Z9H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C7	sing	1.43Å	1.43Å
O4	C4	sing	1.43Å	1.43Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.54Å
C4	C3	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C5	O5	sing	1.43Å	1.45Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.10Å
O5	C1	sing	1.43Å	1.43Å
C6	O6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	S1	sing	1.52Å	1.60Å
S1	O7	sing	1.52Å	1.43Å
S1	O8	doub	1.42Å	1.43Å
S1	O12	doub	1.42Å	1.42Å
O7	HO7	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.42Å
C3	C2	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.10Å
O3	C8	sing	1.43Å	1.43Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H63	sing	1.09Å	1.10Å
C2	O2	sing	1.43Å	1.44Å
C2	C1	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
O2	S2	sing	1.52Å	1.61Å
S2	O9	doub	1.42Å	1.42Å
S2	O10	sing	1.52Å	1.43Å
S2	O11	doub	1.42Å	1.43Å
O10	HO10	sing	0.97Å	0.95Å
C1	O1	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
HO1	O1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	O4	C4	113.4°	114.0°
O4	C7	H11	109.5°	109.5°
O4	C7	H12	109.5°	109.4°
O4	C7	H13	109.5°	109.5°
O4	C4	C5	109.4°	109.5°
O4	C4	C3	111.4°	109.6°
O4	C4	H4	110.3°	109.5°
H11	C7	H12	109.4°	109.4°
H11	C7	H13	109.5°	109.5°
H12	C7	H13	109.4°	109.5°
C5	C4	C3	108.1°	109.2°
C5	C4	H4	108.8°	109.5°
C4	C5	O5	108.9°	109.4°
C4	C5	C6	110.6°	109.5°
C4	C5	H5	109.8°	109.5°
C3	C4	H4	108.8°	109.6°
C4	C3	O3	109.4°	109.5°
C4	C3	C2	107.9°	109.1°
C4	C3	H3	109.1°	109.5°
O5	C5	C6	106.6°	109.5°
O5	C5	H5	111.1°	109.5°
C5	O5	C1	112.7°	114.1°
C6	C5	H5	109.7°	109.5°
C5	C6	O6	106.9°	109.5°
C5	C6	H61	110.1°	109.5°
C5	C6	H62	110.1°	109.4°
O5	C1	C2	109.7°	109.4°
O5	C1	O1	110.5°	109.5°
O5	C1	H1	111.1°	109.5°
O6	C6	H61	110.1°	109.5°
O6	C6	H62	110.1°	109.5°
C6	O6	S1	117.8°	114.0°
H61	C6	H62	109.4°	109.4°
O6	S1	O7	105.2°	107.2°
O6	S1	O8	106.7°	106.4°
O6	S1	O12	104.0°	106.4°
O7	S1	O8	113.5°	106.4°
O7	S1	O12	112.0°	106.4°
S1	O7	HO7	109.5°	114.0°
O8	S1	O12	114.4°	123.1°
O3	C3	C2	111.0°	109.5°
O3	C3	H3	110.6°	109.5°
C3	O3	C8	112.3°	114.0°
C2	C3	H3	108.9°	109.6°
C3	C2	O2	109.2°	109.5°
C3	C2	C1	109.1°	109.1°
C3	C2	H2	110.3°	109.5°
O3	C8	H6	109.5°	109.5°
O3	C8	H7	109.5°	109.5°
O3	C8	H63	109.5°	109.5°
H6	C8	H7	109.5°	109.5°
H6	C8	H63	109.4°	109.4°
H7	C8	H63	109.5°	109.5°
O2	C2	C1	106.0°	109.5°
O2	C2	H2	111.9°	109.5°
C2	O2	S2	115.6°	114.0°
C1	C2	H2	110.3°	109.6°
C2	C1	O1	104.9°	109.5°
C2	C1	H1	109.4°	109.4°
O2	S2	O9	104.4°	106.4°
O2	S2	O10	105.4°	107.3°
O2	S2	O11	104.7°	106.4°
O9	S2	O10	113.2°	106.4°
O9	S2	O11	113.4°	123.1°
O10	S2	O11	114.4°	106.4°
S2	O10	HO10	109.5°	114.0°
O1	C1	H1	111.1°	109.5°
C1	O1	HO1	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C7	H11	H12	120.0°	120.0°
O4	C7	H11	H13	120.0°	120.0°
O4	C7	H12	H13	120.0°	120.0°
C7	O4	C4	C5	102.2°	144.5°
C7	O4	C4	C3	138.3°	95.8°
C7	O4	C4	H4	17.3°	24.4°
C4	O4	C7	H11	180.0°	54.7°
C4	O4	C7	H12	60.0°	174.7°
C4	O4	C7	H13	60.0°	65.3°
O4	C4	C5	C3	121.5°	119.9°
O4	C4	C5	H4	120.5°	120.1°
O4	C4	C3	H4	121.8°	120.2°
O4	C4	C5	O5	176.9°	177.5°
O4	C4	C5	C6	60.1°	62.5°
O4	C4	C5	H5	61.2°	57.5°
O4	C4	C3	O3	59.1°	63.2°
O4	C4	C3	C2	180.0°	176.9°
O4	C4	C3	H3	61.9°	56.9°
H11	C7	H12	H13	120.0°	120.0°
C5	C4	C3	H4	117.9°	119.9°
C4	C5	O5	C6	119.3°	120.0°
C4	C5	O5	H5	121.1°	120.0°
C4	C5	C6	H5	121.3°	120.0°
C4	C5	O5	C1	63.3°	61.1°
C4	C5	C6	O6	128.8°	174.9°
C4	C5	C6	H61	111.6°	54.8°
C4	C5	C6	H62	9.2°	65.1°
C5	C4	C3	O3	179.3°	176.9°
C5	C4	C3	C2	59.8°	57.0°
C5	C4	C3	H3	58.3°	63.0°
C3	C4	C5	O5	61.6°	57.6°
C3	C4	C5	C6	178.5°	177.6°
C3	C4	C5	H5	60.3°	62.4°
C4	C3	O3	C2	119.0°	119.6°
C4	C3	O3	H3	120.1°	120.1°
C4	C3	C2	H3	118.2°	119.9°
C4	C3	O3	C8	116.7°	150.0°
C4	C3	C2	O2	173.2°	176.9°
C4	C3	C2	C1	57.8°	57.0°
C4	C3	C2	H2	63.4°	63.0°
H4	C4	C5	O5	56.4°	62.4°
H4	C4	C5	C6	60.5°	57.6°
H4	C4	C5	H5	178.3°	177.6°
H4	C4	C3	O3	62.7°	57.0°
H4	C4	C3	C2	58.2°	62.9°
H4	C4	C3	H3	176.3°	177.1°
O5	C5	C6	H5	120.4°	120.0°
O5	C5	C6	O6	10.5°	65.1°
O5	C5	C6	H61	130.1°	174.8°
O5	C5	C6	H62	109.1°	54.9°
C5	O5	C1	C2	61.0°	61.2°
C5	O5	C1	O1	54.1°	58.8°
C5	O5	C1	H1	177.9°	178.9°
C6	C5	O5	C1	177.4°	178.8°
C5	C6	O6	H61	119.6°	120.0°
C5	C6	O6	H62	119.6°	120.0°
C5	C6	H61	H62	121.2°	119.9°
C5	C6	O6	S1	152.1°	180.0°
H5	C5	O5	C1	57.9°	58.8°
H5	C5	C6	O6	109.9°	54.9°
H5	C5	C6	H61	9.7°	65.2°
H5	C5	C6	H62	130.4°	174.9°
O5	C1	C2	C3	57.5°	57.6°
O5	C1	C2	O2	175.0°	177.5°
O5	C1	C2	O1	118.7°	120.0°
O5	C1	C2	H1	122.1°	120.0°
O5	C1	C2	H2	63.7°	62.3°
O5	C1	O1	H1	123.8°	120.1°
O5	C1	O1	HO1	180.0°	60.0°
O6	C6	H61	H62	121.2°	120.0°
C6	O6	S1	O7	120.2°	75.0°
C6	O6	S1	O8	0.7°	171.4°
C6	O6	S1	O12	121.9°	38.5°
H61	C6	O6	S1	88.3°	60.0°
H62	C6	O6	S1	32.5°	60.0°
O6	S1	O7	O8	116.2°	113.6°
O6	S1	O7	O12	112.3°	113.5°
O6	S1	O8	O12	114.4°	122.9°
O6	S1	O7	HO7	112.3°	180.0°
O7	S1	O8	O12	130.3°	122.9°
O8	S1	O7	HO7	131.5°	66.4°
O12	S1	O7	HO7	0.0°	66.5°
O3	C3	C2	H3	121.9°	120.2°
C3	O3	C8	H6	180.0°	180.0°
C3	O3	C8	H7	60.0°	60.0°
C3	O3	C8	H63	60.0°	60.1°
O3	C3	C2	O2	67.0°	63.3°
O3	C3	C2	C1	177.6°	176.9°
O3	C3	C2	H2	56.4°	56.9°
C2	C3	O3	C8	124.3°	90.4°
C3	C2	O2	C1	117.4°	119.6°
C3	C2	O2	H2	122.4°	120.2°
C3	C2	C1	H2	121.2°	119.9°
C3	C2	O2	S2	103.8°	145.0°
C3	C2	C1	O1	61.2°	62.4°
C3	C2	C1	H1	179.6°	177.6°
H3	C3	O3	C8	3.4°	29.8°
H3	C3	C2	O2	55.0°	56.9°
H3	C3	C2	C1	60.5°	62.9°
H3	C3	C2	H2	178.3°	177.1°
O3	C8	H6	H7	120.0°	120.0°
O3	C8	H6	H63	120.0°	120.0°
O3	C8	H7	H63	120.0°	120.1°
H6	C8	H7	H63	119.9°	119.9°
O2	C2	C1	H2	121.3°	120.2°
C2	O2	S2	O9	56.7°	38.6°
C2	O2	S2	O10	62.8°	75.0°
C2	O2	S2	O11	176.1°	171.4°
O2	C2	C1	O1	56.3°	57.5°
O2	C2	C1	H1	62.9°	62.5°
C1	C2	O2	S2	138.9°	95.4°
C2	C1	O1	H1	118.1°	120.0°
C2	C1	O1	HO1	61.9°	180.0°
H2	C2	O2	S2	18.6°	24.8°
H2	C2	C1	O1	177.6°	177.7°
H2	C2	C1	H1	58.4°	57.7°
O2	S2	O9	O10	114.1°	114.2°
O2	S2	O9	O11	113.3°	122.9°
O2	S2	O10	O11	114.4°	113.6°
O2	S2	O10	HO10	113.5°	179.9°
O9	S2	O10	O11	132.1°	132.9°
O9	S2	O10	HO10	0.0°	66.4°
O11	S2	O10	HO10	132.1°	66.5°
H1	C1	O1	HO1	56.2°	60.0°

Release date:	2020-07-29
Definition date:	2012-12-17
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1E03