Z4S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	sing	1.43Å	1.45Å
C4	C5	sing	1.54Å	1.53Å
C4	C3	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
C5	O5	sing	1.45Å	1.47Å
C5	C6	sing	1.55Å	1.49Å
C5	H5	sing	1.09Å	1.10Å
O5	C1	sing	1.45Å	1.44Å
C6	O6	sing	1.44Å	1.41Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	C1	sing	1.44Å	1.46Å
C1	C2	sing	1.54Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
C2	N2	sing	1.47Å	1.48Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.10Å
N2	C7	sing	1.35Å	1.32Å
N2	HN2	sing	0.97Å	1.00Å
C7	C8	sing	1.51Å	1.52Å
C7	O7	doub	1.21Å	1.23Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C3	O3	sing	1.43Å	1.47Å
C3	H3	sing	1.09Å	1.10Å
HO3	O3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C5	116.3°	109.6°
O4	C4	C3	103.7°	109.6°
O4	C4	H4	109.5°	109.6°
C4	O4	HO4	109.5°	114.0°
C5	C4	C3	110.3°	108.6°
C5	C4	H4	108.4°	109.7°
C4	C5	O5	114.1°	107.2°
C4	C5	C6	101.0°	107.7°
C4	C5	H5	112.5°	112.6°
C3	C4	H4	108.5°	109.8°
C4	C3	C2	109.4°	109.3°
C4	C3	O3	108.1°	109.5°
C4	C3	H3	108.9°	109.5°
O5	C5	C6	101.3°	102.6°
O5	C5	H5	113.5°	112.8°
C5	O5	C1	100.5°	102.7°
C6	C5	H5	113.2°	113.3°
C5	C6	O6	104.0°	104.9°
C5	C6	H61	110.8°	110.4°
C5	C6	H62	110.8°	110.4°
O5	C1	O6	104.5°	105.9°
O5	C1	C2	110.0°	107.5°
O5	C1	H1	112.0°	111.4°
O6	C6	H61	110.8°	110.3°
O6	C6	H62	110.8°	110.3°
C6	O6	C1	107.5°	106.9°
H61	C6	H62	109.5°	110.4°
O6	C1	C2	108.0°	108.2°
O6	C1	H1	111.6°	111.4°
C2	C1	H1	110.5°	112.1°
C1	C2	N2	109.6°	109.6°
C1	C2	C3	111.2°	108.8°
C1	C2	H2	108.8°	109.6°
N2	C2	C3	108.5°	109.5°
N2	C2	H2	109.6°	109.6°
C2	N2	C7	122.9°	120.0°
C2	N2	HN2	118.6°	120.0°
C3	C2	H2	109.0°	109.7°
C2	C3	O3	112.0°	109.5°
C2	C3	H3	108.8°	109.5°
C7	N2	HN2	118.6°	120.0°
N2	C7	C8	114.4°	120.0°
N2	C7	O7	124.3°	120.0°
C8	C7	O7	121.3°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.5°
H81	C8	H82	109.5°	109.4°
H81	C8	H83	109.4°	109.5°
H82	C8	H83	109.5°	109.4°
O3	C3	H3	109.6°	109.5°
C3	O3	HO3	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C5	C3	117.7°	119.7°
O4	C4	C5	H4	123.7°	120.3°
O4	C4	C3	H4	116.3°	120.4°
O4	C4	C5	O5	119.3°	55.0°
O4	C4	C5	C6	133.0°	164.8°
O4	C4	C5	H5	12.0°	69.6°
O4	C4	C3	C2	176.9°	67.7°
O4	C4	C3	O3	60.9°	172.4°
O4	C4	C3	H3	58.1°	52.3°
C5	C4	C3	H4	118.5°	119.9°
C4	C5	O5	C6	107.5°	113.3°
C4	C5	O5	H5	130.8°	124.5°
C4	C5	C6	H5	120.5°	125.2°
C4	C5	O5	C1	61.1°	75.1°
C4	C5	C6	O6	81.7°	90.1°
C4	C5	C6	H61	159.2°	151.1°
C4	C5	C6	H62	37.5°	28.7°
C5	C4	C3	C2	51.8°	51.9°
C5	C4	C3	O3	174.0°	68.0°
C5	C4	C3	H3	67.0°	171.9°
C5	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	O5	1.6°	64.7°
C3	C4	C5	C6	109.4°	45.1°
C3	C4	C5	H5	129.7°	170.7°
C4	C3	C2	C1	38.2°	51.5°
C4	C3	C2	N2	158.9°	68.3°
C4	C3	C2	O3	119.8°	119.9°
C4	C3	C2	H3	118.9°	120.0°
C4	C3	C2	H2	81.8°	171.4°
C4	C3	O3	H3	118.6°	120.1°
C4	C3	O3	HO3	180.0°	60.0°
C3	C4	O4	HO4	58.7°	179.1°
H4	C4	C5	O5	117.0°	175.3°
H4	C4	C5	C6	9.2°	74.9°
H4	C4	C5	H5	111.8°	50.7°
H4	C4	C3	C2	66.8°	171.8°
H4	C4	C3	O3	55.4°	51.9°
H4	C4	C3	H3	174.4°	68.1°
H4	C4	O4	HO4	56.9°	60.4°
O5	C5	C6	H5	121.9°	121.9°
O5	C5	C6	O6	35.9°	22.8°
O5	C5	C6	H61	83.2°	96.0°
O5	C5	C6	H62	155.0°	141.6°
C5	O5	C1	O6	39.9°	40.8°
C5	O5	C1	C2	75.8°	74.7°
C5	O5	C1	H1	161.0°	162.1°
C6	C5	O5	C1	46.5°	38.2°
C5	C6	O6	H61	119.2°	118.9°
C5	C6	O6	H62	119.1°	118.8°
C5	C6	H61	H62	122.5°	122.3°
C5	C6	O6	C1	11.5°	1.6°
H5	C5	O5	C1	168.1°	160.4°
H5	C5	C6	O6	157.8°	144.7°
H5	C5	C6	H61	38.7°	25.9°
H5	C5	C6	H62	83.1°	96.5°
O5	C1	O6	C6	17.9°	26.0°
O5	C1	O6	C2	117.1°	115.1°
O5	C1	O6	H1	121.3°	121.3°
O5	C1	C2	H1	124.2°	122.8°
O5	C1	C2	N2	93.8°	55.9°
O5	C1	C2	C3	26.2°	63.9°
O5	C1	C2	H2	146.3°	176.1°
O6	C6	H61	H62	122.5°	122.2°
C6	O6	C1	C2	99.2°	89.0°
C6	O6	C1	H1	139.2°	147.3°
H61	C6	O6	C1	107.7°	120.6°
H62	C6	O6	C1	130.6°	117.2°
O6	C1	C2	H1	122.3°	123.2°
O6	C1	C2	N2	152.7°	169.8°
O6	C1	C2	C3	87.3°	50.1°
O6	C1	C2	H2	32.8°	69.9°
C1	C2	N2	C3	121.7°	119.3°
C1	C2	N2	H2	119.4°	120.3°
C1	C2	C3	H2	120.0°	119.9°
C1	C2	N2	C7	124.3°	85.0°
C1	C2	N2	HN2	55.7°	95.0°
C1	C2	C3	O3	158.0°	68.4°
C1	C2	C3	H3	80.7°	171.5°
H1	C1	C2	N2	30.4°	66.9°
H1	C1	C2	C3	150.4°	173.3°
H1	C1	C2	H2	89.5°	53.3°
N2	C2	C3	H2	119.3°	120.3°
C2	N2	C7	HN2	180.0°	179.9°
C2	N2	C7	C8	179.3°	180.0°
C2	N2	C7	O7	1.6°	0.0°
N2	C2	C3	O3	81.3°	171.8°
N2	C2	C3	H3	40.0°	51.7°
C3	C2	N2	C7	114.1°	155.6°
C3	C2	N2	HN2	66.0°	24.3°
C2	C3	O3	H3	120.9°	120.1°
C2	C3	O3	HO3	59.5°	179.8°
H2	C2	N2	C7	4.9°	35.3°
H2	C2	N2	HN2	175.1°	144.7°
H2	C2	C3	O3	38.0°	51.5°
H2	C2	C3	H3	159.3°	68.6°
N2	C7	C8	O7	179.1°	180.0°
N2	C7	C8	H81	179.1°	0.0°
N2	C7	C8	H82	59.1°	120.0°
N2	C7	C8	H83	60.9°	120.0°
HN2	N2	C7	C8	0.6°	0.1°
HN2	N2	C7	O7	178.4°	179.9°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
O7	C7	C8	H81	0.0°	180.0°
O7	C7	C8	H82	120.0°	60.0°
O7	C7	C8	H83	120.0°	59.9°
H81	C8	H82	H83	120.0°	120.0°
H3	C3	O3	HO3	61.4°	60.1°

Release date:	2018-03-14
Definition date:	2012-12-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2F2L