3HD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.11Å
C1	HC1	sing	1.09Å	1.11Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.10Å
O3	CH3	sing	1.43Å	1.42Å
CH3	H31	sing	1.09Å	1.10Å
CH3	H32	sing	1.09Å	1.10Å
CH3	H33	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.52Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.42Å
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)
C2	C1	O5	110.3°	109.8°
C2	C1	H1	111.9°	109.4°
C2	C1	HC1	111.9°	109.4°
C1	C2	O2	109.6°	109.6°
C1	C2	C3	110.2°	109.0°
C1	C2	H2	109.0°	109.5°
O5	C1	H1	111.9°	109.5°
O5	C1	HC1	111.9°	109.4°
C1	O5	C5	112.1°	107.6°
H1	C1	HC1	98.5°	109.4°
O2	C2	C3	109.5°	109.6°
O2	C2	H2	109.6°	109.5°
C2	O2	HO2	109.5°	106.8°
C3	C2	H2	109.0°	109.6°
C2	C3	O3	109.7°	109.6°
C2	C3	C4	109.9°	108.8°
C2	C3	H3	109.1°	109.6°
O3	C3	C4	109.5°	109.6°
O3	C3	H3	109.4°	109.6°
C3	O3	CH3	110.8°	106.8°
C4	C3	H3	109.2°	109.6°
C3	C4	O4	109.6°	109.8°
C3	C4	C5	110.2°	109.0°
C3	C4	H4	108.9°	109.3°
O3	CH3	H31	109.5°	109.4°
O3	CH3	H32	109.5°	109.4°
O3	CH3	H33	109.5°	109.5°
H31	CH3	H32	109.5°	109.5°
H31	CH3	H33	109.4°	109.5°
H32	CH3	H33	109.5°	109.5°
O4	C4	C5	109.6°	109.6°
O4	C4	H4	109.6°	109.5°
C4	O4	HO4	109.5°	106.8°
C5	C4	H4	109.0°	109.6°
C4	C5	O5	110.1°	110.0°
C4	C5	C6	112.4°	109.4°
C4	C5	H5	106.3°	109.3°
O5	C5	C6	107.1°	109.4°
O5	C5	H5	111.6°	109.4°
C6	C5	H5	109.4°	109.4°
C5	C6	O6	111.2°	109.5°
C5	C6	H61	108.5°	109.5°
C5	C6	H62	108.9°	109.4°
O6	C6	H61	108.5°	109.5°
O6	C6	H62	108.9°	109.5°
C6	O6	HO6	109.5°	106.7°
H61	C6	H62	110.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	H1	125.3°	120.1°
C2	C1	O5	HC1	125.3°	120.1°
C2	C1	H1	HC1	117.8°	119.8°
C1	C2	O2	C3	120.9°	119.6°
C1	C2	O2	H2	119.5°	120.2°
C1	C2	C3	H2	119.5°	119.9°
C1	C2	O2	HO2	49.5°	60.3°
C1	C2	C3	O3	174.0°	173.4°
C1	C2	C3	C4	53.5°	53.6°
C1	C2	C3	H3	66.2°	66.2°
C2	C1	O5	C5	61.7°	67.6°
O5	C1	H1	HC1	117.8°	119.8°
O5	C1	C2	O2	63.4°	58.7°
O5	C1	C2	C3	57.1°	61.2°
O5	C1	C2	H2	176.6°	178.8°
C1	O5	C5	C4	61.6°	67.5°
C1	O5	C5	C6	175.9°	172.4°
C1	O5	C5	H5	56.2°	52.5°
H1	C1	C2	O2	171.3°	61.5°
H1	C1	C2	C3	68.2°	178.6°
H1	C1	C2	H2	51.4°	58.7°
H1	C1	O5	C5	63.6°	172.3°
HC1	C1	C2	O2	61.8°	178.8°
HC1	C1	C2	C3	177.7°	58.8°
HC1	C1	C2	H2	58.1°	61.1°
HC1	C1	O5	C5	173.1°	52.5°
O2	C2	C3	H2	119.9°	120.1°
O2	C2	C3	O3	53.4°	53.5°
O2	C2	C3	C4	67.0°	66.4°
O2	C2	C3	H3	173.3°	173.8°
C3	C2	O2	HO2	170.4°	180.0°
C2	C3	O3	C4	120.7°	119.3°
C2	C3	O3	H3	119.6°	120.3°
C2	C3	C4	H3	119.6°	119.8°
C2	C3	O3	CH3	66.8°	90.3°
C2	C3	C4	O4	174.2°	173.5°
C2	C3	C4	C5	53.6°	53.4°
C2	C3	C4	H4	65.9°	66.3°
H2	C2	O2	HO2	70.0°	59.8°
H2	C2	C3	O3	66.5°	66.7°
H2	C2	C3	C4	173.0°	173.5°
H2	C2	C3	H3	53.3°	53.7°
O3	C3	C4	H3	119.8°	120.4°
C3	O3	CH3	H31	110.9°	180.0°
C3	O3	CH3	H32	9.2°	60.0°
C3	O3	CH3	H33	129.2°	60.0°
O3	C3	C4	O4	65.2°	66.7°
O3	C3	C4	C5	174.1°	173.3°
O3	C3	C4	H4	54.6°	53.5°
C4	C3	O3	CH3	172.5°	150.4°
C3	C4	O4	C5	121.0°	119.7°
C3	C4	O4	H4	119.5°	120.1°
C3	C4	C5	H4	119.5°	119.6°
C3	C4	O4	HO4	48.1°	179.7°
C3	C4	C5	O5	56.9°	61.0°
C3	C4	C5	C6	176.2°	178.8°
C3	C4	C5	H5	64.2°	59.1°
H3	C3	O3	CH3	52.8°	30.0°
H3	C3	C4	O4	54.6°	53.7°
H3	C3	C4	C5	66.0°	66.3°
H3	C3	C4	H4	174.5°	173.9°
O3	CH3	H31	H32	120.0°	120.0°
O3	CH3	H31	H33	120.0°	120.0°
O3	CH3	H32	H33	120.0°	120.0°
H31	CH3	H32	H33	120.0°	120.0°
O4	C4	C5	H4	119.9°	120.2°
O4	C4	C5	O5	177.6°	178.8°
O4	C4	C5	C6	63.1°	58.6°
O4	C4	C5	H5	56.5°	61.1°
C5	C4	O4	HO4	169.1°	60.0°
C4	C5	O5	C6	122.5°	120.1°
C4	C5	O5	H5	117.8°	120.0°
C4	C5	C6	H5	117.8°	119.6°
C4	C5	C6	O6	63.8°	174.5°
C4	C5	C6	H61	176.9°	54.5°
C4	C5	C6	H62	56.2°	65.5°
H4	C4	O4	HO4	71.4°	60.2°
H4	C4	C5	O5	62.6°	58.6°
H4	C4	C5	C6	56.8°	61.6°
H4	C4	C5	H5	176.4°	178.7°
O5	C5	C6	H5	121.1°	119.9°
O5	C5	C6	O6	175.1°	65.0°
O5	C5	C6	H61	55.9°	175.0°
O5	C5	C6	H62	64.9°	55.0°
C5	C6	O6	H61	119.3°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C5	C6	H61	H62	119.5°	120.0°
C5	C6	O6	HO6	48.4°	180.0°
H5	C5	C6	O6	54.0°	54.9°
H5	C5	C6	H61	65.3°	65.1°
H5	C5	C6	H62	174.0°	174.9°
O6	C6	H61	H62	119.5°	120.0°
H61	C6	O6	HO6	167.7°	60.0°
H62	C6	O6	HO6	71.6°	60.0°

Definition date:	2006-06-30
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB