.40Å	Aromatic
C18	C19	sing	1.38Å	1.42Å	Aromatic
C19	C20	doub	1.38Å	1.37Å	Aromatic
C20	C21	sing	1.38Å	1.38Å	Aromatic
C17	C22	sing	1.39Å	1.40Å	Aromatic
C21	C22	doub	1.38Å	1.42Å	Aromatic
C18	CL23	sing	1.74Å	1.72Å
C2	H24	sing	1.08Å	1.08Å
C3	H25	sing	1.08Å	1.08Å
C4	H26	sing	1.08Å	1.08Å
O14	H27	sing	0.97Å	0.95Å
C16	H30	sing	1.09Å	1.10Å
C16	H28	sing	1.09Å	1.10Å
C16	H29	sing	1.09Å	1.10Å
C19	H31	sing	1.08Å	1.08Å
C20	H32	sing	1.08Å	1.08Å
C21	H33	sing	1.08Å	1.08Å
C22	H34	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	121.5°	121.1°
C2	C1	C4	119.7°	120.7°
C2	C1	CL5	121.2°	119.7°
C1	C2	H24	119.3°	119.5°
C2	C3	C7	121.3°	119.8°
C3	C2	H24	119.2°	119.5°
C2	C3	H25	119.4°	120.1°
C4	C1	CL5	119.1°	119.6°
C1	C4	C6	118.4°	119.6°
C1	C4	H26	120.8°	120.2°
C4	C6	C7	121.7°	119.7°
C4	C6	C11	121.6°	121.2°
C6	C4	H26	120.8°	120.2°
C3	C7	C6	117.2°	119.0°
C3	C7	N8	121.7°	120.7°
C7	C3	H25	119.3°	120.1°
C6	C7	N8	121.1°	120.3°
C7	C6	C11	116.6°	119.1°
C7	N8	C9	120.0°	121.9°
N8	C9	C10	123.1°	121.7°
N8	C9	C16	115.8°	119.2°
C9	C10	C11	116.7°	119.3°
C9	C10	C13	121.3°	120.4°
C10	C9	C16	121.1°	119.2°
C6	C11	C10	122.4°	117.8°
C6	C11	O12	119.6°	121.1°
C10	C11	O12	117.8°	121.1°
C11	C10	C13	121.8°	120.3°
C11	O12	C17	115.5°	118.0°
C10	C13	O14	115.1°	120.0°
C10	C13	O15	126.0°	120.0°
O14	C13	O15	118.9°	120.0°
C13	O14	H27	109.5°	117.0°
C9	C16	H30	109.5°	109.5°
C9	C16	H28	109.4°	109.5°
C9	C16	H29	109.5°	109.5°
O12	C17	C18	113.8°	120.0°
O12	C17	C22	124.3°	120.0°
C17	C18	C19	116.7°	119.9°
C18	C17	C22	121.9°	119.9°
C17	C18	CL23	122.6°	120.1°
C18	C19	C20	122.7°	120.1°
C19	C18	CL23	120.6°	120.0°
C18	C19	H31	118.7°	120.0°
C19	C20	C21	119.6°	120.1°
C20	C19	H31	118.6°	119.9°
C19	C20	H32	120.2°	120.0°
C20	C21	C22	120.2°	120.1°
C21	C20	H32	120.2°	120.0°
C20	C21	H33	119.9°	119.9°
C17	C22	C21	118.8°	119.9°
C17	C22	H34	120.6°	120.0°
C22	C21	H33	119.9°	119.9°
C21	C22	H34	120.6°	120.1°
H30	C16	H28	109.5°	109.5°
H30	C16	H29	109.4°	109.5°
H28	C16	H29	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H24	180.0°	180.0°
C2	C1	C4	CL5	179.8°	179.7°
C2	C1	C4	C6	0.4°	0.1°
C1	C2	C3	C7	2.4°	0.0°
C1	C2	C3	H25	177.6°	180.0°
C2	C1	C4	H26	179.6°	180.0°
C3	C2	C1	C4	0.6°	0.0°
C3	C2	C1	CL5	179.2°	179.7°
C2	C3	C7	H25	180.0°	180.0°
C2	C3	C7	C6	3.1°	0.0°
C2	C3	C7	N8	179.7°	180.0°
C1	C4	C6	H26	180.0°	180.0°
C1	C4	C6	C7	0.4°	0.1°
C1	C4	C6	C11	178.8°	180.0°
C4	C1	C2	H24	179.4°	180.0°
CL5	C1	C4	C6	179.8°	179.7°
CL5	C1	C2	H24	0.8°	0.3°
CL5	C1	C4	H26	0.2°	0.3°
C4	C6	C7	C3	2.1°	0.0°
C4	C6	C7	C11	178.4°	180.0°
C4	C6	C7	N8	179.3°	180.0°
C4	C6	C11	C10	178.4°	180.0°
C4	C6	C11	O12	2.6°	0.0°
C3	C7	C6	N8	177.2°	180.0°
C3	C7	N8	C9	178.7°	179.9°
C3	C7	C6	C11	179.5°	180.0°
C7	C3	C2	H24	177.6°	180.0°
C6	C7	N8	C9	1.6°	0.0°
C7	C6	C11	C10	3.2°	0.0°
C7	C6	C11	O12	179.0°	179.9°
C6	C7	C3	H25	176.9°	180.0°
C7	C6	C4	H26	179.6°	180.0°
C7	N8	C9	C10	1.7°	0.0°
N8	C7	C6	C11	2.3°	0.0°
C7	N8	C9	C16	179.6°	180.0°
N8	C7	C3	H25	0.3°	0.0°
N8	C9	C10	C16	178.6°	180.0°
N8	C9	C10	C11	2.4°	0.0°
N8	C9	C10	C13	177.5°	180.0°
N8	C9	C16	H30	0.0°	90.0°
N8	C9	C16	H28	120.0°	150.0°
N8	C9	C16	H29	120.0°	30.1°
C9	C10	C11	C6	3.2°	0.0°
C9	C10	C11	C13	175.1°	180.0°
C9	C10	C11	O12	179.1°	180.0°
C9	C10	C13	O14	68.3°	90.0°
C9	C10	C13	O15	108.4°	90.0°
C10	C9	C16	H30	178.7°	90.0°
C10	C9	C16	H28	61.3°	30.0°
C10	C9	C16	H29	58.7°	150.0°
C6	C11	C10	O12	175.9°	180.0°
C6	C11	C10	C13	178.3°	180.0°
C6	C11	O12	C17	74.7°	90.0°
C11	C6	C4	H26	1.3°	0.0°
C11	C10	C13	O14	116.9°	90.0°
C11	C10	C13	O15	66.5°	90.0°
C11	C10	C9	C16	178.9°	180.0°
C10	C11	O12	C17	101.4°	90.1°
O12	C11	C10	C13	5.8°	0.1°
C11	O12	C17	C18	147.2°	180.0°
C11	O12	C17	C22	34.3°	0.2°
C10	C13	O14	O15	176.9°	180.0°
C13	C10	C9	C16	3.8°	0.0°
C10	C13	O14	H27	177.0°	180.0°
O15	C13	O14	H27	0.0°	0.1°
C9	C16	H30	H28	120.0°	120.0°
C9	C16	H30	H29	120.0°	120.0°
C9	C16	H28	H29	120.0°	120.0°
O12	C17	C18	C22	178.5°	179.7°
O12	C17	C18	C19	177.3°	180.0°
O12	C17	C22	C21	178.2°	179.7°
O12	C17	C18	CL23	2.5°	0.0°
O12	C17	C22	H34	1.8°	0.0°
C17	C18	C19	CL23	179.7°	179.9°
C17	C18	C19	C20	0.7°	0.0°
C18	C17	C22	C21	0.2°	0.5°
C17	C18	C19	H31	179.3°	180.0°
C18	C17	C22	H34	179.9°	179.7°
C18	C19	C20	H31	180.0°	180.0°
C18	C19	C20	C21	1.0°	0.0°
C19	C18	C17	C22	1.3°	0.3°
C18	C19	C20	H32	179.0°	179.9°
C19	C20	C21	H32	180.0°	179.9°
C19	C20	C21	C22	2.1°	0.3°
C20	C19	C18	CL23	179.6°	179.9°
C19	C20	C21	H33	177.9°	180.0°
C20	C21	C22	C17	1.6°	0.5°
C20	C21	C22	H33	180.0°	179.7°
C21	C20	C19	H31	179.0°	180.0°
C20	C21	C22	H34	178.4°	179.7°
C17	C22	C21	H34	180.0°	179.7°
C22	C17	C18	CL23	179.0°	179.8°
C17	C22	C21	H33	178.5°	179.8°
C22	C21	C20	H32	177.9°	179.8°
CL23	C18	C19	H31	0.4°	0.0°
H24	C2	C3	H25	2.3°	0.0°
H30	C16	H28	H29	120.0°	120.0°
H31	C19	C20	H32	1.0°	0.1°
H32	C20	C21	H33	2.1°	0.1°
H33	C21	C22	H34	1.6°	0.0°

Release date:	2023-06-14
Definition date:	2023-05-05
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7FWQ