OD0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C4	sing	1.40Å	1.40Å
O2	C5	sing	1.43Å	1.43Å
C5	C4	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.51Å
C4	C3	sing	1.50Å	1.50Å
O3	C6	sing	1.43Å	1.43Å
C6	C1	sing	1.53Å	1.53Å
C3	C2	doub	1.29Å	1.33Å
C1	C2	sing	1.50Å	1.50Å
C1	O1	sing	1.43Å	1.44Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
O2	H7	sing	0.97Å	0.95Å
C6	H8	sing	1.09Å	1.10Å
O3	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C4	C5	109.1°	109.2°
F1	C4	C3	109.4°	109.4°
F1	C4	H5	109.7°	109.4°
O2	C5	C4	111.0°	109.7°
O2	C5	C6	109.5°	109.6°
O2	C5	H6	109.9°	109.9°
C5	O2	H7	109.5°	114.0°
C4	C5	C6	109.0°	108.4°
C5	C4	C3	112.3°	110.2°
C5	C4	H5	108.0°	109.4°
C4	C5	H6	108.6°	109.6°
C5	C6	O3	111.2°	109.6°
C5	C6	C1	108.6°	108.5°
C6	C5	H6	108.7°	109.6°
C5	C6	H8	108.4°	109.6°
C4	C3	C2	123.9°	124.1°
C4	C3	H4	118.0°	118.0°
C3	C4	H5	108.2°	109.4°
O3	C6	C1	110.9°	109.7°
O3	C6	H8	109.5°	109.8°
C6	O3	H9	109.5°	114.0°
C6	C1	C2	109.8°	110.1°
C6	C1	O1	110.8°	109.4°
C6	C1	H2	107.0°	109.3°
C1	C6	H8	108.2°	109.6°
C3	C2	C1	121.6°	124.1°
C3	C2	H3	119.2°	118.0°
C2	C3	H4	118.1°	117.9°
C2	C1	O1	113.5°	109.4°
C2	C1	H2	107.4°	109.3°
C1	C2	H3	119.2°	117.9°
C1	O1	H1	109.5°	114.0°
O1	C1	H2	108.1°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C4	C5	O2	74.5°	70.8°
F1	C4	C5	C3	121.6°	120.1°
F1	C4	C5	H5	119.2°	119.6°
F1	C4	C5	C6	164.8°	169.6°
F1	C4	C3	H5	119.5°	119.7°
F1	C4	C3	C2	134.6°	137.2°
F1	C4	C3	H4	45.4°	42.8°
F1	C4	C5	H6	46.4°	49.9°
O2	C5	C4	C6	120.7°	119.7°
O2	C5	C4	H6	120.9°	120.7°
O2	C5	C6	H6	120.1°	120.7°
O2	C5	C4	C3	163.9°	169.1°
O2	C5	C6	O3	49.9°	53.2°
O2	C5	C6	C1	172.2°	172.9°
O2	C5	C4	H5	44.7°	48.9°
O2	C5	C6	H8	70.5°	67.4°
C4	C5	C6	H6	118.2°	119.6°
C5	C4	C3	H5	119.2°	120.2°
C4	C5	C6	O3	171.5°	172.9°
C4	C5	C6	C1	66.2°	67.4°
C5	C4	C3	C2	13.2°	17.2°
C5	C4	C3	H4	166.8°	162.8°
C4	C5	O2	H7	180.0°	60.0°
C4	C5	C6	H8	51.2°	52.3°
C6	C5	C4	C3	43.2°	49.4°
C5	C6	O3	C1	121.0°	119.0°
C5	C6	O3	H8	119.7°	120.5°
C5	C6	C1	H8	117.4°	119.7°
C5	C6	C1	C2	56.4°	49.4°
C5	C6	C1	O1	177.5°	169.6°
C5	C6	C1	H2	59.8°	70.7°
C6	C5	C4	H5	76.0°	70.8°
C6	C5	O2	H7	59.5°	179.0°
C5	C6	O3	H9	180.0°	180.0°
C4	C3	C2	H4	180.0°	180.0°
C4	C3	C2	C1	4.7°	0.5°
C4	C3	C2	H3	175.3°	179.5°
C3	C4	C5	H6	75.1°	70.2°
O3	C6	C1	H8	120.1°	120.6°
O3	C6	C1	C2	178.9°	169.2°
O3	C6	C1	O1	55.1°	70.6°
O3	C6	C1	H2	62.6°	49.0°
O3	C6	C5	H6	70.2°	67.5°
C6	C1	C2	C3	26.2°	17.2°
C6	C1	C2	O1	124.6°	120.2°
C6	C1	C2	H2	116.0°	120.1°
C6	C1	O1	H2	117.0°	119.6°
C6	C1	O1	H1	180.0°	179.3°
C6	C1	C2	H3	153.8°	162.9°
C1	C6	C5	H6	52.1°	52.2°
C1	C6	O3	H9	59.0°	61.0°
C3	C2	C1	H3	180.0°	180.0°
C3	C2	C1	O1	150.8°	137.4°
C3	C2	C1	H2	89.8°	102.9°
C2	C3	C4	H5	105.9°	103.1°
C2	C1	O1	H2	119.0°	119.7°
C2	C1	O1	H1	56.0°	60.0°
C1	C2	C3	H4	175.3°	179.5°
C2	C1	C6	H8	61.0°	70.2°
O1	C1	C2	H3	29.2°	42.7°
O1	C1	C6	H8	65.0°	50.0°
H1	O1	C1	H2	63.0°	59.7°
H2	C1	C2	H3	90.2°	77.0°
H2	C1	C6	H8	177.3°	169.6°
H3	C2	C3	H4	4.7°	0.5°
H4	C3	C4	H5	74.1°	76.9°
H5	C4	C5	H6	165.6°	169.5°
H6	C5	O2	H7	59.8°	60.5°
H6	C5	C6	H8	169.4°	171.9°
H8	C6	O3	H9	60.3°	59.5°

Release date:	2024-03-13
Definition date:	2022-09-05
Last modified:	2024-03-08
Release status:	REL
Processing site:	PDBE
Derived from:	8AX3