H1M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C9	sing	1.43Å	1.45Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C9	H9B	sing	1.09Å	1.10Å
C1	O1	sing	1.43Å	1.41Å
C2	C1	sing	1.53Å	1.55Å
C1	O5	sing	1.43Å	1.45Å
C1	H1	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.54Å
C7	C2	sing	1.53Å	1.54Å
C2	H2	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.53Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
O8	C8	sing	1.43Å	1.44Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
O3	C3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
O4	C4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.52Å
C5	O5	sing	1.43Å	1.45Å
C5	H5	sing	1.09Å	1.10Å
O6	C6	sing	1.43Å	1.44Å
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	C9	H9	109.5°	109.5°
O1	C9	H9A	109.5°	109.5°
O1	C9	H9B	109.5°	109.4°
C9	O1	C1	117.7°	114.0°
H9	C9	H9A	109.5°	109.5°
H9	C9	H9B	109.5°	109.5°
H9A	C9	H9B	109.5°	109.5°
O1	C1	C2	110.8°	109.5°
O1	C1	O5	109.6°	109.5°
O1	C1	H1	108.6°	109.5°
C2	C1	O5	109.8°	109.4°
C2	C1	H1	108.4°	109.5°
C1	C2	C3	108.1°	109.2°
C1	C2	C7	109.4°	109.5°
C1	C2	H2	111.0°	109.6°
O5	C1	H1	109.6°	109.5°
C1	O5	C5	112.6°	114.1°
C3	C2	C7	111.2°	109.5°
C3	C2	H2	109.2°	109.5°
C2	C3	O3	109.2°	109.6°
C2	C3	C4	108.8°	109.0°
C2	C3	H3	109.3°	109.5°
C7	C2	H2	108.0°	109.5°
C2	C7	C8	110.7°	109.4°
C2	C7	H7	109.1°	109.5°
C2	C7	H7A	108.8°	109.5°
C8	C7	H7	109.1°	109.4°
C8	C7	H7A	108.8°	109.5°
C7	C8	O8	109.5°	109.5°
C7	C8	H8	109.5°	109.5°
C7	C8	H8A	109.4°	109.5°
H7	C7	H7A	110.4°	109.5°
O8	C8	H8	109.5°	109.5°
O8	C8	H8A	109.5°	109.4°
C8	O8	HO8	109.5°	114.0°
H8	C8	H8A	109.5°	109.5°
O3	C3	C4	107.2°	109.6°
O3	C3	H3	110.9°	109.6°
C3	O3	HO3	109.5°	114.0°
C4	C3	H3	111.3°	109.5°
C3	C4	O4	108.5°	109.5°
C3	C4	C5	109.0°	109.2°
C3	C4	H4	110.2°	109.5°
O4	C4	C5	108.7°	109.5°
O4	C4	H4	110.4°	109.6°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	110.0°	109.5°
C4	C5	C6	110.3°	109.5°
C4	C5	O5	109.6°	109.4°
C4	C5	H5	107.9°	109.5°
C6	C5	O5	106.5°	109.5°
C6	C5	H5	110.9°	109.4°
C5	C6	O6	109.0°	109.5°
C5	C6	H61	109.6°	109.5°
C5	C6	H62	109.7°	109.5°
O5	C5	H5	111.6°	109.5°
O6	C6	H61	109.6°	109.5°
O6	C6	H62	109.7°	109.4°
C6	O6	HO6	109.5°	114.0°
H61	C6	H62	109.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C9	H9	H9A	120.0°	120.0°
O1	C9	H9	H9B	120.0°	119.9°
O1	C9	H9A	H9B	120.0°	119.9°
C9	O1	C1	C2	174.7°	170.1°
C9	O1	C1	O5	64.0°	70.0°
C9	O1	C1	H1	55.8°	50.1°
H9	C9	H9A	H9B	120.0°	120.0°
H9	C9	O1	C1	20.4°	180.0°
H9A	C9	O1	C1	140.4°	59.9°
H9B	C9	O1	C1	99.6°	60.0°
O1	C1	C2	O5	121.2°	120.0°
O1	C1	C2	H1	119.1°	120.0°
O1	C1	O5	H1	119.1°	120.0°
O1	C1	C2	C3	62.4°	62.5°
O1	C1	C2	C7	176.3°	177.7°
O1	C1	C2	H2	57.3°	57.5°
O1	C1	O5	C5	61.1°	58.8°
C2	C1	O5	H1	119.0°	120.0°
C1	C2	C3	C7	120.1°	119.9°
C1	C2	C3	H2	120.9°	120.0°
C1	C2	C7	H2	120.9°	120.2°
C1	C2	C7	C8	78.7°	65.0°
C1	C2	C7	H7	41.3°	54.9°
C1	C2	C7	H7A	161.8°	175.0°
C1	C2	C3	O3	175.5°	176.8°
C1	C2	C3	C4	58.7°	56.9°
C1	C2	C3	H3	63.0°	62.9°
C2	C1	O5	C5	60.8°	61.2°
O5	C1	C2	C3	58.7°	57.6°
O5	C1	C2	C7	62.5°	62.3°
O5	C1	C2	H2	178.5°	177.5°
C1	O5	C5	C4	60.7°	61.2°
C1	O5	C5	C6	179.9°	178.8°
C1	O5	C5	H5	58.7°	58.8°
H1	C1	C2	C3	178.5°	177.6°
H1	C1	C2	C7	57.2°	57.7°
H1	C1	C2	H2	61.8°	62.5°
H1	C1	O5	C5	179.8°	178.8°
C3	C2	C7	H2	119.7°	120.1°
C3	C2	C7	C8	161.9°	175.3°
C3	C2	C7	H7	78.1°	64.8°
C3	C2	C7	H7A	42.4°	55.3°
C2	C3	O3	C4	117.8°	119.6°
C2	C3	O3	H3	120.5°	120.2°
C2	C3	C4	H3	120.5°	119.8°
C2	C3	O3	HO3	141.1°	180.0°
C2	C3	C4	O4	177.4°	176.9°
C2	C3	C4	C5	59.2°	56.9°
C2	C3	C4	H4	61.5°	63.0°
C2	C7	C8	H7	120.0°	119.9°
C2	C7	C8	H7A	119.5°	120.0°
C2	C7	H7	H7A	119.5°	120.0°
C2	C7	C8	O8	177.3°	180.0°
C2	C7	C8	H8	57.3°	60.0°
C2	C7	C8	H8A	62.7°	60.0°
C7	C2	C3	O3	55.4°	56.9°
C7	C2	C3	C4	61.4°	63.0°
C7	C2	C3	H3	176.8°	177.2°
H2	C2	C7	C8	42.2°	55.2°
H2	C2	C7	H7	162.2°	175.1°
H2	C2	C7	H7A	77.3°	64.8°
H2	C2	C3	O3	63.6°	63.2°
H2	C2	C3	C4	179.6°	176.9°
H2	C2	C3	H3	57.8°	57.0°
C8	C7	H7	H7A	119.5°	120.0°
C7	C8	O8	H8	120.0°	120.0°
C7	C8	O8	H8A	120.0°	120.0°
C7	C8	H8	H8A	120.0°	120.0°
C7	C8	O8	HO8	57.2°	180.0°
H7	C7	C8	O8	62.7°	60.0°
H7	C7	C8	H8	177.3°	180.0°
H7	C7	C8	H8A	57.3°	60.0°
H7A	C7	C8	O8	57.8°	60.0°
H7A	C7	C8	H8	62.2°	60.0°
H7A	C7	C8	H8A	177.8°	180.0°
O8	C8	H8	H8A	120.0°	120.0°
H8	C8	O8	HO8	62.8°	60.0°
H8A	C8	O8	HO8	177.2°	60.0°
O3	C3	C4	H3	121.4°	120.3°
O3	C3	C4	O4	64.5°	63.2°
O3	C3	C4	C5	177.2°	176.9°
O3	C3	C4	H4	56.5°	56.9°
C4	C3	O3	HO3	101.1°	60.5°
C3	C4	O4	C5	118.4°	119.7°
C3	C4	O4	H4	120.9°	120.1°
C3	C4	C5	H4	120.9°	119.9°
C3	C4	O4	HO4	91.2°	180.0°
C3	C4	C5	C6	176.0°	177.6°
C3	C4	C5	O5	59.0°	57.6°
C3	C4	C5	H5	62.7°	62.4°
H3	C3	O3	HO3	20.5°	59.8°
H3	C3	C4	O4	56.9°	57.0°
H3	C3	C4	C5	61.4°	62.9°
H3	C3	C4	H4	177.9°	177.2°
O4	C4	C5	H4	121.0°	120.2°
O4	C4	C5	C6	65.9°	62.5°
O4	C4	C5	O5	177.1°	177.5°
O4	C4	C5	H5	55.4°	57.5°
C5	C4	O4	HO4	27.1°	60.3°
C4	C5	C6	O5	118.9°	119.9°
C4	C5	C6	H5	119.5°	120.0°
C4	C5	O5	H5	119.5°	120.0°
C4	C5	C6	O6	64.2°	175.0°
C4	C5	C6	H61	175.8°	55.0°
C4	C5	C6	H62	56.0°	65.0°
H4	C4	O4	HO4	147.9°	59.9°
H4	C4	C5	C6	55.2°	57.7°
H4	C4	C5	O5	61.8°	62.3°
H4	C4	C5	H5	176.5°	177.7°
C6	C5	O5	H5	121.2°	120.0°
C5	C6	O6	H61	120.0°	120.1°
C5	C6	O6	H62	120.2°	120.0°
C5	C6	H61	H62	120.2°	120.0°
C5	C6	O6	HO6	76.4°	180.0°
O5	C5	C6	O6	54.7°	65.0°
O5	C5	C6	H61	65.2°	174.9°
O5	C5	C6	H62	174.9°	54.9°
H5	C5	C6	O6	176.4°	55.0°
H5	C5	C6	H61	56.4°	65.0°
H5	C5	C6	H62	63.5°	175.0°
O6	C6	H61	H62	120.2°	119.9°
H61	C6	O6	HO6	163.7°	60.0°
H62	C6	O6	HO6	43.8°	60.0°

Definition date:	2008-05-19
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	3D4K