BDR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	O4	sing	1.44Å	1.45Å
C4	C3	sing	1.54Å	1.55Å
C4	C5	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
O4	C1	sing	1.44Å	1.42Å
C1	O1	sing	1.43Å	1.38Å
C1	C2	sing	1.55Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.55Å	1.55Å
C2	H2	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.99Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.42Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.99Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C3	105.8°	107.4°
O4	C4	C5	108.2°	109.9°
O4	C4	H4	108.0°	109.8°
C4	O4	C1	109.1°	107.0°
C3	C4	C5	118.9°	109.9°
C3	C4	H4	108.3°	109.9°
C4	C3	C2	100.1°	104.1°
C4	C3	O3	106.5°	110.8°
C4	C3	H3	116.4°	110.5°
C5	C4	H4	107.2°	109.9°
C4	C5	O5	114.2°	109.6°
C4	C5	H51	108.9°	109.5°
C4	C5	H52	109.1°	109.5°
O4	C1	O1	112.2°	110.6°
O4	C1	C2	102.5°	103.6°
O4	C1	H1	107.3°	110.6°
O1	C1	C2	112.9°	110.8°
O1	C1	H1	111.9°	110.5°
C1	O1	HO1	112.2°	106.9°
C2	C1	H1	109.5°	110.6°
C1	C2	O2	121.5°	110.9°
C1	C2	C3	98.9°	102.1°
C1	C2	H2	105.5°	110.9°
O2	C2	C3	116.4°	110.9°
O2	C2	H2	107.2°	110.8°
C2	O2	HO2	103.1°	106.8°
C3	C2	H2	106.0°	111.0°
C2	C3	O3	110.7°	110.5°
C2	C3	H3	110.7°	110.5°
O3	C3	H3	111.8°	110.4°
C3	O3	HO3	106.5°	106.8°
O5	C5	H51	110.4°	109.5°
O5	C5	H52	107.2°	109.4°
C5	O5	HO5	105.3°	106.9°
H51	C5	H52	106.8°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C3	C5	121.9°	119.5°
O4	C4	C3	H4	115.6°	119.4°
O4	C4	C5	H4	116.3°	120.9°
C4	O4	C1	O1	154.5°	158.8°
C4	O4	C1	C2	33.1°	40.0°
C4	O4	C1	H1	82.2°	78.5°
O4	C4	C3	C2	24.8°	1.9°
O4	C4	C3	O3	90.4°	120.6°
O4	C4	C3	H3	144.2°	116.7°
O4	C4	C5	O5	177.6°	61.7°
O4	C4	C5	H51	58.5°	58.4°
O4	C4	C5	H52	57.7°	178.3°
C3	C4	C5	H4	123.1°	121.1°
C3	C4	O4	C1	4.8°	26.4°
C4	C3	C2	C1	42.8°	21.0°
C4	C3	C2	O2	174.7°	139.2°
C4	C3	C2	O3	112.0°	119.0°
C4	C3	C2	H3	123.4°	118.5°
C4	C3	C2	H2	66.3°	97.2°
C4	C3	O3	H3	128.2°	122.7°
C4	C3	O3	HO3	180.0°	176.3°
C3	C4	C5	O5	56.9°	179.7°
C3	C4	C5	H51	179.2°	59.6°
C3	C4	C5	H52	63.0°	60.3°
C5	C4	O4	C1	133.3°	145.9°
C5	C4	C3	C2	97.0°	121.4°
C5	C4	C3	O3	147.7°	119.8°
C5	C4	C3	H3	22.3°	2.8°
C4	C5	O5	H51	123.0°	120.1°
C4	C5	O5	H52	121.0°	120.0°
C4	C5	H51	H52	117.7°	120.0°
C4	C5	O5	HO5	64.6°	179.9°
H4	C4	O4	C1	111.0°	93.1°
H4	C4	C3	C2	140.5°	117.5°
H4	C4	C3	O3	25.2°	1.2°
H4	C4	C3	H3	100.2°	123.9°
H4	C4	C5	O5	66.1°	59.2°
H4	C4	C5	H51	57.7°	179.3°
H4	C4	C5	H52	173.9°	60.8°
O4	C1	O1	C2	115.2°	114.2°
O4	C1	O1	H1	120.7°	122.8°
O4	C1	C2	H1	113.6°	118.5°
O4	C1	O1	HO1	179.9°	61.4°
O4	C1	C2	O2	175.8°	155.2°
O4	C1	C2	C3	47.3°	37.1°
O4	C1	C2	H2	62.2°	81.1°
O1	C1	C2	H1	125.5°	122.9°
O1	C1	C2	O2	63.3°	86.2°
O1	C1	C2	C3	168.2°	155.7°
O1	C1	C2	H2	58.7°	37.5°
C2	C1	O1	HO1	64.9°	175.6°
C1	C2	O2	C3	120.4°	112.6°
C1	C2	O2	H2	121.2°	123.7°
C1	C2	C3	H2	109.1°	118.2°
C1	C2	O2	HO2	113.6°	61.5°
C1	C2	C3	O3	69.3°	98.0°
C1	C2	C3	H3	166.2°	139.5°
H1	C1	O1	HO1	59.3°	61.4°
H1	C1	C2	O2	62.2°	36.7°
H1	C1	C2	C3	66.4°	81.4°
H1	C1	C2	H2	175.8°	160.4°
O2	C2	C3	H2	119.1°	123.6°
O2	C2	C3	O3	62.6°	20.2°
O2	C2	C3	H3	61.9°	102.3°
C3	C2	O2	HO2	126.0°	174.1°
C2	C3	O3	H3	123.9°	122.5°
C2	C3	O3	HO3	72.0°	61.5°
H2	C2	O2	HO2	7.6°	62.2°
H2	C2	C3	O3	178.3°	143.8°
H2	C2	C3	H3	57.2°	21.3°
H3	C3	O3	HO3	51.9°	61.0°
O5	C5	H51	H52	116.2°	119.9°
H51	C5	O5	HO5	58.4°	60.0°
H52	C5	O5	HO5	174.3°	59.9°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	1AT8