Z57

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2A	C1A	doub	1.39Å	1.40Å	Aromatic
C1A	O1	sing	1.36Å	1.36Å
C1A	C6A	sing	1.39Å	1.40Å	Aromatic
O1	HO1	sing	0.97Å	0.95Å
C1	C2A	sing	1.51Å	1.54Å
C3A	C2A	sing	1.38Å	1.39Å	Aromatic
C3A	C4A	doub	1.39Å	1.39Å	Aromatic
C3A	H3A	sing	1.08Å	1.08Å
O4A	C4A	sing	1.36Å	1.35Å
C4A	C5A	sing	1.39Å	1.39Å	Aromatic
O4A	HO4A	sing	0.97Å	0.95Å
C5A	C6A	doub	1.38Å	1.39Å	Aromatic
C5A	BR5	sing	1.89Å	1.90Å
C6A	H6	sing	1.08Å	1.08Å
C2	C1	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.46Å
C1	H1	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.55Å
O2	C2	sing	1.43Å	1.44Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
O3	C3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.54Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
O4	C4	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.55Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.54Å
C5	O5	sing	1.43Å	1.45Å
C5	H5	sing	1.09Å	1.10Å
O6	C6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	C1A	O1	120.3°	120.0°
C2A	C1A	C6A	120.2°	120.0°
C1A	C2A	C1	120.4°	120.0°
C1A	C2A	C3A	119.7°	120.0°
O1	C1A	C6A	119.5°	120.0°
C1A	O1	HO1	109.5°	114.0°
C1A	C6A	C5A	119.6°	120.0°
C1A	C6A	H6	120.2°	120.0°
C1	C2A	C3A	119.8°	120.0°
C2A	C1	C2	117.3°	109.5°
C2A	C1	O5	105.2°	109.5°
C2A	C1	H1	106.3°	109.4°
C2A	C3A	C4A	119.9°	120.1°
C2A	C3A	H3A	120.1°	120.0°
C4A	C3A	H3A	120.1°	120.0°
C3A	C4A	O4A	120.1°	120.0°
C3A	C4A	C5A	120.5°	120.0°
O4A	C4A	C5A	119.4°	120.0°
C4A	O4A	HO4A	109.5°	114.0°
C4A	C5A	C6A	120.1°	120.0°
C4A	C5A	BR5	119.0°	120.0°
C6A	C5A	BR5	120.9°	120.0°
C5A	C6A	H6	120.2°	120.0°
C2	C1	O5	106.3°	109.4°
C2	C1	H1	105.2°	109.5°
C1	C2	C3	109.4°	109.2°
C1	C2	O2	110.9°	109.6°
C1	C2	H2	109.4°	109.5°
O5	C1	H1	117.3°	109.5°
C1	O5	C5	110.8°	114.1°
C3	C2	O2	112.0°	109.5°
C3	C2	H2	108.2°	109.6°
C2	C3	O3	110.4°	109.6°
C2	C3	C4	111.0°	109.0°
C2	C3	H3	107.9°	109.6°
O2	C2	H2	106.7°	109.4°
C2	O2	HO2	109.5°	114.1°
O3	C3	C4	109.9°	109.5°
O3	C3	H3	109.0°	109.6°
C3	O3	HO3	109.5°	114.1°
C4	C3	H3	108.4°	109.6°
C3	C4	O4	110.6°	109.5°
C3	C4	C5	111.5°	109.1°
C3	C4	H4	107.3°	109.6°
O4	C4	C5	109.4°	109.5°
O4	C4	H4	109.5°	109.6°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	108.5°	109.5°
C4	C5	C6	113.1°	109.5°
C4	C5	O5	109.6°	109.4°
C4	C5	H5	106.3°	109.5°
C6	C5	O5	107.4°	109.5°
C6	C5	H5	108.5°	109.4°
C5	C6	O6	109.0°	109.5°
C5	C6	H61	109.6°	109.5°
C5	C6	H62	109.6°	109.4°
O5	C5	H5	112.0°	109.5°
O6	C6	H61	109.6°	109.5°
O6	C6	H62	109.6°	109.4°
C6	O6	HO6	109.5°	114.0°
H61	C6	H62	109.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	C1A	O1	C6A	179.8°	179.8°
C2A	C1A	O1	HO1	180.0°	89.8°
C1A	C2A	C1	C3A	178.4°	179.9°
C1A	C2A	C3A	C4A	1.0°	0.0°
C1A	C2A	C3A	H3A	179.0°	180.0°
C2A	C1A	C6A	C5A	0.0°	0.5°
C2A	C1A	C6A	H6	180.0°	179.8°
C1A	C2A	C1	C2	135.2°	85.0°
C1A	C2A	C1	O5	107.1°	155.0°
C1A	C2A	C1	H1	18.0°	35.0°
O1	C1A	C2A	C1	1.1°	0.0°
O1	C1A	C2A	C3A	179.5°	180.0°
O1	C1A	C6A	C5A	179.8°	179.8°
O1	C1A	C6A	H6	0.2°	0.0°
C6A	C1A	O1	HO1	0.2°	90.0°
C6A	C1A	C2A	C1	179.1°	179.7°
C6A	C1A	C2A	C3A	0.7°	0.2°
C1A	C6A	C5A	C4A	0.4°	0.4°
C1A	C6A	C5A	H6	180.0°	179.8°
C1A	C6A	C5A	BR5	179.9°	179.7°
C1	C2A	C3A	C4A	179.4°	180.0°
C1	C2A	C3A	H3A	0.6°	0.1°
C2A	C1	C2	O5	117.2°	120.0°
C2A	C1	C2	H1	117.8°	120.0°
C2A	C1	O5	H1	117.8°	120.0°
C2A	C1	C2	C3	179.6°	177.6°
C2A	C1	C2	O2	56.3°	62.4°
C2A	C1	C2	H2	61.2°	57.7°
C2A	C1	O5	C5	164.7°	178.9°
C2A	C3A	C4A	H3A	180.0°	180.0°
C2A	C3A	C4A	O4A	180.0°	180.0°
C2A	C3A	C4A	C5A	0.6°	0.1°
C3A	C2A	C1	C2	46.4°	95.0°
C3A	C2A	C1	O5	71.4°	25.1°
C3A	C2A	C1	H1	163.6°	145.1°
C3A	C4A	O4A	C5A	179.5°	180.0°
C3A	C4A	O4A	HO4A	180.0°	90.0°
C3A	C4A	C5A	C6A	0.1°	0.2°
C3A	C4A	C5A	BR5	179.8°	180.0°
H3A	C3A	C4A	O4A	0.0°	0.0°
H3A	C3A	C4A	C5A	179.4°	180.0°
O4A	C4A	C5A	C6A	179.3°	179.8°
O4A	C4A	C5A	BR5	0.3°	0.0°
C5A	C4A	O4A	HO4A	0.5°	89.9°
C4A	C5A	C6A	BR5	179.7°	179.8°
C4A	C5A	C6A	H6	179.6°	179.8°
BR5	C5A	C6A	H6	0.1°	0.0°
C2	C1	O5	H1	117.2°	120.0°
C1	C2	C3	O2	123.4°	120.0°
C1	C2	C3	H2	119.2°	120.0°
C1	C2	O2	H2	119.1°	120.1°
C1	C2	O2	HO2	180.0°	180.0°
C1	C2	C3	O3	174.8°	176.8°
C1	C2	C3	C4	52.6°	57.0°
C1	C2	C3	H3	66.1°	62.9°
C2	C1	O5	C5	70.3°	61.1°
O5	C1	C2	C3	62.5°	57.6°
O5	C1	C2	O2	173.5°	177.6°
O5	C1	C2	H2	56.0°	62.4°
C1	O5	C5	C4	65.3°	61.1°
C1	O5	C5	C6	171.5°	178.9°
C1	O5	C5	H5	52.4°	58.9°
H1	C1	C2	C3	62.6°	62.4°
H1	C1	C2	O2	61.5°	57.6°
H1	C1	C2	H2	179.0°	177.6°
H1	C1	O5	C5	46.9°	58.9°
C3	C2	O2	H2	118.3°	120.2°
C3	C2	O2	HO2	57.4°	60.3°
C2	C3	O3	C4	122.9°	119.5°
C2	C3	O3	H3	118.4°	120.3°
C2	C3	C4	H3	118.4°	119.9°
C2	C3	O3	HO3	180.0°	180.0°
C2	C3	C4	O4	169.2°	176.9°
C2	C3	C4	C5	47.1°	57.0°
C2	C3	C4	H4	71.5°	62.9°
O2	C2	C3	O3	61.8°	63.2°
O2	C2	C3	C4	176.0°	177.0°
O2	C2	C3	H3	57.3°	57.1°
H2	C2	O2	HO2	60.9°	59.9°
H2	C2	C3	O3	55.6°	56.9°
H2	C2	C3	C4	66.6°	62.9°
H2	C2	C3	H3	174.7°	177.2°
O3	C3	C4	H3	119.1°	120.3°
O3	C3	C4	O4	68.3°	63.3°
O3	C3	C4	C5	169.7°	176.8°
O3	C3	C4	H4	51.0°	57.0°
C4	C3	O3	HO3	57.1°	60.5°
C3	C4	O4	C5	123.2°	119.7°
C3	C4	O4	H4	118.0°	120.2°
C3	C4	C5	H4	117.9°	119.9°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	C6	172.1°	177.6°
C3	C4	C5	O5	52.3°	57.6°
C3	C4	C5	H5	69.0°	62.4°
H3	C3	O3	HO3	61.6°	59.7°
H3	C3	C4	O4	50.8°	57.0°
H3	C3	C4	C5	71.2°	62.9°
H3	C3	C4	H4	170.1°	177.2°
O4	C4	C5	H4	119.4°	120.2°
O4	C4	C5	C6	65.2°	62.4°
O4	C4	C5	O5	175.0°	177.5°
O4	C4	C5	H5	53.7°	57.5°
C5	C4	O4	HO4	56.8°	179.6°
C4	C5	C6	O5	121.1°	120.0°
C4	C5	C6	H5	117.6°	120.0°
C4	C5	O5	H5	117.7°	120.0°
C4	C5	C6	O6	50.2°	175.0°
C4	C5	C6	H61	170.2°	55.0°
C4	C5	C6	H62	69.9°	65.0°
H4	C4	O4	HO4	62.0°	60.2°
H4	C4	C5	C6	54.2°	57.7°
H4	C4	C5	O5	65.7°	62.3°
H4	C4	C5	H5	173.1°	177.7°
C6	C5	O5	H5	119.0°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	119.9°
C5	C6	H61	H62	120.1°	119.9°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	70.9°	65.0°
O5	C5	C6	H61	49.1°	175.0°
O5	C5	C6	H62	169.0°	55.0°
H5	C5	C6	O6	167.8°	55.0°
H5	C5	C6	H61	72.2°	65.1°
H5	C5	C6	H62	47.7°	174.9°
O6	C6	H61	H62	120.2°	120.0°
H61	C6	O6	HO6	60.0°	60.0°
H62	C6	O6	HO6	60.0°	60.1°

Definition date:	2010-07-01
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	3NPA