Obsolete: TF6

TF6 was replaced with PIX on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C4	sing	1.47Å	1.42Å
N3	C8	sing	1.35Å	1.30Å
N3	C2	sing	1.47Å	1.42Å
C4	C5	sing	1.53Å	1.55Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.56Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.56Å
C6	C1	sing	1.53Å	1.56Å
C6	H6	sing	1.09Å	1.10Å
C7	C12	sing	1.51Å	1.49Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	O9	doub	1.22Å	1.22Å
C8	O3	sing	1.35Å	1.22Å
C13	C12	doub	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.38Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	C14	doub	1.38Å	1.41Å	Aromatic
C15	C16	sing	1.39Å	1.42Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C17	C12	sing	1.38Å	1.41Å	Aromatic
C17	C16	doub	1.39Å	1.41Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C20	C21	doub	1.38Å	1.41Å	Aromatic
C20	C19	sing	1.39Å	1.41Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C21	C24	sing	1.39Å	1.41Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C24	C23	doub	1.38Å	1.42Å	Aromatic
C24	C25	sing	1.51Å	1.49Å
C2	C1	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C14	H14	sing	1.08Å	1.08Å
C16	O18	sing	1.36Å	1.28Å
O18	C19	sing	1.36Å	1.27Å
C19	N24	doub	1.32Å	1.36Å	Aromatic
N24	C23	sing	1.32Å	1.36Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C25	F28	sing	1.40Å	1.37Å
C25	F26	sing	1.40Å	1.37Å
C25	F27	sing	1.40Å	1.38Å
O3	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N3	C8	120.4°	120.6°
C4	N3	C2	119.0°	118.8°
N3	C4	C5	111.0°	108.7°
N3	C4	H4	109.1°	109.6°
N3	C4	H4A	109.1°	109.6°
C8	N3	C2	120.6°	120.6°
N3	C8	O9	120.5°	120.0°
N3	C8	O3	120.2°	120.0°
N3	C2	C1	111.9°	109.0°
N3	C2	H2	108.8°	109.6°
N3	C2	H2A	108.8°	109.6°
C5	C4	H4	109.1°	109.6°
C5	C4	H4A	109.1°	109.6°
C4	C5	C6	110.8°	109.4°
C4	C5	H5	109.1°	109.5°
C4	C5	H5A	109.1°	109.5°
H4	C4	H4A	109.5°	109.8°
C6	C5	H5	109.1°	109.5°
C6	C5	H5A	109.2°	109.5°
C5	C6	C7	111.7°	109.5°
C5	C6	C1	109.4°	109.5°
C5	C6	H6	107.8°	109.5°
H5	C5	H5A	109.5°	109.5°
C7	C6	C1	112.2°	109.5°
C7	C6	H6	107.8°	109.5°
C6	C7	C12	113.6°	109.5°
C6	C7	H7	108.4°	109.5°
C6	C7	H7A	108.4°	109.5°
C1	C6	H6	107.8°	109.4°
C6	C1	C2	112.0°	109.4°
C6	C1	H1	108.9°	109.5°
C6	C1	H1A	108.8°	109.5°
C12	C7	H7	108.4°	109.5°
C12	C7	H7A	108.4°	109.4°
C7	C12	C13	120.3°	119.9°
C7	C12	C17	121.4°	120.0°
H7	C7	H7A	109.5°	109.4°
O9	C8	O3	119.3°	120.0°
C8	O3	H19	109.5°	117.0°
C12	C13	C14	120.7°	120.1°
C12	C13	H13	119.7°	120.0°
C13	C12	C17	118.3°	120.1°
C14	C13	H13	119.6°	120.0°
C13	C14	C15	120.2°	120.1°
C13	C14	H14	119.9°	120.0°
C14	C15	C16	120.4°	120.0°
C14	C15	H15	119.8°	120.1°
C15	C14	H14	119.9°	119.9°
C16	C15	H15	119.8°	120.0°
C15	C16	C17	118.5°	119.9°
C15	C16	O18	126.8°	120.1°
C12	C17	C16	121.8°	120.0°
C12	C17	H17	119.1°	120.0°
C16	C17	H17	119.1°	120.0°
C17	C16	O18	114.7°	120.0°
C21	C20	C19	119.7°	119.1°
C21	C20	H20	120.2°	120.5°
C20	C21	C24	120.9°	118.5°
C20	C21	H21	119.5°	120.7°
C19	C20	H20	120.2°	120.5°
C20	C19	O18	116.2°	119.6°
C20	C19	N24	118.5°	120.6°
C24	C21	H21	119.6°	120.8°
C21	C24	C23	116.9°	119.3°
C21	C24	C25	122.7°	120.3°
C23	C24	C25	120.4°	120.4°
C24	C23	N24	120.8°	120.8°
C24	C23	H23	119.6°	119.6°
C24	C25	F28	110.6°	109.4°
C24	C25	F26	109.5°	109.4°
C24	C25	F27	114.2°	109.5°
C1	C2	H2	108.9°	109.2°
C1	C2	H2A	108.9°	109.7°
C2	C1	H1	108.8°	109.4°
C2	C1	H1A	108.9°	109.6°
H2	C2	H2A	109.5°	109.7°
H1	C1	H1A	109.4°	109.5°
C16	O18	C19	137.1°	118.0°
O18	C19	N24	125.2°	119.7°
C19	N24	C23	123.2°	121.7°
N24	C23	H23	119.6°	119.6°
F28	C25	F26	108.7°	109.5°
F28	C25	F27	106.3°	109.5°
F26	C25	F27	107.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N3	C8	C2	180.0°	179.8°
N3	C4	C5	H4	120.2°	119.8°
N3	C4	C5	H4A	120.2°	119.7°
N3	C4	H4	H4A	119.3°	120.4°
N3	C4	C5	C6	53.6°	54.7°
N3	C4	C5	H5	66.6°	65.3°
N3	C4	C5	H5A	173.8°	174.6°
C4	N3	C8	O9	106.2°	0.2°
C4	N3	C8	O3	73.5°	180.0°
C4	N3	C2	C1	52.0°	53.4°
C4	N3	C2	H2	68.4°	66.1°
C4	N3	C2	H2A	172.3°	173.4°
C8	N3	C4	C5	125.5°	126.4°
C8	N3	C4	H4	5.2°	6.7°
C8	N3	C4	H4A	114.3°	113.8°
N3	C8	O9	O3	179.8°	179.9°
C8	N3	C2	C1	128.0°	126.5°
C8	N3	C2	H2	111.6°	114.0°
C8	N3	C2	H2A	7.7°	6.4°
N3	C8	O3	H19	179.8°	179.9°
C2	N3	C4	C5	54.5°	53.4°
C2	N3	C4	H4	174.8°	173.2°
C2	N3	C4	H4A	65.7°	66.3°
N3	C2	C1	C6	48.6°	54.4°
C2	N3	C8	O9	73.8°	179.7°
C2	N3	C8	O3	106.4°	0.2°
N3	C2	C1	H2	120.4°	119.7°
N3	C2	C1	H2A	120.3°	120.0°
N3	C2	H2	H2A	118.9°	120.4°
N3	C2	C1	H1	71.8°	65.5°
N3	C2	C1	H1A	169.0°	174.5°
C5	C4	H4	H4A	119.3°	120.4°
C4	C5	C6	H5	120.2°	120.0°
C4	C5	C6	H5A	120.2°	119.9°
C4	C5	H5	H5A	119.4°	120.1°
C4	C5	C6	C7	178.1°	178.6°
C4	C5	C6	C1	53.2°	61.4°
C4	C5	C6	H6	63.7°	58.6°
H4	C4	C5	C6	173.8°	174.4°
H4	C4	C5	H5	53.6°	54.4°
H4	C4	C5	H5A	66.0°	65.6°
H4A	C4	C5	C6	66.7°	65.1°
H4A	C4	C5	H5	173.2°	174.9°
H4A	C4	C5	H5A	53.6°	54.9°
C6	C5	H5	H5A	119.4°	120.0°
C5	C6	C7	C1	123.3°	120.0°
C5	C6	C7	H6	118.2°	120.0°
C5	C6	C1	H6	116.9°	120.0°
C5	C6	C7	C12	167.1°	175.0°
C5	C6	C7	H7	72.3°	64.9°
C5	C6	C7	H7A	46.4°	55.0°
C5	C6	C1	C2	50.9°	61.2°
C5	C6	C1	H1	69.5°	58.6°
C5	C6	C1	H1A	171.3°	178.7°
H5	C5	C6	C7	57.9°	61.3°
H5	C5	C6	C1	67.0°	58.7°
H5	C5	C6	H6	176.1°	178.6°
H5A	C5	C6	C7	61.7°	58.7°
H5A	C5	C6	C1	173.4°	178.7°
H5A	C5	C6	H6	56.5°	61.4°
C7	C6	C1	H6	118.5°	120.0°
C6	C7	C12	H7	120.6°	120.1°
C6	C7	C12	H7A	120.6°	120.0°
C6	C7	H7	H7A	118.1°	120.0°
C6	C7	C12	C13	71.2°	90.0°
C6	C7	C12	C17	108.8°	89.9°
C7	C6	C1	C2	175.5°	178.8°
C7	C6	C1	H1	55.1°	61.4°
C7	C6	C1	H1A	64.1°	58.6°
C1	C6	C7	C12	69.6°	65.0°
C1	C6	C7	H7	51.0°	55.1°
C1	C6	C7	H7A	169.8°	175.1°
C6	C1	C2	H1	120.4°	119.9°
C6	C1	C2	H1A	120.4°	120.1°
C6	C1	C2	H2	71.7°	65.3°
C6	C1	C2	H2A	169.0°	174.4°
C6	C1	H1	H1A	118.8°	120.0°
H6	C6	C7	C12	48.9°	55.0°
H6	C6	C7	H7	169.5°	175.0°
H6	C6	C7	H7A	71.8°	65.0°
H6	C6	C1	C2	66.0°	58.8°
H6	C6	C1	H1	173.6°	178.6°
H6	C6	C1	H1A	54.3°	61.4°
C12	C7	H7	H7A	118.1°	119.9°
C7	C12	C13	C17	180.0°	180.0°
C7	C12	C13	C14	179.7°	180.0°
C7	C12	C13	H13	0.3°	0.3°
C7	C12	C17	C16	178.7°	180.0°
C7	C12	C17	H17	1.3°	0.1°
H7	C7	C12	C13	168.2°	30.1°
H7	C7	C12	C17	11.8°	150.0°
H7A	C7	C12	C13	49.4°	150.0°
H7A	C7	C12	C17	130.6°	30.1°
O9	C8	O3	H19	0.0°	0.1°
C12	C13	C14	H13	180.0°	179.7°
C12	C13	C14	C15	0.4°	0.0°
C13	C12	C17	C16	1.3°	0.0°
C13	C12	C17	H17	178.6°	179.9°
C12	C13	C14	H14	179.6°	180.0°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.0°	0.0°
C13	C14	C15	H15	180.0°	180.0°
C14	C13	C12	C17	0.3°	0.0°
H13	C13	C14	C15	179.6°	179.7°
H13	C13	C12	C17	179.7°	179.7°
H13	C13	C14	H14	0.4°	0.3°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	1.0°	0.1°
C14	C15	C16	O18	179.2°	180.0°
C15	C16	C17	C12	1.7°	0.1°
C15	C16	C17	O18	179.8°	179.9°
C15	C16	C17	H17	178.3°	180.0°
C16	C15	C14	H14	180.0°	180.0°
C15	C16	O18	C19	9.1°	110.0°
H15	C15	C16	C17	179.0°	180.0°
H15	C15	C14	H14	0.0°	0.1°
H15	C15	C16	O18	0.8°	0.1°
C12	C17	C16	H17	180.0°	179.9°
C12	C17	C16	O18	178.5°	180.0°
C17	C16	O18	C19	171.1°	69.9°
H17	C17	C16	O18	1.5°	0.1°
C21	C20	C19	H20	180.0°	179.7°
C20	C21	C24	H21	180.0°	180.0°
C20	C21	C24	C23	0.9°	0.1°
C20	C21	C24	C25	179.5°	179.9°
C21	C20	C19	O18	177.8°	180.0°
C21	C20	C19	N24	1.2°	0.1°
C19	C20	C21	C24	0.6°	0.0°
C19	C20	C21	H21	179.4°	180.0°
C20	C19	O18	C16	179.4°	174.2°
C20	C19	O18	N24	178.9°	179.9°
C20	C19	N24	C23	0.3°	0.0°
H20	C20	C21	C24	179.5°	179.7°
H20	C20	C21	H21	0.5°	0.3°
H20	C20	C19	O18	2.1°	0.3°
H20	C20	C19	N24	178.8°	179.7°
C21	C24	C23	C25	179.6°	179.8°
C21	C24	C23	N24	1.7°	0.1°
C21	C24	C23	H23	178.3°	179.9°
C21	C24	C25	F28	128.1°	90.1°
C21	C24	C25	F26	112.1°	150.0°
C21	C24	C25	F27	8.2°	29.9°
H21	C21	C24	C23	179.1°	179.9°
H21	C21	C24	C25	0.5°	0.1°
C24	C23	N24	C19	1.2°	0.1°
C24	C23	N24	H23	180.0°	179.9°
C23	C24	C25	F28	52.3°	90.1°
C23	C24	C25	F26	67.4°	29.9°
C23	C24	C25	F27	172.2°	149.9°
C25	C24	C23	N24	178.7°	180.0°
C25	C24	C23	H23	1.3°	0.1°
C24	C25	F28	F26	120.2°	119.9°
C24	C25	F28	F27	124.5°	120.0°
C24	C25	F26	F27	124.5°	120.0°
C1	C2	H2	H2A	118.9°	120.3°
C2	C1	H1	H1A	118.9°	120.1°
H2	C2	C1	H1	167.9°	174.8°
H2	C2	C1	H1A	48.6°	54.7°
H2A	C2	C1	H1	48.6°	54.5°
H2A	C2	C1	H1A	70.6°	65.5°
C16	O18	C19	N24	1.7°	5.8°
O18	C19	N24	C23	178.6°	180.0°
C19	N24	C23	H23	178.8°	180.0°
F28	C25	F26	F27	114.6°	120.0°

Definition date:	2010-01-29
Last modified:	2011-12-06
Release status:	OBS
Processing site:	RCSB
Replaced by:	PIX
Derived from:	3LJ6