6S2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	S1	doub	1.42Å	1.48Å
O9	S1	doub	1.42Å	1.48Å
S1	O8	sing	1.52Å	1.48Å
S1	O6	sing	1.52Å	1.53Å
O6	C6	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.52Å
O5	C5	sing	1.43Å	1.42Å
O5	C1	sing	1.43Å	1.43Å
O1	C10	sing	1.43Å	1.43Å
O1	C1	sing	1.43Å	1.43Å
C5	C4	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.43Å
C4	C3	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.53Å
C2	N2	sing	1.46Å	1.45Å
O7	C7	doub	1.21Å	1.22Å
C3	O3	sing	1.43Å	1.43Å
C7	N2	sing	1.35Å	1.33Å
C7	C8	sing	1.51Å	1.50Å
C1	H1	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C10	H24	sing	1.09Å	1.10Å
C10	H25	sing	1.09Å	1.10Å
C10	H26	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
O8	H1A	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	S1	O9	109.5°	123.2°
O21	S1	O8	109.6°	106.4°
O21	S1	O6	109.4°	106.4°
O9	S1	O8	109.7°	106.4°
O9	S1	O6	109.5°	106.4°
O8	S1	O6	109.2°	107.2°
S1	O8	H1A	109.5°	114.0°
S1	O6	C6	120.1°	114.0°
O6	C6	C5	109.3°	109.5°
O6	C6	H61	109.5°	109.5°
O6	C6	H62	109.5°	109.5°
C6	C5	O5	108.8°	109.5°
C6	C5	C4	112.6°	109.5°
C6	C5	H5	108.7°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.5°	109.5°
C5	O5	C1	112.3°	114.1°
O5	C5	C4	108.1°	109.4°
O5	C5	H5	110.0°	109.5°
O5	C1	O1	108.9°	109.4°
O5	C1	C2	111.1°	109.4°
O5	C1	H1	109.7°	109.5°
C10	O1	C1	112.1°	114.0°
O1	C10	H24	109.5°	109.4°
O1	C10	H25	109.5°	109.5°
O1	C10	H26	109.5°	109.4°
O1	C1	C2	108.9°	109.5°
O1	C1	H1	109.8°	109.5°
C5	C4	O4	110.6°	109.5°
C5	C4	C3	109.7°	109.2°
C4	C5	H5	108.7°	109.5°
C5	C4	H4	108.7°	109.5°
C1	C2	C3	113.0°	109.1°
C1	C2	N2	108.3°	109.5°
C2	C1	H1	108.4°	109.5°
C1	C2	H2	108.5°	109.6°
O4	C4	C3	109.1°	109.5°
O4	C4	H4	110.0°	109.6°
C4	O4	HO4	109.5°	114.0°
C4	C3	C2	112.4°	109.0°
C4	C3	O3	108.9°	109.6°
C3	C4	H4	108.7°	109.6°
C4	C3	H3	108.3°	109.6°
C3	C2	N2	109.2°	109.5°
C2	C3	O3	109.3°	109.6°
C2	C3	H3	108.3°	109.6°
C3	C2	H2	108.4°	109.5°
C2	N2	C7	122.2°	120.0°
N2	C2	H2	109.4°	109.6°
C2	N2	HN2	118.9°	120.0°
O7	C7	N2	122.3°	120.0°
O7	C7	C8	122.1°	120.0°
O3	C3	H3	109.6°	109.6°
C3	O3	HO3	109.5°	114.0°
N2	C7	C8	115.6°	120.0°
C7	N2	HN2	118.9°	120.0°
C7	C8	H81	109.5°	109.4°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.5°
H61	C6	H62	109.4°	109.5°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.4°	109.4°
H82	C8	H83	109.5°	109.5°
H24	C10	H25	109.5°	109.5°
H24	C10	H26	109.5°	109.5°
H25	C10	H26	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	S1	O9	O8	120.3°	122.9°
O21	S1	O9	O6	120.0°	123.0°
O21	S1	O8	O6	119.8°	113.5°
O21	S1	O6	C6	177.2°	38.5°
O21	S1	O8	H1A	0.0°	66.5°
O9	S1	O8	O6	119.9°	113.5°
O9	S1	O6	C6	62.8°	171.5°
O9	S1	O8	H1A	120.3°	66.5°
O8	S1	O6	C6	57.3°	75.0°
S1	O6	C6	C5	174.8°	180.0°
S1	O6	C6	H61	54.8°	60.0°
S1	O6	C6	H62	65.2°	60.0°
O6	S1	O8	H1A	119.8°	180.0°
O6	C6	C5	H61	120.0°	120.0°
O6	C6	C5	H62	120.0°	120.0°
O6	C6	C5	O5	55.0°	65.0°
O6	C6	C5	C4	64.8°	175.1°
O6	C6	C5	H5	174.7°	55.0°
O6	C6	H61	H62	120.1°	120.0°
C6	C5	O5	C4	122.5°	120.0°
C6	C5	O5	H5	118.9°	120.0°
C6	C5	O5	C1	169.4°	178.9°
C6	C5	C4	H5	120.4°	120.0°
C6	C5	C4	O4	58.9°	62.6°
C6	C5	C4	C3	179.2°	177.6°
C5	C6	H61	H62	120.1°	120.0°
C6	C5	C4	H4	62.0°	57.6°
C5	O5	C1	O1	179.2°	178.8°
O5	C5	C4	H5	119.4°	120.0°
C5	O5	C1	C2	60.8°	61.2°
O5	C5	C4	O4	179.0°	177.5°
O5	C5	C4	C3	60.6°	57.6°
C5	O5	C1	H1	59.1°	58.9°
O5	C5	C6	H61	174.9°	175.0°
O5	C5	C6	H62	65.0°	55.0°
O5	C5	C4	H4	58.1°	62.3°
O5	C1	O1	C10	104.5°	65.0°
O5	C1	O1	C2	121.3°	120.0°
O5	C1	O1	H1	120.1°	120.0°
C1	O5	C5	C4	68.0°	61.2°
O5	C1	C2	H1	120.6°	120.0°
O5	C1	C2	C3	46.7°	57.6°
O5	C1	C2	N2	167.8°	177.5°
C1	O5	C5	H5	50.5°	58.9°
O5	C1	C2	H2	73.6°	62.3°
C10	O1	C1	C2	134.1°	175.0°
C10	O1	C1	H1	15.6°	54.9°
O1	C10	H24	H25	120.0°	120.0°
O1	C10	H24	H26	120.0°	120.0°
O1	C10	H25	H26	120.0°	120.0°
O1	C1	C2	H1	119.4°	120.0°
O1	C1	C2	C3	166.7°	177.6°
O1	C1	C2	N2	72.2°	62.5°
O1	C1	C2	H2	46.4°	57.7°
C1	O1	C10	H24	180.0°	180.0°
C1	O1	C10	H25	60.0°	60.0°
C1	O1	C10	H26	60.0°	60.0°
C5	C4	O4	C3	120.7°	119.7°
C5	C4	O4	H4	120.1°	120.2°
C5	C4	C3	H4	118.7°	120.0°
C5	C4	C3	C2	49.1°	57.0°
C5	C4	C3	O3	170.4°	176.9°
C4	C5	C6	H61	55.2°	55.1°
C4	C5	C6	H62	175.2°	64.9°
C5	C4	C3	H3	70.5°	62.9°
C5	C4	O4	HO4	180.0°	60.1°
C1	C2	C3	C4	42.5°	57.0°
C1	C2	C3	N2	120.5°	119.9°
C1	C2	C3	H2	120.3°	119.9°
C1	C2	N2	H2	118.1°	120.2°
C1	C2	C3	O3	163.6°	176.9°
C1	C2	N2	C7	82.5°	85.0°
C1	C2	C3	H3	77.1°	62.9°
C1	C2	N2	HN2	97.5°	95.0°
O4	C4	C3	H4	119.9°	120.2°
O4	C4	C3	C2	170.4°	176.9°
O4	C4	C3	O3	68.3°	63.3°
O4	C4	C5	H5	61.6°	57.5°
O4	C4	C3	H3	50.8°	57.0°
C4	C3	C2	O3	121.1°	119.9°
C4	C3	C2	H3	119.6°	119.9°
C4	C3	C2	N2	163.1°	176.9°
C4	C3	O3	H3	118.3°	120.2°
C3	C4	C5	H5	58.8°	62.4°
C4	C3	O3	HO3	180.0°	60.0°
C4	C3	C2	H2	77.8°	63.0°
C3	C4	O4	HO4	59.3°	179.7°
C3	C2	N2	H2	118.5°	120.1°
C2	C3	O3	H3	118.5°	120.2°
C3	C2	N2	C7	154.1°	155.3°
C3	C2	C1	H1	73.9°	62.4°
C2	C3	C4	H4	69.7°	63.0°
C2	C3	O3	HO3	56.8°	179.6°
C3	C2	N2	HN2	25.9°	24.7°
C2	N2	C7	O7	12.8°	0.0°
N2	C2	C3	O3	75.9°	63.2°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	C8	167.1°	180.0°
N2	C2	C1	H1	47.1°	57.5°
N2	C2	C3	H3	43.4°	57.0°
O7	C7	N2	C8	179.9°	180.0°
O7	C7	N2	HN2	167.2°	180.0°
O7	C7	C8	H81	0.0°	120.0°
O7	C7	C8	H82	120.0°	0.0°
O7	C7	C8	H83	120.0°	120.0°
O3	C3	C4	H4	51.6°	56.9°
O3	C3	C2	H2	43.3°	56.9°
C7	N2	C2	H2	35.6°	35.2°
N2	C7	C8	H81	179.9°	60.0°
N2	C7	C8	H82	60.1°	180.0°
N2	C7	C8	H83	59.9°	60.0°
C8	C7	N2	HN2	12.9°	0.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	119.9°
C7	C8	H82	H83	120.0°	120.0°
H1	C1	C2	H2	165.8°	177.7°
H5	C5	C6	H61	65.3°	65.0°
H5	C5	C6	H62	54.7°	175.0°
H5	C5	C4	H4	177.5°	177.7°
H4	C4	C3	H3	170.7°	177.1°
H4	C4	O4	HO4	59.9°	60.1°
H3	C3	O3	HO3	61.7°	60.2°
H3	C3	C2	H2	162.6°	177.2°
H2	C2	N2	HN2	144.4°	144.8°
H81	C8	H82	H83	120.0°	120.0°
H24	C10	H25	H26	120.0°	120.1°

Release date:	2016-04-06
Definition date:	2015-03-04
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	4Y1X