OX2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.57Å
C1	O5	sing	1.43Å	1.47Å
C1	C7	sing	1.51Å	1.53Å
C1	H1	sing	1.09Å	1.12Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.45Å
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	1.46Å
C5	C6	sing	1.53Å	1.56Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.45Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
O6	HO6	sing	0.97Å	0.95Å
N1	N2	sing	1.29Å	1.35Å	Aromatic
N1	C8	doub	1.30Å	1.24Å	Aromatic
N2	C7	doub	1.30Å	1.32Å	Aromatic
C7	O7	sing	1.34Å	1.39Å	Aromatic
O7	C8	sing	1.34Å	1.33Å	Aromatic
C8	C9	sing	1.51Å	1.50Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	110.9°	109.7°
C2	C1	C7	110.8°	109.4°
C2	C1	H1	107.3°	109.4°
C1	C2	O2	111.5°	109.6°
C1	C2	C3	108.2°	109.0°
C1	C2	H2	109.0°	109.6°
O5	C1	C7	108.6°	109.5°
O5	C1	H1	109.6°	109.4°
C1	O5	C5	112.0°	107.6°
C7	C1	H1	109.6°	109.4°
C1	C7	N2	121.7°	126.3°
C1	C7	O7	125.2°	126.3°
O2	C2	C3	109.3°	109.5°
O2	C2	H2	107.7°	109.6°
C2	O2	HO2	111.5°	106.8°
C3	C2	H2	111.1°	109.5°
C2	C3	O3	111.7°	109.7°
C2	C3	C4	109.6°	108.6°
C2	C3	H3	108.0°	109.7°
O3	C3	C4	109.8°	109.6°
O3	C3	H3	107.8°	109.6°
C3	O3	HO3	111.7°	106.8°
C4	C3	H3	110.0°	109.6°
C3	C4	O4	110.7°	109.7°
C3	C4	C5	109.7°	109.0°
C3	C4	H4	108.6°	109.5°
O4	C4	C5	109.8°	109.6°
O4	C4	H4	108.5°	109.5°
C4	O4	HO4	110.7°	106.8°
C5	C4	H4	109.5°	109.5°
C4	C5	O5	111.8°	109.8°
C4	C5	C6	111.3°	109.4°
C4	C5	H5	106.4°	109.4°
O5	C5	C6	109.0°	109.4°
O5	C5	H5	108.9°	109.4°
C6	C5	H5	109.3°	109.3°
C5	C6	O6	110.3°	109.5°
C5	C6	H61	111.9°	109.5°
C5	C6	H62	111.9°	109.4°
O6	C6	H61	111.9°	109.5°
O6	C6	H62	111.9°	109.5°
C6	O6	HO6	110.3°	106.8°
H61	C6	H62	98.5°	109.4°
N2	N1	C8	110.7°	109.3°
N1	N2	C7	102.6°	109.4°
N1	C8	O7	113.9°	107.5°
N1	C8	C9	126.4°	126.2°
N2	C7	O7	113.1°	107.5°
C7	O7	C8	99.7°	106.3°
O7	C8	C9	119.7°	126.3°
C8	C9	H91	106.2°	109.5°
C8	C9	H92	126.4°	109.5°
C8	C9	H93	106.2°	109.4°
H91	C9	H92	106.2°	109.5°
H91	C9	H93	103.2°	109.5°
H92	C9	H93	106.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	C7	122.0°	120.1°
C2	C1	O5	H1	118.3°	120.0°
C2	C1	C7	H1	118.3°	119.8°
C1	C2	O2	C3	119.6°	119.5°
C1	C2	O2	H2	119.5°	120.3°
C1	C2	C3	H2	119.6°	119.9°
C1	C2	O2	HO2	180.0°	60.5°
C1	C2	C3	O3	179.3°	173.6°
C1	C2	C3	C4	57.4°	53.8°
C1	C2	C3	H3	62.4°	66.0°
C2	C1	O5	C5	59.9°	67.6°
C2	C1	C7	N2	126.4°	75.2°
C2	C1	C7	O7	54.2°	104.9°
O5	C1	C7	H1	119.7°	119.9°
O5	C1	C2	O2	179.3°	178.8°
O5	C1	C2	C3	59.0°	61.3°
O5	C1	C2	H2	61.9°	58.6°
C1	O5	C5	C4	58.1°	67.6°
C1	O5	C5	C6	178.4°	172.3°
C1	O5	C5	H5	59.2°	52.5°
O5	C1	C7	N2	111.6°	45.1°
O5	C1	C7	O7	67.9°	134.8°
C7	C1	C2	O2	60.0°	58.7°
C7	C1	C2	C3	179.7°	178.6°
C7	C1	C2	H2	58.8°	61.6°
C7	C1	O5	C5	178.1°	172.3°
C1	C7	N2	N1	179.6°	179.8°
C1	C7	N2	O7	179.5°	179.9°
C1	C7	O7	C8	179.5°	180.0°
H1	C1	C2	O2	59.7°	61.1°
H1	C1	C2	C3	60.6°	58.7°
H1	C1	C2	H2	178.5°	178.6°
H1	C1	O5	C5	58.4°	52.4°
H1	C1	C7	N2	8.1°	165.0°
H1	C1	C7	O7	172.4°	14.9°
O2	C2	C3	H2	118.8°	120.2°
O2	C2	C3	O3	59.1°	66.5°
O2	C2	C3	C4	179.1°	173.7°
O2	C2	C3	H3	59.3°	53.9°
C3	C2	O2	HO2	60.4°	180.0°
C2	C3	O3	C4	121.8°	119.2°
C2	C3	O3	H3	118.5°	120.5°
C2	C3	C4	H3	118.6°	119.8°
C2	C3	O3	HO3	180.0°	60.8°
C2	C3	C4	O4	177.5°	173.7°
C2	C3	C4	C5	56.2°	53.7°
C2	C3	C4	H4	63.5°	66.1°
H2	C2	O2	HO2	60.5°	59.8°
H2	C2	C3	O3	59.7°	53.7°
H2	C2	C3	C4	62.1°	66.1°
H2	C2	C3	H3	178.1°	174.1°
O3	C3	C4	H3	118.4°	120.3°
O3	C3	C4	O4	59.4°	66.4°
O3	C3	C4	C5	179.2°	173.6°
O3	C3	C4	H4	59.5°	53.8°
C4	C3	O3	HO3	58.2°	180.0°
C3	C4	O4	C5	121.3°	119.6°
C3	C4	O4	H4	119.1°	120.2°
C3	C4	C5	H4	119.1°	119.8°
C3	C4	O4	HO4	180.0°	60.4°
C3	C4	C5	O5	56.0°	61.2°
C3	C4	C5	C6	178.1°	178.7°
C3	C4	C5	H5	62.8°	58.9°
H3	C3	O3	HO3	61.6°	59.7°
H3	C3	C4	O4	59.0°	53.9°
H3	C3	C4	C5	62.4°	66.1°
H3	C3	C4	H4	178.0°	174.1°
O4	C4	C5	H4	119.0°	120.1°
O4	C4	C5	O5	177.8°	178.8°
O4	C4	C5	C6	60.0°	58.6°
O4	C4	C5	H5	59.0°	61.1°
C5	C4	O4	HO4	58.7°	180.0°
C4	C5	O5	C6	123.5°	120.1°
C4	C5	O5	H5	117.3°	120.1°
C4	C5	C6	H5	117.3°	119.8°
C4	C5	C6	O6	49.5°	174.7°
C4	C5	C6	H61	75.8°	54.6°
C4	C5	C6	H62	174.8°	65.3°
H4	C4	O4	HO4	60.9°	59.9°
H4	C4	C5	O5	63.2°	58.6°
H4	C4	C5	C6	59.0°	61.5°
H4	C4	C5	H5	178.1°	178.8°
O5	C5	C6	H5	119.0°	119.8°
O5	C5	C6	O6	74.2°	64.9°
O5	C5	C6	H61	160.5°	175.0°
O5	C5	C6	H62	51.0°	55.0°
C5	C6	O6	H61	125.3°	120.1°
C5	C6	O6	H62	125.2°	120.0°
C5	C6	H61	H62	117.8°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
H5	C5	C6	O6	166.8°	54.9°
H5	C5	C6	H61	41.5°	65.2°
H5	C5	C6	H62	67.9°	174.9°
O6	C6	H61	H62	117.8°	120.0°
H61	C6	O6	HO6	54.7°	59.9°
H62	C6	O6	HO6	54.7°	60.0°
N1	N2	C7	O7	0.1°	0.3°
N2	N1	C8	O7	0.1°	0.4°
N2	N1	C8	C9	179.9°	179.8°
C8	N1	N2	C7	0.1°	0.4°
N1	C8	O7	C7	0.1°	0.2°
N1	C8	O7	C9	179.8°	179.8°
N1	C8	C9	H91	54.7°	90.3°
N1	C8	C9	H92	180.0°	29.8°
N1	C8	C9	H93	54.7°	149.7°
N2	C7	O7	C8	0.0°	0.0°
C7	O7	C8	C9	179.9°	180.0°
O7	C8	C9	H91	125.5°	89.9°
O7	C8	C9	H92	0.2°	150.0°
O7	C8	C9	H93	125.0°	30.1°
C8	C9	H91	H92	136.8°	120.0°
C8	C9	H91	H93	111.6°	120.0°
C8	C9	H92	H93	125.3°	119.9°
H91	C9	H92	H93	109.5°	120.0°

Definition date:	2004-10-05
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1XL0