PF8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C7	doub	1.38Å	1.40Å	Aromatic
C7	C3	sing	1.39Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C2	C6	doub	1.36Å	1.38Å	Aromatic
C6	N9	sing	1.35Å	1.36Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C16	C13	doub	1.39Å	1.40Å	Aromatic
C13	C8	sing	1.38Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C22	C20	doub	1.39Å	1.40Å	Aromatic
N21	C20	sing	1.31Å	1.36Å	Aromatic
C20	C19	sing	1.51Å	1.52Å
C8	C3	doub	1.39Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
O18	C16	sing	1.36Å	1.38Å
C16	C12	sing	1.39Å	1.41Å	Aromatic
C19	O18	sing	1.43Å	1.44Å
C19	H19	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C28	C26	doub	1.36Å	1.39Å	Aromatic
C26	C23	sing	1.41Å	1.40Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C29	C27	doub	1.36Å	1.40Å	Aromatic
C29	C28	sing	1.39Å	1.39Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C28	H28	sing	1.08Å	1.08Å
C25	C23	sing	1.42Å	1.40Å	Aromatic
C23	N21	doub	1.34Å	1.36Å	Aromatic
C27	C25	sing	1.40Å	1.39Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C25	C24	doub	1.41Å	1.40Å	Aromatic
C24	C22	sing	1.37Å	1.40Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C3	C1	sing	1.48Å	1.50Å	Aromatic
C1	C2	sing	1.42Å	1.39Å	Aromatic
C1	N4	doub	1.31Å	1.34Å	Aromatic
C5	C2	sing	1.48Å	1.49Å	Aromatic
N4	N9	sing	1.40Å	1.40Å	Aromatic
C11	C5	doub	1.40Å	1.40Å	Aromatic
C5	C10	sing	1.40Å	1.39Å	Aromatic
C15	C11	sing	1.38Å	1.39Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C15	N17	doub	1.32Å	1.34Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
N17	C14	sing	1.32Å	1.35Å	Aromatic
C14	C10	doub	1.38Å	1.40Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
N9	HN9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C7	C3	119.9°	119.9°
C12	C7	H7	120.1°	120.0°
C7	C12	C16	121.3°	120.1°
C7	C12	H12	119.3°	119.9°
C3	C7	H7	120.1°	120.1°
C7	C3	C8	119.0°	119.9°
C7	C3	C1	120.0°	120.1°
C2	C6	N9	107.9°	107.9°
C2	C6	H6	126.1°	126.1°
C6	C2	C1	106.2°	107.5°
C6	C2	C5	126.8°	126.3°
N9	C6	H6	126.1°	126.0°
C6	N9	N4	109.1°	108.4°
C6	N9	HN9	125.4°	125.8°
C16	C13	C8	119.1°	120.1°
C16	C13	H13	120.4°	120.0°
C13	C16	O18	120.0°	119.9°
C13	C16	C12	119.3°	120.1°
C8	C13	H13	120.4°	120.0°
C13	C8	C3	121.5°	119.9°
C13	C8	H8	119.2°	120.1°
C22	C20	N21	120.7°	121.7°
C22	C20	C19	120.6°	119.2°
C20	C22	C24	119.5°	120.0°
C20	C22	H22	120.3°	120.0°
N21	C20	C19	118.7°	119.1°
C20	N21	C23	121.2°	121.3°
C20	C19	O18	108.9°	109.4°
C20	C19	H19	109.6°	109.5°
C20	C19	H19A	109.8°	109.4°
C3	C8	H8	119.3°	120.0°
C8	C3	C1	121.0°	120.1°
O18	C16	C12	120.7°	119.9°
C16	O18	C19	123.3°	117.0°
C16	C12	H12	119.4°	120.0°
O18	C19	H19	109.7°	109.5°
O18	C19	H19A	109.8°	109.5°
H19	C19	H19A	109.1°	109.5°
C28	C26	C23	119.5°	119.8°
C28	C26	H26	120.3°	120.2°
C26	C28	C29	120.3°	121.1°
C26	C28	H28	119.8°	119.4°
C23	C26	H26	120.2°	120.1°
C26	C23	C25	120.4°	119.1°
C26	C23	N21	119.6°	121.1°
C27	C29	C28	120.2°	120.9°
C27	C29	H29	119.9°	119.5°
C29	C27	C25	119.9°	119.6°
C29	C27	H27	120.0°	120.2°
C28	C29	H29	119.9°	119.6°
C29	C28	H28	119.8°	119.5°
C25	C23	N21	119.9°	119.8°
C23	C25	C27	119.6°	119.6°
C23	C25	C24	119.6°	119.0°
C25	C27	H27	120.0°	120.2°
C27	C25	C24	120.8°	121.4°
C25	C24	C22	119.1°	118.1°
C25	C24	H24	120.5°	120.9°
C22	C24	H24	120.4°	121.0°
C24	C22	H22	120.2°	120.0°
C3	C1	C2	132.5°	126.1°
C3	C1	N4	116.8°	126.1°
C2	C1	N4	110.7°	107.8°
C1	C2	C5	126.9°	126.2°
C1	N4	N9	106.1°	108.5°
C2	C5	C11	120.1°	121.0°
C2	C5	C10	120.1°	120.9°
N4	N9	HN9	125.4°	125.8°
C11	C5	C10	119.8°	118.1°
C5	C11	C15	119.2°	119.0°
C5	C11	H11	120.4°	120.5°
C5	C10	C14	118.9°	119.1°
C5	C10	H10	120.6°	120.5°
C15	C11	H11	120.4°	120.5°
C11	C15	N17	119.8°	120.9°
C11	C15	H15	120.1°	119.5°
N17	C15	H15	120.1°	119.5°
C15	N17	C14	122.6°	122.0°
N17	C14	C10	119.7°	120.9°
N17	C14	H14	120.2°	119.6°
C10	C14	H14	120.2°	119.6°
C14	C10	H10	120.5°	120.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C7	C3	H7	180.0°	179.7°
C7	C12	C16	C13	0.2°	0.5°
C12	C7	C3	C8	0.6°	0.2°
C7	C12	C16	O18	179.7°	179.7°
C7	C12	C16	H12	180.0°	179.9°
C12	C7	C3	C1	179.8°	179.7°
C7	C3	C8	C13	0.0°	0.0°
C7	C3	C8	C1	179.2°	179.9°
C7	C3	C8	H8	180.0°	179.5°
C3	C7	C12	C16	0.5°	0.0°
C3	C7	C12	H12	179.6°	179.9°
C7	C3	C1	C2	135.1°	145.0°
C7	C3	C1	N4	44.5°	35.2°
H7	C7	C3	C8	179.5°	180.0°
H7	C7	C12	C16	179.6°	179.7°
H7	C7	C12	H12	0.4°	0.3°
H7	C7	C3	C1	0.2°	0.0°
C2	C6	N9	H6	180.0°	179.7°
C6	C2	C1	C3	180.0°	180.0°
C6	C2	C1	C5	180.0°	180.0°
C6	C2	C1	N4	0.3°	0.2°
C2	C6	N9	N4	0.3°	0.2°
C6	C2	C5	C11	145.3°	130.3°
C6	C2	C5	C10	34.9°	50.0°
C2	C6	N9	HN9	179.7°	179.7°
N9	C6	C2	C1	0.4°	0.0°
C6	N9	N4	C1	0.1°	0.4°
N9	C6	C2	C5	179.6°	180.0°
C6	N9	N4	HN9	180.0°	179.9°
H6	C6	C2	C1	179.6°	179.7°
H6	C6	C2	C5	0.4°	0.2°
H6	C6	N9	N4	179.7°	179.9°
H6	C6	N9	HN9	0.3°	0.0°
C16	C13	C8	H13	180.0°	179.5°
C16	C13	C8	C3	0.7°	0.5°
C16	C13	C8	H8	179.3°	180.0°
C13	C16	O18	C12	179.4°	179.2°
C13	C16	O18	C19	177.8°	180.0°
C13	C16	C12	H12	179.8°	179.5°
C13	C8	C3	H8	180.0°	179.5°
C8	C13	C16	O18	179.8°	180.0°
C8	C13	C16	C12	0.8°	0.7°
C13	C8	C3	C1	179.2°	179.9°
H13	C13	C8	C3	179.3°	180.0°
H13	C13	C8	H8	0.7°	0.5°
H13	C13	C16	O18	0.2°	0.5°
H13	C13	C16	C12	179.2°	179.8°
C22	C20	N21	C19	179.5°	179.7°
C22	C20	C19	O18	159.8°	0.3°
C22	C20	C19	H19	80.2°	119.7°
C22	C20	C19	H19A	39.6°	120.3°
C22	C20	N21	C23	0.2°	0.3°
C20	C22	C24	C25	0.1°	0.0°
C20	C22	C24	H22	180.0°	180.0°
C20	C22	C24	H24	179.9°	180.0°
N21	C20	C19	O18	19.7°	180.0°
N21	C20	C19	H19	100.3°	60.0°
N21	C20	C19	H19A	139.9°	60.1°
C20	N21	C23	C26	179.3°	180.0°
C20	N21	C23	C25	0.5°	0.0°
N21	C20	C22	C24	0.1°	0.3°
N21	C20	C22	H22	179.9°	179.7°
C20	C19	O18	C16	161.5°	180.0°
C20	C19	O18	H19	120.0°	120.1°
C20	C19	O18	H19A	120.2°	119.9°
C20	C19	H19	H19A	120.2°	120.0°
C19	C20	N21	C23	179.3°	179.9°
C19	C20	C22	C24	179.6°	180.0°
C19	C20	C22	H22	0.4°	0.0°
C8	C3	C1	C2	44.1°	35.1°
C8	C3	C1	N4	136.3°	144.7°
H8	C8	C3	C1	0.8°	0.6°
C16	O18	C19	H19	78.5°	60.0°
C16	O18	C19	H19A	41.3°	60.1°
O18	C16	C12	H12	0.3°	0.2°
C12	C16	O18	C19	1.6°	0.8°
O18	C19	H19	H19A	120.2°	120.0°
C28	C26	C23	H26	180.0°	179.9°
C26	C28	C29	C27	1.5°	0.1°
C26	C28	C29	H28	180.0°	179.8°
C26	C28	C29	H29	178.5°	180.0°
C28	C26	C23	C25	1.0°	0.1°
C28	C26	C23	N21	179.2°	179.9°
C23	C26	C28	C29	1.4°	0.1°
C23	C26	C28	H28	178.7°	180.0°
C26	C23	C25	N21	179.8°	180.0°
C26	C23	C25	C27	0.7°	0.0°
C26	C23	C25	C24	179.3°	179.8°
H26	C26	C28	C29	178.6°	180.0°
H26	C26	C28	H28	1.3°	0.2°
H26	C26	C23	C25	179.0°	180.0°
H26	C26	C23	N21	0.8°	0.1°
C27	C29	C28	H29	180.0°	179.9°
C27	C29	C28	H28	178.5°	179.9°
C29	C27	C25	C23	0.8°	0.0°
C29	C27	C25	H27	180.0°	180.0°
C29	C27	C25	C24	179.2°	179.8°
C28	C29	C27	C25	1.2°	0.1°
C28	C29	C27	H27	178.8°	180.0°
H29	C29	C28	H28	1.5°	0.1°
H29	C29	C27	C25	178.8°	180.0°
H29	C29	C27	H27	1.2°	0.0°
C23	C25	C27	C24	179.9°	179.8°
C23	C25	C27	H27	179.2°	180.0°
C23	C25	C24	C22	0.2°	0.2°
C23	C25	C24	H24	179.8°	179.7°
N21	C23	C25	C27	179.5°	180.0°
N21	C23	C25	C24	0.5°	0.3°
C27	C25	C24	C22	179.8°	180.0°
C27	C25	C24	H24	0.2°	0.0°
H27	C27	C25	C24	0.8°	0.2°
C25	C24	C22	H24	180.0°	179.9°
C25	C24	C22	H22	179.9°	179.9°
H24	C24	C22	H22	0.1°	0.0°
C3	C1	C2	N4	179.7°	179.8°
C3	C1	C2	C5	0.0°	0.0°
C3	C1	N4	N9	179.8°	179.8°
C2	C1	N4	N9	0.1°	0.4°
C1	C2	C5	C11	34.6°	49.7°
C1	C2	C5	C10	145.1°	130.0°
N4	C1	C2	C5	179.7°	179.8°
C1	N4	N9	HN9	179.9°	179.6°
C2	C5	C11	C10	179.7°	179.7°
C2	C5	C11	C15	179.7°	180.0°
C2	C5	C11	H11	0.4°	0.1°
C2	C5	C10	C14	180.0°	179.8°
C2	C5	C10	H10	0.0°	0.0°
C5	C11	C15	H11	180.0°	179.9°
C5	C11	C15	N17	0.5°	0.1°
C5	C11	C15	H15	179.5°	180.0°
C11	C5	C10	C14	0.2°	0.5°
C11	C5	C10	H10	179.8°	179.7°
C10	C5	C11	C15	0.1°	0.3°
C10	C5	C11	H11	179.9°	179.8°
C5	C10	C14	N17	0.2°	0.5°
C5	C10	C14	H10	180.0°	179.8°
C5	C10	C14	H14	179.8°	179.7°
C11	C15	N17	H15	180.0°	180.0°
C11	C15	N17	C14	0.6°	0.0°
H11	C11	C15	N17	179.5°	180.0°
H11	C11	C15	H15	0.5°	0.0°
C15	N17	C14	C10	0.3°	0.2°
C15	N17	C14	H14	179.7°	179.9°
H15	C15	N17	C14	179.4°	180.0°
N17	C14	C10	H14	180.0°	179.8°
N17	C14	C10	H10	179.9°	179.8°
H14	C14	C10	H10	0.1°	0.1°

Definition date:	2009-06-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3HQZ