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Summary Geometry Related PDB entries

Q6X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.48Å
C1	N	sing	1.47Å	1.48Å
C2	C1	sing	1.51Å	1.51Å
O	C2	doub	1.21Å	1.21Å
O1	C2	sing	1.34Å	1.35Å
N	C3	sing	1.35Å	1.41Å
O2	C3	doub	1.22Å	1.22Å
C3	C4	sing	1.48Å	1.49Å
C4	C5	sing	1.40Å	1.41Å	Aromatic
C5	C6	doub	1.38Å	1.40Å	Aromatic
C6	C7	sing	1.39Å	1.42Å	Aromatic
C7	F	sing	1.35Å	1.34Å
C8	C7	doub	1.39Å	1.41Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C4	C9	doub	1.40Å	1.40Å	Aromatic
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
O1	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	118.3°	120.0°
C	N	C3	122.8°	120.0°
N	C	H1	109.5°	109.4°
N	C	H	109.5°	109.5°
N	C	H2	109.4°	109.5°
N	C1	C2	111.2°	109.4°
C1	N	C3	118.9°	120.0°
N	C1	H3	109.0°	109.5°
N	C1	H4	109.0°	109.5°
C1	C2	O	121.9°	120.0°
C1	C2	O1	121.5°	120.0°
C2	C1	H3	109.0°	109.6°
C2	C1	H4	109.0°	109.5°
O	C2	O1	116.6°	120.0°
C2	O1	H5	109.5°	117.0°
N	C3	O2	119.7°	119.9°
N	C3	C4	119.9°	120.0°
O2	C3	C4	120.4°	120.1°
C3	C4	C5	119.8°	120.1°
C3	C4	C9	118.7°	120.1°
C4	C5	C6	119.5°	119.9°
C5	C4	C9	121.2°	119.7°
C4	C5	H6	120.2°	120.1°
C5	C6	C7	118.6°	120.1°
C6	C5	H6	120.3°	120.1°
C5	C6	H7	120.7°	119.9°
C6	C7	F	119.1°	119.8°
C6	C7	C8	121.8°	120.2°
C7	C6	H7	120.7°	119.9°
F	C7	C8	119.0°	119.9°
C7	C8	C9	118.6°	120.2°
C7	C8	H8	120.7°	119.9°
C8	C9	C4	120.3°	119.9°
C9	C8	H8	120.7°	119.9°
C8	C9	H9	119.9°	120.1°
C4	C9	H9	119.8°	120.1°
H1	C	H	109.5°	109.4°
H1	C	H2	109.5°	109.5°
H	C	H2	109.5°	109.5°
H3	C1	H4	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	C3	179.8°	180.0°
C	N	C1	C2	96.2°	90.0°
C	N	C3	O2	168.9°	175.1°
C	N	C3	C4	12.7°	4.9°
N	C	H1	H	120.0°	120.0°
N	C	H1	H2	120.0°	120.0°
N	C	H	H2	120.0°	120.0°
C	N	C1	H3	24.1°	30.0°
C	N	C1	H4	143.6°	150.0°
N	C1	C2	H3	120.2°	120.0°
N	C1	C2	H4	120.3°	120.0°
N	C1	C2	O	171.1°	0.1°
N	C1	C2	O1	10.0°	180.0°
C1	N	C3	O2	11.4°	4.8°
C1	N	C3	C4	167.0°	175.1°
C1	N	C	H1	180.0°	94.2°
C1	N	C	H	60.0°	25.8°
C1	N	C	H2	60.0°	145.8°
N	C1	H3	H4	119.2°	120.0°
C1	C2	O	O1	179.0°	180.0°
C2	C1	N	C3	84.0°	90.0°
C2	C1	H3	H4	119.2°	120.0°
C1	C2	O1	H5	179.0°	179.9°
O	C2	C1	H3	68.7°	120.0°
O	C2	C1	H4	50.8°	120.0°
O	C2	O1	H5	0.0°	0.0°
O1	C2	C1	H3	110.3°	60.0°
O1	C2	C1	H4	130.2°	60.0°
N	C3	O2	C4	178.4°	180.0°
N	C3	C4	C5	63.2°	39.4°
N	C3	C4	C9	122.8°	140.9°
C3	N	C	H1	0.2°	85.8°
C3	N	C	H	119.8°	154.3°
C3	N	C	H2	120.2°	34.2°
C3	N	C1	H3	155.7°	149.9°
C3	N	C1	H4	36.2°	30.0°
O2	C3	C4	C5	115.2°	140.6°
O2	C3	C4	C9	58.8°	39.1°
C3	C4	C5	C9	173.8°	179.7°
C3	C4	C5	C6	172.7°	179.7°
C3	C4	C9	C8	172.4°	179.7°
C3	C4	C5	H6	7.3°	0.2°
C3	C4	C9	H9	7.7°	0.3°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	C7	0.6°	0.0°
C5	C4	C9	C8	1.5°	0.0°
C4	C5	C6	H7	179.4°	180.0°
C5	C4	C9	H9	178.5°	180.0°
C5	C6	C7	H7	180.0°	180.0°
C5	C6	C7	F	176.2°	180.0°
C5	C6	C7	C8	0.6°	0.0°
C6	C5	C4	C9	1.1°	0.0°
C6	C7	F	C8	176.9°	180.0°
C6	C7	C8	C9	1.0°	0.0°
C7	C6	C5	H6	179.4°	180.0°
C6	C7	C8	H8	179.0°	180.0°
F	C7	C8	C9	175.8°	180.0°
F	C7	C6	H7	3.8°	0.0°
F	C7	C8	H8	4.2°	0.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C4	1.4°	0.1°
C8	C7	C6	H7	179.4°	180.0°
C7	C8	C9	H9	178.6°	180.0°
C8	C9	C4	H9	180.0°	180.0°
C9	C4	C5	H6	178.9°	180.0°
C4	C9	C8	H8	178.6°	180.0°
H6	C5	C6	H7	0.6°	0.0°
H8	C8	C9	H9	1.4°	0.0°
H1	C	H	H2	120.0°	120.0°

222415

PDB entries from 2024-07-10

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