PAF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.22Å	1.29Å
C1	O2	doub	1.22Å	1.26Å
C1	C2	sing	1.51Å	1.57Å
C2	O3	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.56Å
C2	H21	sing	1.09Å	1.11Å
O3	HO31	sing	0.97Å	0.95Å
C3	C4	sing	1.53Å	1.55Å
C3	C5	sing	1.53Å	1.53Å
C3	C6	sing	1.53Å	1.52Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
C4	H43	sing	1.09Å	1.12Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
C5	H53	sing	1.09Å	1.12Å
C6	O4	sing	1.43Å	1.41Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
O4	HO41	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	123.1°	120.0°
O1	C1	C2	117.7°	120.0°
O2	C1	C2	119.2°	120.0°
C1	C2	O3	108.5°	109.5°
C1	C2	C3	113.6°	109.5°
C1	C2	H21	107.2°	109.5°
O3	C2	C3	109.2°	109.5°
O3	C2	H21	111.8°	109.4°
C2	O3	HO31	108.5°	106.8°
C3	C2	H21	106.5°	109.4°
C2	C3	C4	110.8°	109.4°
C2	C3	C5	111.7°	109.4°
C2	C3	C6	104.1°	109.5°
C4	C3	C5	110.6°	109.4°
C4	C3	C6	109.9°	109.5°
C3	C4	H41	110.8°	109.5°
C3	C4	H42	111.7°	109.4°
C3	C4	H43	111.7°	109.5°
C5	C3	C6	109.5°	109.5°
C3	C5	H51	111.7°	109.5°
C3	C5	H52	111.4°	109.5°
C3	C5	H53	111.5°	109.5°
C3	C6	O4	109.6°	109.4°
C3	C6	H61	112.1°	109.5°
C3	C6	H62	112.1°	109.4°
H41	C4	H42	111.7°	109.4°
H41	C4	H43	111.7°	109.5°
H42	C4	H43	98.7°	109.5°
H51	C5	H52	111.3°	109.5°
H51	C5	H53	111.3°	109.4°
H52	C5	H53	98.9°	109.5°
O4	C6	H61	112.2°	109.5°
O4	C6	H62	112.2°	109.4°
C6	O4	HO41	109.5°	106.8°
H61	C6	H62	98.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.5°	180.0°
O1	C1	C2	O3	45.3°	5.0°
O1	C1	C2	C3	76.3°	115.0°
O1	C1	C2	H21	166.2°	125.0°
O2	C1	C2	O3	134.2°	175.0°
O2	C1	C2	C3	104.1°	65.0°
O2	C1	C2	H21	13.3°	55.0°
C1	C2	O3	C3	124.3°	120.1°
C1	C2	O3	H21	118.1°	120.0°
C1	C2	C3	H21	117.8°	120.0°
C1	C2	O3	HO31	180.0°	60.1°
C1	C2	C3	C4	58.7°	60.0°
C1	C2	C3	C5	65.1°	60.0°
C1	C2	C3	C6	176.8°	180.0°
O3	C2	C3	H21	120.9°	119.9°
O3	C2	C3	C4	180.0°	60.1°
O3	C2	C3	C5	56.2°	180.0°
O3	C2	C3	C6	61.9°	59.9°
C3	C2	O3	HO31	55.7°	60.0°
C2	C3	C4	C5	124.4°	119.9°
C2	C3	C4	C6	114.5°	120.0°
C2	C3	C5	C6	114.8°	120.1°
C2	C3	C4	H41	180.0°	59.9°
C2	C3	C4	H42	54.7°	60.0°
C2	C3	C4	H43	54.8°	180.0°
C2	C3	C5	H51	180.0°	180.0°
C2	C3	C5	H52	54.8°	60.1°
C2	C3	C5	H53	54.7°	60.0°
C2	C3	C6	O4	59.5°	180.0°
C2	C3	C6	H61	175.2°	60.0°
C2	C3	C6	H62	65.8°	60.1°
H21	C2	O3	HO31	62.0°	180.0°
H21	C2	C3	C4	59.1°	180.0°
H21	C2	C3	C5	177.1°	60.1°
H21	C2	C3	C6	59.0°	60.0°
C4	C3	C5	C6	121.3°	120.0°
C3	C4	H41	H42	125.3°	119.9°
C3	C4	H41	H43	125.2°	120.0°
C3	C4	H42	H43	117.6°	120.0°
C4	C3	C5	H51	56.1°	60.0°
C4	C3	C5	H52	69.2°	180.0°
C4	C3	C5	H53	178.6°	60.0°
C4	C3	C6	O4	59.2°	60.0°
C4	C3	C6	H61	66.1°	60.0°
C4	C3	C6	H62	175.5°	179.9°
C5	C3	C4	H41	55.5°	60.0°
C5	C3	C4	H42	179.1°	180.0°
C5	C3	C4	H43	69.7°	60.1°
C3	C5	H51	H52	125.3°	120.0°
C3	C5	H51	H53	125.3°	120.0°
C3	C5	H52	H53	117.4°	120.0°
C5	C3	C6	O4	179.1°	60.0°
C5	C3	C6	H61	55.6°	180.0°
C5	C3	C6	H62	53.8°	60.0°
C6	C3	C4	H41	65.5°	180.0°
C6	C3	C4	H42	59.8°	60.0°
C6	C3	C4	H43	169.3°	60.0°
C6	C3	C5	H51	65.2°	60.0°
C6	C3	C5	H52	169.5°	60.0°
C6	C3	C5	H53	60.1°	180.0°
C3	C6	O4	H61	125.2°	120.0°
C3	C6	O4	H62	125.3°	119.9°
C3	C6	H61	H62	118.0°	120.0°
C3	C6	O4	HO41	180.0°	180.0°
H41	C4	H42	H43	117.6°	120.1°
H51	C5	H52	H53	117.2°	120.0°
O4	C6	H61	H62	118.2°	120.0°
H61	C6	O4	HO41	54.8°	60.0°
H62	C6	O4	HO41	54.7°	60.1°

Definition date:	2002-11-05
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	1N2B