AOS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.23Å	1.24Å
C1	C2	sing	1.51Å	1.52Å
C1	H1	sing	1.10Å	1.08Å
C2	O2	sing	1.42Å	1.42Å
C2	C3	sing	1.53Å	1.54Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.54Å	1.54Å
C3	H3	sing	1.10Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.54Å	1.53Å
C4	H4	sing	1.10Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.42Å
C5	C6	sing	1.53Å	1.52Å
C5	H5	sing	1.10Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
C6	O6	sing	1.43Å	1.42Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.10Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	119.8°	124.3°
O1	C1	H1	120.1°	120.1°
C2	C1	H1	120.1°	115.6°
C1	C2	O2	110.2°	107.6°
C1	C2	C3	111.3°	113.9°
C1	C2	H2	108.1°	108.4°
O2	C2	C3	110.4°	107.9°
O2	C2	H2	109.0°	107.4°
C2	O2	HO2	109.5°	106.6°
C3	C2	H2	107.8°	111.3°
C2	C3	O3	109.6°	109.6°
C2	C3	C4	114.2°	116.7°
C2	C3	H3	106.1°	108.4°
O3	C3	C4	109.7°	107.9°
O3	C3	H3	111.0°	105.2°
C3	O3	HO3	109.5°	106.1°
C4	C3	H3	106.0°	108.4°
C3	C4	O4	109.6°	109.9°
C3	C4	C5	112.1°	115.5°
C3	C4	H4	107.6°	109.1°
O4	C4	C5	109.3°	107.3°
O4	C4	H4	110.4°	105.2°
C4	O4	HO4	109.5°	106.2°
C5	C4	H4	107.8°	109.4°
C4	C5	O5	109.8°	107.9°
C4	C5	C6	109.4°	114.0°
C4	C5	H5	109.3°	111.2°
O5	C5	C6	109.4°	107.0°
O5	C5	H5	109.3°	105.8°
C5	O5	HO5	109.5°	106.0°
C6	C5	H5	109.7°	110.4°
C5	C6	O6	109.6°	108.8°
C5	C6	H61	109.4°	112.0°
C5	C6	H62	109.4°	111.1°
O6	C6	H61	109.4°	107.4°
O6	C6	H62	109.4°	107.8°
C6	O6	HO6	109.5°	106.5°
H61	C6	H62	109.6°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H1	180.0°	178.5°
O1	C1	C2	O2	47.7°	4.1°
O1	C1	C2	C3	170.5°	115.5°
O1	C1	C2	H2	71.3°	120.0°
C1	C2	O2	C3	123.3°	123.3°
C1	C2	O2	H2	118.5°	116.6°
C1	C2	C3	H2	118.4°	122.9°
C1	C2	O2	HO2	120.3°	88.5°
C1	C2	C3	O3	164.3°	65.7°
C1	C2	C3	C4	40.7°	57.3°
C1	C2	C3	H3	75.8°	180.0°
H1	C1	C2	O2	132.3°	174.4°
H1	C1	C2	C3	9.4°	66.0°
H1	C1	C2	H2	108.7°	58.5°
O2	C2	C3	H2	119.0°	117.6°
O2	C2	C3	O3	41.6°	53.8°
O2	C2	C3	C4	82.0°	176.7°
O2	C2	C3	H3	161.5°	60.6°
C3	C2	O2	HO2	3.0°	148.1°
C2	C3	O3	C4	126.3°	128.0°
C2	C3	O3	H3	116.9°	116.4°
C2	C3	C4	H3	116.5°	122.7°
C2	C3	O3	HO3	120.6°	39.1°
C2	C3	C4	O4	170.4°	54.9°
C2	C3	C4	C5	68.0°	176.4°
C2	C3	C4	H4	50.3°	60.0°
H2	C2	O2	HO2	121.2°	28.0°
H2	C2	C3	O3	77.3°	171.4°
H2	C2	C3	C4	159.0°	65.7°
H2	C2	C3	H3	42.6°	57.1°
O3	C3	C4	H3	119.9°	113.4°
O3	C3	C4	O4	66.0°	178.8°
O3	C3	C4	C5	55.5°	59.8°
O3	C3	C4	H4	173.9°	63.9°
C4	C3	O3	HO3	5.7°	167.2°
C3	C4	O4	C5	123.2°	126.3°
C3	C4	O4	H4	118.3°	117.3°
C3	C4	C5	H4	118.2°	123.4°
C3	C4	O4	HO4	62.2°	76.6°
C3	C4	C5	O5	69.9°	64.7°
C3	C4	C5	C6	170.0°	176.6°
C3	C4	C5	H5	50.0°	50.9°
H3	C3	O3	HO3	122.6°	77.2°
H3	C3	C4	O4	53.9°	67.8°
H3	C3	C4	C5	175.5°	53.7°
H3	C3	C4	H4	66.2°	177.3°
O4	C4	C5	H4	120.1°	113.6°
O4	C4	C5	O5	168.4°	172.4°
O4	C4	C5	C6	48.3°	53.6°
O4	C4	C5	H5	71.8°	72.0°
C5	C4	O4	HO4	174.6°	49.7°
C4	C5	O5	C6	120.1°	123.1°
C4	C5	O5	H5	119.8°	119.1°
C4	C5	C6	H5	119.8°	126.0°
C4	C5	O5	HO5	178.5°	39.1°
C4	C5	C6	O6	59.1°	178.6°
C4	C5	C6	H61	179.1°	60.0°
C4	C5	C6	H62	60.9°	62.9°
H4	C4	O4	HO4	56.1°	166.1°
H4	C4	C5	O5	48.3°	58.7°
H4	C4	C5	C6	71.7°	60.0°
H4	C4	C5	H5	168.2°	174.4°
O5	C5	C6	H5	119.8°	114.7°
O5	C5	C6	O6	61.3°	59.3°
O5	C5	C6	H61	58.7°	59.2°
O5	C5	C6	H62	178.8°	177.9°
C6	C5	O5	HO5	61.4°	84.0°
C5	C6	O6	H61	120.0°	121.4°
C5	C6	O6	H62	119.9°	120.6°
C5	C6	H61	H62	119.9°	123.7°
C5	C6	O6	HO6	12.5°	8.2°
H5	C5	O5	HO5	58.6°	158.2°
H5	C5	C6	O6	178.9°	55.4°
H5	C5	C6	H61	61.1°	174.0°
H5	C5	C6	H62	59.0°	63.1°
O6	C6	H61	H62	120.0°	116.9°
H61	C6	O6	HO6	132.5°	129.6°
H62	C6	O6	HO6	107.4°	112.3°

Definition date:	2006-08-25
Last modified:	2020-06-24
Release status:	REL
Processing site:	RCSB
Derived from:	2I57