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Summary Geometry Related PDB entries

HFC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	doub	1.36Å	1.34Å
C10	C2	sing	1.46Å	1.44Å
C9	C8	sing	1.41Å	1.45Å
C3	C2	doub	1.40Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.41Å	1.40Å	Aromatic
O13	C4	sing	1.36Å	1.36Å
C8	O11	doub	1.22Å	1.21Å
C8	O7	sing	1.34Å	1.38Å
C4	C5	doub	1.40Å	1.40Å	Aromatic
C1	O7	sing	1.35Å	1.39Å
C1	C6	doub	1.39Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C5	O12	sing	1.36Å	1.36Å
C3	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
O12	H5	sing	0.97Å	0.95Å
O13	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C2	120.9°	118.2°
C10	C9	C8	121.4°	119.8°
C10	C9	H3	119.3°	120.1°
C9	C10	H4	119.6°	120.9°
C10	C2	C3	124.1°	120.9°
C10	C2	C1	117.7°	118.9°
C2	C10	H4	119.6°	120.9°
C9	C8	O11	126.2°	119.1°
C9	C8	O7	117.2°	121.7°
C8	C9	H3	119.3°	120.1°
C2	C3	C4	120.5°	119.7°
C3	C2	C1	118.2°	120.1°
C2	C3	H1	119.8°	120.2°
C3	C4	O13	120.8°	119.9°
C3	C4	C5	120.1°	120.2°
C4	C3	H1	119.7°	120.1°
C2	C1	O7	120.9°	119.9°
C2	C1	C6	122.1°	119.5°
O13	C4	C5	119.2°	119.9°
C4	O13	H6	109.5°	114.0°
O11	C8	O7	116.5°	119.1°
C8	O7	C1	121.9°	121.5°
C4	C5	C6	120.2°	120.5°
C4	C5	O12	118.4°	119.8°
O7	C1	C6	117.0°	120.6°
C1	C6	C5	118.9°	120.0°
C1	C6	H2	120.6°	120.0°
C6	C5	O12	121.4°	119.7°
C5	C6	H2	120.5°	120.0°
C5	O12	H5	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C2	H4	180.0°	179.3°
C10	C9	C8	H3	180.0°	179.5°
C9	C10	C2	C3	178.8°	179.5°
C9	C10	C2	C1	0.9°	0.4°
C10	C9	C8	O11	178.7°	179.5°
C10	C9	C8	O7	0.4°	0.5°
C2	C10	C9	C8	0.3°	0.7°
C10	C2	C3	C1	179.7°	179.9°
C10	C2	C3	C4	179.6°	180.0°
C10	C2	C1	O7	0.7°	0.1°
C10	C2	C1	C6	179.5°	179.7°
C10	C2	C3	H1	0.5°	0.1°
C2	C10	C9	H3	179.7°	179.8°
C9	C8	O11	O7	179.1°	180.0°
C9	C8	O7	C1	0.6°	0.0°
C8	C9	C10	H4	179.7°	180.0°
C2	C3	C4	H1	180.0°	179.9°
C2	C3	C4	O13	179.8°	179.9°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	O7	178.9°	180.0°
C3	C2	C1	C6	0.8°	0.3°
C3	C2	C10	H4	1.2°	0.2°
C4	C3	C2	C1	0.8°	0.1°
C3	C4	O13	C5	179.7°	179.9°
C3	C4	C5	C6	0.7°	0.2°
C3	C4	C5	O12	178.4°	180.0°
C3	C4	O13	H6	180.0°	90.0°
C2	C1	O7	C8	0.0°	0.3°
C2	C1	O7	C6	179.8°	179.7°
C2	C1	C6	C5	0.1°	0.6°
C1	C2	C3	H1	179.2°	180.0°
C2	C1	C6	H2	179.9°	179.7°
C1	C2	C10	H4	179.1°	179.7°
O13	C4	C5	C6	179.0°	179.7°
O13	C4	C5	O12	1.9°	0.0°
O13	C4	C3	H1	0.2°	0.0°
O11	C8	O7	C1	178.7°	180.0°
O11	C8	C9	H3	1.3°	0.0°
C8	O7	C1	C6	179.8°	180.0°
O7	C8	C9	H3	179.6°	180.0°
C4	C5	C6	C1	0.7°	0.5°
C4	C5	C6	O12	179.0°	179.8°
C5	C4	C3	H1	179.9°	180.0°
C4	C5	C6	H2	179.3°	179.7°
C4	C5	O12	H5	180.0°	90.0°
C5	C4	O13	H6	0.3°	90.0°
O7	C1	C6	C5	179.7°	179.8°
O7	C1	C6	H2	0.3°	0.0°
C1	C6	C5	H2	180.0°	179.7°
C1	C6	C5	O12	178.4°	179.7°
C6	C5	O12	H5	0.9°	90.3°
O12	C5	C6	H2	1.6°	0.0°
H3	C9	C10	H4	0.3°	0.6°

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