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Summary Geometry Related PDB entries

A1EHC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.51Å	1.51Å
C2	C3	sing	1.40Å	1.39Å	Aromatic
C2	C8	doub	1.35Å	1.38Å	Aromatic
C3	C4	doub	1.36Å	1.37Å	Aromatic
C8	N2	sing	1.36Å	1.38Å	Aromatic
C4	C5	sing	1.41Å	1.41Å	Aromatic
N2	C5	sing	1.37Å	1.40Å	Aromatic
N2	C7	sing	1.37Å	1.38Å	Aromatic
C5	N1	doub	1.33Å	1.33Å	Aromatic
C7	C6	doub	1.35Å	1.36Å	Aromatic
N1	C6	sing	1.34Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
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
O1	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	111.7°	109.5°
O1	C1	H5	108.9°	109.5°
O1	C1	H6	108.9°	109.5°
C1	O1	H8	109.5°	114.0°
C1	C2	C3	120.3°	119.8°
C1	C2	C8	120.8°	119.9°
C2	C1	H5	108.9°	109.5°
C2	C1	H6	108.9°	109.5°
C3	C2	C8	119.0°	120.3°
C2	C3	C4	121.7°	119.7°
C2	C3	H7	119.2°	120.2°
C2	C8	N2	120.1°	120.6°
C2	C8	H4	120.0°	119.7°
C3	C4	C5	119.6°	119.3°
C3	C4	H1	120.2°	120.3°
C4	C3	H7	119.1°	120.1°
C8	N2	C5	121.4°	120.4°
C8	N2	C7	131.6°	132.6°
N2	C8	H4	119.9°	119.7°
C4	C5	N2	118.2°	119.7°
C4	C5	N1	131.4°	132.3°
C5	C4	H1	120.2°	120.4°
C5	N2	C7	107.0°	107.0°
N2	C5	N1	110.4°	108.1°
N2	C7	C6	105.5°	107.2°
N2	C7	H3	127.2°	126.4°
C5	N1	C6	105.3°	109.1°
C7	C6	N1	111.8°	108.7°
C7	C6	H2	124.1°	125.7°
C6	C7	H3	127.2°	126.4°
N1	C6	H2	124.1°	125.7°
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	120.3°	120.0°
O1	C1	C2	H6	120.3°	120.0°
O1	C1	C2	C3	133.0°	180.0°
O1	C1	C2	C8	47.3°	0.0°
O1	C1	H5	H6	119.0°	120.0°
C1	C2	C3	C8	179.7°	180.0°
C1	C2	C3	C4	179.9°	180.0°
C1	C2	C8	N2	179.9°	180.0°
C1	C2	C8	H4	0.1°	0.0°
C2	C1	H5	H6	119.0°	120.0°
C1	C2	C3	H7	0.1°	0.1°
C2	C1	O1	H8	180.0°	180.0°
C2	C3	C4	H7	180.0°	179.9°
C3	C2	C8	N2	0.4°	0.0°
C2	C3	C4	C5	0.4°	0.0°
C2	C3	C4	H1	179.6°	180.0°
C3	C2	C8	H4	179.5°	180.0°
C3	C2	C1	H5	106.6°	60.0°
C3	C2	C1	H6	12.7°	60.0°
C8	C2	C3	C4	0.5°	0.0°
C2	C8	N2	H4	180.0°	180.0°
C2	C8	N2	C5	0.3°	0.0°
C2	C8	N2	C7	179.8°	180.0°
C8	C2	C1	H5	73.0°	120.0°
C8	C2	C1	H6	167.7°	120.0°
C8	C2	C3	H7	179.5°	179.9°
C3	C4	C5	H1	180.0°	180.0°
C3	C4	C5	N2	0.3°	0.0°
C3	C4	C5	N1	179.7°	180.0°
C8	N2	C5	C4	0.3°	0.0°
C8	N2	C5	C7	179.6°	180.0°
C8	N2	C5	N1	179.7°	180.0°
C8	N2	C7	C6	179.8°	180.0°
C8	N2	C7	H3	0.2°	0.0°
C4	C5	N2	N1	180.0°	180.0°
C4	C5	N2	C7	179.9°	180.0°
C4	C5	N1	C6	179.9°	180.0°
C5	C4	C3	H7	179.6°	179.9°
C5	N2	C7	C6	0.3°	0.0°
N2	C5	N1	C6	0.1°	0.0°
N2	C5	C4	H1	179.7°	180.0°
C5	N2	C7	H3	179.7°	180.0°
C5	N2	C8	H4	179.6°	180.0°
C7	N2	C5	N1	0.1°	0.0°
N2	C7	C6	H3	180.0°	180.0°
N2	C7	C6	N1	0.4°	0.0°
N2	C7	C6	H2	179.6°	180.0°
C7	N2	C8	H4	0.2°	0.0°
C5	N1	C6	C7	0.4°	0.0°
N1	C5	C4	H1	0.3°	0.0°
C5	N1	C6	H2	179.6°	180.0°
C7	C6	N1	H2	180.0°	180.0°
N1	C6	C7	H3	179.6°	180.0°
H1	C4	C3	H7	0.4°	0.1°
H2	C6	C7	H3	0.4°	0.0°
H5	C1	O1	H8	59.6°	60.0°
H6	C1	O1	H8	59.7°	60.0°

248335

PDB entries from 2026-01-28

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