LFR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.43Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.12Å
C2	C3	sing	1.54Å	1.53Å
C2	O2	sing	1.43Å	1.42Å
C2	O5	sing	1.43Å	1.44Å
C3	C4	sing	1.55Å	1.52Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.55Å	1.53Å
C4	O4	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.55Å
C5	O5	sing	1.44Å	1.47Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	110.2°	109.5°
C2	C1	H11	112.0°	109.5°
C2	C1	H12	112.0°	109.5°
C1	C2	C3	111.8°	109.9°
C1	C2	O2	109.7°	109.8°
C1	C2	O5	111.5°	109.9°
O1	C1	H11	111.9°	109.4°
O1	C1	H12	111.9°	109.5°
C1	O1	HO1	110.2°	106.8°
H11	C1	H12	98.5°	109.5°
C3	C2	O2	110.4°	109.8°
C3	C2	O5	105.2°	107.6°
C2	C3	C4	99.5°	102.3°
C2	C3	O3	110.5°	110.8°
C2	C3	H3	111.5°	110.9°
O2	C2	O5	108.2°	109.8°
C2	O2	HO2	109.7°	106.8°
C2	O5	C5	107.8°	110.0°
C4	C3	O3	111.6°	111.1°
C4	C3	H3	111.6°	110.8°
C3	C4	C5	98.8°	100.9°
C3	C4	O4	111.2°	111.1°
C3	C4	H4	111.9°	111.2°
O3	C3	H3	111.6°	110.7°
C3	O3	HO3	110.6°	106.8°
C5	C4	O4	110.4°	111.3°
C5	C4	H4	111.9°	111.0°
C4	C5	C6	115.6°	110.3°
C4	C5	O5	104.6°	105.2°
C4	C5	H5	109.2°	110.3°
O4	C4	H4	111.9°	111.0°
C4	O4	HO4	111.2°	106.8°
C6	C5	O5	108.8°	110.3°
C6	C5	H5	109.2°	110.3°
C5	C6	O6	110.8°	109.5°
C5	C6	H61	111.7°	109.5°
C5	C6	H62	111.7°	109.5°
O5	C5	H5	109.2°	110.3°
O6	C6	H61	111.7°	109.5°
O6	C6	H62	111.7°	109.4°
C6	O6	HO6	110.8°	106.8°
H61	C6	H62	98.7°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	H11	125.3°	120.0°
C2	C1	O1	H12	125.3°	120.1°
C2	C1	H11	H12	117.9°	120.1°
C1	C2	C3	O2	122.4°	120.9°
C1	C2	C3	O5	121.2°	119.6°
C1	C2	O2	O5	121.8°	120.9°
C1	C2	C3	C4	160.7°	140.9°
C1	C2	C3	O3	81.8°	100.7°
C1	C2	C3	H3	42.9°	22.7°
C1	C2	O5	C5	135.8°	117.9°
C2	C1	O1	HO1	180.0°	180.0°
C1	C2	O2	HO2	180.0°	59.5°
O1	C1	H11	H12	117.8°	120.0°
O1	C1	C2	C3	166.9°	179.6°
O1	C1	C2	O2	70.4°	59.5°
O1	C1	C2	O5	49.5°	61.4°
H11	C1	C2	C3	67.9°	59.7°
H11	C1	C2	O2	54.9°	179.4°
H11	C1	C2	O5	174.7°	58.5°
H11	C1	O1	HO1	54.8°	60.0°
H12	C1	C2	C3	41.6°	60.3°
H12	C1	C2	O2	164.4°	60.6°
H12	C1	C2	O5	75.8°	178.5°
H12	C1	O1	HO1	54.7°	59.9°
C3	C2	O2	O5	114.6°	118.1°
C2	C3	C4	O3	116.7°	118.3°
C2	C3	C4	H3	117.8°	118.2°
C2	C3	O3	H3	124.7°	123.5°
C2	C3	C4	C5	47.4°	34.0°
C2	C3	C4	O4	163.4°	152.1°
C2	C3	C4	H4	70.6°	83.8°
C3	C2	O5	C5	14.5°	1.7°
C3	C2	O2	HO2	56.4°	179.5°
C2	C3	O3	HO3	180.0°	180.0°
O2	C2	C3	C4	76.9°	98.2°
O2	C2	C3	O3	40.5°	20.3°
O2	C2	C3	H3	165.3°	143.7°
O2	C2	O5	C5	103.5°	121.2°
O5	C2	C3	C4	39.6°	21.3°
O5	C2	C3	O3	157.0°	139.7°
O5	C2	C3	H3	78.2°	96.9°
C2	O5	C5	C4	16.4°	24.4°
C2	O5	C5	C6	140.4°	143.4°
C2	O5	C5	H5	100.4°	94.6°
O5	C2	O2	HO2	58.2°	61.5°
C4	C3	O3	H3	125.6°	123.5°
C3	C4	C5	O4	116.6°	117.9°
C3	C4	C5	H4	118.0°	117.9°
C3	C4	O4	H4	126.0°	124.2°
C3	C4	C5	C6	159.9°	155.3°
C3	C4	C5	O5	40.3°	36.3°
C3	C4	C5	H5	76.5°	82.6°
C4	C3	O3	HO3	70.3°	67.0°
C3	C4	O4	HO4	180.0°	180.0°
O3	C3	C4	C5	164.1°	152.3°
O3	C3	C4	O4	80.0°	89.6°
O3	C3	C4	H4	46.1°	34.5°
H3	C3	C4	C5	70.4°	84.2°
H3	C3	C4	O4	45.6°	33.9°
H3	C3	C4	H4	171.6°	158.0°
H3	C3	O3	HO3	55.2°	56.5°
C5	C4	O4	H4	125.4°	124.2°
C4	C5	C6	O5	117.3°	115.8°
C4	C5	C6	H5	123.6°	122.1°
C4	C5	O5	H5	116.8°	119.0°
C4	C5	C6	O6	50.2°	176.4°
C4	C5	C6	H61	175.5°	56.4°
C4	C5	C6	H62	75.0°	63.6°
C5	C4	O4	HO4	71.5°	68.4°
O4	C4	C5	C6	83.4°	86.7°
O4	C4	C5	O5	156.9°	154.3°
O4	C4	C5	H5	40.1°	35.3°
H4	C4	C5	C6	42.0°	37.4°
H4	C4	C5	O5	77.7°	81.6°
H4	C4	C5	H5	165.6°	159.5°
H4	C4	O4	HO4	53.9°	55.8°
C6	C5	O5	H5	119.1°	122.1°
C5	C6	O6	H61	125.3°	120.1°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	117.6°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	67.0°	67.8°
O5	C5	C6	H61	58.2°	172.2°
O5	C5	C6	H62	167.7°	52.2°
H5	C5	C6	O6	173.8°	54.3°
H5	C5	C6	H61	60.9°	65.8°
H5	C5	C6	H62	48.6°	174.3°
O6	C6	H61	H62	117.6°	119.9°
H61	C6	O6	HO6	54.7°	59.9°
H62	C6	O6	HO6	54.7°	60.0°

Definition date:	2006-03-09
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	2CGJ