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Summary Geometry Related PDB entries

8U4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C8	sing	1.74Å	1.74Å
C8	C9	doub	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.38Å	1.37Å	Aromatic
C9	C4	sing	1.38Å	1.38Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.51Å	1.51Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C3	N1	sing	1.46Å	1.45Å
N1	C2	sing	1.35Å	1.33Å
C2	C1	sing	1.51Å	1.50Å
C2	O1	doub	1.21Å	1.23Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C8	C9	117.7°	120.0°
CL1	C8	C7	121.0°	120.0°
C9	C8	C7	121.3°	120.0°
C8	C9	C4	119.2°	120.0°
C8	C9	H10	120.4°	120.0°
C8	C7	C6	119.7°	120.0°
C8	C7	H4	120.2°	120.1°
C9	C4	C3	119.3°	120.0°
C9	C4	C5	119.7°	120.0°
C4	C9	H10	120.4°	120.0°
C7	C6	C5	119.7°	120.0°
C7	C6	H3	120.1°	120.0°
C6	C7	H4	120.1°	120.0°
C3	C4	C5	121.0°	120.0°
C4	C3	N1	108.1°	109.5°
C4	C3	H8	109.8°	109.5°
C4	C3	H9	109.8°	109.4°
C4	C5	C6	120.4°	120.0°
C4	C5	H2	119.8°	120.0°
C6	C5	H2	119.8°	120.0°
C5	C6	H3	120.2°	120.0°
C3	N1	C2	120.1°	120.0°
C3	N1	H1	119.9°	120.0°
N1	C3	H8	109.8°	109.5°
N1	C3	H9	109.8°	109.5°
N1	C2	C1	119.4°	120.0°
N1	C2	O1	119.5°	120.0°
C2	N1	H1	119.9°	120.0°
C1	C2	O1	121.1°	120.0°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.4°	109.4°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.5°	109.5°
H6	C1	H7	109.5°	109.5°
H8	C3	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C8	C9	C7	179.6°	179.6°
CL1	C8	C9	C4	179.3°	180.0°
CL1	C8	C7	C6	179.4°	179.8°
CL1	C8	C7	H4	0.5°	0.1°
CL1	C8	C9	H10	0.7°	0.5°
C8	C9	C4	H10	180.0°	179.5°
C9	C8	C7	C6	0.1°	0.2°
C8	C9	C4	C3	179.7°	179.8°
C8	C9	C4	C5	0.1°	0.5°
C9	C8	C7	H4	179.9°	179.7°
C7	C8	C9	C4	0.3°	0.4°
C8	C7	C6	H4	180.0°	179.9°
C8	C7	C6	C5	0.2°	0.0°
C8	C7	C6	H3	179.8°	180.0°
C7	C8	C9	H10	179.7°	179.9°
C9	C4	C3	C5	179.8°	179.7°
C9	C4	C5	C6	0.2°	0.3°
C9	C4	C3	N1	130.3°	89.7°
C9	C4	C5	H2	179.8°	179.8°
C9	C4	C3	H8	109.9°	150.2°
C9	C4	C3	H9	10.5°	30.3°
C7	C6	C5	C4	0.4°	0.1°
C7	C6	C5	H3	180.0°	179.9°
C7	C6	C5	H2	179.6°	180.0°
C3	C4	C5	C6	180.0°	180.0°
C4	C3	N1	H8	119.8°	120.0°
C4	C3	N1	H9	119.8°	120.0°
C4	C3	N1	C2	159.8°	180.0°
C4	C3	N1	H1	20.2°	0.3°
C3	C4	C5	H2	0.0°	0.1°
C4	C3	H8	H9	120.6°	119.9°
C3	C4	C9	H10	0.3°	0.3°
C4	C5	C6	H2	180.0°	179.9°
C5	C4	C3	N1	49.5°	90.0°
C4	C5	C6	H3	179.6°	180.0°
C5	C4	C3	H8	70.3°	30.1°
C5	C4	C3	H9	169.3°	150.0°
C5	C4	C9	H10	179.9°	180.0°
C5	C6	C7	H4	179.8°	179.9°
C3	N1	C2	H1	180.0°	179.7°
C3	N1	C2	C1	178.1°	179.7°
C3	N1	C2	O1	2.6°	0.3°
N1	C3	H8	H9	120.6°	120.0°
N1	C2	C1	O1	179.3°	180.0°
N1	C2	C1	H5	179.3°	90.0°
N1	C2	C1	H6	60.7°	150.0°
N1	C2	C1	H7	59.3°	30.0°
C2	N1	C3	H8	40.0°	60.0°
C2	N1	C3	H9	80.4°	60.0°
C1	C2	N1	H1	1.9°	0.0°
C2	C1	H5	H6	120.0°	120.0°
C2	C1	H5	H7	120.0°	119.9°
C2	C1	H6	H7	120.0°	119.9°
O1	C2	N1	H1	177.4°	180.0°
O1	C2	C1	H5	0.0°	90.0°
O1	C2	C1	H6	120.0°	30.0°
O1	C2	C1	H7	120.0°	150.0°
H1	N1	C3	H8	140.0°	120.3°
H1	N1	C3	H9	99.6°	119.7°
H2	C5	C6	H3	0.4°	0.1°
H3	C6	C7	H4	0.2°	0.1°
H5	C1	H6	H7	120.0°	120.0°

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PDB entries from 2024-07-31

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