A1H0F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	sing	1.55Å	1.40Å
C3	O2	sing	1.44Å	1.35Å
F2	C4	sing	1.40Å	1.31Å
F1	C4	sing	1.40Å	1.26Å
C4	C5	sing	1.54Å	1.62Å
O2	C2	sing	1.45Å	1.48Å
C2	C5	sing	1.55Å	1.46Å
C2	C1	sing	1.53Å	1.50Å
C5	O4	sing	1.43Å	1.48Å
C1	O1	sing	1.43Å	1.46Å
C5	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
O4	H7	sing	0.97Å	0.95Å
O1	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	O2	90.6°	104.8°
C3	C4	F2	112.3°	110.5°
C3	C4	F1	94.1°	110.5°
C3	C4	C5	108.9°	104.1°
C4	C3	H2	114.0°	110.4°
C4	C3	H3	114.0°	110.4°
C3	O2	C2	102.6°	105.4°
O2	C3	H2	114.0°	110.4°
O2	C3	H3	114.0°	110.4°
F2	C4	F1	111.1°	110.6°
F2	C4	C5	113.1°	110.5°
F1	C4	C5	115.9°	110.5°
C4	C5	C2	92.8°	104.2°
C4	C5	O4	116.0°	110.5°
C4	C5	H1	110.8°	110.5°
O2	C2	C5	103.6°	104.7°
O2	C2	C1	116.5°	110.6°
O2	C2	H4	111.3°	110.4°
C5	C2	C1	102.2°	110.4°
C2	C5	O4	109.4°	110.5°
C2	C5	H1	113.3°	110.5°
C5	C2	H4	111.6°	110.4°
C2	C1	O1	106.8°	109.5°
C1	C2	H4	111.0°	110.3°
C2	C1	H5	110.1°	109.5°
C2	C1	H6	110.1°	109.4°
O4	C5	H1	112.9°	110.4°
C5	O4	H7	109.5°	114.0°
O1	C1	H5	110.1°	109.5°
O1	C1	H6	110.1°	109.5°
C1	O1	H8	109.5°	114.0°
H2	C3	H3	109.5°	110.4°
H5	C1	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	O2	H2	116.7°	118.9°
C4	C3	O2	H3	116.7°	118.8°
C3	C4	F2	F1	103.9°	122.6°
C3	C4	F2	C5	123.7°	114.7°
C3	C4	F1	C5	113.3°	114.6°
C4	C3	O2	C2	62.4°	40.4°
C3	C4	C5	C2	20.2°	0.0°
C3	C4	C5	O4	93.0°	118.7°
C3	C4	C5	H1	136.4°	118.8°
C4	C3	H2	H3	129.0°	122.3°
O2	C3	C4	F2	177.2°	142.6°
O2	C3	C4	F1	68.0°	94.7°
O2	C3	C4	C5	51.2°	23.9°
C3	O2	C2	C5	54.7°	40.3°
C3	O2	C2	C1	166.0°	159.2°
O2	C3	H2	H3	128.9°	122.3°
C3	O2	C2	H4	65.3°	78.5°
F2	C4	F1	C5	131.0°	122.7°
F2	C4	C5	C2	145.7°	118.7°
F2	C4	C5	O4	32.5°	0.0°
F2	C4	C5	H1	98.1°	122.6°
F2	C4	C3	H2	66.2°	98.5°
F2	C4	C3	H3	60.5°	23.8°
F1	C4	C5	C2	84.3°	118.6°
F1	C4	C5	O4	162.5°	122.7°
F1	C4	C5	H1	32.0°	0.1°
F1	C4	C3	H2	48.6°	24.1°
F1	C4	C3	H3	175.3°	146.5°
C4	C5	C2	O2	17.4°	23.8°
C4	C5	C2	O4	118.9°	118.7°
C4	C5	C2	H1	114.1°	118.7°
C4	C5	C2	C1	138.9°	142.8°
C4	C5	O4	H1	129.5°	122.6°
C5	C4	C3	H2	167.8°	142.8°
C5	C4	C3	H3	65.5°	94.9°
C4	C5	C2	H4	102.4°	95.0°
C4	C5	O4	H7	180.0°	63.2°
O2	C2	C5	C1	121.5°	119.0°
O2	C2	C5	H4	119.8°	118.8°
O2	C2	C1	H4	128.8°	122.4°
O2	C2	C5	O4	136.3°	142.5°
O2	C2	C1	O1	179.6°	69.7°
O2	C2	C5	H1	96.8°	95.0°
C2	O2	C3	H2	179.1°	159.2°
C2	O2	C3	H3	54.3°	78.4°
O2	C2	C1	H5	60.0°	170.3°
O2	C2	C1	H6	60.8°	50.3°
C5	C2	C1	H4	119.1°	122.3°
C2	C5	O4	H1	127.2°	122.5°
C5	C2	C1	O1	67.5°	175.0°
C5	C2	C1	H5	52.1°	55.0°
C5	C2	C1	H6	172.9°	65.0°
C2	C5	O4	H7	76.7°	178.1°
C1	C2	C5	O4	102.2°	98.5°
C2	C1	O1	H5	119.6°	120.0°
C2	C1	O1	H6	119.6°	120.0°
C1	C2	C5	H1	24.7°	24.0°
C2	C1	H5	H6	121.2°	120.0°
C2	C1	O1	H8	180.0°	180.0°
O4	C5	C2	H4	16.4°	23.7°
O1	C1	C2	H4	51.6°	52.8°
O1	C1	H5	H6	121.2°	120.0°
H1	C5	C2	H4	143.4°	146.3°
H1	C5	O4	H7	50.5°	59.4°
H4	C2	C1	H5	171.2°	67.2°
H4	C2	C1	H6	68.0°	172.8°
H5	C1	O1	H8	60.4°	60.0°
H6	C1	O1	H8	60.4°	60.0°

Release date:	2024-02-21
Definition date:	2023-12-15
Last modified:	2024-02-16
Release status:	REL
Processing site:	PDBE
Derived from:	8RH3