96O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	O6	sing	1.43Å	1.39Å
C6	C5	sing	1.53Å	1.47Å
O4	C4	sing	1.43Å	1.44Å
C5	C4	sing	1.53Å	1.54Å
C5	O5	sing	1.43Å	1.51Å
C4	C3	sing	1.53Å	1.47Å
N03	N04	doub	1.29Å	1.37Å	Aromatic
N03	N02	sing	1.29Å	1.36Å	Aromatic
N04	C05	sing	1.34Å	1.33Å	Aromatic
O5	C1	sing	1.43Å	1.48Å
N02	C01	sing	1.47Å	1.46Å
N02	C19	sing	1.35Å	1.33Å	Aromatic
C3	O3	sing	1.43Å	1.45Å
C3	C2	sing	1.53Å	1.50Å
O1	C1	sing	1.43Å	1.39Å
O1	C06	sing	1.43Å	1.39Å
C05	C19	doub	1.35Å	1.40Å	Aromatic
C05	C06	sing	1.51Å	1.53Å
C1	C2	sing	1.53Å	1.54Å
C2	O2	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C01	H3A	sing	1.09Å	1.10Å
C01	H4A	sing	1.09Å	1.10Å
C01	H5A	sing	1.09Å	1.10Å
C06	H6	sing	1.09Å	1.10Å
C06	H7	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C19	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	C5	108.3°	109.5°
O6	C6	H61	109.8°	109.5°
O6	C6	H62	109.8°	109.5°
C6	O6	HO6	109.5°	114.0°
C6	C5	C4	109.3°	109.5°
C6	C5	O5	109.6°	109.5°
C6	C5	H5	108.4°	109.5°
C5	C6	H61	109.8°	109.5°
C5	C6	H62	109.8°	109.5°
O4	C4	C5	107.8°	109.6°
O4	C4	C3	106.6°	109.5°
O4	C4	H4	110.6°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	113.9°	109.4°
C5	C4	C3	112.6°	109.2°
C5	C4	H4	109.1°	109.5°
C4	C5	H5	107.5°	109.5°
C5	O5	C1	110.1°	114.1°
O5	C5	H5	108.0°	109.5°
C4	C3	O3	108.4°	109.5°
C4	C3	C2	115.4°	109.1°
C3	C4	H4	110.0°	109.5°
C4	C3	H3	108.2°	109.5°
N04	N03	N02	108.4°	110.1°
N03	N04	C05	107.9°	108.9°
N03	N02	C01	126.9°	125.8°
N03	N02	C19	107.4°	108.3°
N04	C05	C19	107.6°	106.4°
N04	C05	C06	125.9°	126.8°
O5	C1	O1	109.5°	109.5°
O5	C1	C2	110.5°	109.5°
O5	C1	H1	109.4°	109.4°
C01	N02	C19	125.6°	125.9°
N02	C01	H3A	109.5°	109.5°
N02	C01	H4A	109.5°	109.5°
N02	C01	H5A	109.5°	109.5°
N02	C19	C05	108.6°	106.2°
N02	C19	H17	125.7°	126.9°
O3	C3	C2	108.5°	109.5°
O3	C3	H3	108.5°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C2	C1	111.8°	109.2°
C3	C2	O2	109.3°	109.5°
C3	C2	H2	108.3°	109.6°
C2	C3	H3	107.8°	109.6°
C1	O1	C06	119.6°	114.0°
O1	C1	C2	108.2°	109.5°
O1	C1	H1	110.7°	109.5°
O1	C06	C05	106.7°	109.5°
O1	C06	H6	110.1°	109.5°
O1	C06	H7	110.2°	109.5°
C19	C05	C06	126.5°	126.8°
C05	C19	H17	125.7°	126.9°
C05	C06	H6	110.2°	109.5°
C05	C06	H7	110.2°	109.5°
C1	C2	O2	110.2°	109.6°
C2	C1	H1	108.6°	109.5°
C1	C2	H2	107.8°	109.5°
O2	C2	H2	109.4°	109.5°
C2	O2	HO2	109.5°	114.0°
H3A	C01	H4A	109.5°	109.5°
H3A	C01	H5A	109.5°	109.5°
H4A	C01	H5A	109.5°	109.5°
H6	C06	H7	109.5°	109.5°
H61	C6	H62	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	H61	119.8°	120.0°
O6	C6	C5	H62	119.8°	120.0°
O6	C6	C5	C4	87.7°	175.0°
O6	C6	C5	O5	37.8°	65.0°
O6	C6	C5	H5	155.4°	55.0°
O6	C6	H61	H62	120.6°	120.0°
C6	C5	C4	O4	73.1°	62.5°
C6	C5	C4	O5	122.9°	120.0°
C6	C5	C4	H5	117.5°	120.0°
C6	C5	O5	H5	117.9°	120.0°
C6	C5	C4	C3	169.5°	177.6°
C6	C5	O5	C1	177.5°	178.9°
C6	C5	C4	H4	47.0°	57.7°
C5	C6	H61	H62	120.5°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O4	C4	C5	C3	117.3°	119.9°
O4	C4	C5	H4	120.2°	120.2°
O4	C4	C5	O5	163.9°	177.5°
O4	C4	C3	H4	120.0°	120.1°
O4	C4	C3	O3	76.3°	63.2°
O4	C4	C3	C2	161.8°	176.9°
O4	C4	C5	H5	44.3°	57.5°
O4	C4	C3	H3	41.1°	57.0°
C4	C5	O5	H5	119.3°	120.0°
C5	C4	C3	H4	122.0°	119.9°
C4	C5	O5	C1	54.7°	61.1°
C5	C4	C3	O3	165.6°	176.8°
C5	C4	C3	C2	43.8°	57.0°
C5	C4	C3	H3	76.9°	63.0°
C5	C4	O4	HO4	180.0°	179.8°
C4	C5	C6	H61	32.1°	55.0°
C4	C5	C6	H62	152.4°	65.0°
O5	C5	C4	C3	46.6°	57.6°
C5	O5	C1	O1	60.3°	58.9°
C5	O5	C1	C2	58.7°	61.1°
O5	C5	C4	H4	75.9°	62.3°
C5	O5	C1	H1	178.2°	178.9°
O5	C5	C6	H61	157.6°	174.9°
O5	C5	C6	H62	82.1°	54.9°
C4	C3	O3	C2	126.0°	119.6°
C4	C3	O3	H3	117.2°	120.2°
C4	C3	C2	H3	121.0°	119.9°
C4	C3	C2	C1	49.0°	57.0°
C4	C3	C2	O2	73.3°	62.9°
C3	C4	C5	H5	73.0°	62.4°
C4	C3	C2	H2	167.6°	176.9°
C4	C3	O3	HO3	180.0°	180.0°
C3	C4	O4	HO4	58.8°	60.1°
N04	N03	N02	C01	179.3°	180.0°
N04	N03	N02	C19	0.1°	0.3°
N03	N04	C05	C19	0.5°	0.2°
N03	N04	C05	C06	179.8°	180.0°
N02	N03	N04	C05	0.4°	0.0°
N03	N02	C01	C19	179.4°	179.6°
N03	N02	C19	C05	0.2°	0.4°
N03	N02	C01	H3A	0.0°	89.7°
N03	N02	C01	H4A	120.0°	30.4°
N03	N02	C01	H5A	120.0°	150.4°
N03	N02	C19	H17	179.8°	179.7°
N04	C05	C19	N02	0.4°	0.4°
N04	C05	C06	O1	57.6°	180.0°
N04	C05	C19	C06	179.6°	179.8°
N04	C05	C06	H6	61.9°	60.0°
N04	C05	C06	H7	177.2°	60.0°
N04	C05	C19	H17	179.6°	179.8°
O5	C1	C2	C3	56.1°	57.6°
O5	C1	O1	C2	120.5°	120.0°
O5	C1	O1	H1	120.7°	120.0°
O5	C1	O1	C06	131.3°	70.0°
O5	C1	C2	H1	120.0°	120.0°
O5	C1	C2	O2	65.6°	62.3°
C1	O5	C5	H5	64.6°	58.9°
O5	C1	C2	H2	175.1°	177.6°
C01	N02	C19	C05	179.6°	179.9°
N02	C01	H3A	H4A	120.0°	120.0°
N02	C01	H3A	H5A	120.0°	120.0°
N02	C01	H4A	H5A	120.0°	120.0°
C01	N02	C19	H17	0.4°	0.0°
N02	C19	C05	H17	180.0°	179.9°
N02	C19	C05	C06	179.9°	179.9°
C19	N02	C01	H3A	179.3°	89.9°
C19	N02	C01	H4A	60.6°	150.0°
C19	N02	C01	H5A	59.3°	30.0°
O3	C3	C2	H3	117.3°	120.2°
O3	C3	C2	C1	170.8°	176.8°
O3	C3	C2	O2	48.5°	56.9°
O3	C3	C4	H4	43.6°	56.9°
O3	C3	C2	H2	70.6°	63.2°
C3	C2	C1	O1	63.7°	62.4°
C3	C2	C1	O2	121.8°	119.9°
C3	C2	C1	H2	118.9°	120.0°
C3	C2	O2	H2	118.4°	120.2°
C2	C3	C4	H4	78.2°	62.9°
C3	C2	C1	H1	176.1°	177.6°
C3	C2	O2	HO2	180.0°	179.7°
C2	C3	O3	HO3	54.0°	60.5°
C1	O1	C06	C05	179.4°	180.0°
O1	C1	C2	H1	120.2°	120.0°
O1	C1	C2	O2	174.6°	177.7°
C1	O1	C06	H6	61.1°	60.0°
C1	O1	C06	H7	59.8°	60.0°
O1	C1	C2	H2	55.3°	57.6°
O1	C06	C05	C19	122.0°	0.3°
O1	C06	C05	H6	119.5°	120.0°
O1	C06	C05	H7	119.6°	120.0°
C06	O1	C1	C2	108.2°	170.0°
O1	C06	H6	H7	121.3°	120.0°
C06	O1	C1	H1	10.7°	50.0°
C19	C05	C06	H6	118.5°	120.2°
C19	C05	C06	H7	2.4°	119.7°
C05	C06	H6	H7	121.3°	120.0°
C06	C05	C19	H17	0.1°	0.0°
C1	C2	O2	H2	118.4°	120.2°
C1	C2	O2	HO2	56.8°	60.0°
C1	C2	C3	H3	71.9°	62.9°
O2	C2	C1	H1	54.3°	57.7°
O2	C2	C3	H3	165.8°	177.1°
H4	C4	C5	H5	164.5°	177.7°
H4	C4	C3	H3	161.0°	177.1°
H4	C4	O4	HO4	60.8°	60.1°
H5	C5	C6	H61	84.9°	65.1°
H5	C5	C6	H62	35.5°	175.0°
H3A	C01	H4A	H5A	120.0°	120.0°
H1	C1	C2	H2	65.0°	62.5°
H2	C2	O2	HO2	61.5°	60.2°
H2	C2	C3	H3	46.7°	57.0°
H3	C3	O3	HO3	62.8°	59.8°
H61	C6	O6	HO6	60.2°	60.0°
H62	C6	O6	HO6	60.2°	60.0°

Release date:	2019-04-10
Definition date:	2018-01-25
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	5Z5L