2DR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.55Å	1.51Å
C2	C1	sing	1.55Å	1.52Å
C3	C4	sing	1.54Å	1.51Å
C3	O3	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.52Å
C4	O4	sing	1.44Å	1.42Å
C5	O5	sing	1.43Å	1.43Å
O1	C1	sing	1.43Å	1.43Å
O4	C1	sing	1.44Å	1.43Å
C2	H2	sing	1.09Å	1.10Å
C2	H22C	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	105.2°	102.0°
C2	C3	C4	104.4°	104.2°
C2	C3	O3	108.2°	110.5°
C3	C2	H2	110.9°	110.9°
C3	C2	H22C	111.9°	110.9°
C2	C3	H3	114.1°	110.4°
C2	C1	O1	111.0°	110.6°
C2	C1	O4	106.0°	103.5°
C1	C2	H2	110.9°	110.9°
C1	C2	H22C	111.9°	110.9°
C2	C1	H1	111.8°	110.6°
C4	C3	O3	111.0°	110.5°
C3	C4	C5	112.9°	109.8°
C3	C4	O4	105.0°	107.3°
C4	C3	H3	111.4°	110.6°
C3	C4	H4	111.2°	109.9°
O3	C3	H3	107.8°	110.5°
C3	O3	HO3	109.5°	114.0°
C5	C4	O4	112.3°	109.8°
C4	C5	O5	111.5°	109.5°
C5	C4	H4	103.8°	109.8°
C4	C5	H51	108.8°	109.5°
C4	C5	H52	108.4°	109.5°
C4	O4	C1	106.8°	106.9°
O4	C4	H4	111.8°	110.1°
O5	C5	H51	108.8°	109.5°
O5	C5	H52	108.3°	109.5°
C5	O5	HO5	109.5°	114.1°
O1	C1	O4	112.5°	110.6°
O1	C1	H1	105.2°	110.6°
C1	O1	HO1	109.5°	114.0°
O4	C1	H1	110.4°	110.7°
H2	C2	H22C	106.2°	110.9°
H51	C5	H52	111.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H2	120.0°	118.2°
C3	C2	C1	H22C	121.7°	118.2°
C2	C3	C4	O3	116.3°	118.7°
C2	C3	C4	H3	123.5°	118.7°
C2	C3	O3	H3	123.8°	122.5°
C2	C3	C4	C5	149.3°	121.4°
C2	C3	C4	O4	26.6°	2.0°
C3	C2	C1	O1	136.4°	155.5°
C3	C2	C1	O4	13.9°	37.0°
C3	C2	H2	H22C	121.8°	123.7°
C3	C2	C1	H1	106.4°	81.6°
C2	C3	C4	H4	94.5°	117.6°
C2	C3	O3	HO3	85.5°	61.3°
C1	C2	C3	C4	7.6°	20.9°
C1	C2	C3	O3	125.8°	97.8°
C2	C1	O4	C4	31.7°	40.1°
C2	C1	O1	O4	118.6°	114.1°
C2	C1	O1	H1	121.2°	122.9°
C2	C1	O4	H1	121.3°	118.6°
C1	C2	H2	H22C	121.7°	123.6°
C1	C2	C3	H3	114.2°	139.6°
C2	C1	O1	HO1	86.1°	180.0°
C4	C3	O3	H3	122.2°	122.7°
C3	C4	C5	O4	118.5°	117.8°
C3	C4	C5	H4	120.5°	121.0°
C3	C4	O4	H4	120.8°	119.5°
C3	C4	C5	O5	160.4°	175.0°
C3	C4	O4	C1	36.7°	26.5°
C4	C3	C2	H2	127.6°	97.3°
C4	C3	C2	H22C	114.1°	139.0°
C4	C3	O3	HO3	28.4°	176.1°
C3	C4	C5	H51	79.6°	55.0°
C3	C4	C5	H52	41.3°	65.0°
O3	C3	C4	C5	94.4°	119.9°
O3	C3	C4	O4	142.9°	120.7°
O3	C3	C2	H2	114.2°	144.0°
O3	C3	C2	H22C	4.2°	20.3°
O3	C3	C4	H4	21.8°	1.1°
C5	C4	O4	H4	116.2°	121.1°
C4	C5	O5	H51	120.0°	120.0°
C4	C5	O5	H52	119.2°	120.0°
C5	C4	O4	C1	159.7°	145.9°
C5	C4	C3	H3	25.8°	2.8°
C4	C5	H51	H52	119.2°	120.0°
C4	C5	O5	HO5	110.3°	180.0°
O4	C4	C5	O5	41.9°	67.2°
C4	O4	C1	O1	153.3°	158.6°
O4	C4	C3	H3	96.9°	116.6°
C4	O4	C1	H1	89.5°	78.5°
O4	C4	C5	H51	161.9°	172.9°
O4	C4	C5	H52	77.2°	52.9°
O5	C5	C4	H4	79.0°	54.0°
O5	C5	H51	H52	119.2°	120.0°
O1	C1	O4	H1	117.2°	122.9°
O1	C1	C2	H2	16.4°	37.4°
O1	C1	C2	H22C	102.0°	86.3°
O4	C1	C2	H2	106.1°	81.1°
O4	C1	C2	H22C	135.6°	155.2°
C1	O4	C4	H4	84.1°	93.0°
O4	C1	O1	HO1	155.3°	65.9°
H2	C2	C3	H3	5.8°	21.5°
H2	C2	C1	H1	133.6°	160.2°
H22C	C2	C3	H3	124.2°	102.2°
H22C	C2	C1	H1	15.2°	36.6°
H3	C3	C4	H4	142.0°	123.7°
H3	C3	O3	HO3	150.6°	61.2°
H1	C1	O1	HO1	35.1°	57.1°
H4	C4	C5	H51	41.0°	66.0°
H4	C4	C5	H52	161.8°	174.1°
H51	C5	O5	HO5	129.7°	60.0°
H52	C5	O5	HO5	8.9°	60.0°

Definition date:	2009-07-20
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	2WNV