2M8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.43Å
O1	C22	sing	1.43Å	1.43Å
C22	C23	sing	1.53Å	1.52Å
C22	C21	sing	1.51Å	1.50Å
C23	O13	sing	1.43Å	1.43Å
C21	O1A	doub	1.21Å	1.25Å
C21	O1B	sing	1.34Å	1.25Å
C2	O2	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.52Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.51Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.44Å
C6	O6	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C22	H22	sing	1.09Å	1.10Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
O13	H13	sing	0.97Å	0.95Å
O1B	H1B	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	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	109.5°	109.5°
O1	C1	O5	110.6°	109.5°
C1	O1	C22	114.5°	114.0°
O1	C1	H1	109.3°	109.5°
C2	C1	O5	111.3°	109.4°
C1	C2	O2	108.8°	109.6°
C1	C2	C3	111.3°	109.1°
C2	C1	H1	108.6°	109.5°
C1	C2	H2	108.0°	109.6°
C1	O5	C5	116.7°	114.1°
O5	C1	H1	107.5°	109.5°
O1	C22	C23	108.9°	109.5°
O1	C22	C21	111.9°	109.5°
O1	C22	H22	108.0°	109.5°
C23	C22	C21	108.8°	109.4°
C22	C23	O13	108.1°	109.5°
C23	C22	H22	111.2°	109.5°
C22	C23	H231	109.9°	109.5°
C22	C23	H232	109.9°	109.5°
C22	C21	O1A	117.0°	120.0°
C22	C21	O1B	116.5°	120.0°
C21	C22	H22	108.2°	109.4°
O13	C23	H231	109.9°	109.4°
O13	C23	H232	109.9°	109.5°
C23	O13	H13	109.5°	114.0°
O1A	C21	O1B	120.1°	120.0°
C21	O1B	H1B	109.5°	117.0°
O2	C2	C3	107.4°	109.5°
O2	C2	H2	111.9°	109.5°
C2	O2	HO2	109.5°	114.0°
C2	C3	O3	109.5°	109.5°
C2	C3	C4	108.8°	109.1°
C3	C2	H2	109.4°	109.5°
C2	C3	H3	109.1°	109.6°
O3	C3	C4	106.8°	109.5°
O3	C3	H3	111.0°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	112.2°	109.5°
C3	C4	C5	109.7°	109.1°
C4	C3	H3	111.7°	109.6°
C3	C4	H4	107.0°	109.6°
O4	C4	C5	108.0°	109.5°
O4	C4	H4	108.7°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	C6	108.7°	109.5°
C4	C5	O5	111.4°	109.4°
C5	C4	H4	111.3°	109.6°
C4	C5	H5	109.0°	109.5°
C6	C5	O5	110.3°	109.5°
C5	C6	O6	109.9°	109.5°
C6	C5	H5	110.1°	109.5°
C5	C6	H61	109.3°	109.4°
C5	C6	H62	109.3°	109.4°
O5	C5	H5	107.3°	109.5°
O6	C6	H61	109.4°	109.5°
O6	C6	H62	109.4°	109.5°
C6	O6	HO6	109.5°	114.1°
H231	C23	H232	109.0°	109.4°
H61	C6	H62	109.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	122.6°	120.0°
O1	C1	C2	H1	119.3°	120.0°
O1	C1	O5	H1	119.2°	120.1°
C1	O1	C22	C23	166.4°	150.0°
C1	O1	C22	C21	73.4°	90.0°
O1	C1	C2	O2	171.1°	177.8°
O1	C1	C2	C3	70.7°	62.4°
O1	C1	O5	C5	71.2°	58.8°
O1	C1	C2	H2	49.4°	57.6°
C1	O1	C22	H22	45.6°	30.0°
C2	C1	O5	H1	118.8°	120.0°
C2	C1	O1	C22	155.3°	170.0°
C1	C2	O2	C3	120.6°	119.6°
C1	C2	O2	H2	119.3°	120.2°
C1	C2	C3	H2	119.3°	120.0°
C1	C2	C3	O3	172.9°	176.8°
C1	C2	C3	C4	56.6°	57.0°
C2	C1	O5	C5	50.8°	61.2°
C1	C2	O2	HO2	180.0°	60.0°
C1	C2	C3	H3	65.5°	63.0°
O5	C1	O1	C22	32.3°	70.1°
O5	C1	C2	O2	66.3°	62.3°
O5	C1	C2	C3	51.9°	57.6°
C1	O5	C5	C4	53.3°	61.2°
C1	O5	C5	C6	174.1°	178.9°
O5	C1	C2	H2	172.0°	177.5°
C1	O5	C5	H5	66.0°	58.8°
O1	C22	C23	C21	122.1°	120.0°
O1	C22	C23	H22	118.9°	120.1°
O1	C22	C21	H22	118.9°	120.1°
O1	C22	C23	O13	68.8°	64.9°
O1	C22	C21	O1A	32.5°	5.0°
O1	C22	C21	O1B	175.6°	175.0°
C22	O1	C1	H1	85.8°	50.0°
O1	C22	C23	H231	51.2°	55.0°
O1	C22	C23	H232	171.2°	175.0°
C23	C22	C21	H22	120.8°	120.0°
C22	C23	O13	H231	120.0°	120.0°
C22	C23	O13	H232	120.0°	120.1°
C23	C22	C21	O1A	87.8°	115.0°
C23	C22	C21	O1B	64.1°	65.0°
C22	C23	H231	H232	120.6°	120.0°
C22	C23	O13	H13	19.0°	180.0°
C21	C22	C23	O13	53.4°	55.0°
C22	C21	O1A	O1B	150.9°	179.9°
C21	C22	C23	H231	173.3°	175.0°
C21	C22	C23	H232	66.6°	65.0°
C22	C21	O1B	H1B	151.1°	180.0°
O13	C23	C22	H22	172.4°	175.0°
O13	C23	H231	H232	120.5°	120.0°
O1A	C21	C22	H22	151.3°	125.1°
O1A	C21	O1B	H1B	0.0°	0.1°
O1B	C21	C22	H22	56.7°	55.0°
O2	C2	C3	H2	121.7°	120.1°
O2	C2	C3	O3	53.9°	56.9°
O2	C2	C3	C4	62.5°	62.9°
O2	C2	C1	H1	51.8°	57.7°
O2	C2	C3	H3	175.5°	177.1°
C2	C3	O3	C4	117.6°	119.5°
C2	C3	O3	H3	120.5°	120.2°
C2	C3	C4	H3	120.4°	120.0°
C2	C3	C4	O4	178.1°	176.9°
C2	C3	C4	C5	58.1°	57.0°
C3	C2	C1	H1	170.0°	177.6°
C3	C2	O2	HO2	59.4°	179.6°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	H4	62.7°	62.9°
O3	C3	C4	H3	121.5°	120.2°
O3	C3	C4	O4	63.8°	63.3°
O3	C3	C4	C5	176.2°	176.9°
O3	C3	C2	H2	67.8°	63.2°
O3	C3	C4	H4	55.3°	56.9°
C3	C4	O4	C5	121.0°	119.6°
C3	C4	O4	H4	118.1°	120.2°
C3	C4	C5	H4	118.2°	120.0°
C3	C4	C5	C6	177.4°	177.6°
C3	C4	C5	O5	55.7°	57.7°
C4	C3	C2	H2	175.9°	177.0°
C4	C3	O3	HO3	62.3°	179.6°
C3	C4	O4	HO4	180.0°	60.1°
C3	C4	C5	H5	62.6°	62.4°
O4	C4	C5	H4	119.3°	120.2°
O4	C4	C5	C6	60.0°	62.5°
O4	C4	C5	O5	178.2°	177.5°
O4	C4	C3	H3	57.7°	56.9°
O4	C4	C5	H5	60.0°	57.5°
C4	C5	C6	O5	122.4°	119.9°
C4	C5	C6	H5	119.4°	120.1°
C4	C5	O5	H5	119.3°	120.0°
C4	C5	C6	O6	167.7°	175.0°
C5	C4	C3	H3	62.3°	63.0°
C5	C4	O4	HO4	59.0°	179.7°
C4	C5	C6	H61	47.7°	55.0°
C4	C5	C6	H62	72.3°	65.0°
C6	C5	O5	H5	119.9°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C6	C5	C4	H4	59.2°	57.6°
C5	C6	H61	H62	119.8°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	69.9°	65.1°
C5	O5	C1	H1	169.6°	178.8°
O5	C5	C4	H4	62.5°	62.3°
O5	C5	C6	H61	170.1°	174.9°
O5	C5	C6	H62	50.1°	54.9°
O6	C6	C5	H5	48.3°	55.0°
O6	C6	H61	H62	119.9°	120.0°
H1	C1	C2	H2	69.9°	62.5°
H2	C2	O2	HO2	60.7°	60.2°
H2	C2	C3	H3	53.8°	57.0°
H22	C22	C23	H231	67.7°	65.0°
H22	C22	C23	H232	52.4°	54.9°
H231	C23	O13	H13	139.0°	60.0°
H232	C23	O13	H13	101.0°	59.9°
H3	C3	O3	HO3	59.6°	60.2°
H3	C3	C4	H4	176.8°	177.1°
H4	C4	O4	HO4	61.9°	60.1°
H4	C4	C5	H5	179.2°	177.7°
H5	C5	C6	H61	71.7°	65.0°
H5	C5	C6	H62	168.3°	175.0°
H61	C6	O6	HO6	60.0°	60.1°
H62	C6	O6	HO6	60.0°	60.0°

Definition date:	2011-07-14
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	3ZU6