FDN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F13	C13	sing	1.35Å	1.34Å
C13	C12	doub	1.38Å	1.41Å	Aromatic
C13	C8	sing	1.38Å	1.43Å	Aromatic
C12	C11	sing	1.38Å	1.42Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C11	F11	sing	1.35Å	1.34Å
C11	C10	doub	1.39Å	1.40Å	Aromatic
C10	C9	sing	1.38Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C9	C8	doub	1.38Å	1.43Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C8	C5	sing	1.51Å	1.54Å
C5	C7	sing	1.53Å	1.54Å
C5	O4	sing	1.46Å	1.43Å
C5	C6	sing	1.52Å	1.53Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C7	H73	sing	1.09Å	1.10Å
O4	C3	sing	1.34Å	1.44Å
C3	O3	doub	1.21Å	1.22Å
C3	N2	sing	1.34Å	1.34Å
N2	C6	sing	1.35Å	1.34Å
N2	N1	sing	1.40Å	1.34Å
C6	O6	doub	1.21Å	1.22Å
N1	C21	sing	1.40Å	1.36Å
N1	HN1	sing	0.97Å	1.00Å
C21	C22	sing	1.39Å	1.42Å	Aromatic
C21	C26	doub	1.39Å	1.42Å	Aromatic
C22	C23	doub	1.38Å	1.41Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	C24	sing	1.38Å	1.42Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C24	C25	doub	1.38Å	1.42Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C25	C26	sing	1.38Å	1.41Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F13	C13	C12	116.8°	120.0°
F13	C13	C8	122.5°	120.0°
C12	C13	C8	120.7°	120.0°
C13	C12	C11	119.9°	119.9°
C13	C12	H12	120.1°	120.0°
C13	C8	C9	117.5°	120.0°
C13	C8	C5	122.1°	120.0°
C11	C12	H12	120.1°	120.0°
C12	C11	F11	120.4°	120.0°
C12	C11	C10	120.5°	119.9°
F11	C11	C10	119.0°	120.1°
C11	C10	C9	119.3°	120.1°
C11	C10	H10	120.3°	120.0°
C9	C10	H10	120.4°	120.0°
C10	C9	C8	122.0°	120.1°
C10	C9	H9	119.0°	119.9°
C8	C9	H9	119.0°	120.0°
C9	C8	C5	119.9°	120.0°
C8	C5	C7	115.2°	110.5°
C8	C5	O4	108.8°	110.5°
C8	C5	C6	115.4°	110.7°
C7	C5	O4	108.2°	110.6°
C7	C5	C6	106.8°	110.6°
C5	C7	H71	109.5°	109.4°
C5	C7	H72	109.5°	109.5°
C5	C7	H73	109.5°	109.4°
O4	C5	C6	101.4°	103.8°
C5	O4	C3	108.8°	106.9°
C5	C6	N2	109.8°	105.6°
C5	C6	O6	124.0°	127.2°
H71	C7	H72	109.5°	109.5°
H71	C7	H73	109.5°	109.5°
H72	C7	H73	109.5°	109.5°
O4	C3	O3	122.2°	123.8°
O4	C3	N2	109.1°	112.4°
O3	C3	N2	128.7°	123.8°
C3	N2	C6	110.9°	111.3°
C3	N2	N1	124.6°	124.3°
C6	N2	N1	124.4°	124.3°
N2	C6	O6	126.3°	127.2°
N2	N1	C21	125.7°	120.0°
N2	N1	HN1	104.4°	120.0°
C21	N1	HN1	104.4°	120.0°
N1	C21	C22	123.4°	120.0°
N1	C21	C26	117.2°	120.0°
C22	C21	C26	119.2°	119.9°
C21	C22	C23	120.7°	119.9°
C21	C22	H22	119.6°	120.1°
C21	C26	C25	120.7°	119.9°
C21	C26	H26	119.7°	120.0°
C23	C22	H22	119.6°	120.0°
C22	C23	C24	119.4°	120.1°
C22	C23	H23	120.3°	120.0°
C24	C23	H23	120.3°	120.0°
C23	C24	C25	120.6°	120.1°
C23	C24	H24	119.7°	119.9°
C25	C24	H24	119.7°	120.0°
C24	C25	C26	119.4°	120.1°
C24	C25	H25	120.3°	119.9°
C26	C25	H25	120.3°	120.0°
C25	C26	H26	119.6°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F13	C13	C12	C8	177.1°	179.5°
F13	C13	C12	C11	179.0°	180.0°
F13	C13	C12	H12	1.0°	0.2°
F13	C13	C8	C9	179.0°	180.0°
F13	C13	C8	C5	6.6°	0.2°
C13	C12	C11	H12	180.0°	179.7°
C13	C12	C11	F11	177.8°	179.8°
C13	C12	C11	C10	1.0°	0.2°
C12	C13	C8	C9	4.1°	0.5°
C12	C13	C8	C5	176.4°	179.7°
C8	C13	C12	C11	1.9°	0.5°
C8	C13	C12	H12	178.1°	179.8°
C13	C8	C9	C10	5.6°	0.3°
C13	C8	C9	C5	172.5°	179.8°
C13	C8	C9	H9	174.4°	179.8°
C13	C8	C5	C7	173.3°	60.9°
C13	C8	C5	O4	65.1°	176.3°
C13	C8	C5	C6	48.0°	61.9°
C12	C11	F11	C10	176.8°	180.0°
C12	C11	C10	C9	2.4°	0.0°
C12	C11	C10	H10	177.5°	180.0°
H12	C12	C11	F11	2.3°	0.0°
H12	C12	C11	C10	179.0°	180.0°
F11	C11	C10	C9	179.2°	180.0°
F11	C11	C10	H10	0.8°	0.0°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	C8	4.8°	0.0°
C11	C10	C9	H9	175.2°	180.0°
C10	C9	C8	H9	180.0°	180.0°
C10	C9	C8	C5	178.1°	180.0°
H10	C10	C9	C8	175.2°	180.0°
H10	C10	C9	H9	4.9°	0.0°
C9	C8	C5	C7	14.6°	119.3°
C9	C8	C5	O4	107.1°	3.5°
C9	C8	C5	C6	139.8°	117.9°
H9	C9	C8	C5	1.9°	0.0°
C8	C5	C7	O4	122.0°	122.7°
C8	C5	C7	C6	129.5°	122.9°
C8	C5	O4	C6	122.0°	118.7°
C8	C5	C7	H71	68.4°	62.1°
C8	C5	C7	H72	51.6°	58.0°
C8	C5	C7	H73	171.6°	178.0°
C8	C5	O4	C3	123.2°	118.7°
C8	C5	C6	N2	118.2°	118.6°
C8	C5	C6	O6	61.9°	61.4°
C7	C5	O4	C6	112.1°	118.6°
C5	C7	H71	H72	120.0°	120.0°
C5	C7	H71	H73	120.0°	119.9°
C5	C7	H72	H73	120.0°	120.0°
C7	C5	O4	C3	110.9°	118.6°
C7	C5	C6	N2	112.4°	118.6°
C7	C5	C6	O6	67.6°	61.4°
O4	C5	C7	H71	169.6°	60.7°
O4	C5	C7	H72	70.4°	179.3°
O4	C5	C7	H73	49.6°	59.3°
C5	O4	C3	O3	178.2°	179.9°
C5	O4	C3	N2	1.2°	0.1°
O4	C5	C6	N2	0.8°	0.1°
O4	C5	C6	O6	179.2°	180.0°
C6	C5	C7	H71	61.2°	175.0°
C6	C5	C7	H72	178.9°	64.9°
C6	C5	C7	H73	58.9°	55.1°
C6	C5	O4	C3	1.2°	0.1°
C5	C6	N2	C3	0.1°	0.0°
C5	C6	N2	O6	180.0°	179.9°
C5	C6	N2	N1	176.1°	180.0°
H71	C7	H72	H73	120.0°	120.0°
O4	C3	O3	N2	179.3°	180.0°
O4	C3	N2	C6	0.7°	0.0°
O4	C3	N2	N1	176.9°	180.0°
O3	C3	N2	C6	178.7°	180.0°
O3	C3	N2	N1	2.5°	0.0°
C3	N2	C6	N1	176.3°	180.0°
C3	N2	C6	O6	179.9°	180.0°
C3	N2	N1	C21	92.1°	74.9°
C3	N2	N1	HN1	27.9°	105.0°
C6	N2	N1	C21	92.1°	105.0°
C6	N2	N1	HN1	147.9°	75.0°
N1	N2	C6	O6	3.8°	0.0°
N2	N1	C21	HN1	120.0°	180.0°
N2	N1	C21	C22	12.0°	0.2°
N2	N1	C21	C26	173.1°	180.0°
N1	C21	C22	C26	174.8°	179.7°
N1	C21	C22	C23	175.8°	179.8°
N1	C21	C22	H22	4.2°	0.2°
N1	C21	C26	C25	176.4°	180.0°
N1	C21	C26	H26	3.6°	0.1°
HN1	N1	C21	C22	108.0°	179.7°
HN1	N1	C21	C26	66.9°	0.0°
C21	C22	C23	H22	180.0°	179.6°
C21	C22	C23	C24	0.4°	0.5°
C21	C22	C23	H23	179.6°	179.8°
C22	C21	C26	C25	1.2°	0.3°
C22	C21	C26	H26	178.8°	179.8°
C26	C21	C22	C23	0.9°	0.5°
C26	C21	C22	H22	179.1°	179.9°
C21	C26	C25	C24	1.0°	0.1°
C21	C26	C25	H26	180.0°	179.9°
C21	C26	C25	H25	179.0°	180.0°
C22	C23	C24	H23	180.0°	179.7°
C22	C23	C24	C25	0.3°	0.3°
C22	C23	C24	H24	179.7°	179.8°
H22	C22	C23	C24	179.6°	179.9°
H22	C22	C23	H23	0.4°	0.2°
C23	C24	C25	H24	180.0°	180.0°
C23	C24	C25	C26	0.6°	0.0°
C23	C24	C25	H25	179.5°	180.0°
H23	C23	C24	C25	179.7°	180.0°
H23	C23	C24	H24	0.3°	0.0°
C24	C25	C26	H25	180.0°	180.0°
C24	C25	C26	H26	178.9°	180.0°
H24	C24	C25	C26	179.4°	180.0°
H24	C24	C25	H25	0.6°	0.0°
H25	C25	C26	H26	1.0°	0.1°

Definition date:	2006-02-10
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	2FYU