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Summary Geometry Related PDB entries

HF6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	O12	sing	1.43Å	1.45Å
C2	C3	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.40Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
O12	C10	sing	1.35Å	1.34Å
C8	C1	sing	1.47Å	1.47Å
C8	C9	doub	1.35Å	1.33Å
C1	C6	doub	1.40Å	1.40Å	Aromatic
C4	O7	sing	1.36Å	1.37Å
C4	C5	doub	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.42Å	1.48Å
C10	O11	doub	1.22Å	1.21Å
C6	C5	sing	1.38Å	1.39Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
O7	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	O12	C10	116.1°	117.0°
O12	C13	H7	109.5°	109.5°
O12	C13	H8	109.5°	109.5°
O12	C13	H9	109.4°	109.5°
C3	C2	C1	121.6°	119.8°
C2	C3	C4	120.0°	120.2°
C3	C2	H1	119.2°	120.1°
C2	C3	H2	120.0°	119.9°
C2	C1	C8	117.7°	120.1°
C2	C1	C6	117.6°	119.8°
C1	C2	H1	119.2°	120.1°
C3	C4	O7	118.6°	119.9°
C3	C4	C5	119.7°	120.2°
C4	C3	H2	120.0°	119.9°
O12	C10	C9	111.6°	119.9°
O12	C10	O11	123.3°	120.1°
C1	C8	C9	127.5°	120.0°
C8	C1	C6	124.7°	120.1°
C1	C8	H5	116.2°	120.0°
C8	C9	C10	124.6°	120.0°
C9	C8	H5	116.2°	120.0°
C8	C9	H6	117.7°	120.0°
C1	C6	C5	121.2°	119.8°
C1	C6	H4	119.4°	120.1°
O7	C4	C5	121.7°	119.9°
C4	O7	H10	109.5°	113.9°
C4	C5	C6	119.9°	120.2°
C4	C5	H3	120.0°	119.9°
C9	C10	O11	125.1°	120.0°
C10	C9	H6	117.7°	120.0°
C6	C5	H3	120.1°	119.9°
C5	C6	H4	119.4°	120.1°
H7	C13	H8	109.4°	109.4°
H7	C13	H9	109.5°	109.4°
H8	C13	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	O12	C10	C9	161.4°	180.0°
C13	O12	C10	O11	20.3°	0.0°
O12	C13	H7	H8	120.0°	120.0°
O12	C13	H7	H9	120.0°	120.0°
O12	C13	H8	H9	120.0°	120.1°
C3	C2	C1	H1	180.0°	180.0°
C2	C3	C4	H2	180.0°	179.9°
C3	C2	C1	C8	176.6°	179.7°
C3	C2	C1	C6	1.4°	0.0°
C2	C3	C4	O7	177.5°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C1	C2	C3	C4	1.0°	0.0°
C2	C1	C8	C6	177.8°	179.8°
C2	C1	C8	C9	178.3°	0.2°
C2	C1	C6	C5	1.4°	0.0°
C1	C2	C3	H2	179.0°	179.9°
C2	C1	C6	H4	178.6°	179.9°
C2	C1	C8	H5	1.7°	179.7°
C3	C4	O7	C5	178.1°	180.0°
C3	C4	C5	C6	0.6°	0.0°
C4	C3	C2	H1	179.0°	180.0°
C3	C4	C5	H3	179.4°	180.0°
C3	C4	O7	H10	180.0°	90.1°
O12	C10	C9	C8	1.7°	180.0°
O12	C10	C9	O11	178.2°	180.0°
O12	C10	C9	H6	178.3°	0.1°
C10	O12	C13	H7	180.0°	60.0°
C10	O12	C13	H8	60.0°	60.0°
C10	O12	C13	H9	60.0°	180.0°
C1	C8	C9	H5	180.0°	179.9°
C1	C8	C9	C10	177.6°	180.0°
C8	C1	C6	C5	176.4°	179.8°
C8	C1	C2	H1	3.4°	0.2°
C8	C1	C6	H4	3.6°	0.3°
C1	C8	C9	H6	2.4°	0.1°
C9	C8	C1	C6	0.5°	180.0°
C8	C9	C10	H6	180.0°	179.9°
C8	C9	C10	O11	176.5°	0.1°
C1	C6	C5	C4	1.1°	0.0°
C1	C6	C5	H4	180.0°	179.9°
C6	C1	C2	H1	178.6°	180.0°
C1	C6	C5	H3	179.0°	180.0°
C6	C1	C8	H5	179.6°	0.1°
O7	C4	C5	C6	177.4°	180.0°
O7	C4	C3	H2	2.5°	0.1°
O7	C4	C5	H3	2.6°	0.0°
C4	C5	C6	H3	180.0°	180.0°
C5	C4	C3	H2	179.4°	179.9°
C4	C5	C6	H4	178.9°	180.0°
C5	C4	O7	H10	2.0°	90.0°
C10	C9	C8	H5	2.4°	0.1°
O11	C10	C9	H6	3.5°	179.9°
H1	C2	C3	H2	1.0°	0.1°
H3	C5	C6	H4	1.1°	0.0°
H5	C8	C9	H6	177.6°	180.0°
H7	C13	H8	H9	120.0°	119.9°

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