8EX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1S	S1	doub	1.42Å	1.51Å
S1	O6	sing	1.52Å	1.52Å
S1	O3S	doub	1.42Å	1.59Å
S1	O2S	sing	1.52Å	1.63Å
O6	C6	sing	1.43Å	1.38Å
O5	C1	sing	1.43Å	1.44Å
O5	C5	sing	1.43Å	1.48Å
O1	C1	sing	1.43Å	1.41Å
C6	C5	sing	1.53Å	1.53Å
O5S	S2	doub	1.42Å	1.45Å
C1	C2	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.53Å
S2	O4	sing	1.52Å	1.56Å
S2	O6S	doub	1.42Å	1.48Å
S2	O4S	sing	1.52Å	1.47Å
O4	C4	sing	1.43Å	1.42Å
C2	N2	sing	1.47Å	1.48Å
C2	C3	sing	1.53Å	1.46Å
C4	C3	sing	1.53Å	1.55Å
O7	C7	doub	1.21Å	1.23Å
N2	C7	sing	1.35Å	1.31Å
C7	C8	sing	1.51Å	1.55Å
C3	O3	sing	1.43Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	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
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
O1	HO1	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O2S	H14	sing	0.97Å	0.95Å
O4S	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1S	S1	O6	102.9°	106.4°
O1S	S1	O3S	99.6°	123.2°
O1S	S1	O2S	119.9°	106.4°
O6	S1	O3S	116.9°	106.4°
O6	S1	O2S	102.4°	107.2°
S1	O6	C6	114.9°	114.0°
O3S	S1	O2S	115.2°	106.4°
S1	O2S	H14	109.5°	114.1°
O6	C6	C5	108.3°	109.5°
O6	C6	H61	109.8°	109.5°
O6	C6	H62	109.8°	109.5°
C1	O5	C5	103.7°	114.1°
O5	C1	O1	95.6°	109.5°
O5	C1	C2	106.9°	109.4°
O5	C1	H1	119.4°	109.5°
O5	C5	C6	109.7°	109.5°
O5	C5	C4	109.8°	109.4°
O5	C5	H5	109.9°	109.5°
O1	C1	C2	92.0°	109.4°
O1	C1	H1	120.2°	109.5°
C1	O1	HO1	109.5°	114.0°
C6	C5	C4	108.8°	109.5°
C6	C5	H5	109.2°	109.5°
C5	C6	H61	109.8°	109.5°
C5	C6	H62	109.8°	109.4°
O5S	S2	O4	104.9°	106.4°
O5S	S2	O6S	104.8°	123.1°
O5S	S2	O4S	113.1°	106.4°
C1	C2	N2	105.7°	109.5°
C1	C2	C3	107.5°	109.2°
C2	C1	H1	117.7°	109.5°
C1	C2	H2	109.6°	109.6°
C5	C4	O4	108.9°	109.6°
C5	C4	C3	110.4°	109.2°
C5	C4	H4	109.8°	109.5°
C4	C5	H5	109.3°	109.4°
O4	S2	O6S	110.2°	106.4°
O4	S2	O4S	107.8°	107.2°
S2	O4	C4	125.5°	114.0°
O6S	S2	O4S	115.6°	106.4°
S2	O4S	H15	109.5°	114.0°
O4	C4	C3	106.7°	109.5°
O4	C4	H4	111.4°	109.5°
N2	C2	C3	113.0°	109.5°
C2	N2	C7	123.8°	120.0°
N2	C2	H2	110.3°	109.5°
C2	N2	HN2	118.1°	120.1°
C2	C3	C4	108.3°	109.0°
C2	C3	O3	107.2°	109.6°
C3	C2	H2	110.5°	109.5°
C2	C3	H3	111.2°	109.5°
C4	C3	O3	108.4°	109.6°
C4	C3	H3	110.0°	109.6°
C3	C4	H4	109.6°	109.6°
O7	C7	N2	123.8°	120.0°
O7	C7	C8	120.1°	120.0°
N2	C7	C8	115.9°	120.0°
C7	N2	HN2	118.1°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.4°	109.4°
C7	C8	H83	109.4°	109.5°
O3	C3	H3	111.6°	109.5°
C3	O3	HO3	109.5°	114.0°
H61	C6	H62	109.5°	109.4°
H81	C8	H82	109.5°	109.4°
H81	C8	H83	109.4°	109.5°
H82	C8	H83	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1S	S1	O6	O3S	108.0°	132.9°
O1S	S1	O6	O2S	125.0°	113.6°
O1S	S1	O3S	O2S	129.7°	123.0°
O1S	S1	O6	C6	160.6°	38.6°
O1S	S1	O2S	H14	0.0°	66.5°
O6	S1	O3S	O2S	120.4°	114.1°
S1	O6	C6	C5	113.2°	180.0°
S1	O6	C6	H61	127.0°	60.0°
S1	O6	C6	H62	6.6°	60.0°
O6	S1	O2S	H14	113.0°	180.0°
O3S	S1	O6	C6	52.6°	171.5°
O3S	S1	O2S	H14	118.9°	66.4°
O2S	S1	O6	C6	74.4°	75.0°
O6	C6	C5	O5	54.5°	65.8°
O6	C6	C5	H61	119.8°	120.0°
O6	C6	C5	H62	119.8°	120.0°
O6	C6	C5	C4	174.7°	174.3°
O6	C6	C5	H5	66.1°	54.2°
O6	C6	H61	H62	120.5°	120.0°
O5	C1	O1	C2	107.2°	119.9°
O5	C1	O1	H1	128.9°	120.1°
C1	O5	C5	C6	174.6°	178.8°
O5	C1	C2	H1	137.7°	120.0°
C1	O5	C5	C4	65.8°	61.2°
O5	C1	C2	N2	166.6°	177.5°
O5	C1	C2	C3	72.4°	57.7°
O5	C1	C2	H2	47.7°	62.3°
C1	O5	C5	H5	54.5°	58.7°
O5	C1	O1	HO1	180.0°	60.1°
C5	O5	C1	O1	166.8°	178.9°
O5	C5	C6	C4	120.2°	119.9°
O5	C5	C6	H5	120.5°	120.0°
C5	O5	C1	C2	73.1°	61.2°
O5	C5	C4	H5	120.6°	119.9°
O5	C5	C4	O4	60.8°	62.3°
O5	C5	C4	C3	56.1°	57.6°
C5	O5	C1	H1	63.7°	58.8°
O5	C5	C4	H4	177.0°	177.6°
O5	C5	C6	H61	65.3°	174.2°
O5	C5	C6	H62	174.3°	54.2°
O1	C1	C2	H1	125.8°	120.1°
O1	C1	C2	N2	70.1°	62.6°
O1	C1	C2	C3	168.9°	177.6°
O1	C1	C2	H2	48.8°	57.6°
C6	C5	C4	H5	119.2°	120.1°
C6	C5	C4	O4	59.4°	57.7°
C6	C5	C4	C3	176.2°	177.6°
C6	C5	C4	H4	62.8°	62.4°
C5	C6	H61	H62	120.6°	120.0°
O5S	S2	O4	O6S	112.4°	132.9°
O5S	S2	O4	O4S	120.7°	113.5°
O5S	S2	O6S	O4S	125.2°	122.9°
O5S	S2	O4	C4	116.3°	173.6°
O5S	S2	O4S	H15	0.0°	66.4°
C1	C2	N2	C3	117.4°	119.7°
C1	C2	N2	H2	118.4°	120.2°
C1	C2	C3	H2	119.6°	120.0°
C1	C2	C3	C4	58.9°	57.0°
C1	C2	N2	C7	123.7°	85.0°
C1	C2	C3	O3	175.6°	176.9°
C1	C2	C3	H3	62.1°	62.9°
C1	C2	N2	HN2	56.3°	95.0°
C2	C1	O1	HO1	72.8°	180.0°
C5	C4	O4	S2	98.9°	133.7°
C5	C4	O4	C3	119.2°	119.8°
C5	C4	O4	H4	121.3°	120.1°
C5	C4	C3	C2	52.4°	57.0°
C5	C4	C3	H4	121.1°	119.9°
C5	C4	C3	O3	168.3°	176.9°
C5	C4	C3	H3	69.4°	62.9°
C4	C5	C6	H61	54.9°	54.2°
C4	C5	C6	H62	65.5°	65.7°
O4	S2	O6S	O4S	122.4°	114.1°
S2	O4	C4	C3	141.9°	106.5°
S2	O4	C4	H4	22.4°	13.6°
O4	S2	O4S	H15	115.5°	180.0°
O6S	S2	O4	C4	3.9°	40.7°
O6S	S2	O4S	H15	120.8°	66.4°
O4S	S2	O4	C4	123.0°	72.8°
O4	C4	C3	C2	65.9°	63.0°
O4	C4	C3	H4	120.7°	120.1°
O4	C4	C3	O3	50.1°	56.9°
O4	C4	C3	H3	172.4°	177.1°
O4	C4	C5	H5	178.6°	177.7°
N2	C2	C3	H2	124.1°	120.1°
N2	C2	C3	C4	175.1°	176.9°
C2	N2	C7	O7	4.1°	0.0°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	C8	178.6°	180.0°
N2	C2	C3	O3	68.1°	63.2°
N2	C2	C1	H1	55.8°	57.5°
N2	C2	C3	H3	54.1°	56.9°
C2	C3	C4	O3	116.0°	119.9°
C2	C3	C4	H3	121.7°	119.9°
C3	C2	N2	C7	119.0°	155.3°
C2	C3	O3	H3	122.0°	120.2°
C3	C2	C1	H1	65.2°	62.3°
C2	C3	C4	H4	173.4°	176.9°
C3	C2	N2	HN2	61.1°	24.7°
C2	C3	O3	HO3	180.0°	59.9°
C4	C3	O3	H3	121.3°	120.2°
C4	C3	C2	H2	60.7°	63.0°
C3	C4	C5	H5	64.5°	62.3°
C4	C3	O3	HO3	63.3°	179.5°
O7	C7	N2	C8	174.5°	180.0°
O7	C7	C8	H81	0.0°	180.0°
O7	C7	C8	H82	120.0°	60.0°
O7	C7	C8	H83	120.0°	60.0°
O7	C7	N2	HN2	175.9°	180.0°
C7	N2	C2	H2	5.3°	35.2°
N2	C7	C8	H81	174.7°	0.0°
N2	C7	C8	H82	54.7°	120.0°
N2	C7	C8	H83	65.3°	120.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
C8	C7	N2	HN2	1.4°	0.0°
O3	C3	C2	H2	56.0°	56.9°
O3	C3	C4	H4	70.6°	63.2°
H1	C1	C2	H2	174.6°	177.7°
H1	C1	O1	HO1	51.0°	60.0°
H2	C2	C3	H3	178.3°	177.1°
H2	C2	N2	HN2	174.7°	144.8°
H3	C3	C4	H4	51.7°	57.0°
H3	C3	O3	HO3	58.0°	60.3°
H4	C4	C5	H5	56.4°	57.6°
H5	C5	C6	H61	174.2°	65.8°
H5	C5	C6	H62	53.7°	174.3°
H81	C8	H82	H83	120.0°	120.0°

Release date:	2018-01-17
Definition date:	2017-06-22
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	5XS8