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Summary Geometry Related PDB entries

FOU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	doub	1.22Å	1.21Å
N2	C2	sing	1.34Å	1.44Å
N2	C3	sing	1.46Å	1.45Å
C2	N1	sing	1.34Å	1.44Å
O3	C3	sing	1.43Å	1.22Å
C3	C4	sing	1.53Å	1.50Å
N1	C1	sing	1.46Å	1.45Å
C4	C1	sing	1.53Å	1.57Å
C4	F1	sing	1.40Å	1.43Å
C1	O1	sing	1.43Å	1.40Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
N1	H3	sing	0.97Å	1.00Å
N2	H4	sing	0.97Å	1.00Å
C3	H5	sing	1.09Å	1.10Å
O3	H6	sing	0.97Å	0.95Å
C4	H7	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	N2	122.0°	118.7°
O2	C2	N1	121.9°	118.7°
C2	N2	C3	119.0°	121.4°
N2	C2	N1	116.1°	122.6°
C2	N2	H4	120.5°	119.3°
N2	C3	O3	116.9°	109.5°
N2	C3	C4	112.5°	109.2°
C3	N2	H4	120.5°	119.3°
N2	C3	H5	104.3°	109.6°
C2	N1	C1	116.9°	121.3°
C2	N1	H3	121.6°	119.3°
O3	C3	C4	110.9°	109.5°
O3	C3	H5	107.1°	109.6°
C3	O3	H6	109.5°	113.9°
C3	C4	C1	106.7°	108.5°
C3	C4	F1	108.5°	109.6°
C4	C3	H5	103.8°	109.5°
C3	C4	H7	111.5°	109.6°
N1	C1	C4	114.1°	109.2°
N1	C1	O1	109.7°	109.5°
N1	C1	H2	109.4°	109.5°
C1	N1	H3	121.6°	119.4°
C1	C4	F1	106.7°	109.7°
C4	C1	O1	105.6°	109.5°
C4	C1	H2	107.8°	109.5°
C1	C4	H7	110.5°	109.7°
F1	C4	H7	112.7°	109.7°
C1	O1	H1	109.5°	114.0°
O1	C1	H2	110.1°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	N2	N1	178.0°	179.9°
O2	C2	N2	C3	147.1°	179.4°
O2	C2	N1	C1	149.5°	179.5°
O2	C2	N1	H3	30.5°	0.5°
O2	C2	N2	H4	32.9°	0.5°
C2	N2	C3	H4	180.0°	180.0°
C2	N2	C3	O3	178.1°	149.0°
C2	N2	C3	C4	48.0°	29.1°
N2	C2	N1	C1	32.5°	0.6°
N2	C2	N1	H3	147.5°	179.5°
C2	N2	C3	H5	63.9°	90.8°
C3	N2	C2	N1	34.8°	0.6°
N2	C3	O3	C4	130.8°	119.7°
N2	C3	O3	H5	116.5°	120.2°
N2	C3	C4	H5	112.2°	119.9°
N2	C3	C4	C1	53.9°	55.5°
N2	C3	C4	F1	168.5°	175.2°
N2	C3	O3	H6	180.0°	60.0°
N2	C3	C4	H7	66.8°	64.3°
C2	N1	C1	H3	180.0°	179.9°
C2	N1	C1	C4	43.6°	29.1°
C2	N1	C1	O1	74.7°	90.8°
C2	N1	C1	H2	164.4°	149.0°
N1	C2	N2	H4	145.1°	179.4°
O3	C3	C4	H5	114.8°	120.2°
O3	C3	C4	C1	173.1°	175.4°
O3	C3	C4	F1	58.4°	64.9°
O3	C3	N2	H4	1.9°	31.0°
O3	C3	C4	H7	66.2°	55.6°
C3	C4	C1	N1	53.2°	55.5°
C3	C4	C1	F1	115.8°	119.7°
C3	C4	C1	H7	121.4°	119.7°
C3	C4	F1	H7	123.9°	120.4°
C3	C4	C1	O1	67.4°	64.5°
C3	C4	C1	H2	174.9°	175.4°
C4	C3	N2	H4	132.0°	150.9°
C4	C3	O3	H6	49.2°	179.7°
N1	C1	C4	O1	120.5°	120.0°
N1	C1	C4	H2	121.7°	119.9°
N1	C1	C4	F1	169.0°	175.2°
N1	C1	O1	H2	120.4°	120.2°
N1	C1	O1	H1	180.0°	60.2°
N1	C1	C4	H7	68.2°	64.2°
C1	C4	F1	H7	121.4°	120.6°
C4	C1	O1	H2	116.2°	120.1°
C4	C1	O1	H1	56.6°	179.9°
C4	C1	N1	H3	136.4°	150.9°
C1	C4	C3	H5	58.3°	64.5°
F1	C4	C1	O1	48.5°	55.2°
F1	C4	C1	H2	69.3°	64.9°
F1	C4	C3	H5	56.3°	55.3°
O1	C1	N1	H3	105.3°	89.1°
O1	C1	C4	H7	171.3°	175.8°
H1	O1	C1	H2	59.6°	60.0°
H2	C1	N1	H3	15.6°	31.1°
H2	C1	C4	H7	53.5°	55.7°
H4	N2	C3	H5	116.1°	89.2°
H5	C3	O3	H6	63.5°	60.1°
H5	C3	C4	H7	179.0°	175.8°

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