F1K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C23	doub	1.38Å	1.40Å	Aromatic
C24	C19	sing	1.38Å	1.40Å	Aromatic
C23	C22	sing	1.38Å	1.39Å	Aromatic
C22	F25	sing	1.35Å	1.34Å
C22	C21	doub	1.38Å	1.40Å	Aromatic
C20	C21	sing	1.38Å	1.40Å	Aromatic
C20	C19	doub	1.38Å	1.40Å	Aromatic
C12	C11	sing	1.53Å	1.53Å
C12	S13	sing	1.81Å	1.81Å
C11	C10	sing	1.53Å	1.53Å
C10	N8	sing	1.47Å	1.45Å
C7	C5	sing	1.51Å	1.51Å
C7	O9	doub	1.21Å	1.22Å
C7	N8	sing	1.35Å	1.33Å
C4	C5	sing	1.53Å	1.52Å
C4	N3	sing	1.47Å	1.46Å
C5	N6	sing	1.47Å	1.45Å
C2	C1	sing	1.53Å	1.53Å
C2	N3	sing	1.47Å	1.46Å
C1	N6	sing	1.47Å	1.46Å
C19	C18	sing	1.51Å	1.52Å
C18	N3	sing	1.47Å	1.46Å
C24	H24	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C21	H21	sing	1.08Å	1.08Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
N6	HN6	sing	1.01Å	1.00Å
N8	HN8	sing	0.97Å	1.00Å
S13	HS13	sing	1.34Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C23	C24	C19	120.4°	120.0°
C24	C23	C22	119.6°	120.0°
C23	C24	H24	119.8°	120.0°
C24	C23	H23	120.2°	120.0°
C24	C19	C20	119.8°	120.1°
C24	C19	C18	120.0°	119.9°
C19	C24	H24	119.8°	120.0°
C23	C22	F25	119.8°	120.0°
C23	C22	C21	120.3°	120.0°
C22	C23	H23	120.2°	120.0°
F25	C22	C21	119.9°	120.0°
C22	C21	C20	120.1°	120.0°
C22	C21	H21	120.0°	120.0°
C21	C20	C19	119.9°	120.0°
C21	C20	H20	120.0°	120.0°
C20	C21	H21	119.9°	120.0°
C20	C19	C18	120.2°	120.0°
C19	C20	H20	120.1°	120.0°
C11	C12	S13	110.3°	109.5°
C12	C11	C10	111.8°	109.5°
C11	C12	H12	109.2°	109.5°
C11	C12	H12A	109.0°	109.5°
C12	C11	H11	108.7°	109.4°
C12	C11	H11A	108.2°	109.5°
S13	C12	H12	109.2°	109.5°
S13	C12	H12A	109.0°	109.4°
C12	S13	HS13	109.5°	103.0°
C11	C10	N8	112.2°	109.4°
C10	C11	H11	108.7°	109.5°
C10	C11	H11A	108.2°	109.5°
C11	C10	H10	108.6°	109.4°
C11	C10	H10A	107.9°	109.5°
C10	N8	C7	122.1°	120.0°
N8	C10	H10	108.6°	109.5°
N8	C10	H10A	107.9°	109.5°
C10	N8	HN8	118.9°	120.0°
C5	C7	O9	119.7°	120.0°
C5	C7	N8	118.3°	120.0°
C7	C5	C4	110.3°	109.5°
C7	C5	N6	115.6°	109.5°
C7	C5	H5	103.8°	109.5°
O9	C7	N8	122.0°	120.0°
C7	N8	HN8	118.9°	120.0°
C5	C4	N3	104.1°	109.4°
C4	C5	N6	107.3°	109.3°
C5	C4	H4	111.3°	109.5°
C5	C4	H4A	112.4°	109.5°
C4	C5	H5	112.7°	109.5°
C4	N3	C2	111.3°	110.8°
C4	N3	C18	110.3°	111.0°
N3	C4	H4	111.3°	109.6°
N3	C4	H4A	112.5°	109.5°
C5	N6	C1	110.0°	110.9°
N6	C5	H5	107.1°	109.6°
C5	N6	HN6	109.3°	111.0°
C1	C2	N3	107.5°	109.4°
C2	C1	N6	114.0°	109.4°
C1	C2	H2	110.1°	109.5°
C1	C2	H2A	110.6°	109.5°
C2	C1	H1	108.0°	109.4°
C2	C1	H1A	106.9°	109.5°
C2	N3	C18	110.7°	111.0°
N3	C2	H2	110.1°	109.5°
N3	C2	H2A	110.5°	109.5°
N6	C1	H1	108.0°	109.5°
N6	C1	H1A	106.9°	109.5°
C1	N6	HN6	109.3°	111.0°
C19	C18	N3	109.9°	109.4°
C19	C18	H18	109.3°	109.5°
C19	C18	H18A	109.2°	109.4°
N3	C18	H18	109.3°	109.5°
N3	C18	H18A	109.2°	109.5°
H12	C12	H12A	110.2°	109.5°
H11	C11	H11A	111.3°	109.5°
H10	C10	H10A	111.7°	109.5°
H4	C4	H4A	105.4°	109.5°
H2	C2	H2A	108.0°	109.5°
H1	C1	H1A	113.1°	109.5°
H18	C18	H18A	109.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C23	C24	C19	H24	180.0°	179.7°
C24	C23	C22	H23	180.0°	179.9°
C24	C23	C22	F25	179.6°	180.0°
C24	C23	C22	C21	0.1°	0.1°
C23	C24	C19	C20	0.2°	0.0°
C23	C24	C19	C18	179.8°	179.9°
C19	C24	C23	C22	0.0°	0.1°
C24	C19	C20	C21	0.4°	0.1°
C24	C19	C20	C18	179.5°	179.9°
C24	C19	C18	N3	110.6°	90.0°
C19	C24	C23	H23	180.0°	179.9°
C24	C19	C20	H20	179.6°	180.0°
C24	C19	C18	H18	9.4°	150.0°
C24	C19	C18	H18A	129.6°	30.0°
C23	C22	F25	C21	179.6°	179.9°
C23	C22	C21	C20	0.1°	0.0°
C22	C23	C24	H24	180.0°	179.8°
C23	C22	C21	H21	179.9°	180.0°
F25	C22	C21	C20	179.4°	179.9°
F25	C22	C23	H23	0.4°	0.1°
F25	C22	C21	H21	0.5°	0.0°
C22	C21	C20	H21	180.0°	180.0°
C22	C21	C20	C19	0.4°	0.1°
C21	C22	C23	H23	180.0°	180.0°
C22	C21	C20	H20	179.6°	179.9°
C21	C20	C19	H20	180.0°	179.9°
C21	C20	C19	C18	180.0°	180.0°
C20	C19	C18	N3	68.9°	90.1°
C20	C19	C24	H24	179.7°	179.7°
C19	C20	C21	H21	179.7°	180.0°
C20	C19	C18	H18	171.1°	29.9°
C20	C19	C18	H18A	50.9°	149.9°
C11	C12	S13	H12	120.0°	120.0°
C11	C12	S13	H12A	119.6°	120.0°
C12	C11	C10	H11	120.0°	120.0°
C12	C11	C10	H11A	119.0°	120.0°
C12	C11	C10	N8	158.2°	180.0°
C11	C12	H12	H12A	119.7°	120.0°
C12	C11	H11	H11A	119.0°	120.0°
C12	C11	C10	H10	81.8°	60.0°
C12	C11	C10	H10A	39.4°	60.0°
C11	C12	S13	HS13	14.4°	180.0°
S13	C12	C11	C10	84.0°	180.0°
S13	C12	H12	H12A	119.6°	120.0°
S13	C12	C11	H11	36.0°	60.0°
S13	C12	C11	H11A	157.0°	60.0°
C11	C10	N8	H10	120.0°	119.9°
C11	C10	N8	H10A	118.8°	120.0°
C11	C10	N8	C7	77.0°	180.0°
C10	C11	C12	H12	36.0°	60.0°
C10	C11	C12	H12A	156.4°	60.0°
C10	C11	H11	H11A	119.1°	120.0°
C11	C10	H10	H10A	118.9°	120.0°
C11	C10	N8	HN8	103.0°	0.0°
C10	N8	C7	C5	148.1°	180.0°
C10	N8	C7	O9	31.4°	0.0°
C10	N8	C7	HN8	180.0°	180.0°
N8	C10	C11	H11	38.2°	60.0°
N8	C10	C11	H11A	82.8°	60.0°
N8	C10	H10	H10A	118.9°	120.1°
C5	C7	O9	N8	179.5°	180.0°
C7	C5	C4	N6	126.8°	119.9°
C7	C5	C4	H5	115.6°	120.0°
C7	C5	C4	N3	164.0°	178.4°
C7	C5	N6	H5	115.2°	120.1°
C7	C5	N6	C1	174.2°	179.3°
C7	C5	C4	H4	76.0°	58.3°
C7	C5	C4	H4A	42.0°	61.7°
C7	C5	N6	HN6	54.2°	56.9°
C5	C7	N8	HN8	31.9°	0.0°
O9	C7	C5	C4	55.5°	100.0°
O9	C7	C5	N6	177.5°	19.9°
O9	C7	C5	H5	65.5°	140.0°
O9	C7	N8	HN8	148.6°	180.0°
N8	C7	C5	C4	125.0°	80.0°
N8	C7	C5	N6	3.0°	160.1°
C7	N8	C10	H10	163.0°	60.1°
C7	N8	C10	H10A	41.8°	60.0°
N8	C7	C5	H5	113.9°	40.0°
C5	C4	N3	H4	120.0°	120.0°
C5	C4	N3	H4A	122.0°	119.9°
C4	C5	N6	H5	121.2°	120.0°
C5	C4	N3	C2	69.1°	59.3°
C4	C5	N6	C1	62.2°	59.4°
C5	C4	N3	C18	167.5°	176.8°
C5	C4	H4	H4A	122.2°	120.0°
C4	C5	N6	HN6	177.8°	176.8°
N3	C4	C5	N6	69.2°	58.4°
C4	N3	C2	C1	58.3°	59.3°
C4	N3	C2	C18	123.1°	123.8°
C4	N3	C18	C19	67.5°	170.0°
N3	C4	H4	H4A	122.2°	120.0°
N3	C4	C5	H5	48.4°	61.6°
C4	N3	C2	H2	178.3°	179.3°
C4	N3	C2	H2A	62.5°	60.7°
C4	N3	C18	H18	52.5°	50.1°
C4	N3	C18	H18A	172.7°	70.0°
C5	N6	C1	C2	53.0°	59.4°
C5	N6	C1	HN6	120.0°	123.8°
N6	C5	C4	H4	50.8°	61.6°
N6	C5	C4	H4A	168.8°	178.4°
C5	N6	C1	H1	173.0°	179.3°
C5	N6	C1	H1A	65.0°	60.6°
C1	C2	N3	H2	120.0°	120.0°
C1	C2	N3	H2A	120.8°	120.0°
C2	C1	N6	H1	120.0°	119.9°
C2	C1	N6	H1A	118.0°	120.0°
C1	C2	N3	C18	178.6°	176.8°
C1	C2	H2	H2A	120.8°	120.1°
C2	C1	H1	H1A	118.1°	120.0°
C2	C1	N6	HN6	173.0°	176.8°
N3	C2	C1	N6	49.1°	58.4°
C2	N3	C18	C19	168.8°	66.2°
C2	N3	C4	H4	50.9°	60.7°
C2	N3	C4	H4A	169.0°	179.2°
N3	C2	H2	H2A	120.8°	120.0°
N3	C2	C1	H1	169.1°	178.4°
N3	C2	C1	H1A	68.9°	61.6°
C2	N3	C18	H18	71.2°	173.8°
C2	N3	C18	H18A	49.0°	53.7°
C1	N6	C5	H5	59.1°	60.6°
N6	C1	C2	H2	169.1°	178.4°
N6	C1	C2	H2A	71.7°	61.6°
N6	C1	H1	H1A	118.1°	120.1°
C19	C18	N3	H18	120.0°	120.0°
C19	C18	N3	H18A	119.8°	120.0°
C18	C19	C24	H24	0.2°	0.2°
C18	C19	C20	H20	0.0°	0.1°
C19	C18	H18	H18A	119.8°	120.0°
C18	N3	C4	H4	72.4°	63.2°
C18	N3	C4	H4A	45.6°	56.9°
C18	N3	C2	H2	58.6°	56.9°
C18	N3	C2	H2A	60.7°	63.1°
N3	C18	H18	H18A	119.8°	120.1°
H24	C24	C23	H23	0.0°	0.4°
H20	C20	C21	H21	0.4°	0.1°
H12	C12	C11	H11	156.0°	60.0°
H12	C12	C11	H11A	83.1°	180.0°
H12	C12	S13	HS13	105.6°	60.0°
H12A	C12	C11	H11	83.6°	180.0°
H12A	C12	C11	H11A	37.3°	60.0°
H12A	C12	S13	HS13	134.0°	60.0°
H11	C11	C10	H10	158.2°	180.0°
H11	C11	C10	H10A	80.6°	60.0°
H11A	C11	C10	H10	37.2°	60.0°
H11A	C11	C10	H10A	158.4°	NaN°
H10	C10	N8	HN8	17.0°	120.0°
H10A	C10	N8	HN8	138.2°	120.0°
H4	C4	C5	H5	168.4°	178.4°
H4A	C4	C5	H5	73.6°	58.3°
H5	C5	N6	HN6	60.9°	63.2°
H2	C2	C1	H1	70.9°	61.6°
H2	C2	C1	H1A	51.1°	58.4°
H2A	C2	C1	H1	48.4°	58.4°
H2A	C2	C1	H1A	170.3°	178.4°
H1	C1	N6	HN6	67.0°	56.9°
H1A	C1	N6	HN6	55.0°	63.2°

Definition date:	2008-03-25
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZJK