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Summary Geometry Related PDB entries

FBF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	doub	1.39Å	1.40Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C3	C2	doub	1.38Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	C3	sing	1.38Å	1.39Å	Aromatic
C10	C3	sing	1.51Å	1.54Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.39Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.48Å	1.51Å
N8	C7	doub	1.30Å	1.34Å
C7	N9	sing	1.38Å	1.28Å
N8	HN8	sing	0.97Å	1.00Å
N9	HN9	sing	0.97Å	1.00Å
N9	HN9A	sing	0.97Å	1.00Å
F13	C10	sing	1.40Å	1.34Å
C10	F12	sing	1.40Å	1.36Å
C10	F11	sing	1.40Å	1.35Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	117.7°	119.8°
C6	C1	H1	121.2°	120.1°
C1	C6	C5	120.0°	119.7°
C1	C6	C7	120.5°	120.1°
C2	C1	H1	121.1°	120.1°
C1	C2	C3	121.6°	120.1°
C1	C2	H2	119.2°	119.9°
C3	C2	H2	119.2°	120.0°
C2	C3	C4	120.2°	120.3°
C2	C3	C10	122.0°	119.9°
C4	C3	C10	117.4°	119.9°
C3	C4	C5	117.3°	120.1°
C3	C4	H4	121.4°	119.9°
C3	C10	F13	109.9°	109.5°
C3	C10	F12	112.3°	109.5°
C3	C10	F11	106.0°	109.5°
C5	C4	H4	121.3°	119.9°
C4	C5	C6	123.1°	119.9°
C4	C5	H5	118.4°	120.1°
C6	C5	H5	118.4°	120.0°
C5	C6	C7	119.5°	120.2°
C6	C7	N8	117.3°	120.0°
C6	C7	N9	119.2°	120.1°
N8	C7	N9	123.4°	120.0°
C7	N8	HN8	112.0°	120.0°
C7	N9	HN9	120.0°	120.0°
C7	N9	HN9A	120.0°	120.1°
HN9	N9	HN9A	120.0°	120.0°
F13	C10	F12	106.3°	109.5°
F13	C10	F11	113.2°	109.5°
F12	C10	F11	109.2°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	H1	180.0°	179.8°
C6	C1	C2	C3	2.9°	0.2°
C6	C1	C2	H2	177.1°	179.7°
C1	C6	C5	C4	2.6°	0.5°
C1	C6	C5	C7	179.6°	179.5°
C1	C6	C5	H5	177.4°	179.8°
C1	C6	C7	N8	142.9°	179.6°
C1	C6	C7	N9	34.2°	0.5°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	1.6°	0.0°
C1	C2	C3	C10	175.1°	180.0°
C2	C1	C6	C5	3.4°	0.5°
C2	C1	C6	C7	177.0°	180.0°
H1	C1	C2	C3	177.1°	180.0°
H1	C1	C2	H2	3.0°	0.1°
H1	C1	C6	C5	176.6°	179.7°
H1	C1	C6	C7	3.0°	0.2°
C2	C3	C4	C10	173.8°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H4	179.4°	180.0°
C2	C3	C10	F13	132.7°	150.0°
C2	C3	C10	F12	109.2°	90.0°
C2	C3	C10	F11	10.0°	30.0°
H2	C2	C3	C4	178.4°	180.0°
H2	C2	C3	C10	4.9°	0.1°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	1.2°	0.2°
C3	C4	C5	H5	178.8°	180.0°
C4	C3	C10	F13	53.7°	30.0°
C4	C3	C10	F12	64.5°	90.0°
C4	C3	C10	F11	176.3°	150.0°
C10	C3	C4	C5	174.4°	180.0°
C10	C3	C4	H4	5.6°	0.0°
C3	C10	F13	F12	121.8°	120.0°
C3	C10	F13	F11	118.3°	120.0°
C3	C10	F12	F11	117.3°	120.0°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	C7	177.7°	180.0°
H4	C4	C5	C6	178.8°	179.7°
H4	C4	C5	H5	1.2°	0.0°
C5	C6	C7	N8	36.7°	0.0°
C5	C6	C7	N9	146.1°	180.0°
H5	C5	C6	C7	2.3°	0.2°
C6	C7	N8	N9	177.0°	180.0°
C6	C7	N8	HN8	177.0°	180.0°
C6	C7	N9	HN9	176.9°	0.1°
C6	C7	N9	HN9A	3.0°	180.0°
N8	C7	N9	HN9	0.0°	180.0°
N8	C7	N9	HN9A	180.0°	0.1°
N9	C7	N8	HN8	0.0°	0.1°
C7	N9	HN9	HN9A	180.0°	179.9°
F13	C10	F12	F11	122.4°	120.0°

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