XYF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.43Å
O3	HO3	sing	0.97Å	0.95Å
C3	C2	sing	1.52Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.10Å	1.12Å
C2	O2	sing	1.43Å	1.43Å
C2	C1	sing	1.52Å	1.53Å
C2	H2	sing	1.10Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
C1	F5	sing	1.36Å	1.35Å
C1	O5	sing	1.42Å	1.44Å
C1	H1	sing	1.10Å	1.12Å
O5	C5	sing	1.44Å	1.44Å
C5	C4	sing	1.55Å	1.53Å
C5	O1	sing	1.32Å	167.84Å
C5	H51	sing	1.10Å	1.12Å
C4	O4	sing	1.43Å	1.43Å
C4	H4	sing	1.10Å	1.12Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	O3	HO3	111.2°	106.3°
O3	C3	C2	111.3°	109.2°
O3	C3	C4	110.4°	108.4°
O3	C3	H3	108.1°	106.2°
C2	C3	C4	110.9°	111.4°
C2	C3	H3	107.6°	110.9°
C3	C2	O2	109.1°	108.5°
C3	C2	C1	109.1°	110.8°
C3	C2	H2	110.1°	110.5°
C4	C3	H3	108.5°	110.7°
C3	C4	C5	111.3°	111.3°
C3	C4	O4	107.9°	108.1°
C3	C4	H4	109.6°	108.5°
O2	C2	C1	109.9°	109.2°
O2	C2	H2	109.4°	107.1°
C2	O2	HO2	109.1°	106.6°
C1	C2	H2	109.3°	110.6°
C2	C1	F5	109.5°	108.3°
C2	C1	O5	112.8°	111.1°
C2	C1	H1	107.3°	112.7°
F5	C1	O5	109.8°	106.6°
F5	C1	H1	110.5°	107.0°
O5	C1	H1	106.9°	110.8°
C1	O5	C5	114.1°	113.1°
O5	C5	C4	110.1°	108.8°
O5	C5	O1	129.6°	107.1°
O5	C5	H51	90.8°	106.8°
C4	C5	O1	72.9°	108.0°
C4	C5	H51	138.2°	107.2°
C5	C4	O4	110.5°	110.3°
C5	C4	H4	107.0°	111.5°
O1	C5	H51	121.0°	118.7°
O4	C4	H4	110.4°	107.0°
C4	O4	HO4	108.0°	106.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	C4	123.3°	119.7°
O3	C3	C2	H3	118.2°	116.6°
O3	C3	C4	H3	118.3°	116.1°
O3	C3	C2	O2	55.9°	71.2°
O3	C3	C2	C1	176.0°	168.9°
O3	C3	C2	H2	64.1°	46.0°
O3	C3	C4	C5	146.8°	169.7°
O3	C3	C4	O4	91.7°	69.0°
O3	C3	C4	H4	28.6°	46.6°
HO3	O3	C3	C2	180.0°	50.1°
HO3	O3	C3	C4	56.4°	171.6°
HO3	O3	C3	H3	62.1°	69.4°
C2	C3	C4	H3	117.9°	123.8°
C3	C2	O2	C1	119.6°	120.8°
C3	C2	O2	H2	120.4°	119.4°
C3	C2	C1	H2	120.4°	122.9°
C3	C2	O2	HO2	180.0°	38.2°
C3	C2	C1	F5	158.7°	171.9°
C3	C2	C1	O5	36.1°	55.2°
C3	C2	C1	H1	81.4°	69.9°
C2	C3	C4	C5	23.0°	49.6°
C2	C3	C4	O4	144.5°	170.9°
C2	C3	C4	H4	95.1°	73.5°
C4	C3	C2	O2	179.2°	169.2°
C4	C3	C2	C1	60.7°	49.3°
C4	C3	C2	H2	59.2°	73.6°
C3	C4	C5	O5	37.5°	54.2°
C3	C4	C5	O4	119.9°	120.0°
C3	C4	C5	H4	119.8°	121.3°
C3	C4	C5	O1	89.2°	170.1°
C3	C4	C5	H51	153.1°	60.9°
C3	C4	O4	H4	119.9°	116.6°
C3	C4	O4	HO4	180.0°	159.4°
H3	C3	C2	O2	62.3°	45.4°
H3	C3	C2	C1	57.8°	74.5°
H3	C3	C2	H2	177.7°	162.6°
H3	C3	C4	C5	94.9°	74.3°
H3	C3	C4	O4	26.6°	47.0°
H3	C3	C4	H4	146.9°	162.7°
O2	C2	C1	H2	120.0°	117.6°
O2	C2	C1	F5	81.8°	68.6°
O2	C2	C1	O5	155.6°	174.6°
O2	C2	C1	H1	38.1°	49.5°
C1	C2	O2	HO2	60.4°	159.0°
C2	C1	F5	O5	124.4°	119.6°
C2	C1	F5	H1	117.9°	121.8°
C2	C1	O5	H1	117.7°	126.1°
C2	C1	O5	C5	26.1°	63.2°
H2	C2	O2	HO2	59.6°	81.2°
H2	C2	C1	F5	38.3°	49.0°
H2	C2	C1	O5	84.3°	67.7°
H2	C2	C1	H1	158.2°	167.2°
F5	C1	O5	H1	119.9°	116.1°
F5	C1	O5	C5	96.3°	179.0°
C1	O5	C5	C4	65.9°	61.8°
C1	O5	C5	O1	18.2°	178.3°
C1	O5	C5	H51	151.1°	53.6°
H1	C1	O5	C5	143.9°	62.9°
O5	C5	C4	O1	126.7°	115.9°
O5	C5	C4	H51	115.6°	115.1°
O5	C5	O1	H51	121.3°	120.8°
O5	C5	C4	O4	82.4°	174.2°
O5	C5	C4	H4	157.3°	67.1°
C4	C5	O1	H51	136.5°	122.2°
C5	C4	O4	H4	118.2°	121.5°
C5	C4	O4	HO4	58.1°	37.5°
O1	C5	C4	O4	150.9°	69.9°
O1	C5	C4	H4	30.6°	48.8°
H51	C5	C4	O4	33.2°	59.1°
H51	C5	C4	H4	87.1°	177.8°
H4	C4	O4	HO4	60.1°	83.9°

Definition date:	2004-10-23
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1XSK