TVG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.53Å	1.51Å
C8	C7	sing	1.53Å	1.53Å
C7	O1	sing	1.43Å	1.43Å
O1	C1	sing	1.43Å	1.41Å
O2	C2	sing	1.43Å	1.43Å
C2	C1	sing	1.55Å	1.52Å
C2	C3	sing	1.55Å	1.53Å
C1	O4	sing	1.44Å	1.44Å
O3	C3	sing	1.43Å	1.42Å
C3	C4	sing	1.54Å	1.52Å
O4	C4	sing	1.44Å	1.44Å
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.43Å
C6	O6	sing	1.43Å	1.42Å
C3	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C9	H93	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	110.1°	109.5°
C9	C8	H82	109.3°	109.5°
C9	C8	H81	109.3°	109.5°
C8	C9	H91	109.5°	109.5°
C8	C9	H92	109.5°	109.4°
C8	C9	H93	109.4°	109.5°
C8	C7	O1	114.1°	109.5°
C8	C7	H71	108.3°	109.4°
C8	C7	H72	108.3°	109.5°
C7	C8	H82	109.3°	109.4°
C7	C8	H81	109.3°	109.5°
C7	O1	C1	119.0°	114.0°
O1	C7	H71	108.3°	109.5°
O1	C7	H72	108.3°	109.5°
O1	C1	C2	111.5°	110.6°
O1	C1	O4	120.0°	110.6°
O1	C1	H1	107.1°	110.6°
O2	C2	C1	109.2°	110.9°
O2	C2	C3	111.0°	110.9°
O2	C2	H2	111.7°	110.8°
C2	O2	HO2	109.5°	113.9°
C1	C2	C3	104.4°	102.1°
C2	C1	O4	104.8°	103.5°
C1	C2	H2	110.2°	110.9°
C2	C1	H1	105.8°	110.6°
C2	C3	O3	114.6°	110.5°
C2	C3	C4	102.8°	104.2°
C2	C3	H3	108.7°	110.6°
C3	C2	H2	110.2°	110.9°
C1	O4	C4	110.8°	107.0°
O4	C1	H1	106.8°	110.7°
O3	C3	C4	111.4°	110.5°
O3	C3	H3	110.1°	110.4°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	100.6°	107.3°
C3	C4	C5	111.6°	109.9°
C4	C3	H3	108.8°	110.5°
C3	C4	H4	109.1°	109.8°
O4	C4	C5	115.9°	109.9°
O4	C4	H4	110.2°	109.9°
C4	C5	C6	114.7°	109.5°
C4	C5	O5	109.4°	109.5°
C5	C4	H4	109.0°	110.0°
C4	C5	H5	106.5°	109.5°
C6	C5	O5	111.6°	109.5°
C5	C6	O6	110.6°	109.5°
C6	C5	H5	106.6°	109.4°
C5	C6	H61	109.2°	109.5°
C5	C6	H62	109.2°	109.5°
O5	C5	H5	107.7°	109.4°
C5	O5	HO5	109.5°	113.9°
O6	C6	H61	109.2°	109.5°
O6	C6	H62	109.2°	109.5°
C6	O6	HO6	109.5°	114.0°
H61	C6	H62	109.5°	109.4°
H71	C7	H72	109.4°	109.5°
H82	C8	H81	109.5°	109.5°
H91	C9	H92	109.5°	109.5°
H91	C9	H93	109.5°	109.5°
H92	C9	H93	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H82	120.1°	120.0°
C9	C8	C7	H81	120.1°	120.0°
C9	C8	C7	O1	37.6°	180.0°
C9	C8	C7	H71	158.3°	60.0°
C9	C8	C7	H72	83.1°	60.0°
C9	C8	H82	H81	119.7°	120.0°
C8	C9	H91	H92	120.0°	120.0°
C8	C9	H91	H93	120.0°	120.0°
C8	C9	H92	H93	120.0°	120.0°
C8	C7	O1	H71	120.7°	120.0°
C8	C7	O1	H72	120.7°	120.0°
C8	C7	O1	C1	158.2°	180.0°
C8	C7	H71	H72	117.9°	120.0°
C7	C8	H82	H81	119.7°	120.0°
C7	C8	C9	H91	180.0°	60.0°
C7	C8	C9	H92	60.0°	60.0°
C7	C8	C9	H93	60.0°	180.0°
C7	O1	C1	C2	53.1°	175.0°
C7	O1	C1	O4	176.0°	70.9°
C7	O1	C1	H1	62.2°	52.1°
O1	C7	H71	H72	117.9°	120.0°
O1	C7	C8	H82	82.5°	60.0°
O1	C7	C8	H81	157.7°	60.0°
O1	C1	C2	O2	101.7°	86.3°
O1	C1	C2	O4	131.2°	118.5°
O1	C1	C2	H1	116.1°	122.9°
O1	C1	C2	C3	139.6°	155.5°
O1	C1	O4	H1	121.9°	123.0°
O1	C1	O4	C4	107.7°	158.6°
O1	C1	C2	H2	21.3°	37.3°
C1	O1	C7	H71	37.6°	60.0°
C1	O1	C7	H72	81.1°	60.0°
O2	C2	C1	C3	118.7°	118.2°
O2	C2	C1	H2	123.0°	123.6°
O2	C2	C3	H2	124.2°	123.6°
O2	C2	C1	O4	127.1°	155.2°
O2	C2	C3	O3	91.6°	102.2°
O2	C2	C3	C4	147.4°	139.1°
O2	C2	C3	H3	32.1°	20.4°
O2	C2	C1	H1	14.4°	36.7°
C1	C2	C3	H2	118.3°	118.2°
C2	C1	O4	H1	112.0°	118.5°
C1	C2	C3	O3	150.9°	139.6°
C1	C2	C3	C4	29.9°	20.9°
C2	C1	O4	C4	18.3°	40.1°
C1	C2	C3	H3	85.4°	97.8°
C1	C2	O2	HO2	180.0°	61.4°
C3	C2	C1	O4	8.3°	37.0°
C2	C3	O3	C4	116.2°	114.8°
C2	C3	O3	H3	122.9°	122.7°
C2	C3	C4	H3	115.2°	118.8°
C2	C3	C4	O4	39.8°	2.1°
C2	C3	C4	C5	163.4°	117.4°
C3	C2	O2	HO2	65.5°	174.1°
C3	C2	C1	H1	104.3°	81.5°
C2	C3	C4	H4	76.1°	121.5°
C2	C3	O3	HO3	180.0°	65.2°
C1	O4	C4	C3	37.0°	26.6°
C1	O4	C4	C5	157.5°	92.9°
O4	C1	C2	H2	109.9°	81.2°
C1	O4	C4	H4	78.1°	145.9°
O3	C3	C4	H3	121.6°	122.5°
O3	C3	C4	O4	163.1°	116.6°
O3	C3	C4	C5	73.4°	123.9°
O3	C3	C2	H2	32.6°	21.3°
O3	C3	C4	H4	47.1°	2.8°
C3	C4	O4	C5	120.5°	119.4°
C3	C4	O4	H4	115.1°	119.4°
C3	C4	C5	H4	120.6°	121.0°
C3	C4	C5	C6	172.5°	178.4°
C3	C4	C5	O5	61.2°	58.3°
C4	C3	C2	H2	88.4°	97.4°
C3	C4	C5	H5	54.8°	61.7°
C4	C3	O3	HO3	63.8°	180.0°
O4	C4	C5	H4	125.1°	121.1°
O4	C4	C5	C6	73.2°	60.5°
O4	C4	C5	O5	53.1°	59.5°
O4	C4	C3	H3	75.3°	120.9°
C4	O4	C1	H1	130.3°	78.4°
O4	C4	C5	H5	169.2°	179.5°
C4	C5	C6	O5	125.1°	120.0°
C4	C5	C6	H5	117.6°	120.0°
C4	C5	O5	H5	115.3°	120.0°
C4	C5	C6	O6	57.3°	175.0°
C5	C4	C3	H3	48.2°	1.4°
C4	C5	O5	HO5	180.0°	67.4°
C4	C5	C6	H61	177.5°	55.0°
C4	C5	C6	H62	62.8°	65.0°
C6	C5	O5	H5	116.6°	120.0°
C5	C6	O6	H61	120.2°	120.0°
C5	C6	O6	H62	120.2°	120.0°
C6	C5	C4	H4	51.9°	60.6°
C6	C5	O5	HO5	52.0°	52.7°
C5	C6	H61	H62	119.5°	120.0°
C5	C6	O6	HO6	180.0°	179.9°
O5	C5	C6	O6	67.8°	65.0°
O5	C5	C4	H4	178.2°	179.3°
O5	C5	C6	H61	52.4°	175.0°
O5	C5	C6	H62	172.1°	55.0°
O6	C6	C5	H5	174.9°	55.0°
O6	C6	H61	H62	119.4°	120.0°
H3	C3	C2	H2	156.3°	143.9°
H3	C3	C4	H4	168.7°	119.7°
H3	C3	O3	HO3	57.1°	57.5°
H2	C2	O2	HO2	57.9°	62.3°
H2	C2	C1	H1	137.4°	160.3°
H4	C4	C5	H5	65.7°	59.4°
H5	C5	O5	HO5	64.6°	172.6°
H5	C5	C6	H61	64.9°	65.0°
H5	C5	C6	H62	54.8°	175.0°
H61	C6	O6	HO6	59.8°	60.0°
H62	C6	O6	HO6	59.8°	60.0°
H71	C7	C8	H82	38.2°	180.0°
H71	C7	C8	H81	81.6°	60.0°
H72	C7	C8	H82	156.8°	60.0°
H72	C7	C8	H81	37.0°	180.0°
H82	C8	C9	H91	59.9°	180.0°
H82	C8	C9	H92	60.1°	60.0°
H82	C8	C9	H93	179.9°	60.0°
H81	C8	C9	H91	59.9°	60.0°
H81	C8	C9	H92	179.9°	180.0°
H81	C8	C9	H93	60.1°	60.0°
H91	C9	H92	H93	120.0°	120.0°

Release date:	2020-07-29
Definition date:	2020-04-01
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5LSH