Obsolete: YYQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.56Å
C1	O5	sing	1.43Å	1.46Å
C1	O1	sing	1.43Å	1.47Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
C2	N2	sing	1.47Å	1.47Å
C7	C8	sing	1.51Å	1.57Å
C7	N2	sing	1.35Å	1.33Å
C7	O7	doub	1.21Å	1.26Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.55Å
C3	O3	sing	1.43Å	1.47Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.57Å
C4	H4	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.46Å
C5	H5	sing	1.09Å	1.10Å
C5	O5	sing	1.43Å	1.49Å
C5	C6	sing	1.53Å	1.54Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.63Å
N2	HN2	sing	0.97Å	1.00Å
O1	HO1	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	107.6°	109.4°
C2	C1	O1	116.3°	109.5°
C2	C1	H1	104.8°	109.5°
C1	C2	C3	115.9°	109.2°
C1	C2	H2	102.6°	109.5°
C1	C2	N2	113.9°	109.5°
O5	C1	O1	115.4°	109.5°
O5	C1	H1	105.9°	109.5°
C1	O5	C5	122.1°	114.1°
O1	C1	H1	105.7°	109.5°
C1	O1	HO1	109.5°	114.0°
C3	C2	H2	102.7°	109.6°
C3	C2	N2	115.7°	109.5°
C2	C3	C4	108.9°	109.0°
C2	C3	O3	116.1°	109.5°
C2	C3	H3	106.8°	109.5°
H2	C2	N2	103.5°	109.5°
C2	N2	C7	126.8°	120.0°
C2	N2	HN2	116.6°	119.9°
C8	C7	N2	114.4°	120.0°
C8	C7	O7	126.5°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.4°
C7	C8	H83	109.5°	109.5°
N2	C7	O7	119.1°	120.0°
C7	N2	HN2	116.6°	120.0°
H81	C8	H82	109.4°	109.4°
H81	C8	H83	109.5°	109.5°
H82	C8	H83	109.5°	109.5°
C4	C3	O3	109.8°	109.6°
C4	C3	H3	106.9°	109.6°
C3	C4	C5	112.5°	109.2°
C3	C4	H4	105.0°	109.5°
C3	C4	O4	117.4°	109.5°
O3	C3	H3	107.8°	109.6°
C3	O3	HO3	109.5°	114.0°
C5	C4	H4	104.9°	109.5°
C5	C4	O4	110.0°	109.5°
C4	C5	H5	102.9°	109.5°
C4	C5	O5	116.8°	109.5°
C4	C5	C6	109.0°	109.5°
H4	C4	O4	105.9°	109.6°
C4	O4	HO4	109.5°	114.0°
H5	C5	O5	103.7°	109.5°
H5	C5	C6	103.2°	109.5°
O5	C5	C6	118.8°	109.5°
C5	C6	H61	112.0°	109.5°
C5	C6	H62	112.0°	109.4°
C5	C6	O6	99.2°	109.5°
H61	C6	H62	109.4°	109.5°
H61	C6	O6	112.0°	109.4°
H62	C6	O6	112.0°	109.5°
C6	O6	HO6	109.5°	113.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	O1	131.8°	120.0°
C2	C1	O5	H1	111.7°	120.0°
C2	C1	O1	H1	115.8°	120.1°
C1	C2	C3	H2	110.9°	119.9°
C1	C2	C3	N2	137.2°	119.9°
C1	C2	H2	N2	118.7°	120.1°
C1	C2	N2	C7	93.2°	85.0°
C1	C2	C3	C4	63.7°	57.0°
C1	C2	C3	O3	171.7°	176.8°
C1	C2	C3	H3	51.4°	62.9°
C2	C1	O5	C5	9.7°	61.1°
C1	C2	N2	HN2	86.8°	95.1°
C2	C1	O1	HO1	180.0°	180.0°
O5	C1	O1	H1	116.7°	120.0°
O5	C1	C2	C3	44.3°	57.6°
O5	C1	C2	H2	66.7°	62.4°
O5	C1	C2	N2	177.7°	177.5°
C1	O5	C5	C4	43.7°	61.1°
C1	O5	C5	H5	156.1°	58.9°
C1	O5	C5	C6	90.3°	178.9°
O5	C1	O1	HO1	52.5°	60.0°
O1	C1	C2	C3	86.9°	62.4°
O1	C1	C2	H2	162.1°	177.7°
O1	C1	C2	N2	51.0°	57.5°
O1	C1	O5	C5	141.4°	58.9°
H1	C1	C2	C3	156.7°	177.6°
H1	C1	C2	H2	45.8°	57.6°
H1	C1	C2	N2	65.3°	62.5°
H1	C1	O5	C5	102.0°	178.9°
H1	C1	O1	HO1	64.2°	60.0°
C3	C2	H2	N2	120.7°	120.2°
C3	C2	N2	C7	44.8°	155.3°
C2	C3	C4	O3	128.2°	119.9°
C2	C3	C4	H3	115.1°	119.9°
C2	C3	O3	H3	119.8°	120.2°
C2	C3	C4	C5	26.7°	57.0°
C2	C3	C4	H4	140.2°	176.9°
C2	C3	C4	O4	102.4°	62.9°
C3	C2	N2	HN2	135.2°	24.6°
C2	C3	O3	HO3	180.0°	180.0°
H2	C2	N2	C7	156.3°	35.1°
H2	C2	C3	C4	47.2°	62.9°
H2	C2	C3	O3	77.3°	56.9°
H2	C2	C3	H3	162.4°	177.2°
H2	C2	N2	HN2	23.7°	144.8°
C2	N2	C7	C8	103.3°	180.0°
C2	N2	C7	HN2	180.0°	179.9°
C2	N2	C7	O7	78.7°	0.0°
N2	C2	C3	C4	159.1°	176.9°
N2	C2	C3	O3	34.6°	63.2°
N2	C2	C3	H3	85.7°	57.0°
C8	C7	N2	O7	178.0°	180.0°
C7	C8	H81	H82	120.0°	119.9°
C7	C8	H81	H83	120.0°	120.1°
C7	C8	H82	H83	120.0°	120.0°
C8	C7	N2	HN2	76.7°	0.0°
N2	C7	C8	H81	177.8°	60.1°
N2	C7	C8	H82	62.2°	180.0°
N2	C7	C8	H83	57.8°	60.0°
O7	C7	C8	H81	0.0°	120.0°
O7	C7	C8	H82	120.0°	0.0°
O7	C7	C8	H83	120.0°	120.0°
O7	C7	N2	HN2	101.3°	180.0°
H81	C8	H82	H83	120.0°	120.0°
C4	C3	O3	H3	116.1°	120.2°
C3	C4	C5	H4	113.6°	119.9°
C3	C4	C5	O4	132.9°	119.9°
C3	C4	H4	O4	124.9°	120.1°
C3	C4	C5	H5	134.1°	62.4°
C3	C4	C5	O5	21.2°	57.6°
C3	C4	C5	C6	116.9°	177.6°
C4	C3	O3	HO3	55.9°	60.5°
C3	C4	O4	HO4	180.0°	180.0°
O3	C3	C4	C5	154.9°	176.8°
O3	C3	C4	H4	91.6°	63.2°
O3	C3	C4	O4	25.7°	56.9°
H3	C3	C4	C5	88.4°	62.9°
H3	C3	C4	H4	25.1°	57.0°
H3	C3	C4	O4	142.5°	177.2°
H3	C3	O3	HO3	60.3°	59.8°
C5	C4	H4	O4	116.3°	120.2°
C4	C5	H5	O5	122.1°	120.0°
C4	C5	H5	C6	113.4°	120.0°
C4	C5	O5	C6	133.9°	120.0°
C4	C5	C6	H61	167.9°	65.0°
C4	C5	C6	H62	68.8°	55.0°
C4	C5	C6	O6	49.5°	175.0°
C5	C4	O4	HO4	49.7°	60.3°
H4	C4	C5	H5	20.4°	57.5°
H4	C4	C5	O5	92.4°	177.5°
H4	C4	C5	C6	129.5°	62.5°
H4	C4	O4	HO4	63.1°	59.9°
O4	C4	C5	H5	93.0°	177.7°
O4	C4	C5	O5	154.1°	62.3°
O4	C4	C5	C6	16.0°	57.7°
H5	C5	O5	C6	113.7°	120.0°
H5	C5	C6	H61	59.0°	175.0°
H5	C5	C6	H62	177.7°	65.0°
H5	C5	C6	O6	59.3°	55.0°
O5	C5	C6	H61	55.0°	55.0°
O5	C5	C6	H62	68.4°	175.0°
O5	C5	C6	O6	173.3°	65.0°
C5	C6	H61	H62	124.8°	120.0°
C5	C6	H61	O6	110.4°	120.0°
C5	C6	H62	O6	110.4°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
H61	C6	H62	O6	124.8°	120.0°
H61	C6	O6	HO6	61.7°	60.0°
H62	C6	O6	HO6	61.7°	60.0°

Release date:	2020-07-29
Definition date:	2012-12-17
Last modified:	2023-09-20
Release status:	OBS
Processing site:	RCSB
Derived from:	2VLC