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Summary Geometry Related PDB entries

Q9T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F11	C9	sing	1.40Å	1.37Å
N13	O14	sing	1.21Å	1.32Å	Aromatic
N13	C8	doub	1.30Å	1.32Å	Aromatic
C9	F10	sing	1.40Å	1.33Å
C9	C8	sing	1.51Å	1.53Å
C9	F12	sing	1.40Å	1.32Å
O14	C6	sing	1.35Å	1.38Å	Aromatic
C8	C7	sing	1.41Å	1.34Å	Aromatic
C6	C7	doub	1.37Å	1.34Å	Aromatic
C6	C5	sing	1.48Å	1.36Å
C4	C5	doub	1.40Å	1.41Å	Aromatic
C4	C2	sing	1.38Å	1.39Å	Aromatic
BR3	C2	sing	1.89Å	1.85Å
C5	C15	sing	1.40Å	1.42Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C15	O16	sing	1.36Å	1.35Å
C15	C17	doub	1.39Å	1.40Å	Aromatic
C1	C17	sing	1.38Å	1.39Å	Aromatic
C17	BR8	sing	1.89Å	1.91Å
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.08Å	1.08Å
O16	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F11	C9	F10	109.0°	109.5°
F11	C9	C8	108.0°	109.5°
F11	C9	F12	110.1°	109.4°
O14	N13	C8	106.4°	112.0°
N13	O14	C6	109.0°	111.4°
N13	C8	C9	121.5°	126.7°
N13	C8	C7	111.4°	106.6°
F10	C9	C8	110.4°	109.5°
F10	C9	F12	109.9°	109.5°
C8	C9	F12	109.5°	109.5°
C9	C8	C7	127.1°	126.7°
O14	C6	C7	107.0°	106.1°
O14	C6	C5	121.4°	127.0°
C8	C7	C6	106.1°	103.9°
C8	C7	H2	127.0°	128.0°
C7	C6	C5	131.6°	126.9°
C6	C7	H2	127.0°	128.1°
C6	C5	C4	116.8°	120.1°
C6	C5	C15	126.7°	120.2°
C5	C4	C2	121.6°	119.9°
C4	C5	C15	116.4°	119.7°
C5	C4	H1	119.2°	120.1°
C4	C2	BR3	121.1°	119.8°
C4	C2	C1	120.3°	120.3°
C2	C4	H1	119.2°	120.0°
BR3	C2	C1	118.6°	119.9°
C5	C15	O16	120.9°	120.1°
C5	C15	C17	122.4°	119.8°
C2	C1	C17	120.4°	120.3°
C2	C1	H3	119.8°	119.9°
O16	C15	C17	116.7°	120.1°
C15	O16	H4	109.5°	113.9°
C15	C17	C1	118.9°	120.0°
C15	C17	BR8	123.3°	120.0°
C1	C17	BR8	117.8°	120.0°
C17	C1	H3	119.8°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F11	C9	C8	N13	30.5°	150.0°
F11	C9	F10	C8	118.5°	120.0°
F11	C9	F10	F12	120.7°	120.0°
F11	C9	C8	F12	119.8°	120.0°
F11	C9	C8	C7	149.0°	30.1°
O14	N13	C8	C9	179.5°	179.7°
O14	N13	C8	C7	0.1°	0.2°
N13	O14	C6	C7	1.2°	0.4°
N13	O14	C6	C5	179.0°	179.8°
N13	C8	C9	F10	88.5°	90.0°
N13	C8	C9	C7	179.5°	179.9°
N13	C8	C9	F12	150.4°	30.1°
C8	N13	O14	C6	0.8°	0.3°
N13	C8	C7	C6	0.7°	0.1°
N13	C8	C7	H2	179.4°	180.0°
F10	C9	C8	F12	121.1°	120.0°
F10	C9	C8	C7	91.9°	89.9°
C9	C8	C7	C6	179.7°	180.0°
C9	C8	C7	H2	0.2°	0.1°
F12	C9	C8	C7	29.2°	150.1°
O14	C6	C7	C8	1.1°	0.2°
O14	C6	C7	C5	177.4°	179.8°
O14	C6	C5	C4	11.7°	129.7°
O14	C6	C5	C15	165.5°	50.2°
O14	C6	C7	H2	178.9°	179.9°
C8	C7	C6	H2	180.0°	179.9°
C8	C7	C6	C5	178.6°	180.0°
C7	C6	C5	C4	171.2°	50.0°
C7	C6	C5	C15	11.7°	130.0°
C6	C5	C4	C15	177.4°	179.9°
C6	C5	C4	C2	178.5°	179.9°
C6	C5	C15	O16	2.6°	0.1°
C6	C5	C15	C17	178.6°	179.9°
C6	C5	C4	H1	1.6°	0.2°
C5	C6	C7	H2	1.5°	0.1°
C5	C4	C2	H1	180.0°	179.8°
C5	C4	C2	BR3	179.2°	180.0°
C5	C4	C2	C1	0.2°	0.0°
C4	C5	C15	O16	179.8°	180.0°
C4	C5	C15	C17	1.4°	0.0°
C4	C2	BR3	C1	179.4°	179.9°
C2	C4	C5	C15	1.0°	0.0°
C4	C2	C1	C17	0.3°	0.1°
C4	C2	C1	H3	179.7°	180.0°
BR3	C2	C1	C17	179.7°	180.0°
BR3	C2	C4	H1	0.7°	0.3°
BR3	C2	C1	H3	0.3°	0.1°
C5	C15	O16	C17	178.9°	180.0°
C5	C15	C17	C1	1.0°	0.1°
C5	C15	C17	BR8	179.8°	180.0°
C15	C5	C4	H1	179.0°	179.8°
C5	C15	O16	H4	180.0°	90.0°
C2	C1	C17	C15	0.1°	0.1°
C2	C1	C17	H3	180.0°	179.9°
C2	C1	C17	BR8	179.3°	180.0°
C1	C2	C4	H1	179.8°	179.8°
O16	C15	C17	C1	179.8°	179.9°
O16	C15	C17	BR8	1.0°	0.0°
C15	C17	C1	BR8	179.3°	179.9°
C15	C17	C1	H3	179.9°	180.0°
C17	C15	O16	H4	1.1°	89.9°
BR8	C17	C1	H3	0.7°	0.1°

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PDB entries from 2026-01-14

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