FY8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C7	sing	1.74Å	1.72Å
C1	N1	sing	1.35Å	1.38Å
C1	O1	doub	1.21Å	1.23Å
C1	C5	sing	1.51Å	1.52Å
N1	C2	sing	1.40Å	1.41Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C2	C4	sing	1.39Å	1.40Å	Aromatic
N2	C9	sing	1.47Å	1.49Å
N2	C10	sing	1.47Å	1.49Å
O2	C4	sing	1.36Å	1.38Å
C3	C7	sing	1.38Å	1.40Å	Aromatic
C4	C6	doub	1.38Å	1.40Å	Aromatic
C5	C11	sing	1.53Å	1.53Å
C5	C12	sing	1.53Å	1.53Å
C6	C8	sing	1.38Å	1.40Å	Aromatic
C7	C8	doub	1.38Å	1.40Å	Aromatic
C9	C11	sing	1.53Å	1.52Å
C10	C12	sing	1.53Å	1.52Å
N1	HN1	sing	0.97Å	1.00Å
N2	HN2	sing	1.01Å	1.00Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.08Å	1.08Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C7	C3	120.0°	119.9°
CL	C7	C8	119.2°	119.9°
N1	C1	O1	125.3°	120.0°
N1	C1	C5	115.0°	120.0°
C1	N1	C2	125.6°	120.0°
C1	N1	HN1	117.2°	120.0°
O1	C1	C5	119.7°	120.0°
C1	C5	C11	109.6°	109.5°
C1	C5	C12	109.7°	109.5°
C1	C5	H5	108.9°	109.5°
N1	C2	C3	125.0°	120.1°
N1	C2	C4	115.3°	120.1°
C2	N1	HN1	117.2°	120.1°
C3	C2	C4	119.6°	119.8°
C2	C3	C7	119.5°	120.0°
C2	C3	H3	120.3°	120.0°
C2	C4	O2	117.7°	120.1°
C2	C4	C6	120.9°	119.9°
C9	N2	C10	114.2°	111.2°
N2	C9	C11	109.0°	109.5°
C9	N2	HN2	108.3°	111.0°
N2	C9	H9	109.6°	109.5°
N2	C9	H9A	109.6°	109.5°
N2	C10	C12	107.8°	109.5°
C10	N2	HN2	108.3°	111.0°
N2	C10	H10	109.9°	109.5°
N2	C10	H10A	109.9°	109.4°
O2	C4	C6	121.5°	120.1°
C4	O2	HO2	109.5°	114.0°
C3	C7	C8	120.8°	120.1°
C7	C3	H3	120.3°	120.0°
C4	C6	C8	119.4°	120.0°
C4	C6	H6	120.3°	120.0°
C11	C5	C12	110.9°	109.2°
C5	C11	C9	111.1°	109.3°
C11	C5	H5	108.9°	109.5°
C5	C11	H11	109.1°	109.4°
C5	C11	H11A	109.1°	109.5°
C5	C12	C10	110.4°	109.3°
C12	C5	H5	108.8°	109.6°
C5	C12	H12	109.2°	109.5°
C5	C12	H12A	109.2°	109.5°
C6	C8	C7	119.9°	120.2°
C8	C6	H6	120.3°	120.0°
C6	C8	H8	120.1°	120.0°
C7	C8	H8	120.0°	119.9°
C11	C9	H9	109.6°	109.4°
C11	C9	H9A	109.6°	109.4°
C9	C11	H11	109.1°	109.5°
C9	C11	H11A	109.1°	109.5°
C12	C10	H10	109.9°	109.4°
C12	C10	H10A	109.9°	109.5°
C10	C12	H12	109.3°	109.5°
C10	C12	H12A	109.2°	109.5°
H9	C9	H9A	109.5°	109.5°
H10	C10	H10A	109.5°	109.5°
H11	C11	H11A	109.5°	109.5°
H12	C12	H12A	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C7	C3	C2	180.0°	180.0°
CL	C7	C3	C8	179.6°	179.9°
CL	C7	C8	C6	179.6°	179.8°
CL	C7	C3	H3	0.1°	0.1°
CL	C7	C8	H8	0.3°	0.0°
N1	C1	O1	C5	179.9°	179.8°
C1	N1	C2	HN1	180.0°	180.0°
C1	N1	C2	C3	4.0°	34.7°
C1	N1	C2	C4	173.6°	145.6°
N1	C1	C5	C11	121.8°	180.0°
N1	C1	C5	C12	116.2°	60.3°
N1	C1	C5	H5	2.8°	59.9°
O1	C1	N1	C2	4.3°	4.5°
O1	C1	C5	C11	58.3°	0.2°
O1	C1	C5	C12	63.7°	119.9°
O1	C1	N1	HN1	175.7°	175.5°
O1	C1	C5	H5	177.3°	119.9°
C5	C1	N1	C2	175.6°	175.3°
C1	C5	C11	C12	121.3°	119.9°
C1	C5	C11	H5	119.1°	120.1°
C1	C5	C12	H5	119.1°	120.2°
C1	C5	C11	C9	176.2°	177.6°
C1	C5	C12	C10	178.2°	177.6°
C5	C1	N1	HN1	4.4°	4.7°
C1	C5	C11	H11	56.0°	57.6°
C1	C5	C11	H11A	63.5°	62.5°
C1	C5	C12	H12	61.6°	62.6°
C1	C5	C12	H12A	58.1°	57.6°
N1	C2	C3	C4	177.5°	179.7°
N1	C2	C4	O2	1.8°	0.1°
N1	C2	C3	C7	178.0°	179.9°
N1	C2	C4	C6	178.0°	180.0°
N1	C2	C3	H3	1.9°	0.0°
C3	C2	C4	O2	179.6°	179.8°
C2	C3	C7	H3	180.0°	179.9°
C3	C2	C4	C6	0.3°	0.2°
C2	C3	C7	C8	0.5°	0.1°
C3	C2	N1	HN1	176.0°	145.4°
C2	C4	O2	C6	179.8°	180.0°
C4	C2	C3	C7	0.6°	0.2°
C2	C4	C6	C8	0.1°	0.0°
C4	C2	N1	HN1	6.4°	34.4°
C2	C4	O2	HO2	180.0°	90.0°
C4	C2	C3	H3	179.4°	179.7°
C2	C4	C6	H6	179.8°	180.0°
C9	N2	C10	HN2	120.7°	124.2°
N2	C9	C11	C5	54.2°	59.1°
N2	C9	C11	H9	119.9°	120.0°
N2	C9	C11	H9A	119.9°	120.0°
C9	N2	C10	C12	60.5°	61.8°
N2	C9	H9	H9A	120.2°	120.0°
C9	N2	C10	H10	179.8°	178.2°
C9	N2	C10	H10A	59.2°	58.2°
N2	C9	C11	H11	66.1°	60.7°
N2	C9	C11	H11A	174.4°	179.1°
N2	C10	C12	C5	57.8°	59.2°
C10	N2	C9	C11	58.8°	61.8°
N2	C10	C12	H10	119.7°	120.0°
N2	C10	C12	H10A	119.7°	120.0°
C10	N2	C9	H9	61.1°	58.2°
C10	N2	C9	H9A	178.7°	178.2°
N2	C10	H10	H10A	120.8°	120.0°
N2	C10	C12	H12	177.9°	179.1°
N2	C10	C12	H12A	62.4°	60.8°
O2	C4	C6	C8	179.9°	180.0°
O2	C4	C6	H6	0.0°	0.1°
C3	C7	C8	C6	0.1°	0.3°
C3	C7	C8	H8	179.9°	179.9°
C4	C6	C8	H6	180.0°	179.9°
C4	C6	C8	C7	0.2°	0.2°
C6	C4	O2	HO2	0.2°	90.0°
C4	C6	C8	H8	179.8°	180.0°
C11	C5	C12	H5	119.7°	119.9°
C5	C11	C9	H11	120.2°	119.9°
C5	C11	C9	H11A	120.3°	120.0°
C11	C5	C12	C10	57.0°	57.7°
C5	C11	C9	H9	65.8°	60.9°
C5	C11	C9	H9A	174.1°	179.2°
C5	C11	H11	H11A	119.2°	120.1°
C11	C5	C12	H12	177.1°	177.5°
C11	C5	C12	H12A	63.2°	62.3°
C12	C5	C11	C9	54.9°	57.6°
C5	C12	C10	H12	120.2°	119.9°
C5	C12	C10	H12A	120.2°	120.0°
C5	C12	C10	H10	177.5°	179.2°
C5	C12	C10	H10A	62.0°	60.8°
C12	C5	C11	H11	65.3°	62.3°
C12	C5	C11	H11A	175.2°	177.6°
C5	C12	H12	H12A	119.6°	120.1°
C6	C8	C7	H8	180.0°	179.8°
C8	C7	C3	H3	179.5°	180.0°
C7	C8	C6	H6	179.7°	179.7°
C11	C9	N2	HN2	61.9°	62.4°
C9	C11	C5	H5	64.7°	62.4°
C11	C9	H9	H9A	120.2°	119.9°
C9	C11	H11	H11A	119.3°	120.1°
C12	C10	N2	HN2	60.2°	62.4°
C10	C12	C5	H5	62.7°	62.3°
C12	C10	H10	H10A	120.8°	120.0°
C10	C12	H12	H12A	119.5°	120.1°
HN2	N2	C9	H9	178.1°	177.6°
HN2	N2	C9	H9A	58.0°	57.6°
HN2	N2	C10	H10	59.5°	57.6°
HN2	N2	C10	H10A	179.9°	177.6°
H5	C5	C11	H11	175.0°	177.7°
H5	C5	C11	H11A	55.5°	57.6°
H5	C5	C12	H12	57.4°	57.6°
H5	C5	C12	H12A	177.1°	177.8°
H6	C6	C8	H8	0.2°	0.1°
H9	C9	C11	H11	174.0°	179.2°
H9	C9	C11	H11A	54.5°	59.1°
H9A	C9	C11	H11	53.8°	59.3°
H9A	C9	C11	H11A	65.6°	60.9°
H10	C10	C12	H12	62.3°	60.9°
H10	C10	C12	H12A	57.4°	59.3°
H10A	C10	C12	H12	58.2°	59.1°
H10A	C10	C12	H12A	177.9°	179.3°

Release date:	2015-12-16
Definition date:	2015-09-11
Last modified:	2015-12-11
Release status:	REL
Processing site:	EBI
Derived from:	5AOM