AEZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	sing	1.43Å	1.44Å
O3	C3	sing	1.43Å	1.42Å
C4	C3	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.51Å
C3	C2	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.49Å
C6	O6	sing	1.43Å	1.43Å
C5	C7	sing	1.51Å	1.47Å
C2	O2	sing	1.43Å	1.44Å
C2	C1	sing	1.51Å	1.46Å
C7	C1	doub	1.35Å	1.48Å	Aromatic
C7	N9	sing	1.36Å	1.35Å	Aromatic
C1	N8	sing	1.34Å	1.33Å	Aromatic
N9	C10	sing	1.35Å	1.37Å	Aromatic
N8	C10	doub	1.31Å	1.35Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
O2	H8	sing	0.97Å	0.95Å
O4	H9	sing	0.97Å	0.95Å
O3	H10	sing	0.97Å	0.95Å
O6	H11	sing	0.97Å	0.95Å
N9	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C3	110.1°	109.5°
O4	C4	C5	110.5°	109.5°
O4	C4	H1	110.4°	109.5°
C4	O4	H9	109.5°	114.0°
O3	C3	C4	112.6°	109.4°
O3	C3	C2	107.8°	109.5°
O3	C3	H6	107.6°	109.4°
C3	O3	H10	109.5°	114.0°
C3	C4	C5	107.6°	109.4°
C4	C3	C2	115.8°	109.6°
C3	C4	H1	108.9°	109.5°
C4	C3	H6	106.2°	109.5°
C4	C5	C6	115.4°	109.6°
C4	C5	C7	105.8°	108.4°
C5	C4	H1	109.3°	109.5°
C4	C5	H2	108.2°	109.7°
C3	C2	O2	113.1°	109.7°
C3	C2	C1	106.4°	108.4°
C2	C3	H6	106.3°	109.5°
C3	C2	H7	107.9°	109.7°
C5	C6	O6	112.3°	109.5°
C6	C5	C7	109.9°	109.7°
C6	C5	H2	108.6°	109.7°
C5	C6	H3	108.8°	109.5°
C5	C6	H4	108.8°	109.5°
O6	C6	H3	108.8°	109.5°
O6	C6	H4	108.8°	109.4°
C6	O6	H11	109.5°	114.0°
C5	C7	C1	123.4°	124.5°
C5	C7	N9	130.8°	128.4°
C7	C5	H2	108.8°	109.7°
O2	C2	C1	111.3°	109.7°
O2	C2	H7	109.1°	109.7°
C2	O2	H8	109.5°	114.0°
C2	C1	C7	124.8°	124.0°
C2	C1	N8	129.5°	128.1°
C1	C2	H7	108.8°	109.7°
C1	C7	N9	105.7°	107.1°
C7	C1	N8	105.6°	108.0°
C7	N9	C10	109.2°	107.0°
C7	N9	H12	125.4°	126.5°
C1	N8	C10	110.9°	109.2°
N9	C10	N8	108.4°	108.8°
N9	C10	H5	125.8°	125.6°
C10	N9	H12	125.4°	126.6°
N8	C10	H5	125.8°	125.6°
H3	C6	H4	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C3	O3	44.3°	50.0°
O4	C4	C3	C5	120.4°	120.0°
O4	C4	C3	H1	121.1°	120.1°
O4	C4	C5	H1	121.6°	120.1°
O4	C4	C3	C2	169.0°	170.0°
O4	C4	C5	C6	60.9°	70.6°
O4	C4	C5	C7	177.3°	169.6°
O4	C4	C5	H2	60.9°	49.8°
O4	C4	C3	H6	73.3°	69.9°
O3	C3	C4	C2	124.7°	120.0°
O3	C3	C4	H6	117.6°	119.9°
O3	C3	C4	C5	164.7°	170.0°
O3	C3	C2	H6	115.2°	119.9°
O3	C3	C2	O2	70.8°	70.3°
O3	C3	C2	C1	166.6°	170.0°
O3	C3	C4	H1	76.8°	70.1°
O3	C3	C2	H7	49.9°	50.3°
C3	C4	C5	H1	118.2°	120.0°
C4	C3	C2	H6	117.7°	120.1°
C3	C4	C5	C6	178.9°	169.4°
C3	C4	C5	C7	57.2°	49.7°
C4	C3	C2	O2	162.0°	169.7°
C4	C3	C2	C1	39.5°	50.0°
C3	C4	C5	H2	59.3°	70.1°
C4	C3	C2	H7	77.2°	69.7°
C3	C4	O4	H9	180.0°	60.0°
C4	C3	O3	H10	180.0°	179.9°
C5	C4	C3	C2	70.6°	70.0°
C4	C5	C6	C7	119.5°	118.9°
C4	C5	C6	H2	121.6°	120.5°
C4	C5	C6	O6	60.9°	175.0°
C4	C5	C7	H2	116.1°	119.8°
C4	C5	C7	C1	26.8°	16.4°
C4	C5	C7	N9	150.8°	163.6°
C4	C5	C6	H3	178.6°	55.0°
C4	C5	C6	H4	59.5°	65.0°
C5	C4	C3	H6	47.1°	50.1°
C5	C4	O4	H9	61.3°	179.9°
C3	C2	O2	C1	119.8°	119.0°
C3	C2	O2	H7	120.1°	120.5°
C3	C2	C1	H7	116.0°	119.7°
C3	C2	C1	C7	4.8°	16.6°
C3	C2	C1	N8	175.2°	163.2°
C2	C3	C4	H1	47.8°	49.9°
C3	C2	O2	H8	180.0°	180.0°
C2	C3	O3	H10	51.1°	59.8°
C5	C6	O6	H3	120.5°	120.1°
C5	C6	O6	H4	120.4°	120.0°
C6	C5	C7	H2	118.7°	120.6°
C6	C5	C7	C1	152.0°	136.1°
C6	C5	C7	N9	25.6°	43.9°
C6	C5	C4	H1	60.7°	49.5°
C5	C6	H3	H4	118.7°	120.0°
C5	C6	O6	H11	180.0°	180.0°
O6	C6	C5	C7	58.6°	66.0°
O6	C6	C5	H2	177.4°	54.5°
O6	C6	H3	H4	118.7°	119.9°
C5	C7	C1	C2	0.5°	0.2°
C5	C7	C1	N9	178.1°	180.0°
C5	C7	C1	N8	179.5°	179.9°
C5	C7	N9	C10	179.9°	179.9°
C7	C5	C4	H1	61.0°	70.3°
C7	C5	C6	H3	61.9°	173.9°
C7	C5	C6	H4	179.0°	53.9°
C5	C7	N9	H12	0.1°	0.0°
O2	C2	C1	H7	120.3°	120.5°
O2	C2	C1	C7	128.5°	136.4°
O2	C2	C1	N8	51.5°	43.5°
O2	C2	C3	H6	44.3°	49.6°
C2	C1	C7	N8	180.0°	179.9°
C2	C1	C7	N9	178.6°	179.8°
C2	C1	N8	C10	179.7°	179.8°
C1	C2	C3	H6	78.2°	70.1°
C1	C2	O2	H8	60.2°	61.0°
C1	C7	N9	C10	1.9°	0.1°
C7	C1	N8	C10	0.3°	0.1°
C1	C7	C5	H2	89.3°	103.3°
C7	C1	C2	H7	111.3°	103.1°
C1	C7	N9	H12	178.0°	179.9°
N9	C7	C1	N8	1.4°	0.1°
C7	N9	C10	H12	180.0°	180.0°
C7	N9	C10	N8	1.8°	0.0°
N9	C7	C5	H2	93.1°	76.7°
C7	N9	C10	H5	178.2°	180.0°
C1	N8	C10	N9	0.9°	0.0°
C1	N8	C10	H5	179.1°	180.0°
N8	C1	C2	H7	68.8°	77.0°
N9	C10	N8	H5	180.0°	180.0°
N8	C10	N9	H12	178.2°	180.0°
H1	C4	C5	H2	177.5°	169.9°
H1	C4	C3	H6	165.6°	170.0°
H1	C4	O4	H9	59.7°	60.0°
H2	C5	C6	H3	57.0°	65.5°
H2	C5	C6	H4	62.1°	174.5°
H3	C6	O6	H11	59.6°	59.9°
H4	C6	O6	H11	59.5°	60.0°
H5	C10	N9	H12	1.8°	0.0°
H6	C3	C2	H7	165.1°	170.2°
H6	C3	O3	H10	63.2°	60.1°
H7	C2	O2	H8	59.9°	59.5°

Release date:	2018-04-11
Definition date:	2017-08-18
Last modified:	2018-04-06
Release status:	REL
Processing site:	EBI
Derived from:	5OSS