8ZU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C5	sing	1.51Å	1.50Å
C8	C9	sing	1.53Å	1.51Å
C6	C5	doub	1.38Å	1.40Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.53Å	1.52Å
C5	C4	sing	1.38Å	1.39Å	Aromatic
C7	C2	doub	1.40Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.48Å	1.50Å
O1	C1	doub	1.21Å	1.25Å
C1	O2	sing	1.35Å	1.25Å
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
O2	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C8	C9	112.6°	109.4°
C8	C5	C6	119.8°	119.9°
C8	C5	C4	119.4°	119.8°
C5	C8	H5	108.7°	109.5°
C5	C8	H6	108.7°	109.5°
C8	C9	C10	108.8°	109.5°
C9	C8	H5	108.7°	109.5°
C9	C8	H6	108.7°	109.5°
C8	C9	H7	109.6°	109.4°
C8	C9	H8	109.7°	109.5°
C5	C6	C7	119.7°	120.2°
C6	C5	C4	120.8°	120.3°
C5	C6	H3	120.1°	120.0°
C6	C7	C2	119.3°	119.8°
C7	C6	H3	120.1°	119.9°
C6	C7	H4	120.3°	120.1°
C10	C9	H7	109.7°	109.5°
C10	C9	H8	109.7°	109.5°
C9	C10	H9	109.5°	109.5°
C9	C10	H10	109.5°	109.5°
C9	C10	H11	109.5°	109.4°
C5	C4	C3	119.3°	120.1°
C5	C4	H2	120.3°	119.9°
C7	C2	C3	120.9°	119.7°
C7	C2	C1	119.6°	120.1°
C2	C7	H4	120.3°	120.1°
C4	C3	C2	119.9°	119.9°
C4	C3	H1	120.0°	120.1°
C3	C4	H2	120.4°	119.9°
C3	C2	C1	119.5°	120.1°
C2	C3	H1	120.1°	120.0°
C2	C1	O1	119.5°	120.0°
C2	C1	O2	117.7°	120.0°
O1	C1	O2	122.8°	120.1°
C1	O2	H12	109.5°	117.0°
H5	C8	H6	109.5°	109.5°
H7	C9	H8	109.4°	109.5°
H9	C10	H10	109.4°	109.5°
H9	C10	H11	109.5°	109.4°
H10	C10	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C8	C9	H5	120.5°	120.0°
C5	C8	C9	H6	120.5°	120.0°
C8	C5	C6	C4	179.2°	179.9°
C8	C5	C6	C7	179.5°	179.7°
C5	C8	C9	C10	176.5°	180.0°
C8	C5	C4	C3	179.3°	180.0°
C8	C5	C4	H2	0.7°	0.0°
C8	C5	C6	H3	0.5°	0.0°
C5	C8	H5	H6	118.6°	120.0°
C5	C8	C9	H7	56.6°	60.0°
C5	C8	C9	H8	63.6°	60.0°
C9	C8	C5	C6	112.3°	90.0°
C8	C9	C10	H7	119.9°	120.0°
C8	C9	C10	H8	119.9°	120.0°
C9	C8	C5	C4	68.4°	90.0°
C9	C8	H5	H6	118.6°	120.0°
C8	C9	H7	H8	120.3°	120.0°
C8	C9	C10	H9	180.0°	60.0°
C8	C9	C10	H10	60.0°	60.0°
C8	C9	C10	H11	60.0°	180.0°
C5	C6	C7	H3	180.0°	179.7°
C5	C6	C7	C2	1.0°	0.6°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C4	H2	179.9°	179.9°
C5	C6	C7	H4	179.0°	179.9°
C6	C5	C8	H5	8.2°	30.0°
C6	C5	C8	H6	127.2°	150.0°
C7	C6	C5	C4	0.3°	0.3°
C6	C7	C2	H4	180.0°	179.5°
C6	C7	C2	C3	1.6°	0.5°
C6	C7	C2	C1	179.5°	179.7°
C10	C9	C8	H5	63.0°	60.0°
C10	C9	C8	H6	56.0°	60.0°
C10	C9	H7	H8	120.3°	120.0°
C9	C10	H9	H10	120.0°	120.0°
C9	C10	H9	H11	120.0°	119.9°
C9	C10	H10	H11	120.0°	120.0°
C5	C4	C3	H2	180.0°	180.0°
C5	C4	C3	C2	0.7°	0.0°
C5	C4	C3	H1	179.3°	180.0°
C4	C5	C6	H3	179.7°	179.9°
C4	C5	C8	H5	171.1°	150.0°
C4	C5	C8	H6	52.0°	30.0°
C7	C2	C3	C4	1.4°	0.2°
C7	C2	C3	C1	179.0°	179.8°
C7	C2	C1	O1	2.2°	180.0°
C7	C2	C1	O2	178.2°	0.2°
C7	C2	C3	H1	178.5°	179.8°
C2	C7	C6	H3	179.0°	179.7°
C4	C3	C2	H1	180.0°	180.0°
C4	C3	C2	C1	179.6°	180.0°
C3	C2	C1	O1	176.8°	0.2°
C3	C2	C1	O2	2.8°	180.0°
C2	C3	C4	H2	179.3°	180.0°
C3	C2	C7	H4	178.4°	180.0°
C2	C1	O1	O2	179.5°	179.8°
C1	C2	C3	H1	0.4°	0.0°
C1	C2	C7	H4	0.5°	0.2°
C2	C1	O2	H12	179.5°	180.0°
O1	C1	O2	H12	0.0°	0.2°
H1	C3	C4	H2	0.7°	0.0°
H3	C6	C7	H4	1.0°	0.2°
H5	C8	C9	H7	177.1°	180.0°
H5	C8	C9	H8	56.9°	60.0°
H6	C8	C9	H7	63.9°	60.0°
H6	C8	C9	H8	175.9°	180.0°
H7	C9	C10	H9	60.1°	NaN°
H7	C9	C10	H10	179.9°	60.0°
H7	C9	C10	H11	59.9°	60.1°
H8	C9	C10	H9	60.1°	60.0°
H8	C9	C10	H10	59.9°	180.0°
H8	C9	C10	H11	179.9°	60.0°
H9	C10	H10	H11	120.0°	120.0°

Release date:	2019-02-27
Definition date:	2017-11-15
Last modified:	2019-02-22
Release status:	REL
Processing site:	RCSB
Derived from:	5YQA