ZDO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.44Å
O1	C1M	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C1M	H1M1	sing	1.09Å	1.10Å
C1M	H1M2	sing	1.09Å	1.10Å
C1M	H1M3	sing	1.09Å	1.10Å
C1	O5	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.53Å
C2	N2	sing	1.46Å	1.47Å
N2	HN21	sing	0.97Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
S2	N2	sing	1.66Å	1.63Å
S2	OSA	doub	1.42Å	1.50Å
S2	OSB	doub	1.42Å	1.50Å
S2	OSC	sing	1.52Å	1.50Å
OSC	HSC	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
C3	O3	sing	1.43Å	1.43Å
O3	HO3	sing	0.97Å	0.95Å
C3	C4	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.44Å
O4	HO4	sing	0.97Å	0.95Å
C4	C5	sing	1.53Å	1.52Å
C5	O5	sing	1.43Å	1.44Å
C5	H5	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.53Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.43Å
O6	S6	sing	1.52Å	1.43Å
S6	OS2	doub	1.42Å	1.50Å
S6	OS3	sing	1.52Å	1.50Å
S6	OS1	doub	1.42Å	1.50Å
OS3	HS3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C1M	108.9°	114.0°
O1	C1	H1	108.6°	109.5°
O1	C1	O5	110.1°	109.5°
O1	C1	C2	111.2°	109.4°
O1	C1M	H1M1	109.5°	109.5°
O1	C1M	H1M2	109.4°	109.4°
O1	C1M	H1M3	109.5°	109.5°
H1	C1	O5	108.6°	109.5°
H1	C1	C2	107.5°	109.5°
H1M1	C1M	H1M2	109.5°	109.5°
H1M1	C1M	H1M3	109.4°	109.6°
H1M2	C1M	H1M3	109.5°	109.4°
O5	C1	C2	110.7°	109.4°
C1	O5	C5	111.3°	114.1°
C1	C2	N2	110.3°	109.5°
C1	C2	H2	108.6°	109.5°
C1	C2	C3	110.2°	109.2°
C2	N2	HN21	109.1°	120.0°
N2	C2	H2	109.4°	109.5°
C2	N2	S2	111.0°	120.0°
N2	C2	C3	109.7°	109.5°
HN21	N2	S2	109.1°	120.0°
H2	C2	C3	108.6°	109.6°
N2	S2	OSA	109.1°	106.4°
N2	S2	OSB	109.5°	106.4°
N2	S2	OSC	109.8°	107.2°
OSA	S2	OSB	109.6°	123.2°
OSA	S2	OSC	109.2°	106.3°
OSB	S2	OSC	109.6°	106.4°
S2	OSC	HSC	109.5°	114.0°
C2	C3	H3	109.1°	109.5°
C2	C3	O3	109.6°	109.5°
C2	C3	C4	109.4°	109.0°
H3	C3	O3	110.5°	109.6°
H3	C3	C4	109.0°	109.6°
C3	O3	HO3	109.5°	114.0°
O3	C3	C4	109.3°	109.6°
C3	C4	H4	109.6°	109.5°
C3	C4	O4	109.1°	109.5°
C3	C4	C5	106.4°	109.1°
H4	C4	O4	111.0°	109.5°
H4	C4	C5	109.8°	109.5°
C4	O4	HO4	109.5°	114.0°
O4	C4	C5	110.8°	109.6°
C4	C5	O5	109.2°	109.4°
C4	C5	H5	109.2°	109.5°
C4	C5	C6	110.7°	109.4°
O5	C5	H5	110.3°	109.5°
O5	C5	C6	108.3°	109.5°
H5	C5	C6	109.1°	109.5°
C5	C6	H61	109.0°	109.5°
C5	C6	H62	109.0°	109.5°
C5	C6	O6	111.3°	109.4°
H61	C6	H62	109.5°	109.5°
H61	C6	O6	109.0°	109.5°
H62	C6	O6	109.0°	109.5°
C6	O6	S6	119.0°	114.0°
O6	S6	OS2	109.1°	106.4°
O6	S6	OS3	109.4°	107.2°
O6	S6	OS1	109.7°	106.4°
OS2	S6	OS3	109.7°	106.4°
OS2	S6	OS1	109.8°	123.1°
OS3	S6	OS1	109.2°	106.4°
S6	OS3	HS3	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	H1	O5	119.7°	120.1°
O1	C1	H1	C2	120.4°	120.0°
C1	O1	C1M	H1M1	180.0°	180.0°
C1	O1	C1M	H1M2	60.0°	60.0°
C1	O1	C1M	H1M3	60.0°	59.9°
O1	C1	O5	C2	123.4°	119.9°
O1	C1	C2	N2	52.1°	57.5°
O1	C1	C2	H2	171.9°	177.6°
O1	C1	C2	C3	69.3°	62.4°
O1	C1	O5	C5	63.9°	58.8°
C1M	O1	C1	H1	52.6°	50.0°
O1	C1M	H1M1	H1M2	120.0°	120.0°
O1	C1M	H1M1	H1M3	120.0°	120.1°
O1	C1M	H1M2	H1M3	120.0°	120.0°
C1M	O1	C1	O5	66.2°	70.1°
C1M	O1	C1	C2	170.7°	170.0°
H1	C1	O5	C2	117.8°	120.0°
H1	C1	C2	N2	66.7°	62.4°
H1	C1	C2	H2	53.1°	57.6°
H1	C1	C2	C3	172.0°	177.6°
H1	C1	O5	C5	177.2°	178.8°
H1M1	C1M	H1M2	H1M3	120.0°	120.1°
O5	C1	C2	N2	174.8°	177.5°
O5	C1	C2	H2	65.4°	62.4°
O5	C1	C2	C3	53.5°	57.6°
C1	O5	C5	C4	65.9°	61.2°
C1	O5	C5	H5	54.1°	58.8°
C1	O5	C5	C6	173.4°	178.9°
C1	C2	N2	H2	119.3°	120.1°
C1	C2	N2	C3	121.6°	119.7°
C1	C2	N2	HN21	152.5°	85.0°
C1	C2	H2	C3	119.9°	119.7°
C1	C2	N2	S2	87.2°	95.0°
C1	C2	C3	H3	64.7°	62.9°
C1	C2	C3	O3	174.3°	176.9°
C1	C2	C3	C4	54.5°	57.0°
C2	C1	O5	C5	59.4°	61.2°
C2	N2	HN21	S2	121.4°	180.0°
N2	C2	H2	C3	119.7°	120.2°
C2	N2	S2	OSA	110.8°	178.5°
C2	N2	S2	OSB	9.1°	48.6°
C2	N2	S2	OSC	129.5°	65.0°
N2	C2	C3	H3	57.0°	57.0°
N2	C2	C3	O3	64.1°	63.2°
N2	C2	C3	C4	176.2°	176.9°
HN21	N2	C2	H2	88.2°	154.9°
HN21	N2	S2	OSA	9.4°	1.5°
HN21	N2	S2	OSB	129.3°	131.5°
HN21	N2	S2	OSC	110.3°	115.0°
HN21	N2	C2	C3	30.9°	34.7°
H2	C2	N2	S2	32.1°	25.1°
H2	C2	C3	H3	176.5°	177.2°
H2	C2	C3	O3	55.4°	57.0°
H2	C2	C3	C4	64.3°	63.0°
N2	S2	OSA	OSB	119.8°	123.0°
N2	S2	OSA	OSC	120.1°	114.1°
N2	S2	OSB	OSC	120.5°	114.1°
N2	S2	OSC	HSC	119.6°	180.0°
S2	N2	C2	C3	151.1°	145.3°
OSA	S2	OSB	OSC	119.8°	122.9°
OSA	S2	OSC	HSC	0.0°	66.5°
OSB	S2	OSC	HSC	120.1°	66.4°
C2	C3	H3	O3	120.5°	120.2°
C2	C3	H3	C4	119.4°	119.5°
C2	C3	O3	C4	119.8°	119.6°
C2	C3	O3	HO3	180.0°	180.0°
C2	C3	C4	H4	59.4°	62.9°
C2	C3	C4	O4	178.8°	176.9°
C2	C3	C4	C5	59.2°	57.0°
H3	C3	O3	C4	120.0°	120.3°
H3	C3	O3	HO3	59.8°	59.8°
H3	C3	C4	H4	178.6°	177.2°
H3	C3	C4	O4	59.7°	57.1°
H3	C3	C4	C5	60.0°	62.9°
O3	C3	C4	H4	60.5°	57.0°
O3	C3	C4	O4	61.2°	63.2°
O3	C3	C4	C5	179.2°	176.9°
HO3	O3	C3	C4	60.2°	60.4°
C3	C4	H4	O4	120.6°	120.1°
C3	C4	H4	C5	116.6°	119.7°
C3	C4	O4	C5	116.9°	119.7°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	O5	64.6°	57.7°
C3	C4	C5	H5	56.1°	62.4°
C3	C4	C5	C6	176.2°	177.6°
H4	C4	O4	C5	122.2°	120.2°
H4	C4	O4	HO4	59.1°	59.9°
H4	C4	C5	O5	54.0°	62.3°
H4	C4	C5	H5	174.7°	177.7°
H4	C4	C5	C6	65.2°	57.7°
O4	C4	C5	O5	176.9°	177.6°
O4	C4	C5	H5	62.4°	57.5°
O4	C4	C5	C6	57.7°	62.5°
HO4	O4	C4	C5	63.1°	60.3°
C4	C5	O5	H5	120.0°	120.1°
C4	C5	O5	C6	120.7°	119.9°
C4	C5	H5	C6	121.1°	120.0°
C4	C5	C6	H61	173.5°	55.0°
C4	C5	C6	H62	54.0°	65.0°
C4	C5	C6	O6	66.3°	175.0°
O5	C5	H5	C6	118.9°	120.0°
O5	C5	C6	H61	66.8°	174.9°
O5	C5	C6	H62	173.7°	54.9°
O5	C5	C6	O6	53.4°	65.1°
H5	C5	C6	H61	53.3°	65.0°
H5	C5	C6	H62	66.2°	174.9°
H5	C5	C6	O6	173.6°	55.0°
C5	C6	H61	H62	119.2°	120.1°
C5	C6	H61	O6	121.7°	119.9°
C5	C6	H62	O6	121.7°	120.0°
C5	C6	O6	S6	173.8°	180.0°
H61	C6	H62	O6	119.2°	120.0°
H61	C6	O6	S6	66.0°	60.0°
H62	C6	O6	S6	53.5°	60.0°
C6	O6	S6	OS2	80.2°	38.5°
C6	O6	S6	OS3	39.7°	75.0°
C6	O6	S6	OS1	159.4°	171.4°
O6	S6	OS2	OS3	119.8°	114.1°
O6	S6	OS2	OS1	120.3°	123.0°
O6	S6	OS3	OS1	120.1°	113.5°
O6	S6	OS3	HS3	120.1°	180.0°
OS2	S6	OS3	OS1	120.3°	132.9°
OS2	S6	OS3	HS3	120.3°	66.4°
OS1	S6	OS3	HS3	0.0°	66.5°

Release date:	2020-07-29
Definition date:	2012-12-19
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB