CDR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.43Å
O1	HO1	sing	0.97Å	0.95Å
C1	C2	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.54Å
C2	H2	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.57Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	HO1	109.5°	114.0°
O1	C1	C2	105.3°	109.5°
O1	C1	O5	112.9°	109.5°
O1	C1	H1	109.9°	109.5°
C2	C1	O5	110.3°	109.4°
C2	C1	H1	108.5°	109.5°
C1	C2	C3	111.1°	109.2°
C1	C2	H2	109.1°	109.5°
C1	C2	H22	109.1°	109.6°
O5	C1	H1	109.9°	109.5°
C1	O5	C5	113.7°	114.1°
C3	C2	H2	109.1°	109.5°
C3	C2	H22	109.1°	109.5°
C2	C3	C4	104.2°	109.0°
C2	C3	H3	110.8°	109.5°
C2	C3	H32	110.8°	109.6°
H2	C2	H22	109.5°	109.5°
C4	C3	H3	110.8°	109.5°
C4	C3	H32	110.8°	109.6°
C3	C4	O4	106.5°	109.6°
C3	C4	C5	106.9°	109.2°
C3	C4	H4	110.8°	109.5°
H3	C3	H32	109.5°	109.6°
O4	C4	C5	109.1°	109.5°
O4	C4	H4	112.8°	109.5°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	110.5°	109.5°
C4	C5	O5	107.1°	109.4°
C4	C5	C6	106.2°	109.5°
C4	C5	H5	109.6°	109.5°
O5	C5	C6	112.4°	109.5°
O5	C5	H5	111.5°	109.5°
C6	C5	H5	109.8°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.4°	109.4°
C5	C6	H63	109.5°	109.5°
H61	C6	H62	109.5°	109.4°
H61	C6	H63	109.5°	109.5°
H62	C6	H63	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	122.1°	120.0°
O1	C1	C2	H1	117.6°	120.0°
O1	C1	O5	H1	123.0°	120.1°
O1	C1	C2	C3	177.7°	177.6°
O1	C1	C2	H2	62.1°	62.5°
O1	C1	C2	H22	57.5°	57.7°
O1	C1	O5	C5	175.0°	178.9°
HO1	O1	C1	C2	180.0°	180.0°
HO1	O1	C1	O5	59.6°	60.1°
HO1	O1	C1	H1	63.4°	60.0°
C2	C1	O5	H1	119.5°	120.0°
C1	C2	C3	H2	120.2°	119.9°
C1	C2	C3	H22	120.2°	120.0°
C1	C2	H2	H22	119.3°	120.2°
C1	C2	C3	C4	59.7°	56.9°
C1	C2	C3	H3	59.5°	62.9°
C1	C2	C3	H32	178.8°	176.9°
C2	C1	O5	C5	57.5°	61.2°
O5	C1	C2	C3	55.6°	57.6°
O5	C1	C2	H2	175.9°	177.5°
O5	C1	C2	H22	64.6°	62.3°
C1	O5	C5	C4	63.1°	61.2°
C1	O5	C5	C6	179.3°	178.9°
C1	O5	C5	H5	56.8°	58.8°
H1	C1	C2	C3	64.7°	62.4°
H1	C1	C2	H2	55.5°	57.5°
H1	C1	C2	H22	175.1°	177.7°
H1	C1	O5	C5	62.0°	58.8°
C3	C2	H2	H22	119.3°	120.1°
C2	C3	C4	H3	119.1°	119.8°
C2	C3	C4	H32	119.2°	119.9°
C2	C3	H3	H32	122.5°	120.3°
C2	C3	C4	O4	179.0°	176.9°
C2	C3	C4	C5	64.4°	56.9°
C2	C3	C4	H4	56.1°	63.0°
H2	C2	C3	C4	179.9°	176.9°
H2	C2	C3	H3	60.8°	57.1°
H2	C2	C3	H32	60.9°	63.2°
H22	C2	C3	C4	60.5°	63.0°
H22	C2	C3	H3	179.7°	177.1°
H22	C2	C3	H32	58.6°	56.9°
C4	C3	H3	H32	122.4°	120.2°
C3	C4	O4	C5	115.0°	119.8°
C3	C4	O4	H4	121.7°	120.1°
C3	C4	C5	H4	120.6°	120.0°
C3	C4	O4	HO4	180.0°	59.9°
C3	C4	C5	O5	66.6°	57.6°
C3	C4	C5	C6	173.0°	177.6°
C3	C4	C5	H5	54.5°	62.3°
H3	C3	C4	O4	61.9°	57.1°
H3	C3	C4	C5	54.7°	62.8°
H3	C3	C4	H4	175.2°	177.2°
H32	C3	C4	O4	59.8°	63.2°
H32	C3	C4	C5	176.4°	176.9°
H32	C3	C4	H4	63.1°	56.9°
O4	C4	C5	H4	124.6°	120.1°
O4	C4	C5	O5	178.6°	177.6°
O4	C4	C5	C6	58.2°	62.5°
O4	C4	C5	H5	60.3°	57.6°
C5	C4	O4	HO4	64.9°	179.7°
C4	C5	O5	C6	116.3°	120.0°
C4	C5	O5	H5	119.8°	119.9°
C4	C5	C6	H5	118.4°	120.0°
C4	C5	C6	H61	180.0°	60.0°
C4	C5	C6	H62	60.0°	179.9°
C4	C5	C6	H63	60.0°	60.0°
H4	C4	O4	HO4	58.3°	60.2°
H4	C4	C5	O5	54.0°	62.4°
H4	C4	C5	C6	66.3°	57.6°
H4	C4	C5	H5	175.1°	177.7°
O5	C5	C6	H5	124.8°	120.0°
O5	C5	C6	H61	63.2°	59.9°
O5	C5	C6	H62	176.8°	60.0°
O5	C5	C6	H63	56.8°	180.0°
C5	C6	H61	H62	120.0°	119.9°
C5	C6	H61	H63	120.0°	120.1°
C5	C6	H62	H63	120.0°	120.0°
H5	C5	C6	H61	61.6°	179.9°
H5	C5	C6	H62	58.4°	60.0°
H5	C5	C6	H63	178.4°	60.0°
H61	C6	H62	H63	120.0°	120.0°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1D83