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Summary Geometry Related PDB entries

A1ED4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.42Å
C1	C2	sing	1.51Å	1.51Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C2	C8	sing	1.39Å	1.40Å	Aromatic
N2	C4	sing	1.38Å	1.38Å	Aromatic
N2	C6	sing	1.36Å	1.34Å	Aromatic
C4	C5	doub	1.40Å	1.40Å	Aromatic
C8	C7	doub	1.37Å	1.37Å	Aromatic
C6	N1	doub	1.30Å	1.32Å	Aromatic
C5	C7	sing	1.40Å	1.39Å	Aromatic
C5	N1	sing	1.36Å	1.39Å	Aromatic
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.08Å	1.08Å
N2	H8	sing	0.97Å	1.00Å
O1	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	112.0°	109.5°
O1	C1	H5	108.8°	109.5°
O1	C1	H6	108.8°	109.5°
C1	O1	H9	109.5°	114.1°
C1	C2	C3	120.4°	119.8°
C1	C2	C8	119.8°	119.7°
C2	C1	H5	108.8°	109.4°
C2	C1	H6	108.8°	109.5°
C2	C3	C4	118.2°	119.6°
C3	C2	C8	119.8°	120.5°
C2	C3	H7	120.9°	120.2°
C3	C4	N2	132.6°	134.1°
C3	C4	C5	121.6°	119.9°
C4	C3	H7	120.9°	120.2°
C2	C8	C7	122.3°	120.7°
C2	C8	H4	118.8°	119.7°
C4	N2	C6	106.8°	107.3°
N2	C4	C5	105.8°	106.0°
C4	N2	H8	126.6°	126.4°
N2	C6	N1	113.7°	110.1°
N2	C6	H2	123.1°	125.0°
C6	N2	H8	126.6°	126.3°
C4	C5	C7	120.0°	119.4°
C4	C5	N1	109.0°	107.0°
C8	C7	C5	118.1°	119.9°
C8	C7	H3	121.0°	120.1°
C7	C8	H4	118.8°	119.6°
C6	N1	C5	104.7°	109.6°
N1	C6	H2	123.2°	124.9°
C7	C5	N1	130.9°	133.6°
C5	C7	H3	121.0°	120.0°
H5	C1	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H5	120.4°	120.0°
O1	C1	C2	H6	120.4°	120.0°
O1	C1	C2	C3	99.3°	89.9°
O1	C1	C2	C8	80.6°	90.0°
O1	C1	H5	H6	118.8°	120.0°
C1	C2	C3	C8	179.9°	179.9°
C1	C2	C3	C4	179.7°	180.0°
C1	C2	C8	C7	179.8°	180.0°
C1	C2	C8	H4	0.3°	0.0°
C2	C1	H5	H6	118.8°	120.0°
C1	C2	C3	H7	0.3°	0.0°
C2	C1	O1	H9	180.0°	180.0°
C2	C3	C4	H7	180.0°	180.0°
C2	C3	C4	N2	180.0°	180.0°
C2	C3	C4	C5	0.4°	0.0°
C3	C2	C8	C7	0.2°	0.0°
C3	C2	C8	H4	179.8°	180.0°
C3	C2	C1	H5	140.3°	30.1°
C3	C2	C1	H6	21.1°	150.1°
C4	C3	C2	C8	0.4°	0.1°
C3	C4	N2	C5	179.7°	180.0°
C3	C4	N2	C6	179.6°	180.0°
C3	C4	C5	C7	0.2°	0.0°
C3	C4	C5	N1	179.7°	180.0°
C3	C4	N2	H8	0.4°	0.1°
C2	C8	C7	H4	180.0°	180.0°
C2	C8	C7	C5	0.7°	0.1°
C2	C8	C7	H3	179.3°	179.9°
C8	C2	C1	H5	39.7°	150.0°
C8	C2	C1	H6	159.0°	30.0°
C8	C2	C3	H7	179.6°	180.0°
C4	N2	C6	H8	180.0°	179.9°
C4	N2	C6	N1	0.1°	0.0°
N2	C4	C5	C7	179.6°	179.9°
N2	C4	C5	N1	0.0°	0.0°
C4	N2	C6	H2	179.9°	180.0°
N2	C4	C3	H7	0.0°	0.0°
C6	N2	C4	C5	0.1°	0.0°
N2	C6	N1	H2	180.0°	180.0°
N2	C6	N1	C5	0.1°	0.0°
C4	C5	C7	C8	0.7°	0.1°
C4	C5	N1	C6	0.0°	0.0°
C4	C5	C7	N1	179.4°	179.9°
C4	C5	C7	H3	179.3°	180.0°
C5	C4	C3	H7	179.6°	180.0°
C5	C4	N2	H8	179.9°	179.9°
C8	C7	C5	H3	180.0°	179.9°
C8	C7	C5	N1	179.9°	180.0°
C6	N1	C5	C7	179.4°	179.9°
N1	C6	N2	H8	179.9°	179.9°
C5	C7	C8	H4	179.3°	180.0°
C5	N1	C6	H2	179.9°	180.0°
N1	C5	C7	H3	0.1°	0.1°
H2	C6	N2	H8	0.1°	0.1°
H3	C7	C8	H4	0.7°	0.1°
H5	C1	O1	H9	59.6°	60.0°
H6	C1	O1	H9	59.6°	60.0°

248335

PDB entries from 2026-01-28

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