EAG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.41Å
O1	C9	sing	1.43Å	1.43Å
C2	N2	sing	1.47Å	1.45Å
C2	C3	sing	1.53Å	1.52Å
N2	C7	sing	1.35Å	1.33Å
C7	O7	doub	1.21Å	1.24Å
C7	C8	sing	1.51Å	1.50Å
C3	O3	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.51Å
C4	O4	sing	1.43Å	1.40Å
C4	C5	sing	1.53Å	1.54Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.42Å
C6	O6	sing	1.43Å	1.41Å
C9	C10	sing	1.53Å	86.56Å
C10	N10	sing	1.47Å	0.00Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	0.00Å
C10	H10A	sing	1.09Å	0.00Å
N10	HN10	sing	1.01Å	0.00Å
N10	HN1A	sing	1.01Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	107.8°	109.5°
O1	C1	O5	108.2°	109.5°
C1	O1	C9	121.2°	114.0°
O1	C1	H1	111.6°	109.5°
C2	C1	O5	110.1°	109.4°
C1	C2	N2	110.7°	109.5°
C1	C2	C3	113.9°	109.2°
C2	C1	H1	109.7°	109.5°
C1	C2	H2	105.9°	109.6°
C1	O5	C5	113.6°	114.1°
O5	C1	H1	109.4°	109.5°
O1	C9	C10	20.4°	109.4°
O1	C9	H9	160.2°	109.5°
O1	C9	H9A	161.0°	109.4°
N2	C2	C3	110.6°	109.5°
C2	N2	C7	119.6°	120.0°
N2	C2	H2	109.5°	109.5°
C2	N2	HN2	120.2°	120.0°
C2	C3	O3	107.9°	109.6°
C2	C3	C4	108.6°	109.0°
C3	C2	H2	106.0°	109.5°
C2	C3	H3	110.6°	109.6°
N2	C7	O7	122.5°	120.0°
N2	C7	C8	117.0°	120.0°
C7	N2	HN2	120.2°	120.0°
O7	C7	C8	120.5°	120.0°
C7	C8	H81	109.5°	109.4°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.5°
O3	C3	C4	108.1°	109.6°
O3	C3	H3	111.1°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	107.3°	109.5°
C3	C4	C5	110.0°	109.2°
C4	C3	H3	110.5°	109.6°
C3	C4	H4	111.2°	109.5°
O4	C4	C5	111.3°	109.5°
O4	C4	H4	109.9°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	C6	111.8°	109.5°
C4	C5	O5	110.4°	109.4°
C5	C4	H4	107.1°	109.6°
C4	C5	H5	107.1°	109.5°
C6	C5	O5	109.2°	109.4°
C5	C6	O6	110.2°	109.5°
C6	C5	H5	108.4°	109.5°
C5	C6	H61	109.2°	109.5°
C5	C6	H62	109.1°	109.5°
O5	C5	H5	109.8°	109.5°
O6	C6	H61	109.3°	109.4°
O6	C6	H62	109.1°	109.5°
C6	O6	HO6	109.5°	113.9°
C9	C10	N10	90.0°	109.5°
C10	C9	H9	160.3°	109.5°
C10	C9	H9A	161.0°	109.5°
C9	C10	H10	90.0°	109.5°
C9	C10	H10A	90.0°	109.4°
N10	C10	H10	90.0°	109.5°
N10	C10	H10A	90.0°	109.5°
C10	N10	HN10	90.0°	111.0°
C10	N10	HN1A	90.0°	111.0°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.5°	109.4°
H82	C8	H83	109.4°	109.5°
H61	C6	H62	110.0°	109.4°
H9	C9	H9A	33.2°	109.5°
H10	C10	H10A	90.0°	109.4°
HN10	N10	HN1A	90.0°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	117.9°	119.9°
O1	C1	C2	H1	121.7°	120.1°
O1	C1	O5	H1	121.7°	120.0°
O1	C1	C2	N2	64.5°	62.5°
O1	C1	C2	C3	170.1°	177.6°
O1	C1	O5	C5	175.1°	178.9°
C1	O1	C9	C10	34.8°	180.0°
O1	C1	C2	H2	54.0°	57.6°
C1	O1	C9	H9	85.3°	60.0°
C1	O1	C9	H9A	156.2°	60.0°
C2	C1	O5	H1	120.6°	120.0°
C2	C1	O1	C9	139.7°	175.0°
C1	C2	N2	C3	127.2°	119.7°
C1	C2	N2	H2	116.4°	120.2°
C1	C2	C3	H2	116.0°	120.0°
C1	C2	N2	C7	108.2°	85.0°
C1	C2	C3	O3	167.7°	176.9°
C1	C2	C3	C4	50.8°	57.0°
C2	C1	O5	C5	57.5°	61.2°
C1	C2	N2	HN2	71.8°	94.9°
C1	C2	C3	H3	70.6°	62.9°
O5	C1	O1	C9	101.3°	65.1°
O5	C1	C2	N2	177.6°	177.5°
O5	C1	C2	C3	52.2°	57.6°
C1	O5	C5	C4	61.9°	61.2°
C1	O5	C5	C6	174.8°	178.8°
O5	C1	C2	H2	63.8°	62.3°
C1	O5	C5	H5	56.1°	58.8°
O1	C9	C10	H9	119.9°	120.0°
O1	C9	C10	H9A	121.4°	120.0°
O1	C9	C10	N10	90.0°	65.0°
C9	O1	C1	H1	19.1°	54.9°
O1	C9	H9	H9A	148.5°	120.0°
O1	C9	C10	H10	90.0°	175.0°
O1	C9	C10	H10A	90.0°	55.0°
N2	C2	C3	H2	118.6°	120.1°
C2	N2	C7	HN2	180.0°	179.9°
C2	N2	C7	O7	3.5°	0.0°
C2	N2	C7	C8	176.5°	180.0°
N2	C2	C3	O3	66.9°	63.2°
N2	C2	C3	C4	176.2°	176.9°
N2	C2	C1	H1	57.2°	57.6°
N2	C2	C3	H3	54.8°	57.0°
C3	C2	N2	C7	124.7°	155.3°
C2	C3	O3	C4	117.3°	119.6°
C2	C3	O3	H3	121.4°	120.2°
C2	C3	C4	H3	121.4°	119.9°
C2	C3	C4	O4	174.0°	176.9°
C2	C3	C4	C5	52.7°	56.9°
C3	C2	C1	H1	68.2°	62.3°
C3	C2	N2	HN2	55.3°	24.8°
C2	C3	O3	HO3	155.9°	180.0°
C2	C3	C4	H4	65.8°	63.0°
N2	C7	O7	C8	180.0°	180.0°
C7	N2	C2	H2	8.2°	35.2°
N2	C7	C8	H81	44.1°	0.0°
N2	C7	C8	H82	76.0°	120.0°
N2	C7	C8	H83	164.1°	120.0°
O7	C7	N2	HN2	176.5°	179.9°
O7	C7	C8	H81	135.9°	180.0°
O7	C7	C8	H82	104.1°	60.0°
O7	C7	C8	H83	15.9°	60.0°
C8	C7	N2	HN2	3.5°	0.1°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
O3	C3	C4	H3	121.7°	120.2°
O3	C3	C4	O4	69.2°	63.2°
O3	C3	C4	C5	169.5°	176.9°
O3	C3	C2	H2	51.7°	56.9°
O3	C3	C4	H4	51.0°	56.9°
C3	C4	O4	C5	120.4°	119.7°
C3	C4	O4	H4	121.0°	120.1°
C3	C4	C5	H4	121.0°	120.0°
C3	C4	C5	C6	179.4°	177.6°
C3	C4	C5	O5	58.7°	57.6°
C4	C3	C2	H2	65.2°	63.0°
C4	C3	O3	HO3	86.8°	60.4°
C3	C4	O4	HO4	165.3°	180.0°
C3	C4	C5	H5	60.9°	62.4°
O4	C4	C5	H4	120.2°	120.1°
O4	C4	C5	C6	60.7°	62.5°
O4	C4	C5	O5	177.5°	177.5°
O4	C4	C3	H3	52.5°	57.0°
O4	C4	C5	H5	57.9°	57.5°
C4	C5	C6	O5	122.5°	120.0°
C4	C5	C6	H5	117.9°	120.0°
C4	C5	O5	H5	117.9°	120.0°
C4	C5	C6	O6	47.4°	175.0°
C5	C4	C3	H3	68.7°	63.0°
C5	C4	O4	HO4	74.3°	60.3°
C4	C5	C6	H61	167.4°	55.0°
C4	C5	C6	H62	72.3°	65.0°
C6	C5	O5	H5	118.7°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	119.7°	120.0°
C6	C5	C4	H4	59.5°	57.6°
C5	C6	H61	H62	119.7°	120.0°
C5	C6	O6	HO6	82.3°	180.0°
O5	C5	C6	O6	75.1°	65.1°
C5	O5	C1	H1	63.2°	58.8°
O5	C5	C4	H4	62.3°	62.4°
O5	C5	C6	H61	44.9°	175.0°
O5	C5	C6	H62	165.2°	55.0°
O6	C6	C5	H5	165.3°	55.0°
O6	C6	H61	H62	119.7°	120.0°
C9	C10	N10	H10	90.0°	120.0°
C9	C10	N10	H10A	90.0°	120.0°
C10	C9	H9	H9A	148.5°	120.1°
C9	C10	H10	H10A	90.0°	119.9°
C9	C10	N10	HN10	90.0°	56.1°
C9	C10	N10	HN1A	90.0°	180.0°
N10	C10	C9	H9	90.0°	55.0°
N10	C10	C9	H9A	90.0°	175.0°
N10	C10	H10	H10A	90.0°	120.0°
C10	N10	HN10	HN1A	90.0°	124.0°
H1	C1	C2	H2	175.8°	177.7°
H2	C2	N2	HN2	171.8°	144.9°
H2	C2	C3	H3	173.4°	177.1°
H81	C8	H82	H83	120.0°	120.0°
H3	C3	O3	HO3	34.5°	59.8°
H3	C3	C4	H4	172.7°	177.1°
H4	C4	O4	HO4	44.2°	59.8°
H4	C4	C5	H5	178.1°	177.7°
H5	C5	C6	H61	74.7°	65.0°
H5	C5	C6	H62	45.6°	175.0°
H61	C6	O6	HO6	157.7°	60.0°
H62	C6	O6	HO6	37.4°	60.0°
H9	C9	C10	H10	90.0°	65.1°
H9	C9	C10	H10A	90.0°	175.0°
H9A	C9	C10	H10	90.0°	55.0°
H9A	C9	C10	H10A	90.0°	64.9°
H10	C10	N10	HN10	90.0°	64.0°
H10	C10	N10	HN1A	90.0°	60.0°
H10A	C10	N10	HN10	90.0°	176.0°
H10A	C10	N10	HN1A	90.0°	60.0°

Definition date:	2008-01-23
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3BZ4