C2F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.38Å	Aromatic
N1	C8A	sing	1.34Å	1.40Å	Aromatic
C2	NA2	sing	1.37Å	1.39Å
C2	N3	sing	1.36Å	1.39Å	Aromatic
NA2	HN21	sing	0.97Å	1.02Å
NA2	HN22	sing	0.97Å	1.02Å
N3	C4	sing	1.35Å	1.44Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C4	O4	doub	1.22Å	1.23Å
C4	C4A	sing	1.40Å	1.51Å	Aromatic
C4A	N5	sing	1.41Å	1.45Å
C4A	C8A	doub	1.39Å	1.39Å	Aromatic
N5	C6	sing	1.47Å	1.38Å
N5	C11	sing	1.46Å	1.47Å
C6	C7	sing	1.54Å	1.50Å
C6	C9	sing	1.53Å	1.55Å
C6	H6	sing	1.09Å	1.12Å
C7	N8	sing	1.47Å	1.46Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
N8	C8A	sing	1.39Å	1.39Å
N8	HN8	sing	0.97Å	1.02Å
C9	N10	sing	1.47Å	1.52Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.12Å
N10	C15	sing	1.39Å	1.46Å
N10	HN1	sing	0.97Å	1.02Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.12Å
C11	H113	sing	1.09Å	1.11Å
C12	C13	doub	1.40Å	1.40Å	Aromatic
C12	C17	sing	1.40Å	1.43Å	Aromatic
C12	C	sing	1.47Å	1.53Å
C13	C14	sing	1.38Å	1.38Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	doub	1.39Å	1.42Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	C16	sing	1.39Å	1.42Å	Aromatic
C16	C17	doub	1.38Å	1.36Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	H17	sing	1.08Å	1.10Å
C	O	doub	1.22Å	1.25Å
C	N	sing	1.35Å	1.41Å
N	CA	sing	1.47Å	1.47Å
N	HN	sing	0.97Å	1.02Å
CA	CB	sing	1.53Å	1.55Å
CA	CT	sing	1.51Å	1.51Å
CA	HA	sing	1.09Å	1.11Å
CB	CG	sing	1.53Å	1.55Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
CG	CD	sing	1.51Å	1.58Å
CG	HG1	sing	1.09Å	1.12Å
CG	HG2	sing	1.09Å	1.11Å
CD	OE1	doub	1.21Å	1.27Å
CD	OE2	sing	1.34Å	1.25Å
OE2	HOE2	sing	0.97Å	0.95Å
CT	O1	doub	1.21Å	1.25Å
CT	O2	sing	1.34Å	1.24Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C8A	121.1°	121.0°
N1	C2	NA2	121.9°	119.2°
N1	C2	N3	122.1°	121.6°
N1	C8A	C4A	119.8°	119.6°
N1	C8A	N8	120.0°	120.5°
NA2	C2	N3	116.0°	119.2°
C2	NA2	HN21	121.8°	120.0°
C2	NA2	HN22	107.8°	120.0°
C2	N3	C4	120.6°	120.2°
C2	N3	HN3	118.0°	119.9°
HN21	NA2	HN22	107.9°	120.0°
C4	N3	HN3	121.4°	119.9°
N3	C4	O4	124.9°	120.7°
N3	C4	C4A	115.5°	118.5°
O4	C4	C4A	119.6°	120.8°
C4	C4A	N5	121.9°	120.8°
C4	C4A	C8A	120.9°	119.1°
N5	C4A	C8A	117.2°	120.1°
C4A	N5	C6	118.9°	118.4°
C4A	N5	C11	121.0°	120.8°
C4A	C8A	N8	120.2°	119.9°
C6	N5	C11	114.0°	120.8°
N5	C6	C7	111.2°	108.0°
N5	C6	C9	114.3°	109.8°
N5	C6	H6	105.6°	109.7°
N5	C11	H111	121.0°	109.5°
N5	C11	H112	108.1°	109.5°
N5	C11	H113	108.1°	109.5°
C7	C6	C9	111.7°	109.8°
C7	C6	H6	108.6°	109.7°
C6	C7	N8	113.7°	108.3°
C6	C7	H71	110.7°	109.7°
C6	C7	H72	110.7°	109.6°
C9	C6	H6	105.0°	109.8°
C6	C9	N10	103.6°	109.5°
C6	C9	H91	114.4°	109.5°
C6	C9	H92	114.4°	109.5°
N8	C7	H71	110.7°	109.7°
N8	C7	H72	110.7°	109.7°
C7	N8	C8A	121.1°	119.1°
C7	N8	HN8	108.0°	120.4°
H71	C7	H72	99.6°	109.7°
C8A	N8	HN8	108.1°	120.5°
N10	C9	H91	114.4°	109.4°
N10	C9	H92	114.4°	109.5°
C9	N10	C15	119.7°	120.0°
C9	N10	HN1	108.6°	120.0°
H91	C9	H92	96.1°	109.4°
C15	N10	HN1	108.6°	120.1°
N10	C15	C14	120.1°	119.9°
N10	C15	C16	121.5°	120.0°
H111	C11	H112	108.0°	109.5°
H111	C11	H113	108.1°	109.4°
H112	C11	H113	101.8°	109.4°
C13	C12	C17	117.5°	119.8°
C13	C12	C	122.1°	120.0°
C12	C13	C14	122.0°	119.9°
C12	C13	H13	119.9°	120.1°
C17	C12	C	120.4°	120.1°
C12	C17	C16	121.2°	120.0°
C12	C17	H17	121.7°	120.0°
C12	C	O	117.4°	120.0°
C12	C	N	117.3°	120.0°
C14	C13	H13	118.1°	120.0°
C13	C14	C15	120.2°	120.0°
C13	C14	H14	118.6°	120.0°
C15	C14	H14	121.2°	120.0°
C14	C15	C16	118.2°	120.2°
C15	C16	C17	120.8°	120.0°
C15	C16	H16	121.8°	120.0°
C17	C16	H16	117.5°	120.0°
C16	C17	H17	117.1°	120.0°
O	C	N	125.4°	120.0°
C	N	CA	110.6°	120.0°
C	N	HN	122.9°	120.0°
CA	N	HN	126.5°	120.0°
N	CA	CB	105.9°	109.5°
N	CA	CT	106.0°	109.5°
N	CA	HA	116.1°	109.5°
CB	CA	CT	115.2°	109.5°
CB	CA	HA	107.0°	109.5°
CA	CB	CG	132.3°	109.5°
CA	CB	HB1	104.3°	109.5°
CA	CB	HB2	104.3°	109.5°
CT	CA	HA	107.0°	109.4°
CA	CT	O1	112.5°	120.1°
CA	CT	O2	117.0°	119.9°
CG	CB	HB1	104.3°	109.4°
CG	CB	HB2	104.3°	109.5°
CB	CG	CD	108.3°	109.5°
CB	CG	HG1	112.7°	109.4°
CB	CG	HG2	112.7°	109.5°
HB1	CB	HB2	104.6°	109.5°
CD	CG	HG1	112.6°	109.4°
CD	CG	HG2	112.6°	109.5°
CG	CD	OE1	114.5°	119.9°
CG	CD	OE2	116.9°	120.1°
HG1	CG	HG2	97.8°	109.5°
OE1	CD	OE2	128.4°	120.0°
CD	OE2	HOE2	116.9°	120.1°
O1	CT	O2	130.4°	120.0°
CT	O2	HO2	117.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	NA2	N3	178.9°	179.7°
N1	C2	NA2	HN21	180.0°	0.3°
N1	C2	NA2	HN22	54.7°	179.7°
N1	C2	N3	C4	0.2°	0.4°
N1	C2	N3	HN3	179.8°	179.6°
C2	N1	C8A	C4A	1.0°	0.4°
C2	N1	C8A	N8	179.1°	179.9°
C8A	N1	C2	NA2	179.7°	179.7°
C8A	N1	C2	N3	0.8°	0.6°
N1	C8A	C4A	C4	0.5°	0.2°
N1	C8A	C4A	N5	179.4°	179.6°
N1	C8A	C4A	N8	178.2°	179.6°
N1	C8A	N8	C7	176.5°	162.9°
N1	C8A	N8	HN8	51.3°	17.0°
C2	NA2	HN21	HN22	125.3°	180.0°
NA2	C2	N3	C4	179.2°	179.9°
NA2	C2	N3	HN3	0.9°	0.1°
N3	C2	NA2	HN21	1.1°	180.0°
N3	C2	NA2	HN22	124.3°	0.0°
C2	N3	C4	HN3	180.0°	180.0°
C2	N3	C4	O4	179.8°	179.9°
C2	N3	C4	C4A	0.2°	0.2°
N3	C4	O4	C4A	179.9°	179.9°
N3	C4	C4A	N5	178.8°	179.5°
N3	C4	C4A	C8A	0.1°	0.0°
HN3	N3	C4	O4	0.3°	0.1°
HN3	N3	C4	C4A	179.8°	179.9°
O4	C4	C4A	N5	1.3°	0.6°
O4	C4	C4A	C8A	179.9°	180.0°
C4	C4A	N5	C8A	178.9°	179.4°
C4	C4A	N5	C6	151.3°	164.1°
C4	C4A	N5	C11	57.8°	15.7°
C4	C4A	C8A	N8	178.7°	179.8°
C4A	N5	C6	C11	152.8°	179.8°
C4A	N5	C6	C7	49.1°	44.4°
C4A	N5	C6	C9	78.4°	75.3°
C4A	N5	C6	H6	166.7°	164.0°
N5	C4A	C8A	N8	2.4°	0.8°
C4A	N5	C11	H111	180.0°	65.0°
C4A	N5	C11	H112	54.8°	175.0°
C4A	N5	C11	H113	54.7°	55.0°
C8A	C4A	N5	C6	29.8°	16.5°
C8A	C4A	N5	C11	121.1°	163.8°
C4A	C8A	N8	C7	1.6°	17.5°
C4A	C8A	N8	HN8	126.9°	162.6°
N5	C6	C7	C9	129.0°	119.7°
N5	C6	C7	H6	115.7°	119.6°
N5	C6	C9	H6	115.2°	120.7°
N5	C6	C7	N8	42.2°	56.4°
N5	C6	C7	H71	83.1°	63.3°
N5	C6	C7	H72	167.5°	176.1°
N5	C6	C9	N10	52.8°	60.0°
N5	C6	C9	H91	72.5°	60.0°
N5	C6	C9	H92	178.0°	180.0°
C6	N5	C11	H111	27.8°	114.7°
C6	N5	C11	H112	97.4°	5.3°
C6	N5	C11	H113	153.1°	125.2°
C11	N5	C6	C7	103.7°	135.9°
C11	N5	C6	C9	128.8°	104.4°
C11	N5	C6	H6	13.9°	16.3°
N5	C11	H111	H112	125.3°	120.0°
N5	C11	H111	H113	125.3°	120.1°
N5	C11	H112	H113	113.8°	120.0°
C7	C6	C9	H6	117.5°	120.7°
C6	C7	N8	H71	125.3°	119.7°
C6	C7	N8	H72	125.3°	119.6°
C6	C7	H71	H72	116.5°	120.5°
C6	C7	N8	C8A	18.4°	45.7°
C6	C7	N8	HN8	106.9°	134.4°
C7	C6	C9	N10	179.9°	178.6°
C7	C6	C9	H91	54.8°	58.6°
C7	C6	C9	H92	54.7°	61.4°
C9	C6	C7	N8	86.8°	63.3°
C9	C6	C7	H71	147.9°	177.0°
C9	C6	C7	H72	38.5°	56.4°
C6	C9	N10	H91	125.3°	120.0°
C6	C9	N10	H92	125.2°	120.0°
C6	C9	H91	H92	120.3°	120.0°
C6	C9	N10	C15	134.6°	180.0°
C6	C9	N10	HN1	9.4°	0.0°
H6	C6	C7	N8	157.9°	176.0°
H6	C6	C7	H71	32.6°	56.3°
H6	C6	C7	H72	76.8°	64.3°
H6	C6	C9	N10	62.5°	60.7°
H6	C6	C9	H91	172.3°	179.3°
H6	C6	C9	H92	62.8°	59.3°
N8	C7	H71	H72	116.5°	120.6°
C7	N8	C8A	HN8	125.2°	179.9°
H71	C7	N8	C8A	106.9°	74.0°
H71	C7	N8	HN8	127.8°	105.9°
H72	C7	N8	C8A	143.7°	165.3°
H72	C7	N8	HN8	18.4°	14.7°
N10	C9	H91	H92	120.3°	120.0°
C9	N10	C15	HN1	125.3°	180.0°
C9	N10	C15	C14	6.1°	180.0°
C9	N10	C15	C16	169.3°	0.3°
H91	C9	N10	C15	9.4°	60.0°
H91	C9	N10	HN1	115.9°	120.0°
H92	C9	N10	C15	100.1°	60.0°
H92	C9	N10	HN1	134.6°	120.0°
N10	C15	C14	C13	177.5°	180.0°
N10	C15	C14	C16	175.5°	179.7°
N10	C15	C14	H14	2.5°	0.0°
N10	C15	C16	C17	178.9°	179.7°
N10	C15	C16	H16	1.1°	0.3°
HN1	N10	C15	C14	119.2°	0.0°
HN1	N10	C15	C16	65.4°	179.7°
H111	C11	H112	H113	113.7°	119.9°
C13	C12	C17	C	179.7°	180.0°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.4°	0.1°
C12	C13	C14	H14	179.6°	180.0°
C13	C12	C17	C16	1.6°	0.2°
C13	C12	C17	H17	178.4°	180.0°
C13	C12	C	O	0.0°	0.0°
C13	C12	C	N	179.7°	179.9°
C17	C12	C13	C14	0.1°	0.1°
C17	C12	C13	H13	179.9°	180.0°
C12	C17	C16	C15	3.4°	0.5°
C12	C17	C16	H17	180.0°	179.8°
C12	C17	C16	H16	176.7°	180.0°
C17	C12	C	O	179.7°	180.0°
C17	C12	C	N	0.6°	0.0°
C	C12	C13	C14	179.6°	179.9°
C	C12	C13	H13	0.4°	0.0°
C	C12	C17	C16	178.1°	179.7°
C	C12	C17	H17	1.9°	0.0°
C12	C	O	N	179.7°	179.9°
C12	C	N	CA	178.9°	180.0°
C12	C	N	HN	1.1°	0.0°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	2.0°	0.2°
H13	C13	C14	C15	179.6°	180.0°
H13	C13	C14	H14	0.4°	0.1°
C14	C15	C16	C17	3.5°	0.6°
C14	C15	C16	H16	176.5°	180.0°
H14	C14	C15	C16	178.0°	179.7°
C15	C16	C17	H16	180.0°	179.4°
C15	C16	C17	H17	176.6°	179.7°
H16	C16	C17	H17	3.3°	0.3°
O	C	N	CA	1.5°	0.1°
O	C	N	HN	178.6°	179.9°
C	N	CA	HN	180.0°	180.0°
C	N	CA	CB	105.1°	150.0°
C	N	CA	CT	132.1°	89.9°
C	N	CA	HA	13.5°	30.0°
N	CA	CB	CT	116.8°	120.1°
N	CA	CB	HA	124.4°	120.0°
N	CA	CT	HA	124.4°	120.0°
N	CA	CB	CG	21.0°	60.0°
N	CA	CB	HB1	146.3°	60.0°
N	CA	CB	HB2	104.2°	180.0°
N	CA	CT	O1	14.8°	150.0°
N	CA	CT	O2	167.0°	30.1°
HN	N	CA	CB	74.9°	30.0°
HN	N	CA	CT	48.0°	90.1°
HN	N	CA	HA	166.5°	150.0°
CB	CA	CT	HA	118.8°	120.0°
CA	CB	CG	HB1	125.2°	120.0°
CA	CB	CG	HB2	125.2°	120.0°
CA	CB	HB1	HB2	109.3°	120.0°
CA	CB	CG	CD	139.4°	180.0°
CA	CB	CG	HG1	14.2°	60.0°
CA	CB	CG	HG2	95.3°	60.0°
CB	CA	CT	O1	102.0°	89.9°
CB	CA	CT	O2	76.2°	90.0°
CT	CA	CB	CG	95.7°	180.0°
CT	CA	CB	HB1	29.5°	60.1°
CT	CA	CB	HB2	139.0°	60.0°
CA	CT	O1	O2	177.9°	179.9°
CA	CT	O2	HO2	180.0°	180.0°
HA	CA	CB	CG	145.5°	60.1°
HA	CA	CB	HB1	89.3°	180.0°
HA	CA	CB	HB2	20.2°	60.0°
HA	CA	CT	O1	139.2°	30.1°
HA	CA	CT	O2	42.5°	150.1°
CG	CB	HB1	HB2	109.3°	120.0°
CB	CG	CD	HG1	125.3°	120.0°
CB	CG	CD	HG2	125.3°	120.0°
CB	CG	HG1	HG2	118.6°	120.0°
CB	CG	CD	OE1	44.1°	0.0°
CB	CG	CD	OE2	130.9°	180.0°
HB1	CB	CG	CD	95.3°	60.0°
HB1	CB	CG	HG1	139.4°	180.0°
HB1	CB	CG	HG2	29.9°	60.0°
HB2	CB	CG	CD	14.2°	60.0°
HB2	CB	CG	HG1	111.1°	60.0°
HB2	CB	CG	HG2	139.5°	180.0°
CD	CG	HG1	HG2	118.5°	120.0°
CG	CD	OE1	OE2	174.3°	180.0°
CG	CD	OE2	HOE2	180.0°	179.9°
HG1	CG	CD	OE1	169.4°	120.0°
HG1	CG	CD	OE2	5.6°	60.0°
HG2	CG	CD	OE1	81.2°	120.0°
HG2	CG	CD	OE2	103.8°	60.0°
OE1	CD	OE2	HOE2	5.8°	0.0°
O1	CT	O2	HO2	2.1°	0.1°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1TSN