DVG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.44Å	1.42Å
O3	V02	sing	1.85Å	1.94Å
C3	C2	sing	1.53Å	1.52Å
C2	O2	sing	1.42Å	1.41Å
C2	C1	sing	1.53Å	1.52Å
O2	V02	sing	1.84Å	1.99Å
O2	V06	sing	1.84Å	2.00Å
C1	O1	sing	1.43Å	1.41Å
O01	V02	sing	1.84Å	1.70Å
V02	O03	sing	1.84Å	1.88Å
V02	O09	sing	1.84Å	1.91Å
V06	O07	sing	1.84Å	1.76Å
V06	O08	sing	1.84Å	1.81Å
V06	O09	sing	1.84Å	1.84Å
C3	H32	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
O01	H011	sing	0.97Å	0.95Å
O03	H1	sing	0.97Å	0.95Å
O07	H3	sing	0.97Å	0.95Å
O08	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	O3	V02	113.1°	104.2°
O3	C3	C2	107.9°	105.9°
O3	C3	H32	109.9°	110.1°
O3	C3	H31	109.9°	110.2°
O3	V02	O2	81.1°	87.2°
O3	V02	O01	103.5°	120.8°
O3	V02	O03	88.5°	91.4°
O3	V02	O09	142.8°	118.0°
C3	C2	O2	104.9°	110.6°
C3	C2	C1	112.9°	109.4°
C2	C3	H32	109.9°	110.0°
C2	C3	H31	109.9°	110.1°
C3	C2	H2	108.9°	109.3°
O2	C2	C1	110.8°	109.3°
C2	O2	V02	113.6°	110.0°
C2	O2	V06	127.7°	115.1°
O2	C2	H2	110.4°	109.2°
C2	C1	O1	109.6°	109.5°
C1	C2	H2	108.9°	109.0°
C2	C1	H12	109.4°	109.5°
C2	C1	H11	109.4°	109.5°
V02	O2	V06	94.7°	89.1°
O2	V02	O01	103.3°	91.4°
O2	V02	O03	150.4°	177.2°
O2	V02	O09	80.3°	87.1°
O2	V06	O07	93.2°	113.6°
O2	V06	O08	89.5°	113.6°
O2	V06	O09	82.1°	87.2°
O1	C1	H12	109.4°	109.5°
O1	C1	H11	109.5°	109.4°
C1	O1	HO1	109.5°	114.0°
O01	V02	O03	106.1°	91.5°
O01	V02	O09	111.9°	120.9°
V02	O01	H011	109.5°	114.0°
O03	V02	O09	92.1°	91.5°
V02	O03	H1	109.5°	114.0°
V02	O09	V06	102.9°	89.0°
O07	V06	O08	119.4°	113.0°
O07	V06	O09	119.8°	113.6°
V06	O07	H3	109.5°	114.0°
O08	V06	O09	120.5°	113.5°
V06	O08	H4	109.5°	114.0°
H32	C3	H31	109.5°	110.5°
H12	C1	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	H32	119.8°	118.9°
O3	C3	C2	H31	119.8°	119.1°
O3	C3	C2	O2	47.3°	32.2°
O3	C3	C2	C1	168.0°	88.3°
C3	O3	V02	O2	14.9°	40.9°
C3	O3	V02	O01	86.8°	130.8°
C3	O3	V02	O03	167.0°	136.7°
C3	O3	V02	O09	75.6°	44.3°
O3	C3	H32	H31	120.8°	122.0°
O3	C3	C2	H2	70.9°	152.4°
V02	O3	C3	C2	38.5°	47.9°
O3	V02	O2	C2	13.9°	22.7°
O3	V02	O2	O01	101.9°	120.8°
O3	V02	O2	O03	70.8°	59.3°
O3	V02	O2	O09	147.7°	118.3°
O3	V02	O2	V06	148.8°	139.1°
O3	V02	O01	O03	92.4°	92.5°
O3	V02	O01	O09	168.6°	175.0°
O3	V02	O03	O09	142.8°	118.1°
O3	V02	O09	V06	62.2°	106.1°
V02	O3	C3	H32	158.2°	70.9°
V02	O3	C3	H31	81.3°	166.9°
O3	V02	O01	H011	180.0°	90.0°
O3	V02	O03	H1	180.0°	180.0°
C3	C2	O2	C1	122.2°	120.5°
C3	C2	O2	H2	117.2°	120.3°
C3	C2	C1	H2	121.1°	119.4°
C3	C2	O2	V02	36.4°	0.7°
C3	C2	O2	V06	153.1°	98.0°
C3	C2	C1	O1	54.1°	53.5°
C2	C3	H32	H31	120.7°	121.7°
C3	C2	C1	H12	174.1°	173.6°
C3	C2	C1	H11	66.0°	66.4°
O2	C2	C1	H2	121.5°	119.3°
C2	O2	V02	V06	134.9°	116.5°
O2	C2	C1	O1	63.3°	67.8°
C2	O2	V02	O01	115.8°	143.5°
C2	O2	V02	O03	56.9°	36.6°
C2	O2	V02	O09	133.8°	95.6°
C2	O2	V06	O07	116.7°	154.6°
C2	O2	V06	O08	2.8°	23.6°
C2	O2	V06	O09	123.7°	90.9°
O2	C2	C3	H32	167.0°	86.7°
O2	C2	C3	H31	72.5°	151.3°
O2	C2	C1	H12	56.7°	52.3°
O2	C2	C1	H11	176.7°	172.3°
C1	C2	O2	V02	158.5°	119.8°
C1	C2	O2	V06	84.7°	141.5°
C2	C1	O1	H12	120.0°	120.0°
C2	C1	O1	H11	120.0°	120.0°
C1	C2	C3	H32	72.2°	152.8°
C1	C2	C3	H31	48.3°	30.8°
C2	C1	H12	H11	119.9°	120.0°
C2	C1	O1	HO1	180.0°	180.0°
O2	V02	O01	O03	176.2°	180.0°
O2	V02	O01	O09	84.8°	87.4°
O2	V02	O03	O09	73.9°	58.9°
V02	O2	V06	O07	118.5°	93.7°
V02	O2	V06	O08	122.0°	135.3°
V02	O2	V06	O09	1.1°	20.9°
V02	O2	C2	H2	80.8°	121.0°
O2	V02	O01	H011	96.1°	177.6°
O2	V02	O03	H1	111.0°	120.8°
V06	O2	V02	O01	109.4°	100.1°
V06	O2	V02	O03	78.0°	79.8°
O2	V06	O07	O08	91.2°	131.3°
O2	V06	O07	O09	82.7°	97.5°
O2	V06	O08	O09	80.5°	97.5°
V06	O2	C2	H2	36.0°	22.3°
O2	V06	O07	H3	180.0°	180.0°
O2	V06	O08	H4	180.0°	180.0°
O1	C1	C2	H2	175.2°	173.0°
O1	C1	H12	H11	120.0°	119.9°
O01	V02	O03	O09	113.5°	121.0°
O01	V02	O09	V06	99.3°	69.0°
O01	V02	O03	H1	76.4°	59.1°
O03	V02	O09	V06	152.4°	161.6°
O03	V02	O01	H011	87.6°	2.4°
V02	O09	V06	O07	88.0°	93.7°
V02	O09	V06	O08	85.9°	135.4°
O09	V02	O01	H011	11.4°	95.0°
O09	V02	O03	H1	37.1°	61.9°
O07	V06	O08	O09	173.8°	131.2°
O07	V06	O08	H4	86.6°	48.8°
O08	V06	O07	H3	88.8°	48.8°
O09	V06	O07	H3	97.3°	82.4°
O09	V06	O08	H4	99.5°	82.4°
H32	C3	C2	H2	48.9°	33.5°
H31	C3	C2	H2	169.3°	88.5°
H2	C2	C1	H12	64.8°	67.0°
H2	C2	C1	H11	55.2°	53.0°
H12	C1	O1	HO1	60.0°	59.9°
H11	C1	O1	HO1	60.0°	60.0°

Release date:	2015-10-28
Definition date:	2015-04-29
Last modified:	2015-10-23
Release status:	REL
Processing site:	RCSB
Derived from:	4ZI4