LAZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C7	doub	1.22Å	1.23Å
C7	N8	sing	1.35Å	1.45Å
C7	C6	sing	1.48Å	1.51Å
N8	C9	sing	1.47Å	1.45Å
N8	H8	sing	0.97Å	1.00Å
C9	C10	sing	1.53Å	1.52Å
C9	H9C1	sing	1.09Å	1.10Å
C9	H9C2	sing	1.09Å	1.10Å
C10	O10	sing	1.43Å	1.42Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
O10	H10	sing	0.97Å	0.99Å
C6	C5	doub	1.40Å	1.39Å	Aromatic
C6	C1	sing	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.06Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.06Å
C3	CL3	sing	1.74Å	1.79Å
C3	C2	sing	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.06Å
C1	H1	sing	1.08Å	1.06Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C7	N8	119.7°	120.1°
O7	C7	C6	120.8°	120.0°
N8	C7	C6	119.5°	119.9°
C7	N8	C9	121.1°	119.9°
C7	N8	H8	119.4°	120.0°
C7	C6	C5	120.3°	120.1°
C7	C6	C1	120.6°	120.1°
C9	N8	H8	119.5°	120.0°
N8	C9	C10	109.3°	109.5°
N8	C9	H9C1	109.5°	109.5°
N8	C9	H9C2	109.6°	109.5°
C10	C9	H9C1	109.5°	109.4°
C10	C9	H9C2	109.5°	109.4°
C9	C10	O10	107.3°	109.4°
C9	C10	H101	110.0°	109.5°
C9	C10	H102	110.8°	109.5°
H9C1	C9	H9C2	109.4°	109.5°
O10	C10	H101	110.0°	109.4°
O10	C10	H102	110.7°	109.5°
C10	O10	H10	109.5°	106.8°
H101	C10	H102	108.1°	109.5°
C5	C6	C1	119.0°	119.7°
C6	C5	C4	120.5°	119.9°
C6	C5	H5	119.8°	120.0°
C6	C1	C2	120.5°	119.8°
C6	C1	H1	119.7°	120.1°
C4	C5	H5	119.7°	120.1°
C5	C4	C3	120.5°	120.1°
C5	C4	H4	119.8°	120.0°
C3	C4	H4	119.7°	119.9°
C4	C3	CL3	119.8°	119.9°
C4	C3	C2	119.2°	120.2°
CL3	C3	C2	121.0°	119.9°
C3	C2	C1	120.3°	120.2°
C3	C2	H2	119.9°	119.9°
C1	C2	H2	119.9°	119.9°
C2	C1	H1	119.8°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C7	N8	C6	178.5°	180.0°
O7	C7	N8	C9	22.3°	0.0°
O7	C7	N8	H8	157.7°	179.9°
O7	C7	C6	C5	13.1°	0.0°
O7	C7	C6	C1	167.5°	179.8°
C7	N8	C9	H8	180.0°	179.9°
C7	N8	C9	C10	172.0°	179.9°
C7	N8	C9	H9C1	68.1°	60.0°
C7	N8	C9	H9C2	51.9°	60.1°
N8	C7	C6	C5	165.4°	180.0°
N8	C7	C6	C1	13.9°	0.2°
C6	C7	N8	C9	156.2°	180.0°
C6	C7	N8	H8	23.8°	0.1°
C7	C6	C5	C1	179.4°	179.7°
C7	C6	C5	C4	179.1°	180.0°
C7	C6	C5	H5	0.9°	0.0°
C7	C6	C1	C2	179.3°	179.8°
C7	C6	C1	H1	0.7°	0.2°
N8	C9	C10	H9C1	120.0°	120.0°
N8	C9	C10	H9C2	120.1°	120.1°
N8	C9	H9C1	H9C2	120.1°	120.1°
N8	C9	C10	O10	47.5°	60.0°
N8	C9	C10	H101	167.1°	60.0°
N8	C9	C10	H102	73.5°	179.9°
H8	N8	C9	C10	8.1°	0.0°
H8	N8	C9	H9C1	111.9°	119.9°
H8	N8	C9	H9C2	128.1°	120.0°
C10	C9	H9C1	H9C2	120.1°	119.9°
C9	C10	O10	H101	119.7°	120.0°
C9	C10	O10	H102	121.0°	120.0°
C9	C10	H101	H102	121.0°	120.0°
C9	C10	O10	H10	77.5°	180.0°
H9C1	C9	C10	O10	72.5°	180.0°
H9C1	C9	C10	H101	47.1°	60.0°
H9C1	C9	C10	H102	166.5°	60.1°
H9C2	C9	C10	O10	167.5°	60.1°
H9C2	C9	C10	H101	72.8°	179.9°
H9C2	C9	C10	H102	46.6°	59.9°
O10	C10	H101	H102	121.0°	120.0°
H101	C10	O10	H10	162.9°	60.0°
H102	C10	O10	H10	43.5°	60.1°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	H4	179.8°	180.0°
C5	C6	C1	C2	0.1°	0.5°
C5	C6	C1	H1	179.9°	180.0°
C1	C6	C5	C4	0.2°	0.2°
C1	C6	C5	H5	179.8°	179.8°
C6	C1	C2	C3	0.1°	0.5°
C6	C1	C2	H1	180.0°	179.6°
C6	C1	C2	H2	179.9°	179.7°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	CL3	179.9°	180.0°
C5	C4	C3	C2	0.0°	0.0°
H5	C5	C4	C3	179.8°	180.0°
H5	C5	C4	H4	0.2°	0.0°
C4	C3	CL3	C2	179.9°	180.0°
C4	C3	C2	C1	0.1°	0.2°
C4	C3	C2	H2	179.9°	179.9°
H4	C4	C3	CL3	0.1°	0.0°
H4	C4	C3	C2	180.0°	180.0°
CL3	C3	C2	C1	179.8°	179.8°
CL3	C3	C2	H2	0.3°	0.0°
C3	C2	C1	H2	180.0°	179.8°
C3	C2	C1	H1	179.9°	180.0°
H2	C2	C1	H1	0.1°	0.1°

Definition date:	2003-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	1OJC