PFZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O2	sing	1.43Å	1.44Å
C1	C3	sing	1.51Å	1.54Å
C1	C4	sing	1.53Å	1.55Å
C1	C5	sing	1.53Å	1.56Å
O2	HO2	sing	0.97Å	0.95Å
C3	C12	doub	1.38Å	1.40Å	Aromatic
C3	C16	sing	1.38Å	1.41Å	Aromatic
C4	C6	sing	1.53Å	1.55Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	N11	sing	1.46Å	1.51Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.11Å
C6	C7	sing	1.53Å	1.54Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.54Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	C9	sing	1.53Å	1.54Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
C9	C10	sing	1.53Å	1.54Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.11Å
N11	C17	sing	1.37Å	1.38Å	Aromatic
N11	C20	sing	1.35Å	1.35Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.38Å	1.40Å	Aromatic
C14	CL22	sing	1.74Å	1.71Å
C15	C16	doub	1.38Å	1.40Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	CL21	sing	1.74Å	1.72Å
C17	C18	doub	1.35Å	1.36Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	N19	sing	1.34Å	1.31Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
N19	C20	doub	1.31Å	1.37Å	Aromatic
C20	H20	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C1	C3	108.3°	109.5°
O2	C1	C4	105.8°	109.5°
O2	C1	C5	106.8°	109.4°
C1	O2	HO2	108.3°	106.8°
C3	C1	C4	113.1°	109.5°
C3	C1	C5	111.4°	109.5°
C1	C3	C12	118.7°	119.9°
C1	C3	C16	123.1°	120.1°
C4	C1	C5	111.1°	109.4°
C1	C4	C6	113.4°	109.5°
C1	C4	H41	110.8°	109.5°
C1	C4	H42	110.7°	109.5°
C1	C5	N11	111.2°	109.5°
C1	C5	H51	111.5°	109.4°
C1	C5	H52	111.6°	109.5°
C12	C3	C16	118.3°	120.0°
C3	C12	C13	121.4°	120.0°
C3	C12	H12	119.7°	120.0°
C3	C16	C15	120.0°	120.1°
C3	C16	CL21	123.3°	120.0°
C6	C4	H41	110.8°	109.4°
C6	C4	H42	110.8°	109.5°
C4	C6	C7	113.2°	109.5°
C4	C6	H61	110.9°	109.5°
C4	C6	H62	110.8°	109.4°
H41	C4	H42	99.6°	109.5°
N11	C5	H51	111.6°	109.5°
N11	C5	H52	111.6°	109.5°
C5	N11	C17	123.7°	126.4°
C5	N11	C20	129.7°	126.4°
H51	C5	H52	98.9°	109.5°
C7	C6	H61	110.8°	109.5°
C7	C6	H62	110.8°	109.5°
C6	C7	C8	111.8°	109.5°
C6	C7	H71	111.4°	109.5°
C6	C7	H72	111.4°	109.5°
H61	C6	H62	99.5°	109.5°
C8	C7	H71	111.3°	109.5°
C8	C7	H72	111.3°	109.4°
C7	C8	C9	112.9°	109.5°
C7	C8	H81	111.0°	109.5°
C7	C8	H82	111.0°	109.4°
H71	C7	H72	99.0°	109.4°
C9	C8	H81	110.9°	109.5°
C9	C8	H82	110.9°	109.5°
C8	C9	C10	112.3°	109.4°
C8	C9	H91	111.2°	109.5°
C8	C9	H92	111.2°	109.4°
H81	C8	H82	99.4°	109.5°
C10	C9	H91	111.2°	109.5°
C10	C9	H92	111.2°	109.5°
C9	C10	H101	112.3°	109.4°
C9	C10	H102	111.2°	109.5°
C9	C10	H103	111.2°	109.5°
H91	C9	H92	99.1°	109.5°
H101	C10	H102	111.1°	109.4°
H101	C10	H103	111.2°	109.5°
H102	C10	H103	99.2°	109.5°
C17	N11	C20	106.6°	107.2°
N11	C17	C18	108.5°	106.8°
N11	C17	H17	126.3°	126.6°
N11	C20	N19	107.7°	108.7°
N11	C20	H20	125.3°	125.6°
C13	C12	H12	118.9°	120.0°
C12	C13	C14	120.0°	120.0°
C12	C13	H13	120.0°	120.0°
C14	C13	H13	119.9°	120.0°
C13	C14	C15	119.5°	120.0°
C13	C14	CL22	120.2°	120.0°
C15	C14	CL22	120.3°	120.0°
C14	C15	C16	120.8°	119.9°
C14	C15	H15	119.4°	120.0°
C16	C15	H15	119.7°	120.0°
C15	C16	CL21	116.7°	120.0°
C18	C17	H17	125.2°	126.6°
C17	C18	N19	107.5°	108.0°
C17	C18	H18	127.7°	126.0°
N19	C18	H18	124.7°	125.9°
C18	N19	C20	109.7°	109.2°
N19	C20	H20	127.0°	125.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	C3	C4	116.9°	120.0°
O2	C1	C3	C5	117.2°	120.0°
O2	C1	C4	C5	115.5°	119.9°
O2	C1	C3	C12	66.9°	0.0°
O2	C1	C3	C16	112.9°	179.7°
O2	C1	C4	C6	32.2°	58.7°
O2	C1	C4	H41	93.1°	61.3°
O2	C1	C4	H42	157.4°	178.7°
O2	C1	C5	N11	179.8°	65.4°
O2	C1	C5	H51	55.0°	174.7°
O2	C1	C5	H52	54.5°	54.7°
C3	C1	C4	C5	126.1°	120.0°
C3	C1	O2	HO2	180.0°	59.9°
C1	C3	C12	C16	179.8°	179.8°
C3	C1	C4	C6	86.3°	178.7°
C3	C1	C4	H41	148.5°	58.8°
C3	C1	C4	H42	39.0°	61.2°
C3	C1	C5	N11	61.7°	54.7°
C3	C1	C5	H51	173.1°	65.2°
C3	C1	C5	H52	63.6°	174.8°
C1	C3	C12	C13	179.9°	180.0°
C1	C3	C12	H12	0.1°	0.1°
C1	C3	C16	C15	180.0°	179.7°
C1	C3	C16	CL21	0.6°	0.2°
C4	C1	O2	HO2	58.4°	60.1°
C4	C1	C3	C12	176.1°	120.1°
C4	C1	C3	C16	4.0°	59.7°
C1	C4	C6	H41	125.3°	120.0°
C1	C4	C6	H42	125.2°	120.1°
C1	C4	H41	H42	116.6°	120.0°
C4	C1	C5	N11	65.3°	174.7°
C4	C1	C5	H51	59.9°	54.8°
C4	C1	C5	H52	169.4°	65.3°
C1	C4	C6	C7	78.7°	178.7°
C1	C4	C6	H61	46.5°	61.3°
C1	C4	C6	H62	156.1°	58.7°
C5	C1	O2	HO2	60.0°	180.0°
C5	C1	C3	C12	50.2°	120.0°
C5	C1	C3	C16	129.9°	60.3°
C5	C1	C4	C6	147.7°	61.3°
C5	C1	C4	H41	22.4°	178.8°
C5	C1	C4	H42	87.1°	58.8°
C1	C5	N11	H51	125.2°	119.9°
C1	C5	N11	H52	125.2°	120.0°
C1	C5	H51	H52	117.5°	120.0°
C1	C5	N11	C17	57.5°	95.7°
C1	C5	N11	C20	124.6°	84.6°
C3	C12	C13	H12	180.0°	179.9°
C3	C12	C13	C14	0.0°	0.1°
C3	C12	C13	H13	180.0°	180.0°
C12	C3	C16	C15	0.1°	0.6°
C12	C3	C16	CL21	179.2°	180.0°
C16	C3	C12	C13	0.0°	0.3°
C16	C3	C12	H12	180.0°	179.7°
C3	C16	C15	C14	0.2°	0.6°
C3	C16	C15	CL21	179.4°	179.4°
C3	C16	C15	H15	179.8°	179.7°
C6	C4	H41	H42	116.6°	120.0°
C4	C6	C7	H61	125.3°	120.0°
C4	C6	C7	H62	125.2°	120.0°
C4	C6	H61	H62	116.7°	120.0°
C4	C6	C7	C8	112.9°	180.0°
C4	C6	C7	H71	12.4°	60.0°
C4	C6	C7	H72	121.8°	60.0°
H41	C4	C6	C7	156.0°	58.7°
H41	C4	C6	H61	78.7°	178.7°
H41	C4	C6	H62	30.8°	61.2°
H42	C4	C6	C7	46.5°	61.2°
H42	C4	C6	H61	171.8°	58.8°
H42	C4	C6	H62	78.7°	178.8°
N11	C5	H51	H52	117.5°	120.0°
C5	N11	C17	C20	178.3°	179.7°
C5	N11	C17	C18	179.4°	180.0°
C5	N11	C17	H17	0.7°	0.0°
C5	N11	C20	N19	178.4°	179.8°
C5	N11	C20	H20	1.6°	0.3°
H51	C5	N11	C17	67.7°	24.3°
H51	C5	N11	C20	110.1°	155.4°
H52	C5	N11	C17	177.2°	144.3°
H52	C5	N11	C20	0.6°	35.4°
C7	C6	H61	H62	116.7°	120.0°
C6	C7	C8	H71	125.3°	120.1°
C6	C7	C8	H72	125.3°	120.0°
C6	C7	H71	H72	117.3°	120.0°
C6	C7	C8	C9	139.3°	180.0°
C6	C7	C8	H81	14.0°	59.9°
C6	C7	C8	H82	95.5°	60.0°
H61	C6	C7	C8	121.9°	60.0°
H61	C6	C7	H71	112.9°	180.0°
H61	C6	C7	H72	3.4°	60.0°
H62	C6	C7	C8	12.3°	60.1°
H62	C6	C7	H71	137.6°	60.0°
H62	C6	C7	H72	112.9°	179.9°
C8	C7	H71	H72	117.2°	119.9°
C7	C8	C9	H81	125.3°	120.1°
C7	C8	C9	H82	125.2°	119.9°
C7	C8	H81	H82	116.9°	119.9°
C7	C8	C9	C10	28.6°	180.0°
C7	C8	C9	H91	153.9°	60.0°
C7	C8	C9	H92	96.7°	60.0°
H71	C7	C8	C9	95.4°	59.9°
H71	C7	C8	H81	139.3°	180.0°
H71	C7	C8	H82	29.8°	60.0°
H72	C7	C8	C9	14.0°	60.0°
H72	C7	C8	H81	111.3°	60.1°
H72	C7	C8	H82	139.2°	179.9°
C9	C8	H81	H82	116.8°	120.0°
C8	C9	C10	H91	125.3°	120.0°
C8	C9	C10	H92	125.3°	120.0°
C8	C9	H91	H92	117.0°	120.0°
C8	C9	C10	H101	180.0°	179.9°
C8	C9	C10	H102	54.8°	60.0°
C8	C9	C10	H103	54.7°	60.0°
H81	C8	C9	C10	96.7°	60.0°
H81	C8	C9	H91	28.6°	179.9°
H81	C8	C9	H92	138.0°	60.0°
H82	C8	C9	C10	153.8°	60.0°
H82	C8	C9	H91	80.9°	59.9°
H82	C8	C9	H92	28.5°	179.9°
C10	C9	H91	H92	117.0°	120.1°
C9	C10	H101	H102	125.2°	120.0°
C9	C10	H101	H103	125.2°	120.0°
C9	C10	H102	H103	117.1°	120.1°
H91	C9	C10	H101	54.7°	60.0°
H91	C9	C10	H102	179.9°	59.9°
H91	C9	C10	H103	70.5°	180.0°
H92	C9	C10	H101	54.7°	60.1°
H92	C9	C10	H102	70.5°	180.0°
H92	C9	C10	H103	180.0°	59.9°
H101	C10	H102	H103	117.1°	120.0°
N11	C17	C18	H17	180.0°	180.0°
N11	C17	C18	N19	1.5°	0.0°
N11	C17	C18	H18	178.5°	180.0°
C17	N11	C20	N19	0.3°	0.4°
C17	N11	C20	H20	179.8°	180.0°
C20	N11	C17	C18	1.1°	0.3°
C20	N11	C17	H17	178.9°	179.8°
N11	C20	N19	C18	0.7°	0.4°
N11	C20	N19	H20	180.0°	179.5°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.0°	0.1°
C12	C13	C14	CL22	179.8°	180.0°
H12	C12	C13	C14	180.0°	180.0°
H12	C12	C13	H13	0.0°	0.1°
C13	C14	C15	CL22	179.7°	179.9°
C13	C14	C15	C16	0.1°	0.3°
C13	C14	C15	H15	179.9°	180.0°
H13	C13	C14	C15	180.0°	180.0°
H13	C13	C14	CL22	0.2°	0.0°
C14	C15	C16	H15	180.0°	179.7°
C14	C15	C16	CL21	179.2°	180.0°
CL22	C14	C15	C16	179.9°	179.7°
CL22	C14	C15	H15	0.1°	0.0°
H15	C15	C16	CL21	0.8°	0.3°
C17	C18	N19	H18	180.0°	180.0°
C17	C18	N19	C20	1.3°	0.3°
H17	C17	C18	N19	178.5°	180.0°
H17	C17	C18	H18	1.5°	0.0°
C18	N19	C20	H20	179.3°	180.0°
H18	C18	N19	C20	178.6°	179.7°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1PHB