8B9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.51Å	1.52Å
N2	C7	sing	1.35Å	1.33Å
N2	C2	sing	1.46Å	1.45Å
C1	C2	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.44Å
C7	O7	doub	1.21Å	1.24Å
C3	C2	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.45Å
C5	C4	sing	1.53Å	1.54Å
C5	C6	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.45Å
C1	O1	sing	1.43Å	1.39Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
N2	HN2	sing	0.97Å	1.00Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	N2	116.8°	120.0°
C8	C7	O7	120.0°	120.1°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.4°
C7	N2	C2	120.3°	120.0°
N2	C7	O7	123.2°	119.9°
C7	N2	HN2	119.9°	120.0°
N2	C2	C1	110.5°	109.5°
N2	C2	C3	110.0°	109.6°
N2	C2	H2	110.0°	109.6°
C2	N2	HN2	119.8°	120.0°
C2	C1	O5	109.2°	109.4°
C1	C2	C3	108.6°	109.1°
C2	C1	O1	109.3°	109.5°
C2	C1	H1	106.6°	109.4°
C1	C2	H2	108.8°	109.5°
C1	O5	C5	113.2°	114.1°
O5	C1	O1	115.3°	109.5°
O5	C1	H1	107.7°	109.5°
C2	C3	O3	110.4°	109.5°
C2	C3	C4	109.2°	109.1°
C3	C2	H2	108.9°	109.5°
C2	C3	H3	108.6°	109.5°
O3	C3	C4	109.7°	109.6°
O3	C3	H3	110.2°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	C5	110.4°	109.2°
C4	C3	H3	108.6°	109.6°
C3	C4	H4	109.2°	109.5°
C3	C4	H5A	109.3°	109.5°
O5	C5	C4	110.7°	109.4°
O5	C5	C6	106.9°	109.5°
O5	C5	H5	110.1°	109.5°
C4	C5	C6	111.0°	109.5°
C5	C4	H4	109.2°	109.5°
C5	C4	H5A	109.3°	109.6°
C4	C5	H5	108.9°	109.5°
C5	C6	O6	109.5°	109.5°
C6	C5	H5	109.2°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.5°	109.4°
O6	C6	H61	109.5°	109.5°
O6	C6	H62	109.5°	109.5°
C6	O6	HO6	109.5°	114.0°
O1	C1	H1	108.4°	109.5°
C1	O1	HO1	109.5°	114.0°
H4	C4	H5A	109.5°	109.5°
H61	C6	H62	109.5°	109.5°
H81	C8	H82	109.4°	109.5°
H81	C8	H83	109.5°	109.4°
H82	C8	H83	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	N2	O7	179.9°	180.0°
C8	C7	N2	C2	170.7°	180.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	119.9°
C7	C8	H82	H83	120.0°	120.0°
C8	C7	N2	HN2	9.3°	0.0°
C7	N2	C2	HN2	180.0°	179.9°
C7	N2	C2	C1	121.6°	85.1°
C7	N2	C2	C3	118.5°	155.3°
C7	N2	C2	H2	1.5°	35.1°
N2	C7	C8	H81	179.9°	90.0°
N2	C7	C8	H82	60.1°	30.0°
N2	C7	C8	H83	59.8°	150.0°
N2	C2	C1	C3	120.8°	120.0°
N2	C2	C1	H2	120.9°	120.2°
N2	C2	C1	O5	178.6°	177.6°
C2	N2	C7	O7	9.2°	0.0°
N2	C2	C3	H2	120.6°	120.3°
N2	C2	C3	O3	60.2°	63.2°
N2	C2	C3	C4	179.0°	176.9°
N2	C2	C1	O1	54.5°	57.5°
N2	C2	C1	H1	62.5°	62.5°
N2	C2	C3	H3	60.7°	56.9°
C2	C1	O5	O1	123.5°	120.1°
C2	C1	O5	H1	115.4°	119.9°
C1	C2	C3	H2	118.3°	119.9°
C1	C2	C3	O3	178.8°	176.9°
C1	C2	C3	C4	58.0°	57.0°
C2	C1	O5	C5	61.9°	61.2°
C2	C1	O1	H1	115.8°	120.0°
C1	C2	C3	H3	60.3°	63.0°
C1	C2	N2	HN2	58.4°	95.0°
C2	C1	O1	HO1	180.0°	179.9°
O5	C1	C2	C3	60.7°	57.6°
C1	O5	C5	C4	58.6°	61.2°
C1	O5	C5	C6	179.6°	178.8°
O5	C1	O1	H1	120.8°	120.0°
O5	C1	C2	H2	57.7°	62.2°
C1	O5	C5	H5	61.9°	58.8°
O5	C1	O1	HO1	56.6°	60.1°
O7	C7	C8	H81	0.0°	89.9°
O7	C7	C8	H82	120.0°	150.0°
O7	C7	C8	H83	120.0°	30.0°
O7	C7	N2	HN2	170.8°	179.9°
C2	C3	O3	C4	120.5°	119.6°
C2	C3	O3	H3	119.9°	120.1°
C2	C3	C4	H3	118.3°	119.9°
C2	C3	C4	C5	55.0°	57.0°
C3	C2	C1	O1	66.3°	62.4°
C3	C2	C1	H1	176.8°	177.6°
C2	C3	C4	H4	175.1°	176.9°
C2	C3	C4	H5A	65.1°	63.0°
C2	C3	O3	HO3	180.0°	180.0°
C3	C2	N2	HN2	61.5°	24.6°
O3	C3	C4	H3	120.5°	120.2°
O3	C3	C4	C5	176.2°	176.8°
O3	C3	C2	H2	60.4°	57.0°
O3	C3	C4	H4	63.6°	63.2°
O3	C3	C4	H5A	56.1°	56.9°
C3	C4	C5	O5	54.2°	57.6°
C3	C4	C5	H4	120.1°	119.9°
C3	C4	C5	H5A	120.2°	119.9°
C3	C4	C5	C6	172.8°	177.6°
C4	C3	C2	H2	60.3°	62.9°
C3	C4	H4	H5A	119.6°	120.1°
C3	C4	C5	H5	67.0°	62.4°
C4	C3	O3	HO3	59.5°	60.4°
O5	C5	C4	C6	118.5°	120.0°
O5	C5	C4	H5	121.2°	120.0°
O5	C5	C6	H5	119.1°	120.0°
O5	C5	C6	O6	164.1°	65.0°
C5	O5	C1	O1	61.6°	58.8°
C5	O5	C1	H1	177.3°	178.9°
O5	C5	C4	H4	174.3°	177.5°
O5	C5	C4	H5A	65.9°	62.3°
O5	C5	C6	H61	44.1°	175.0°
O5	C5	C6	H62	75.9°	55.0°
C4	C5	C6	H5	120.1°	120.0°
C4	C5	C6	O6	43.3°	175.1°
C5	C4	C3	H3	63.3°	62.9°
C5	C4	H4	H5A	119.6°	120.2°
C4	C5	C6	H61	76.6°	55.1°
C4	C5	C6	H62	163.3°	64.9°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C6	C5	C4	H4	67.1°	62.5°
C6	C5	C4	H5A	52.6°	57.7°
C5	C6	H61	H62	120.0°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O6	C6	C5	H5	76.8°	55.0°
O6	C6	H61	H62	120.0°	120.0°
O1	C1	C2	H2	175.3°	177.7°
H1	C1	C2	H2	58.4°	57.7°
H1	C1	O1	HO1	64.2°	60.0°
H2	C2	C3	H3	178.7°	177.2°
H2	C2	N2	HN2	178.5°	144.8°
H3	C3	C4	H4	56.9°	57.0°
H3	C3	C4	H5A	176.6°	177.1°
H3	C3	O3	HO3	60.1°	59.9°
H4	C4	C5	H5	53.2°	57.5°
H5A	C4	C5	H5	172.9°	177.7°
H5	C5	C6	H61	163.2°	65.0°
H5	C5	C6	H62	43.2°	175.0°
H61	C6	O6	HO6	60.0°	60.0°
H62	C6	O6	HO6	60.0°	60.0°
H81	C8	H82	H83	120.0°	120.0°

Release date:	2017-10-25
Definition date:	2017-06-02
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	5XO2