LOG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.53Å	1.55Å
C2	N2	sing	1.47Å	1.49Å
C2	C1	sing	1.51Å	1.48Å
C3	C4	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.44Å
C6	O6	sing	1.43Å	1.43Å
C7	C8	sing	1.51Å	1.50Å
C7	N2	sing	1.35Å	1.36Å
C7	O7	doub	1.21Å	1.25Å
O1	N1	sing	1.42Å	1.35Å
O5	C1	sing	1.36Å	1.44Å
C1	N1	doub	1.28Å	1.22Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
C4	H4	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N2	114.3°	109.7°
C3	C2	C1	112.7°	108.3°
C2	C3	C4	112.2°	108.9°
C2	C3	O3	103.7°	109.6°
C3	C2	H2	103.9°	109.7°
C2	C3	H3	111.5°	109.6°
N2	C2	C1	110.4°	109.7°
C2	N2	C7	115.8°	120.0°
N2	C2	H2	106.5°	109.7°
C2	N2	HN2	122.1°	120.0°
C2	C1	O5	126.1°	118.0°
C2	C1	N1	114.1°	121.0°
C1	C2	H2	108.4°	109.8°
C4	C3	O3	109.5°	109.5°
C3	C4	C5	107.2°	109.4°
C3	C4	O4	106.6°	109.4°
C4	C3	H3	105.9°	109.6°
C3	C4	H4	113.6°	109.5°
O3	C3	H3	114.2°	109.7°
C3	O3	HO3	109.5°	114.0°
C5	C4	O4	111.8°	109.5°
C4	C5	C6	115.5°	109.5°
C4	C5	O5	110.0°	109.3°
C5	C4	H4	108.5°	109.5°
C4	C5	H5	103.8°	109.5°
O4	C4	H4	109.2°	109.5°
C4	O4	HO4	109.5°	114.0°
C6	C5	O5	105.7°	109.5°
C5	C6	O6	109.1°	109.5°
C6	C5	H5	108.3°	109.5°
C5	C6	H61	109.6°	109.5°
C5	C6	H62	109.7°	109.5°
C5	O5	C1	116.0°	115.7°
O5	C5	H5	113.9°	109.5°
O6	C6	H61	109.6°	109.4°
O6	C6	H62	109.7°	109.5°
C6	O6	HO6	109.5°	114.0°
C8	C7	N2	112.8°	120.0°
C8	C7	O7	124.9°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.4°
N2	C7	O7	122.2°	120.0°
C7	N2	HN2	122.1°	120.0°
O1	N1	C1	114.3°	120.0°
N1	O1	H1	109.5°	114.0°
O5	C1	N1	119.8°	121.0°
H61	C6	H62	109.2°	109.4°
H81	C8	H82	109.4°	109.5°
H81	C8	H83	109.5°	109.5°
H82	C8	H83	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N2	C1	128.3°	118.8°
C3	C2	N2	H2	114.2°	120.5°
C3	C2	C1	H2	114.5°	119.7°
C2	C3	C4	O3	114.5°	119.8°
C2	C3	C4	H3	121.9°	119.9°
C2	C3	O3	H3	121.5°	120.4°
C2	C3	C4	C5	58.6°	59.8°
C2	C3	C4	O4	178.5°	179.8°
C3	C2	N2	C7	72.7°	155.0°
C3	C2	C1	O5	3.3°	48.7°
C3	C2	C1	N1	179.5°	131.2°
C3	C2	N2	HN2	107.3°	25.0°
C2	C3	C4	H4	61.3°	60.2°
C2	C3	O3	HO3	39.8°	180.0°
N2	C2	C1	H2	116.3°	120.6°
N2	C2	C3	C4	155.0°	171.9°
N2	C2	C3	O3	87.0°	68.4°
C2	N2	C7	C8	175.9°	180.0°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	O7	0.3°	0.0°
N2	C2	C1	O5	132.5°	168.4°
N2	C2	C1	N1	50.3°	11.5°
N2	C2	C3	H3	36.3°	52.0°
C1	C2	C3	C4	27.8°	52.1°
C1	C2	C3	O3	145.9°	171.9°
C2	C1	O5	C5	11.4°	50.8°
C1	C2	N2	C7	55.6°	86.2°
C2	C1	N1	O1	177.6°	180.0°
C2	C1	O5	N1	177.1°	179.9°
C1	C2	C3	H3	90.8°	67.7°
C1	C2	N2	HN2	124.4°	93.8°
C4	C3	O3	H3	118.5°	120.3°
C3	C4	C5	O4	116.5°	119.9°
C3	C4	C5	H4	123.1°	120.0°
C3	C4	O4	H4	123.0°	120.0°
C3	C4	C5	C6	173.9°	178.5°
C3	C4	C5	O5	66.7°	58.6°
C4	C3	C2	H2	89.3°	67.6°
C4	C3	O3	HO3	159.7°	60.6°
C3	C4	C5	H5	55.6°	61.3°
C3	C4	O4	HO4	36.2°	180.0°
O3	C3	C4	C5	173.1°	179.6°
O3	C3	C4	O4	67.0°	60.4°
O3	C3	C2	H2	28.7°	52.1°
O3	C3	C4	H4	53.3°	59.6°
C5	C4	O4	H4	120.1°	120.1°
C4	C5	C6	O5	121.8°	119.8°
C4	C5	C6	H5	115.8°	120.1°
C4	C5	O5	H5	116.0°	120.0°
C4	C5	C6	O6	55.1°	175.0°
C4	C5	O5	C1	42.6°	53.7°
C5	C4	C3	H3	63.3°	60.0°
C5	C4	O4	HO4	80.7°	60.1°
C4	C5	C6	H61	175.1°	55.1°
C4	C5	C6	H62	65.1°	64.9°
O4	C4	C5	C6	57.4°	61.5°
O4	C4	C5	O5	176.9°	178.5°
O4	C4	C3	H3	56.6°	59.9°
O4	C4	C5	H5	60.9°	58.6°
C6	C5	O5	H5	118.7°	120.1°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.2°	120.1°
C6	C5	O5	C1	167.9°	173.7°
C6	C5	C4	H4	63.1°	58.5°
C5	C6	H61	H62	120.2°	120.0°
C5	C6	O6	HO6	109.4°	179.9°
O5	C5	C6	O6	66.7°	65.2°
C5	O5	C1	N1	171.5°	129.1°
O5	C5	C4	H4	56.4°	61.4°
O5	C5	C6	H61	53.2°	174.8°
O5	C5	C6	H62	173.1°	54.9°
O6	C6	C5	H5	170.9°	54.9°
O6	C6	H61	H62	120.2°	120.0°
C8	C7	N2	O7	176.3°	179.9°
C8	C7	N2	HN2	4.1°	0.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
C7	N2	C2	H2	173.1°	34.5°
N2	C7	C8	H81	74.4°	0.0°
N2	C7	C8	H82	45.6°	120.0°
N2	C7	C8	H83	165.6°	120.0°
O7	C7	N2	HN2	179.6°	180.0°
O7	C7	C8	H81	101.7°	180.0°
O7	C7	C8	H82	138.3°	60.0°
O7	C7	C8	H83	18.3°	60.1°
O1	N1	C1	O5	0.1°	0.1°
O5	C1	C2	H2	111.2°	71.0°
C1	O5	C5	H5	73.4°	66.2°
N1	C1	C2	H2	66.0°	109.1°
C1	N1	O1	H1	34.3°	180.0°
H2	C2	C3	H3	152.0°	172.5°
H2	C2	N2	HN2	6.9°	145.5°
H3	C3	C4	H4	176.8°	180.0°
H3	C3	O3	HO3	81.8°	59.6°
H4	C4	C5	H5	178.6°	178.6°
H4	C4	O4	HO4	159.2°	60.0°
H5	C5	C6	H61	69.1°	65.1°
H5	C5	C6	H62	50.7°	175.0°
H61	C6	O6	HO6	130.6°	60.0°
H62	C6	O6	HO6	10.8°	60.0°
H81	C8	H82	H83	120.0°	120.0°

Definition date:	2010-07-22
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	2XM2