MAG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.39Å
C1	O5	sing	1.42Å	1.43Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.54Å
C2	N2	sing	1.46Å	1.45Å
C2	H2	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.45Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.45Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.52Å
C5	O5	sing	1.43Å	1.45Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.42Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.12Å
C7	C8	sing	1.51Å	1.53Å
C7	N2	sing	1.35Å	1.34Å
C7	O7	doub	1.21Å	1.23Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
C8	H83	sing	1.09Å	1.12Å
N2	HN2	sing	0.97Å	1.02Å
O1	CM	sing	1.43Å	1.45Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
CM	HM1	sing	1.09Å	1.12Å
CM	HM2	sing	1.09Å	1.12Å
CM	HM3	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	116.4°	109.4°
C2	C1	O5	109.5°	109.8°
C2	C1	H1	103.2°	109.3°
C1	C2	C3	109.3°	109.0°
C1	C2	N2	110.4°	109.6°
C1	C2	H2	109.6°	109.6°
O1	C1	O5	104.4°	109.4°
O1	C1	H1	108.4°	109.4°
C1	O1	CM	116.8°	106.8°
O5	C1	H1	115.3°	109.4°
C1	O5	C5	113.3°	107.6°
C3	C2	N2	111.2°	109.6°
C3	C2	H2	108.7°	109.5°
C2	C3	C4	107.9°	108.6°
C2	C3	O3	109.9°	109.8°
C2	C3	H3	110.2°	109.6°
N2	C2	H2	107.7°	109.5°
C2	N2	C7	121.3°	120.1°
C2	N2	HN2	123.5°	119.9°
C4	C3	O3	109.5°	109.6°
C4	C3	H3	110.6°	109.6°
C3	C4	C5	109.3°	109.0°
C3	C4	O4	109.7°	109.7°
C3	C4	H4	109.8°	109.6°
O3	C3	H3	108.7°	109.6°
C3	O3	HO3	109.9°	106.9°
C5	C4	O4	110.4°	109.6°
C5	C4	H4	109.0°	109.5°
C4	C5	C6	112.8°	109.4°
C4	C5	O5	110.9°	109.8°
C4	C5	H5	105.2°	109.4°
O4	C4	H4	108.6°	109.5°
C4	O4	HO4	109.7°	106.9°
C6	C5	O5	106.2°	109.5°
C6	C5	H5	109.9°	109.4°
C5	C6	O6	111.0°	109.5°
C5	C6	H61	111.7°	109.5°
C5	C6	H62	111.7°	109.4°
O5	C5	H5	111.9°	109.4°
O6	C6	H61	111.7°	109.5°
O6	C6	H62	111.6°	109.5°
C6	O6	HO6	111.0°	106.8°
H61	C6	H62	98.7°	109.4°
C8	C7	N2	118.7°	120.0°
C8	C7	O7	120.0°	120.0°
C7	C8	H81	118.7°	109.5°
C7	C8	H82	108.9°	109.5°
C7	C8	H83	108.9°	109.5°
N2	C7	O7	121.3°	119.9°
C7	N2	HN2	115.2°	120.0°
H81	C8	H82	108.9°	109.4°
H81	C8	H83	108.9°	109.5°
H82	C8	H83	101.1°	109.4°
O1	CM	HM1	116.8°	109.5°
O1	CM	HM2	109.5°	109.4°
O1	CM	HM3	109.6°	109.5°
HM1	CM	HM2	109.5°	109.5°
HM1	CM	HM3	109.6°	109.5°
HM2	CM	HM3	100.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	120.8°	120.4°
C2	C1	O1	H1	115.7°	119.7°
C2	C1	O5	H1	115.9°	120.0°
C1	C2	C3	N2	122.1°	120.0°
C1	C2	C3	H2	119.5°	119.9°
C1	C2	N2	H2	119.5°	120.2°
C1	C2	C3	C4	59.7°	53.7°
C1	C2	C3	O3	179.0°	173.5°
C1	C2	C3	H3	61.2°	66.0°
C2	C1	O5	C5	60.4°	67.6°
C1	C2	N2	C7	120.2°	90.4°
C1	C2	N2	HN2	59.9°	89.5°
C2	C1	O1	CM	64.6°	179.8°
O1	C1	O5	H1	118.8°	119.8°
O1	C1	C2	C3	179.0°	178.5°
O1	C1	C2	N2	58.3°	58.6°
O1	C1	C2	H2	60.0°	61.6°
O1	C1	O5	C5	174.3°	172.3°
C1	O1	CM	HM1	179.9°	179.9°
C1	O1	CM	HM2	54.8°	60.0°
C1	O1	CM	HM3	54.7°	59.9°
O5	C1	C2	C3	61.0°	61.3°
O5	C1	C2	N2	176.4°	178.8°
O5	C1	C2	H2	58.0°	58.6°
C1	O5	C5	C4	58.0°	67.5°
C1	O5	C5	C6	179.1°	172.4°
C1	O5	C5	H5	59.2°	52.5°
O5	C1	O1	CM	56.2°	59.8°
H1	C1	C2	C3	62.4°	58.8°
H1	C1	C2	N2	60.2°	61.2°
H1	C1	C2	H2	178.6°	178.7°
H1	C1	O5	C5	55.5°	52.4°
H1	C1	O1	CM	179.7°	60.1°
C3	C2	N2	H2	118.9°	120.2°
C2	C3	C4	O3	119.6°	119.9°
C2	C3	C4	H3	120.6°	119.7°
C2	C3	O3	H3	120.7°	120.5°
C2	C3	C4	C5	56.6°	53.7°
C2	C3	C4	O4	177.8°	173.7°
C2	C3	C4	H4	62.9°	66.1°
C3	C2	N2	C7	118.3°	150.0°
C3	C2	N2	HN2	61.7°	30.1°
C2	C3	O3	HO3	180.0°	179.2°
N2	C2	C3	C4	178.2°	173.7°
N2	C2	C3	O3	58.8°	66.5°
N2	C2	C3	H3	60.9°	54.0°
C2	N2	C7	C8	0.1°	180.0°
C2	N2	C7	HN2	180.0°	179.9°
C2	N2	C7	O7	179.2°	0.1°
H2	C2	C3	C4	59.8°	66.2°
H2	C2	C3	O3	59.5°	53.6°
H2	C2	C3	H3	179.3°	174.1°
H2	C2	N2	C7	0.6°	29.9°
H2	C2	N2	HN2	179.4°	150.3°
C4	C3	O3	H3	120.9°	120.3°
C3	C4	C5	O4	120.8°	120.0°
C3	C4	C5	H4	120.0°	119.8°
C3	C4	O4	H4	120.0°	120.3°
C3	C4	C5	C6	174.4°	178.7°
C3	C4	C5	O5	55.4°	61.2°
C3	C4	C5	H5	65.8°	58.9°
C4	C3	O3	HO3	61.6°	60.0°
C3	C4	O4	HO4	179.9°	179.6°
O3	C3	C4	C5	176.2°	173.6°
O3	C3	C4	O4	62.6°	66.4°
O3	C3	C4	H4	56.7°	53.9°
H3	C3	C4	C5	64.1°	66.1°
H3	C3	C4	O4	57.1°	53.9°
H3	C3	C4	H4	176.4°	174.2°
H3	C3	O3	HO3	59.3°	60.3°
C5	C4	O4	H4	119.4°	120.1°
C4	C5	C6	O5	121.7°	120.4°
C4	C5	C6	H5	117.1°	119.8°
C4	C5	O5	H5	117.2°	120.1°
C4	C5	C6	O6	61.6°	179.7°
C4	C5	C6	H61	173.1°	59.6°
C4	C5	C6	H62	63.6°	60.3°
C5	C4	O4	HO4	59.4°	59.9°
O4	C4	C5	C6	64.8°	58.6°
O4	C4	C5	O5	176.2°	178.8°
O4	C4	C5	H5	55.0°	61.1°
H4	C4	C5	C6	54.4°	61.5°
H4	C4	C5	O5	64.6°	58.6°
H4	C4	C5	H5	174.2°	178.7°
H4	C4	O4	HO4	60.0°	60.2°
C6	C5	O5	H5	120.0°	119.8°
C5	C6	O6	H61	125.3°	120.1°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	117.5°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	60.1°	60.0°
O5	C5	C6	H61	65.2°	180.0°
O5	C5	C6	H62	174.7°	60.0°
H5	C5	C6	O6	178.7°	59.9°
H5	C5	C6	H61	56.0°	60.1°
H5	C5	C6	H62	53.4°	179.9°
O6	C6	H61	H62	117.5°	120.0°
H61	C6	O6	HO6	54.7°	59.9°
H62	C6	O6	HO6	54.7°	60.1°
C8	C7	N2	O7	179.3°	179.9°
C7	C8	H81	H82	125.3°	120.0°
C7	C8	H81	H83	125.3°	120.0°
C7	C8	H82	H83	114.6°	120.0°
C8	C7	N2	HN2	179.9°	0.1°
N2	C7	C8	H81	180.0°	179.9°
N2	C7	C8	H82	54.7°	60.0°
N2	C7	C8	H83	54.7°	60.0°
O7	C7	C8	H81	0.7°	0.0°
O7	C7	C8	H82	126.0°	119.9°
O7	C7	C8	H83	124.6°	120.1°
O7	C7	N2	HN2	0.8°	180.0°
H81	C8	H82	H83	114.6°	120.0°
O1	CM	HM1	HM2	125.2°	120.0°
O1	CM	HM1	HM3	125.3°	120.0°
O1	CM	HM2	HM3	115.3°	120.0°
HM1	CM	HM2	HM3	115.4°	120.0°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Replaces:	1NA
Derived from:	1GSL