GDL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.65Å
C1	O1	doub	1.21Å	1.25Å
C1	O5	sing	1.35Å	1.28Å
C2	C3	sing	1.53Å	1.65Å
C2	N2	sing	1.47Å	1.49Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.57Å
C3	O3	sing	1.43Å	1.42Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.51Å
C4	O4	sing	1.43Å	1.41Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.56Å
C5	O5	sing	1.46Å	1.47Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.44Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C7	C8	sing	1.51Å	1.55Å
C7	N2	sing	1.35Å	1.37Å
C7	O7	doub	1.21Å	1.24Å
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
O3	HO3	sing	0.97Å	0.99Å
O4	HO4	sing	0.97Å	0.99Å
O6	HO6	sing	0.97Å	0.99Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	113.8°	121.2°
C2	C1	O5	122.0°	117.7°
C1	C2	C3	112.7°	108.4°
C1	C2	N2	111.0°	109.7°
C1	C2	H2	105.9°	109.7°
O1	C1	O5	124.3°	121.2°
C1	O5	C5	122.5°	118.0°
C3	C2	N2	108.8°	109.7°
C3	C2	H2	108.3°	109.7°
C2	C3	C4	110.7°	109.1°
C2	C3	O3	107.9°	109.6°
C2	C3	H3	110.2°	109.5°
N2	C2	H2	110.0°	109.6°
C2	N2	C7	124.4°	120.0°
C2	N2	HN2	117.8°	120.0°
C4	C3	O3	110.9°	109.6°
C4	C3	H3	107.2°	109.5°
C3	C4	C5	108.4°	109.4°
C3	C4	O4	108.6°	109.5°
C3	C4	H4	110.9°	109.4°
O3	C3	H3	110.0°	109.5°
C3	O3	HO3	109.5°	106.8°
C5	C4	O4	110.1°	109.6°
C5	C4	H4	109.5°	109.4°
C4	C5	C6	110.4°	109.6°
C4	C5	O5	114.7°	108.9°
C4	C5	H5	104.6°	109.5°
O4	C4	H4	109.3°	109.4°
C4	O4	HO4	109.5°	106.8°
C6	C5	O5	107.5°	109.7°
C6	C5	H5	112.1°	109.5°
C5	C6	O6	107.9°	109.5°
C5	C6	H61	109.9°	109.5°
C5	C6	H62	110.4°	109.4°
O5	C5	H5	107.6°	109.6°
O6	C6	H61	109.9°	109.5°
O6	C6	H62	110.4°	109.4°
C6	O6	HO6	109.5°	106.8°
H61	C6	H62	108.4°	109.5°
C8	C7	N2	116.3°	120.0°
C8	C7	O7	119.8°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.4°	109.5°
C7	C8	H83	109.5°	109.5°
N2	C7	O7	123.0°	120.0°
C7	N2	HN2	117.8°	120.0°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.5°	109.4°
H82	C8	H83	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	180.0°	179.9°
C1	C2	C3	N2	123.6°	119.8°
C1	C2	C3	H2	116.8°	119.8°
C1	C2	N2	H2	116.9°	120.5°
C1	C2	C3	C4	24.5°	53.7°
C1	C2	C3	O3	146.0°	173.7°
C1	C2	C3	H3	93.9°	66.2°
C2	C1	O5	C5	3.8°	47.7°
C1	C2	N2	C7	48.1°	90.5°
C1	C2	N2	HN2	132.0°	89.5°
O1	C1	C2	C3	178.9°	132.2°
O1	C1	C2	N2	58.8°	12.4°
O1	C1	C2	H2	60.7°	108.1°
O1	C1	O5	C5	176.2°	132.2°
O5	C1	C2	C3	1.1°	47.7°
O5	C1	C2	N2	121.3°	167.5°
O5	C1	C2	H2	119.3°	72.0°
C1	O5	C5	C4	36.4°	50.4°
C1	O5	C5	C6	159.5°	170.4°
C1	O5	C5	H5	79.5°	69.4°
C3	C2	N2	H2	118.5°	120.4°
C2	C3	C4	O3	119.7°	120.0°
C2	C3	C4	H3	120.2°	119.9°
C2	C3	O3	H3	120.3°	120.2°
C2	C3	C4	C5	53.4°	61.0°
C2	C3	C4	O4	173.0°	178.9°
C2	C3	C4	H4	66.9°	58.9°
C3	C2	N2	C7	76.6°	150.5°
C3	C2	N2	HN2	103.4°	29.5°
C2	C3	O3	HO3	163.9°	60.0°
N2	C2	C3	C4	148.2°	173.5°
N2	C2	C3	O3	90.4°	66.5°
N2	C2	C3	H3	29.8°	53.6°
C2	N2	C7	C8	175.1°	180.0°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	O7	6.0°	0.0°
H2	C2	C3	C4	92.3°	66.1°
H2	C2	C3	O3	29.2°	53.9°
H2	C2	C3	H3	149.4°	174.0°
H2	C2	N2	C7	164.9°	30.0°
H2	C2	N2	HN2	15.1°	150.0°
C4	C3	O3	H3	118.4°	120.1°
C3	C4	C5	O4	118.7°	120.1°
C3	C4	C5	H4	121.1°	119.9°
C3	C4	O4	H4	121.2°	120.0°
C3	C4	C5	C6	177.2°	176.4°
C3	C4	C5	O5	61.2°	56.4°
C3	C4	C5	H5	56.4°	63.4°
C4	C3	O3	HO3	74.8°	179.7°
C3	C4	O4	HO4	91.4°	180.0°
O3	C3	C4	C5	173.1°	179.0°
O3	C3	C4	O4	67.3°	58.9°
O3	C3	C4	H4	52.8°	61.1°
H3	C3	C4	C5	66.9°	58.9°
H3	C3	C4	O4	52.7°	61.2°
H3	C3	C4	H4	172.9°	178.8°
H3	C3	O3	HO3	43.6°	60.2°
C5	C4	O4	H4	120.3°	120.0°
C4	C5	C6	O5	125.7°	119.5°
C4	C5	C6	H5	116.2°	120.2°
C4	C5	O5	H5	115.9°	119.8°
C4	C5	C6	O6	170.2°	180.0°
C4	C5	C6	H61	50.4°	60.0°
C4	C5	C6	H62	69.1°	60.1°
C5	C4	O4	HO4	150.0°	60.0°
O4	C4	C5	C6	58.5°	63.5°
O4	C4	C5	O5	180.0°	176.5°
O4	C4	C5	H5	62.3°	56.7°
H4	C4	C5	C6	61.6°	56.5°
H4	C4	C5	O5	59.9°	63.5°
H4	C4	C5	H5	177.5°	176.7°
H4	C4	O4	HO4	29.7°	60.1°
C6	C5	O5	H5	121.0°	120.3°
C5	C6	O6	H61	119.8°	120.1°
C5	C6	O6	H62	120.7°	119.9°
C5	C6	H61	H62	120.8°	120.0°
C5	C6	O6	HO6	103.7°	180.0°
O5	C5	C6	O6	64.1°	60.5°
O5	C5	C6	H61	176.2°	179.5°
O5	C5	C6	H62	56.7°	59.4°
H5	C5	C6	O6	54.0°	59.9°
H5	C5	C6	H61	65.7°	60.2°
H5	C5	C6	H62	174.7°	179.8°
O6	C6	H61	H62	120.7°	119.9°
H61	C6	O6	HO6	16.0°	59.9°
H62	C6	O6	HO6	135.5°	60.1°
C8	C7	N2	O7	169.2°	180.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	119.9°
C7	C8	H82	H83	120.0°	120.0°
C8	C7	N2	HN2	4.9°	0.0°
N2	C7	C8	H81	93.4°	180.0°
N2	C7	C8	H82	146.6°	60.0°
N2	C7	C8	H83	26.6°	60.1°
O7	C7	C8	H81	97.0°	0.1°
O7	C7	C8	H82	23.0°	119.9°
O7	C7	C8	H83	143.0°	120.0°
O7	C7	N2	HN2	174.1°	180.0°
H81	C8	H82	H83	120.0°	120.0°

Definition date:	2002-10-29
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	1O7A