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Summary Geometry Related PDB entries

AQF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL02	C01	sing	1.80Å	1.79Å
C01	C03	sing	1.51Å	1.53Å
N05	C03	doub	1.30Å	1.33Å	Aromatic
N05	C07	sing	1.36Å	1.36Å	Aromatic
C03	N04	sing	1.36Å	1.32Å	Aromatic
C07	C09	doub	1.40Å	1.42Å	Aromatic
C07	C06	sing	1.40Å	1.37Å	Aromatic
N04	C06	sing	1.38Å	1.36Å	Aromatic
C09	C11	sing	1.37Å	1.40Å	Aromatic
C06	C08	doub	1.39Å	1.42Å	Aromatic
C11	C10	doub	1.39Å	1.40Å	Aromatic
C08	C10	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C08	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
N04	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL02	C01	C03	111.1°	109.5°
CL02	C01	H2	109.0°	109.5°
CL02	C01	H3	109.1°	109.5°
C01	C03	N05	125.3°	124.9°
C01	C03	N04	125.6°	124.9°
C03	C01	H2	109.1°	109.4°
C03	C01	H3	109.1°	109.5°
C03	N05	C07	109.0°	109.6°
N05	C03	N04	109.1°	110.1°
N05	C07	C09	133.3°	133.6°
N05	C07	C06	106.3°	106.9°
C03	N04	C06	108.4°	107.3°
C03	N04	H7	125.8°	126.3°
C09	C07	C06	120.4°	119.5°
C07	C09	C11	119.3°	119.9°
C07	C09	H5	120.3°	120.1°
C07	C06	N04	107.1°	106.0°
C07	C06	C08	120.0°	119.8°
N04	C06	C08	132.9°	134.1°
C06	N04	H7	125.8°	126.3°
C09	C11	C10	120.4°	120.7°
C11	C09	H5	120.3°	120.0°
C09	C11	H6	119.8°	119.7°
C06	C08	C10	119.9°	119.7°
C06	C08	H4	120.1°	120.2°
C11	C10	C08	120.1°	120.4°
C11	C10	H1	119.9°	119.8°
C10	C11	H6	119.8°	119.6°
C08	C10	H1	120.0°	119.7°
C10	C08	H4	120.1°	120.2°
H2	C01	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL02	C01	C03	H2	120.2°	120.0°
CL02	C01	C03	H3	120.3°	120.1°
CL02	C01	C03	N05	88.9°	90.0°
CL02	C01	C03	N04	90.5°	90.0°
CL02	C01	H2	H3	119.3°	120.1°
C01	C03	N05	N04	179.5°	180.0°
C01	C03	N05	C07	179.4°	180.0°
C01	C03	N04	C06	179.4°	180.0°
C03	C01	H2	H3	119.2°	120.0°
C01	C03	N04	H7	0.6°	0.0°
C03	N05	C07	C09	179.9°	179.7°
C03	N05	C07	C06	0.2°	0.0°
N05	C03	N04	C06	0.1°	0.0°
N05	C03	C01	H2	31.3°	29.9°
N05	C03	C01	H3	150.8°	149.9°
N05	C03	N04	H7	179.9°	180.0°
C07	N05	C03	N04	0.2°	0.0°
N05	C07	C09	C06	179.9°	179.6°
N05	C07	C06	N04	0.1°	0.0°
N05	C07	C09	C11	179.7°	180.0°
N05	C07	C06	C08	179.8°	179.9°
N05	C07	C09	H5	0.4°	0.4°
C03	N04	C06	C07	0.0°	0.0°
C03	N04	C06	H7	180.0°	180.0°
C03	N04	C06	C08	179.9°	179.9°
N04	C03	C01	H2	149.3°	150.0°
N04	C03	C01	H3	29.8°	30.1°
C09	C07	C06	N04	179.9°	179.7°
C07	C09	C11	H5	180.0°	179.7°
C09	C07	C06	C08	0.1°	0.3°
C07	C09	C11	C10	0.4°	0.1°
C07	C09	C11	H6	179.6°	179.9°
C07	C06	N04	C08	179.9°	179.9°
C06	C07	C09	C11	0.3°	0.3°
C07	C06	C08	C10	0.1°	0.0°
C07	C06	C08	H4	179.9°	180.0°
C06	C07	C09	H5	179.7°	180.0°
C07	C06	N04	H7	180.0°	180.0°
N04	C06	C08	C10	180.0°	180.0°
N04	C06	C08	H4	0.0°	0.0°
C09	C11	C10	H6	180.0°	180.0°
C09	C11	C10	C08	0.4°	0.2°
C09	C11	C10	H1	179.6°	180.0°
C06	C08	C10	C11	0.2°	0.2°
C06	C08	C10	H4	180.0°	180.0°
C06	C08	C10	H1	179.8°	180.0°
C08	C06	N04	H7	0.1°	0.1°
C11	C10	C08	H1	180.0°	179.7°
C11	C10	C08	H4	179.8°	179.8°
C10	C11	C09	H5	179.6°	179.7°
C08	C10	C11	H6	179.6°	179.8°
H1	C10	C08	H4	0.2°	0.0°
H1	C10	C11	H6	0.4°	0.0°
H5	C09	C11	H6	0.4°	0.3°

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PDB entries from 2026-02-11

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