XYZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	O4	sing	1.44Å	1.44Å
C4	C3	sing	1.55Å	1.54Å
C4	C5	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
O4	C1	sing	1.44Å	1.44Å
C1	C2	sing	1.54Å	1.55Å
C1	O1	sing	1.43Å	1.12Å
C1	H1	sing	1.09Å	1.10Å
C2	O2	sing	1.43Å	1.43Å
C2	C3	sing	1.55Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.43Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C3	105.1°	103.6°
O4	C4	C5	109.4°	110.6°
O4	C4	H4	115.1°	110.7°
C4	O4	C1	109.7°	107.0°
C3	C4	C5	116.6°	110.6°
C3	C4	H4	107.8°	110.6°
C4	C3	C2	101.3°	102.0°
C4	C3	O3	111.3°	110.8°
C4	C3	H3	113.1°	111.1°
C5	C4	H4	103.3°	110.5°
C4	C5	O5	110.6°	109.5°
C4	C5	H51	108.8°	109.5°
C4	C5	H52	109.1°	109.5°
O4	C1	C2	106.4°	107.3°
O4	C1	O1	111.5°	109.9°
O4	C1	H1	110.9°	109.9°
C2	C1	O1	111.4°	110.0°
C2	C1	H1	110.9°	109.9°
C1	C2	O2	111.0°	110.5°
C1	C2	C3	103.2°	104.2°
C1	C2	H2	112.7°	110.5°
O1	C1	H1	105.8°	109.9°
C1	O1	HO1	109.5°	106.8°
O2	C2	C3	109.6°	110.4°
O2	C2	H2	106.5°	110.4°
C2	O2	HO2	109.5°	106.8°
C3	C2	H2	114.0°	110.6°
C2	C3	O3	108.3°	110.9°
C2	C3	H3	116.0°	110.9°
O3	C3	H3	106.8°	110.7°
C3	O3	HO3	109.5°	106.8°
O5	C5	H51	108.9°	109.4°
O5	C5	H52	109.1°	109.5°
C5	O5	HO5	109.5°	106.8°
H51	C5	H52	110.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C3	C5	121.4°	118.5°
O4	C4	C3	H4	123.2°	118.6°
O4	C4	C5	H4	123.0°	122.9°
C4	O4	C1	C2	2.8°	26.6°
C4	O4	C1	O1	124.5°	146.1°
C4	O4	C1	H1	117.9°	92.8°
O4	C4	C3	C2	37.0°	36.8°
O4	C4	C3	O3	77.9°	81.3°
O4	C4	C3	H3	161.9°	155.1°
O4	C4	C5	O5	179.1°	68.6°
O4	C4	C5	H51	59.6°	51.4°
O4	C4	C5	H52	60.9°	171.4°
C3	C4	C5	H4	117.9°	122.9°
C3	C4	O4	C1	25.2°	40.0°
C4	C3	C2	C1	34.2°	20.7°
C4	C3	C2	O2	84.1°	98.0°
C4	C3	C2	O3	117.2°	118.0°
C4	C3	C2	H3	122.9°	118.4°
C4	C3	C2	H2	156.7°	139.5°
C4	C3	O3	H3	123.9°	123.8°
C4	C3	O3	HO3	70.4°	174.0°
C3	C4	C5	O5	61.8°	177.2°
C3	C4	C5	H51	178.7°	62.8°
C3	C4	C5	H52	58.2°	57.2°
C5	C4	O4	C1	151.1°	158.6°
C5	C4	C3	C2	158.4°	155.4°
C5	C4	C3	O3	43.5°	37.3°
C5	C4	C3	H3	76.7°	86.3°
C4	C5	O5	H51	119.5°	120.0°
C4	C5	O5	H52	120.0°	120.0°
C4	C5	H51	H52	119.7°	120.1°
C4	C5	O5	HO5	118.6°	180.0°
H4	C4	O4	C1	93.2°	78.6°
H4	C4	C3	C2	86.2°	81.8°
H4	C4	C3	O3	158.9°	160.1°
H4	C4	C3	H3	38.7°	36.5°
H4	C4	C5	O5	56.1°	54.3°
H4	C4	C5	H51	63.4°	174.3°
H4	C4	C5	H52	176.1°	65.7°
O4	C1	C2	O1	121.7°	119.5°
O4	C1	C2	H1	120.7°	119.4°
O4	C1	O1	H1	120.6°	121.1°
O4	C1	C2	O2	96.7°	120.8°
O4	C1	C2	C3	20.7°	2.2°
O4	C1	C2	H2	144.0°	116.6°
O4	C1	O1	HO1	105.3°	61.5°
C2	C1	O1	H1	120.6°	121.1°
C1	C2	O2	C3	113.3°	114.8°
C1	C2	O2	H2	123.0°	122.6°
C1	C2	C3	H2	122.5°	118.8°
C1	C2	O2	HO2	148.5°	61.5°
C1	C2	C3	O3	82.9°	97.4°
C1	C2	C3	H3	157.2°	139.1°
C2	C1	O1	HO1	135.9°	179.4°
O1	C1	C2	O2	141.6°	119.7°
O1	C1	C2	C3	101.0°	121.7°
O1	C1	C2	H2	22.3°	2.8°
H1	C1	C2	O2	24.0°	1.4°
H1	C1	C2	C3	141.4°	117.2°
H1	C1	C2	H2	95.3°	123.9°
H1	C1	O1	HO1	15.3°	59.5°
O2	C2	C3	H2	119.2°	122.5°
O2	C2	C3	O3	158.8°	143.9°
O2	C2	C3	H3	38.9°	20.4°
C3	C2	O2	HO2	35.1°	176.3°
C2	C3	O3	H3	125.6°	123.6°
C2	C3	O3	HO3	40.1°	61.4°
H2	C2	O2	HO2	88.6°	61.1°
H2	C2	C3	O3	39.5°	21.4°
H2	C2	C3	H3	80.4°	102.1°
H3	C3	O3	HO3	165.6°	62.2°
O5	C5	H51	H52	119.7°	120.0°
H51	C5	O5	HO5	121.8°	60.0°
H52	C5	O5	HO5	1.4°	60.0°

Definition date:	2004-06-10
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1W0Q