MUR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.39Å
C1	C2	sing	1.53Å	1.46Å
C1	O5	sing	1.43Å	1.40Å
C1	H1	sing	1.09Å	1.12Å
O1	HO1	sing	0.97Å	0.95Å
C2	N2	sing	1.47Å	1.38Å
C2	C3	sing	1.53Å	1.50Å
C2	H2	sing	1.09Å	1.11Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.54Å
C3	H3	sing	1.09Å	1.12Å
O3	C7	sing	1.43Å	1.43Å
C4	O4	sing	1.43Å	1.41Å
C4	C5	sing	1.53Å	1.55Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.41Å
C5	C6	sing	1.53Å	1.53Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.42Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
O6	HO6	sing	0.97Å	0.95Å
C7	C8	sing	1.51Å	1.53Å
C7	C9	sing	1.53Å	1.53Å
C7	H7	sing	1.09Å	1.12Å
C8	O8	doub	1.21Å	1.24Å
C8	O9	sing	1.34Å	1.24Å
O9	HO9	sing	0.97Å	0.95Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.11Å
C9	H93	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	105.8°	109.4°
O1	C1	O5	110.0°	109.4°
O1	C1	H1	112.4°	109.4°
C1	O1	HO1	105.8°	106.8°
C2	C1	O5	111.9°	109.8°
C2	C1	H1	110.5°	109.3°
C1	C2	N2	106.0°	109.6°
C1	C2	C3	111.1°	109.0°
C1	C2	H2	111.2°	109.5°
O5	C1	H1	106.4°	109.4°
C1	O5	C5	109.1°	107.7°
N2	C2	C3	110.8°	109.6°
N2	C2	H2	111.5°	109.5°
C2	N2	HN21	106.0°	106.7°
C2	N2	HN22	113.5°	106.7°
C3	C2	H2	106.4°	109.6°
C2	C3	O3	105.5°	109.6°
C2	C3	C4	103.0°	108.9°
C2	C3	H3	118.3°	109.6°
HN21	N2	HN22	113.5°	106.7°
O3	C3	C4	115.6°	109.6°
O3	C3	H3	106.2°	109.6°
C3	O3	C7	128.0°	106.9°
C4	C3	H3	108.7°	109.6°
C3	C4	O4	112.9°	109.9°
C3	C4	C5	112.5°	109.0°
C3	C4	H4	104.1°	109.3°
O3	C7	C8	108.6°	109.5°
O3	C7	C9	103.3°	109.5°
O3	C7	H7	112.7°	109.5°
O4	C4	C5	107.2°	109.6°
O4	C4	H4	109.8°	109.5°
C4	O4	HO4	113.0°	106.9°
C5	C4	H4	110.3°	109.6°
C4	C5	O5	109.2°	110.0°
C4	C5	C6	118.2°	109.4°
C4	C5	H5	102.4°	109.3°
O5	C5	C6	105.9°	109.4°
O5	C5	H5	115.5°	109.4°
C6	C5	H5	106.0°	109.4°
C5	C6	O6	109.2°	109.5°
C5	C6	H61	112.3°	109.5°
C5	C6	H62	112.3°	109.4°
O6	C6	H61	112.3°	109.5°
O6	C6	H62	112.3°	109.5°
C6	O6	HO6	109.2°	106.8°
H61	C6	H62	98.1°	109.5°
C8	C7	C9	105.7°	109.4°
C8	C7	H7	110.6°	109.5°
C7	C8	O8	120.2°	120.0°
C7	C8	O9	119.0°	120.1°
C9	C7	H7	115.4°	109.4°
C7	C9	H91	103.3°	109.5°
C7	C9	H92	114.6°	109.4°
C7	C9	H93	114.6°	109.5°
O8	C8	O9	120.2°	120.0°
C8	O9	HO9	119.0°	120.1°
H91	C9	H92	114.5°	109.4°
H91	C9	H93	114.5°	109.5°
H92	C9	H93	95.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	119.8°	120.1°
O1	C1	C2	H1	121.9°	119.9°
O1	C1	O5	H1	122.0°	119.9°
O1	C1	C2	N2	53.0°	58.7°
O1	C1	C2	C3	173.5°	178.7°
O1	C1	C2	H2	68.3°	61.5°
O1	C1	O5	C5	177.7°	172.4°
C2	C1	O5	H1	120.8°	120.0°
C2	C1	O1	HO1	180.0°	179.9°
C1	C2	N2	C3	120.6°	119.6°
C1	C2	N2	H2	121.2°	120.1°
C1	C2	C3	H2	121.2°	119.8°
C1	C2	N2	HN21	180.0°	60.4°
C1	C2	N2	HN22	54.8°	174.2°
C1	C2	C3	O3	179.6°	173.5°
C1	C2	C3	C4	58.0°	53.6°
C1	C2	C3	H3	61.8°	66.2°
C2	C1	O5	C5	65.0°	67.5°
O5	C1	O1	HO1	59.1°	59.7°
O5	C1	C2	N2	172.8°	178.8°
O5	C1	C2	C3	66.8°	61.2°
O5	C1	C2	H2	51.5°	58.7°
C1	O5	C5	C4	58.6°	67.4°
C1	O5	C5	C6	173.2°	172.4°
C1	O5	C5	H5	56.2°	52.6°
H1	C1	O1	HO1	59.3°	60.1°
H1	C1	C2	N2	68.8°	61.1°
H1	C1	C2	C3	51.6°	58.9°
H1	C1	C2	H2	169.8°	178.7°
H1	C1	O5	C5	55.7°	52.5°
N2	C2	C3	H2	121.3°	120.2°
C2	N2	HN21	HN22	125.3°	113.8°
N2	C2	C3	O3	62.9°	66.5°
N2	C2	C3	C4	175.5°	173.6°
N2	C2	C3	H3	55.7°	53.8°
C3	C2	N2	HN21	59.4°	180.0°
C3	C2	N2	HN22	175.3°	66.2°
C2	C3	O3	C4	113.0°	119.4°
C2	C3	O3	H3	126.4°	120.3°
C2	C3	C4	H3	126.3°	119.9°
C2	C3	O3	C7	109.6°	90.3°
C2	C3	C4	O4	175.8°	173.5°
C2	C3	C4	C5	54.3°	53.5°
C2	C3	C4	H4	65.1°	66.3°
H2	C2	N2	HN21	58.9°	59.8°
H2	C2	N2	HN22	66.4°	54.1°
H2	C2	C3	O3	58.4°	53.7°
H2	C2	C3	C4	63.2°	66.2°
H2	C2	C3	H3	177.0°	174.0°
O3	C3	C4	H3	119.3°	120.3°
O3	C3	C4	O4	69.7°	66.6°
O3	C3	C4	C5	168.8°	173.3°
O3	C3	C4	H4	49.3°	53.6°
C3	O3	C7	C8	104.3°	150.0°
C3	O3	C7	C9	143.8°	90.0°
C3	O3	C7	H7	18.6°	29.9°
C4	C3	O3	C7	137.4°	150.3°
C3	C4	O4	C5	124.5°	119.7°
C3	C4	O4	H4	115.7°	120.1°
C3	C4	C5	H4	115.8°	119.6°
C3	C4	O4	HO4	180.0°	179.7°
C3	C4	C5	O5	57.2°	60.9°
C3	C4	C5	C6	178.2°	178.9°
C3	C4	C5	H5	65.8°	59.1°
H3	C3	O3	C7	16.8°	30.1°
H3	C3	C4	O4	49.6°	53.7°
H3	C3	C4	C5	71.9°	66.4°
H3	C3	C4	H4	168.6°	173.8°
O3	C7	C8	C9	110.2°	120.0°
O3	C7	C8	H7	124.2°	120.1°
O3	C7	C9	H7	123.5°	120.0°
O3	C7	C8	O8	93.6°	0.0°
O3	C7	C8	O9	77.2°	180.0°
O3	C7	C9	H91	180.0°	60.0°
O3	C7	C9	H92	54.7°	59.9°
O3	C7	C9	H93	54.8°	180.0°
O4	C4	C5	H4	119.5°	120.1°
O4	C4	C5	O5	178.1°	178.8°
O4	C4	C5	C6	57.1°	58.6°
O4	C4	C5	H5	59.0°	61.1°
C5	C4	O4	HO4	55.5°	60.0°
C4	C5	O5	C6	128.2°	120.2°
C4	C5	O5	H5	114.8°	120.0°
C4	C5	C6	H5	114.1°	119.7°
C4	C5	C6	O6	75.2°	179.5°
C4	C5	C6	H61	159.5°	59.5°
C4	C5	C6	H62	50.1°	60.5°
H4	C4	O4	HO4	64.3°	60.2°
H4	C4	C5	O5	58.6°	58.7°
H4	C4	C5	C6	62.4°	61.5°
H4	C4	C5	H5	178.4°	178.7°
O5	C5	C6	H5	123.2°	119.8°
O5	C5	C6	O6	47.5°	59.9°
O5	C5	C6	H61	77.8°	180.0°
O5	C5	C6	H62	172.8°	60.1°
C5	C6	O6	H61	125.3°	120.0°
C5	C6	O6	H62	125.3°	119.9°
C5	C6	H61	H62	118.2°	119.9°
C5	C6	O6	HO6	180.0°	180.0°
H5	C5	C6	O6	170.7°	59.9°
H5	C5	C6	H61	45.4°	60.2°
H5	C5	C6	H62	64.0°	179.8°
O6	C6	H61	H62	118.2°	120.0°
H61	C6	O6	HO6	54.7°	60.0°
H62	C6	O6	HO6	54.7°	60.1°
C8	C7	C9	H7	122.5°	120.0°
C7	C8	O8	O9	170.7°	180.0°
C7	C8	O9	HO9	180.0°	180.0°
C8	C7	C9	H91	66.0°	60.0°
C8	C7	C9	H92	59.3°	180.0°
C8	C7	C9	H93	168.8°	60.0°
C9	C7	C8	O8	16.7°	120.0°
C9	C7	C8	O9	172.5°	60.0°
C7	C9	H91	H92	125.3°	120.0°
C7	C9	H91	H93	125.3°	120.0°
C7	C9	H92	H93	120.5°	120.0°
H7	C7	C8	O8	142.2°	120.0°
H7	C7	C8	O9	47.0°	60.0°
H7	C7	C9	H91	56.5°	180.0°
H7	C7	C9	H92	178.2°	60.0°
H7	C7	C9	H93	68.7°	60.0°
O8	C8	O9	HO9	9.2°	0.0°
H91	C9	H92	H93	120.4°	120.0°

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