SNG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.53Å
C1	O5	sing	0.00Å	1.47Å
C1	SE	sing	0.00Å	1.86Å
C1	H1	sing	0.00Å	1.10Å
C2	C3	sing	0.00Å	1.55Å
C2	N2	sing	0.00Å	1.48Å
C2	H2	sing	0.00Å	1.10Å
C3	C4	sing	0.00Å	1.54Å
C3	O3	sing	0.00Å	1.45Å
C3	H3	sing	0.00Å	1.10Å
C4	C5	sing	0.00Å	1.54Å
C4	O4	sing	0.00Å	1.42Å
C4	H4	sing	0.00Å	1.10Å
C5	C6	sing	0.00Å	1.55Å
C5	O5	sing	0.00Å	1.44Å
C5	H5	sing	0.00Å	1.10Å
C6	O6	sing	0.00Å	1.40Å
C6	H61	sing	0.00Å	1.10Å
C6	H62	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.50Å
C7	N2	sing	0.00Å	1.32Å
C7	O7	doub	0.00Å	1.27Å
C8	H81	sing	0.00Å	1.10Å
C8	H82	sing	0.00Å	1.10Å
C8	H83	sing	0.00Å	1.10Å
CM	SE	sing	0.00Å	1.81Å
CM	HMC1	sing	0.00Å	1.10Å
CM	HMC2	sing	0.00Å	1.10Å
CM	HMC3	sing	0.00Å	1.10Å
N2	HN2	sing	0.00Å	0.99Å
O3	HO3	sing	0.00Å	0.99Å
O4	HO4	sing	0.00Å	0.99Å
O6	HO6	sing	0.00Å	0.99Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	107.2°	90.0°
C2	C1	SE	111.6°	90.0°
C2	C1	H1	109.8°	90.0°
C1	C2	C3	109.8°	90.0°
C1	C2	N2	110.2°	90.0°
C1	C2	H2	108.3°	90.0°
O5	C1	SE	110.1°	90.0°
O5	C1	H1	111.3°	90.0°
C1	O5	C5	112.8°	90.0°
SE	C1	H1	106.9°	90.0°
C1	SE	CM	100.0°	90.0°
C3	C2	N2	108.0°	90.0°
C3	C2	H2	110.4°	90.0°
C2	C3	C4	111.6°	90.0°
C2	C3	O3	109.2°	90.0°
C2	C3	H3	108.3°	90.0°
N2	C2	H2	110.1°	90.0°
C2	N2	C7	124.4°	90.0°
C2	N2	HN2	117.8°	90.0°
C4	C3	O3	109.7°	90.0°
C4	C3	H3	107.8°	90.0°
C3	C4	C5	109.1°	90.0°
C3	C4	O4	108.6°	90.0°
C3	C4	H4	110.3°	90.0°
O3	C3	H3	110.3°	90.0°
C3	O3	HO3	109.5°	90.0°
C5	C4	O4	109.5°	90.0°
C5	C4	H4	109.4°	90.0°
C4	C5	C6	111.4°	90.0°
C4	C5	O5	107.5°	90.0°
C4	C5	H5	109.3°	90.0°
O4	C4	H4	109.9°	90.0°
C4	O4	HO4	109.5°	90.0°
C6	C5	O5	108.7°	90.0°
C6	C5	H5	108.0°	90.0°
C5	C6	O6	109.0°	90.0°
C5	C6	H61	109.6°	90.0°
C5	C6	H62	109.7°	90.0°
O5	C5	H5	111.9°	90.0°
O6	C6	H61	109.6°	90.0°
O6	C6	H62	109.8°	90.0°
C6	O6	HO6	109.5°	90.0°
H61	C6	H62	109.1°	90.0°
C8	C7	N2	115.2°	90.0°
C8	C7	O7	121.0°	90.0°
C7	C8	H81	109.5°	90.0°
C7	C8	H82	109.5°	90.0°
C7	C8	H83	109.5°	90.0°
N2	C7	O7	123.6°	90.0°
C7	N2	HN2	117.8°	90.0°
H81	C8	H82	109.5°	90.0°
H81	C8	H83	109.4°	90.0°
H82	C8	H83	109.5°	90.0°
SE	CM	HMC1	109.5°	90.0°
SE	CM	HMC2	109.5°	90.0°
SE	CM	HMC3	109.4°	90.0°
HMC1	CM	HMC2	109.5°	90.0°
HMC1	CM	HMC3	109.4°	90.0°
HMC2	CM	HMC3	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	SE	121.5°	90.0°
C2	C1	O5	H1	120.1°	90.0°
C2	C1	SE	H1	120.0°	90.0°
C1	C2	C3	N2	120.2°	90.0°
C1	C2	C3	H2	119.4°	90.0°
C1	C2	N2	H2	119.4°	90.0°
C1	C2	C3	C4	52.8°	90.0°
C1	C2	C3	O3	174.2°	90.0°
C1	C2	C3	H3	65.7°	90.0°
C2	C1	O5	C5	66.5°	90.0°
C1	C2	N2	C7	117.1°	90.0°
C2	C1	SE	CM	57.2°	90.0°
C1	C2	N2	HN2	62.9°	90.0°
O5	C1	SE	H1	121.1°	90.0°
O5	C1	C2	C3	56.2°	90.0°
O5	C1	C2	N2	175.1°	90.0°
O5	C1	C2	H2	64.4°	90.0°
C1	O5	C5	C4	67.6°	90.0°
C1	O5	C5	C6	171.6°	90.0°
C1	O5	C5	H5	52.3°	90.0°
O5	C1	SE	CM	61.7°	90.0°
SE	C1	C2	C3	176.9°	90.0°
SE	C1	C2	N2	64.3°	90.0°
SE	C1	C2	H2	56.2°	90.0°
SE	C1	O5	C5	172.0°	90.0°
C1	SE	CM	HMC1	3.3°	90.0°
C1	SE	CM	HMC2	116.7°	90.0°
C1	SE	CM	HMC3	123.3°	90.0°
H1	C1	C2	C3	64.8°	90.0°
H1	C1	C2	N2	54.0°	90.0°
H1	C1	C2	H2	174.5°	90.0°
H1	C1	O5	C5	53.6°	90.0°
H1	C1	SE	CM	177.3°	90.0°
C3	C2	N2	H2	120.6°	90.0°
C2	C3	C4	O3	121.1°	90.0°
C2	C3	C4	H3	118.8°	90.0°
C2	C3	O3	H3	118.9°	90.0°
C2	C3	C4	C5	53.3°	90.0°
C2	C3	C4	O4	172.6°	90.0°
C2	C3	C4	H4	66.9°	90.0°
C3	C2	N2	C7	122.9°	90.0°
C3	C2	N2	HN2	57.1°	90.0°
C2	C3	O3	HO3	179.4°	90.0°
N2	C2	C3	C4	173.0°	90.0°
N2	C2	C3	O3	65.6°	90.0°
N2	C2	C3	H3	54.5°	90.0°
C2	N2	C7	C8	1.2°	90.0°
C2	N2	C7	HN2	180.0°	90.0°
C2	N2	C7	O7	174.1°	90.0°
H2	C2	C3	C4	66.6°	90.0°
H2	C2	C3	O3	54.9°	90.0°
H2	C2	C3	H3	175.0°	90.0°
H2	C2	N2	C7	2.3°	90.0°
H2	C2	N2	HN2	177.7°	90.0°
C4	C3	O3	H3	118.6°	90.0°
C3	C4	C5	O4	118.7°	90.0°
C3	C4	C5	H4	120.8°	90.0°
C3	C4	O4	H4	120.8°	90.0°
C3	C4	C5	C6	177.6°	90.0°
C3	C4	C5	O5	58.5°	90.0°
C3	C4	C5	H5	63.1°	90.0°
C4	C3	O3	HO3	56.9°	90.0°
C3	C4	O4	HO4	75.8°	90.0°
O3	C3	C4	C5	174.4°	90.0°
O3	C3	C4	O4	66.3°	90.0°
O3	C3	C4	H4	54.2°	90.0°
H3	C3	C4	C5	65.5°	90.0°
H3	C3	C4	O4	53.8°	90.0°
H3	C3	C4	H4	174.3°	90.0°
H3	C3	O3	HO3	61.7°	90.0°
C5	C4	O4	H4	120.2°	90.0°
C4	C5	C6	O5	118.3°	90.0°
C4	C5	C6	H5	120.0°	90.0°
C4	C5	O5	H5	120.0°	90.0°
C4	C5	C6	O6	62.6°	90.0°
C4	C5	C6	H61	177.4°	90.0°
C4	C5	C6	H62	57.6°	90.0°
C5	C4	O4	HO4	165.1°	90.0°
O4	C4	C5	C6	63.7°	90.0°
O4	C4	C5	O5	177.3°	90.0°
O4	C4	C5	H5	55.6°	90.0°
H4	C4	C5	C6	56.8°	90.0°
H4	C4	C5	O5	62.2°	90.0°
H4	C4	C5	H5	176.1°	90.0°
H4	C4	O4	HO4	44.9°	90.0°
C6	C5	O5	H5	119.3°	90.0°
C5	C6	O6	H61	119.9°	90.0°
C5	C6	O6	H62	120.2°	90.0°
C5	C6	H61	H62	120.2°	90.0°
C5	C6	O6	HO6	117.4°	90.0°
O5	C5	C6	O6	55.7°	90.0°
O5	C5	C6	H61	64.2°	90.0°
O5	C5	C6	H62	175.9°	90.0°
H5	C5	C6	O6	177.3°	90.0°
H5	C5	C6	H61	57.4°	90.0°
H5	C5	C6	H62	62.4°	90.0°
O6	C6	H61	H62	120.2°	90.0°
H61	C6	O6	HO6	122.7°	90.0°
H62	C6	O6	HO6	2.8°	90.0°
C8	C7	N2	O7	175.4°	90.0°
C7	C8	H81	H82	120.0°	90.0°
C7	C8	H81	H83	120.0°	90.0°
C7	C8	H82	H83	120.0°	90.0°
C8	C7	N2	HN2	178.8°	90.0°
N2	C7	C8	H81	56.7°	90.0°
N2	C7	C8	H82	176.8°	90.0°
N2	C7	C8	H83	63.2°	90.0°
O7	C7	C8	H81	118.8°	90.0°
O7	C7	C8	H82	1.3°	90.0°
O7	C7	C8	H83	121.3°	90.0°
O7	C7	N2	HN2	5.9°	90.0°
H81	C8	H82	H83	120.0°	90.0°
SE	CM	HMC1	HMC2	120.0°	90.0°
SE	CM	HMC1	HMC3	120.0°	90.0°
SE	CM	HMC2	HMC3	120.0°	90.0°
HMC1	CM	HMC2	HMC3	120.0°	90.0°

Definition date:	2002-12-20
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	1O9V