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Summary Geometry Related PDB entries

1FD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F2	C1	sing	1.40Å	1.33Å
F1	C1	sing	1.40Å	1.33Å
C1	O	sing	1.43Å	1.38Å
C1	F3	sing	1.40Å	1.33Å
O	C2	sing	1.36Å	1.37Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C2	C7	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C7	C6	doub	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C5	C8	sing	1.51Å	1.49Å
C8	N	sing	1.47Å	1.44Å
C7	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
N	H5	sing	1.01Å	1.00Å
N	H6	sing	1.01Å	1.00Å
C4	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F2	C1	F1	109.7°	109.5°
F2	C1	O	109.2°	109.5°
F2	C1	F3	108.7°	109.5°
F1	C1	O	108.8°	109.4°
F1	C1	F3	108.6°	109.5°
O	C1	F3	111.8°	109.4°
C1	O	C2	122.3°	117.0°
O	C2	C3	119.2°	120.0°
O	C2	C7	120.7°	120.0°
C3	C2	C7	120.0°	119.9°
C2	C3	C4	119.9°	119.9°
C2	C3	H9	120.1°	120.0°
C2	C7	C6	120.2°	120.0°
C2	C7	H1	119.9°	120.0°
C3	C4	C5	120.1°	120.1°
C3	C4	H8	119.9°	119.9°
C4	C3	H9	120.1°	120.1°
C7	C6	C5	119.7°	120.0°
C6	C7	H1	119.9°	120.0°
C7	C6	H2	120.1°	120.0°
C4	C5	C6	120.1°	120.1°
C4	C5	C8	119.7°	119.9°
C5	C4	H8	119.9°	120.0°
C6	C5	C8	120.3°	120.0°
C5	C6	H2	120.1°	120.0°
C5	C8	N	116.1°	109.5°
C5	C8	H3	107.8°	109.5°
C5	C8	H4	107.8°	109.4°
N	C8	H3	107.8°	109.5°
N	C8	H4	107.8°	109.5°
C8	N	H5	109.5°	111.0°
C8	N	H6	109.4°	111.0°
H3	C8	H4	109.4°	109.5°
H5	N	H6	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F2	C1	F1	O	119.4°	120.0°
F2	C1	F1	F3	118.7°	120.0°
F2	C1	O	F3	120.3°	120.0°
F2	C1	O	C2	106.6°	180.0°
F1	C1	O	F3	119.9°	119.9°
F1	C1	O	C2	133.6°	60.0°
C1	O	C2	C3	103.3°	180.0°
C1	O	C2	C7	77.6°	0.3°
F3	C1	O	C2	13.7°	60.0°
O	C2	C3	C7	179.1°	179.7°
O	C2	C3	C4	179.6°	179.8°
O	C2	C7	C6	179.9°	180.0°
O	C2	C7	H1	0.1°	0.1°
O	C2	C3	H9	0.4°	0.1°
C2	C3	C4	H9	180.0°	179.7°
C3	C2	C7	C6	0.8°	0.3°
C2	C3	C4	C5	0.1°	0.6°
C3	C2	C7	H1	179.2°	179.8°
C2	C3	C4	H8	179.9°	179.8°
C7	C2	C3	C4	0.5°	0.6°
C2	C7	C6	H1	180.0°	179.9°
C2	C7	C6	C5	0.6°	0.0°
C2	C7	C6	H2	179.4°	180.0°
C7	C2	C3	H9	179.5°	179.7°
C3	C4	C5	H8	180.0°	179.7°
C3	C4	C5	C6	0.1°	0.3°
C3	C4	C5	C8	179.5°	179.7°
C7	C6	C5	C4	0.2°	0.0°
C7	C6	C5	H2	180.0°	180.0°
C7	C6	C5	C8	179.7°	180.0°
C4	C5	C6	C8	179.5°	180.0°
C4	C5	C8	N	90.5°	90.0°
C4	C5	C6	H2	179.8°	180.0°
C4	C5	C8	H3	148.5°	30.0°
C4	C5	C8	H4	30.5°	150.0°
C5	C4	C3	H9	179.9°	179.8°
C6	C5	C8	N	89.0°	90.0°
C5	C6	C7	H1	179.4°	179.9°
C6	C5	C8	H3	31.9°	150.0°
C6	C5	C8	H4	150.0°	30.0°
C6	C5	C4	H8	179.9°	180.0°
C5	C8	N	H3	121.0°	120.0°
C5	C8	N	H4	121.0°	120.0°
C8	C5	C6	H2	0.3°	0.0°
C5	C8	H3	H4	117.0°	120.0°
C5	C8	N	H5	180.0°	180.0°
C5	C8	N	H6	60.0°	56.0°
C8	C5	C4	H8	0.5°	0.0°
N	C8	H3	H4	117.0°	120.0°
C8	N	H5	H6	120.0°	123.9°
H1	C7	C6	H2	0.6°	0.1°
H3	C8	N	H5	59.0°	60.0°
H3	C8	N	H6	179.0°	176.1°
H4	C8	N	H5	59.0°	60.0°
H4	C8	N	H6	61.0°	63.9°
H8	C4	C3	H9	0.1°	0.1°

246704

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