9MR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	sing	1.43Å	1.42Å
O2	HO2	sing	0.97Å	0.95Å
C2	C1	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.10Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.10Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	C5	sing	1.53Å	1.53Å
C4	O4	sing	1.42Å	1.44Å
C4	H4	sing	1.10Å	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	1.10Å	1.10Å
C6	O6	sing	1.42Å	1.44Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
O5	C1	sing	1.43Å	1.43Å
C1	O1	sing	1.43Å	1.42Å
C1	H1	sing	1.10Å	1.10Å
O1	C3A	sing	1.43Å	1.43Å
C3A	C2A	sing	1.54Å	1.52Å
C3A	C4A	sing	1.53Å	1.53Å
C3A	H3A	sing	1.10Å	1.10Å
C4A	C5M	sing	1.53Å	1.52Å
C4A	O4A	sing	1.43Å	1.42Å
C4A	H4A	sing	1.10Å	1.10Å
O4A	HO4A	sing	0.97Å	0.95Å
C5M	N5A	sing	1.46Å	1.48Å
C5M	H5M1	sing	1.10Å	1.10Å
C5M	H5M2	sing	1.10Å	1.10Å
N5A	C1A	sing	1.46Å	1.48Å
N5A	HN5A	sing	1.02Å	1.00Å
C1A	C2A	sing	1.54Å	1.53Å
C1A	H1A1	sing	1.10Å	1.10Å
C1A	H1A2	sing	1.10Å	1.10Å
C2A	C6A	sing	1.53Å	1.54Å
C2A	H2A	sing	1.10Å	1.10Å
C6A	O6A	sing	1.41Å	1.43Å
C6A	H6A1	sing	1.09Å	1.10Å
C6A	H6A2	sing	1.09Å	1.10Å
O6A	HO6A	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O2	HO2	109.5°	106.5°
O2	C2	C1	110.8°	109.6°
O2	C2	C3	109.6°	109.3°
O2	C2	H2	108.9°	106.4°
C1	C2	C3	110.8°	111.3°
C1	C2	H2	107.7°	110.1°
C2	C1	O5	108.8°	110.5°
C2	C1	O1	108.3°	107.9°
C2	C1	H1	109.6°	111.2°
C3	C2	H2	109.0°	110.1°
C2	C3	C4	109.7°	111.3°
C2	C3	O3	108.8°	109.3°
C2	C3	H3	110.1°	110.6°
C4	C3	O3	110.5°	109.4°
C4	C3	H3	108.4°	110.4°
C3	C4	C5	110.5°	110.8°
C3	C4	O4	108.8°	109.3°
C3	C4	H4	109.4°	109.6°
O3	C3	H3	109.3°	105.8°
C3	O3	HO3	109.5°	106.4°
C5	C4	O4	110.2°	109.3°
C5	C4	H4	108.1°	110.2°
C4	C5	C6	110.3°	111.7°
C4	C5	O5	110.2°	109.9°
C4	C5	H5	107.5°	110.6°
O4	C4	H4	109.8°	107.6°
C4	O4	HO4	109.5°	106.6°
C6	C5	O5	106.4°	107.5°
C6	C5	H5	111.2°	107.7°
C5	C6	O6	110.6°	108.5°
C5	C6	H61	109.1°	110.0°
C5	C6	H62	108.8°	110.0°
O5	C5	H5	111.3°	109.3°
C5	O5	C1	111.8°	112.5°
O6	C6	H61	109.1°	109.2°
O6	C6	H62	108.8°	109.3°
C6	O6	HO6	109.5°	107.1°
H61	C6	H62	110.4°	109.8°
O5	C1	O1	105.9°	109.7°
O5	C1	H1	111.8°	110.1°
O1	C1	H1	112.3°	107.4°
C1	O1	C3A	113.6°	111.4°
O1	C3A	C2A	111.5°	109.1°
O1	C3A	C4A	110.9°	109.1°
O1	C3A	H3A	106.0°	106.8°
C2A	C3A	C4A	105.7°	110.8°
C2A	C3A	H3A	111.1°	110.8°
C3A	C2A	C1A	108.7°	110.7°
C3A	C2A	C6A	112.3°	111.3°
C3A	C2A	H2A	108.7°	108.8°
C4A	C3A	H3A	111.8°	110.2°
C3A	C4A	C5M	110.2°	111.4°
C3A	C4A	O4A	110.3°	108.4°
C3A	C4A	H4A	108.3°	110.3°
C5M	C4A	O4A	109.0°	109.0°
C5M	C4A	H4A	109.6°	110.6°
C4A	C5M	N5A	110.5°	111.6°
C4A	C5M	H5M1	109.1°	110.6°
C4A	C5M	H5M2	108.9°	109.4°
O4A	C4A	H4A	109.5°	106.9°
C4A	O4A	HO4A	109.5°	106.4°
N5A	C5M	H5M1	109.2°	110.3°
N5A	C5M	H5M2	108.9°	109.4°
C5M	N5A	C1A	112.5°	111.3°
C5M	N5A	HN5A	108.5°	108.9°
H5M1	C5M	H5M2	110.3°	105.3°
C1A	N5A	HN5A	108.5°	109.0°
N5A	C1A	C2A	110.1°	111.4°
N5A	C1A	H1A1	109.3°	108.6°
N5A	C1A	H1A2	109.1°	109.8°
C2A	C1A	H1A1	109.3°	109.7°
C2A	C1A	H1A2	109.1°	110.7°
C1A	C2A	C6A	111.3°	110.4°
C1A	C2A	H2A	109.7°	109.1°
H1A1	C1A	H1A2	109.9°	106.5°
C6A	C2A	H2A	105.9°	106.4°
C2A	C6A	O6A	111.8°	108.4°
C2A	C6A	H6A1	108.7°	109.7°
C2A	C6A	H6A2	108.2°	109.7°
O6A	C6A	H6A1	108.7°	109.5°
O6A	C6A	H6A2	108.2°	109.5°
C6A	O6A	HO6A	109.5°	107.2°
H6A1	C6A	H6A2	111.3°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C1	C3	121.8°	121.0°
O2	C2	C1	H2	119.1°	116.7°
O2	C2	C3	H2	119.1°	116.5°
O2	C2	C3	C4	176.3°	169.7°
O2	C2	C3	O3	62.7°	69.4°
O2	C2	C3	H3	57.1°	46.7°
O2	C2	C1	O5	179.2°	174.9°
O2	C2	C1	O1	64.6°	65.2°
O2	C2	C1	H1	58.3°	52.3°
HO2	O2	C2	C1	130.6°	12.0°
HO2	O2	C2	C3	106.8°	110.1°
HO2	O2	C2	H2	12.3°	131.0°
C1	C2	C3	H2	118.3°	122.3°
C1	C2	C3	C4	53.7°	48.6°
C1	C2	C3	O3	174.7°	169.5°
C1	C2	C3	H3	65.5°	74.5°
C2	C1	O5	C5	63.8°	62.2°
C2	C1	O5	O1	116.2°	118.8°
C2	C1	O5	H1	121.2°	123.2°
C2	C1	O1	H1	121.2°	119.9°
C2	C1	O1	C3A	171.4°	179.8°
C2	C3	C4	O3	120.0°	120.8°
C2	C3	C4	H3	120.2°	123.2°
C2	C3	O3	H3	120.2°	119.1°
C2	C3	O3	HO3	163.4°	169.6°
C2	C3	C4	C5	51.6°	49.6°
C2	C3	C4	O4	172.7°	170.1°
C2	C3	C4	H4	67.3°	72.3°
C3	C2	C1	O5	58.9°	53.9°
C3	C2	C1	O1	173.6°	173.9°
C3	C2	C1	H1	63.6°	68.7°
H2	C2	C3	C4	64.6°	73.8°
H2	C2	C3	O3	56.4°	47.1°
H2	C2	C3	H3	176.2°	163.2°
H2	C2	C1	O5	60.2°	68.4°
H2	C2	C1	O1	54.5°	51.6°
H2	C2	C1	H1	177.3°	169.0°
C4	C3	O3	H3	119.2°	118.9°
C4	C3	O3	HO3	76.0°	47.5°
C3	C4	C5	O4	120.3°	120.5°
C3	C4	C5	H4	119.7°	121.5°
C3	C4	O4	H4	119.8°	118.9°
C3	C4	O4	HO4	86.7°	122.2°
C3	C4	C5	C6	172.8°	175.2°
C3	C4	C5	O5	55.6°	55.9°
C3	C4	C5	H5	65.8°	64.9°
O3	C3	C4	C5	171.7°	170.4°
O3	C3	C4	O4	67.3°	69.1°
O3	C3	C4	H4	52.7°	48.6°
H3	C3	O3	HO3	43.2°	71.3°
H3	C3	C4	C5	68.6°	73.6°
H3	C3	C4	O4	52.5°	46.9°
H3	C3	C4	H4	172.5°	164.6°
C5	C4	O4	H4	119.0°	119.7°
C5	C4	O4	HO4	34.6°	0.8°
C4	C5	C6	O5	119.5°	120.7°
C4	C5	C6	H5	119.2°	121.6°
C4	C5	O5	H5	119.1°	121.6°
C4	C5	C6	O6	59.6°	179.5°
C4	C5	C6	H61	179.7°	60.0°
C4	C5	C6	H62	59.9°	61.0°
C4	C5	O5	C1	62.6°	63.2°
O4	C4	C5	C6	67.0°	64.3°
O4	C4	C5	O5	175.9°	176.4°
O4	C4	C5	H5	54.5°	55.6°
H4	C4	O4	HO4	153.5°	118.9°
H4	C4	C5	C6	53.0°	53.7°
H4	C4	C5	O5	64.1°	65.6°
H4	C4	C5	H5	174.4°	173.6°
C6	C5	O5	H5	121.3°	116.6°
C5	C6	O6	H61	120.0°	119.9°
C5	C6	O6	H62	119.5°	119.9°
C5	C6	H61	H62	119.5°	121.1°
C5	C6	O6	HO6	166.8°	88.6°
C6	C5	O5	C1	177.9°	174.9°
O5	C5	C6	O6	59.8°	58.8°
O5	C5	C6	H61	60.2°	60.7°
O5	C5	C6	H62	179.3°	178.3°
C5	O5	C1	O1	180.0°	178.9°
C5	O5	C1	H1	57.4°	61.0°
H5	C5	C6	O6	178.8°	58.9°
H5	C5	C6	H61	61.2°	178.4°
H5	C5	C6	H62	59.3°	60.6°
H5	C5	O5	C1	56.5°	58.3°
O6	C6	H61	H62	119.5°	119.9°
H61	C6	O6	HO6	46.8°	31.3°
H62	C6	O6	HO6	73.7°	151.5°
O5	C1	O1	H1	122.3°	119.7°
O5	C1	O1	C3A	72.1°	59.7°
C1	O1	C3A	C2A	108.0°	119.8°
C1	O1	C3A	C4A	134.6°	119.2°
C1	O1	C3A	H3A	13.1°	0.0°
H1	C1	O1	C3A	50.2°	59.9°
O1	C3A	C2A	C4A	120.6°	120.1°
O1	C3A	C2A	H3A	118.0°	117.3°
O1	C3A	C4A	H3A	118.0°	117.0°
O1	C3A	C4A	C5M	176.5°	171.3°
O1	C3A	C4A	O4A	56.2°	68.7°
O1	C3A	C4A	H4A	63.6°	48.0°
O1	C3A	C2A	C1A	175.6°	171.4°
O1	C3A	C2A	C6A	51.9°	65.4°
O1	C3A	C2A	H2A	65.0°	51.6°
C2A	C3A	C4A	H3A	121.0°	122.9°
C2A	C3A	C4A	C5M	62.5°	51.2°
C2A	C3A	C4A	O4A	177.1°	171.2°
C2A	C3A	C4A	H4A	57.4°	72.1°
C3A	C2A	C1A	N5A	61.6°	55.8°
C3A	C2A	C1A	C6A	124.3°	123.7°
C3A	C2A	C1A	H2A	118.8°	119.7°
C3A	C2A	C1A	H1A1	58.4°	176.0°
C3A	C2A	C1A	H1A2	178.7°	66.7°
C3A	C2A	C6A	H2A	118.6°	118.3°
C3A	C2A	C6A	O6A	66.9°	177.1°
C3A	C2A	C6A	H6A1	53.0°	63.3°
C3A	C2A	C6A	H6A2	174.0°	57.6°
C3A	C4A	C5M	O4A	121.1°	119.6°
C3A	C4A	C5M	H4A	119.1°	123.1°
C3A	C4A	O4A	H4A	119.1°	118.9°
C3A	C4A	O4A	HO4A	85.4°	24.7°
C3A	C4A	C5M	N5A	58.0°	55.1°
C3A	C4A	C5M	H5M1	178.0°	68.1°
C3A	C4A	C5M	H5M2	61.5°	176.3°
C4A	C3A	C2A	C1A	63.8°	51.4°
C4A	C3A	C2A	C6A	172.5°	174.6°
C4A	C3A	C2A	H2A	55.6°	68.5°
H3A	C3A	C4A	C5M	58.5°	71.7°
H3A	C3A	C4A	O4A	61.9°	48.3°
H3A	C3A	C4A	H4A	178.4°	165.0°
H3A	C3A	C2A	C1A	57.6°	71.2°
H3A	C3A	C2A	C6A	66.1°	52.0°
H3A	C3A	C2A	H2A	177.0°	168.9°
C5M	C4A	O4A	H4A	119.9°	119.6°
C5M	C4A	O4A	HO4A	35.7°	146.2°
C4A	C5M	N5A	H5M1	120.0°	123.4°
C4A	C5M	N5A	H5M2	119.6°	121.2°
C4A	C5M	H5M1	H5M2	119.6°	118.1°
C4A	C5M	N5A	C1A	54.3°	59.2°
C4A	C5M	N5A	HN5A	65.7°	61.0°
O4A	C4A	C5M	N5A	179.1°	174.7°
O4A	C4A	C5M	H5M1	60.8°	51.5°
O4A	C4A	C5M	H5M2	59.6°	64.1°
H4A	C4A	O4A	HO4A	155.6°	94.2°
H4A	C4A	C5M	N5A	61.1°	68.0°
H4A	C4A	C5M	H5M1	59.0°	168.8°
H4A	C4A	C5M	H5M2	179.4°	53.2°
N5A	C5M	H5M1	H5M2	119.6°	117.9°
C5M	N5A	C1A	HN5A	120.0°	120.1°
C5M	N5A	C1A	C2A	56.3°	59.7°
C5M	N5A	C1A	H1A1	63.8°	179.4°
C5M	N5A	C1A	H1A2	176.0°	63.3°
H5M1	C5M	N5A	C1A	174.3°	64.2°
H5M1	C5M	N5A	HN5A	54.3°	175.7°
H5M2	C5M	N5A	C1A	65.2°	179.6°
H5M2	C5M	N5A	HN5A	174.7°	60.3°
N5A	C1A	C2A	H1A1	120.0°	120.3°
N5A	C1A	C2A	H1A2	119.7°	122.5°
N5A	C1A	H1A1	H1A2	119.8°	118.2°
N5A	C1A	C2A	C6A	174.2°	179.5°
N5A	C1A	C2A	H2A	57.2°	63.9°
HN5A	N5A	C1A	C2A	63.7°	60.4°
HN5A	N5A	C1A	H1A1	176.2°	60.5°
HN5A	N5A	C1A	H1A2	56.0°	176.5°
C2A	C1A	H1A1	H1A2	119.8°	119.9°
C1A	C2A	C6A	H2A	119.2°	118.3°
C1A	C2A	C6A	O6A	55.2°	59.5°
C1A	C2A	C6A	H6A1	175.2°	60.0°
C1A	C2A	C6A	H6A2	63.8°	179.0°
H1A1	C1A	C2A	C6A	65.8°	60.3°
H1A1	C1A	C2A	H2A	177.2°	56.4°
H1A2	C1A	C2A	C6A	54.4°	57.0°
H1A2	C1A	C2A	H2A	62.5°	173.6°
C2A	C6A	O6A	H6A1	120.0°	119.6°
C2A	C6A	O6A	H6A2	119.0°	119.6°
C2A	C6A	H6A1	H6A2	119.0°	120.8°
C2A	C6A	O6A	HO6A	76.3°	123.5°
H2A	C2A	C6A	O6A	174.5°	58.8°
H2A	C2A	C6A	H6A1	65.5°	178.3°
H2A	C2A	C6A	H6A2	55.5°	60.7°
O6A	C6A	H6A1	H6A2	119.1°	120.4°
H6A1	C6A	O6A	HO6A	163.7°	116.8°
H6A2	C6A	O6A	HO6A	42.7°	3.9°

Definition date:	2007-02-26
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB