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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C7	sing	1.36Å	1.34Å	Aromatic
N2	C6	sing	1.35Å	1.37Å	Aromatic
C7	N3	doub	1.30Å	1.31Å	Aromatic
C6	C5	doub	1.36Å	1.36Å	Aromatic
N3	C5	sing	1.36Å	1.39Å	Aromatic
C5	C4	sing	1.47Å	1.47Å
C4	O1	doub	1.22Å	1.23Å
C4	N1	sing	1.35Å	1.33Å
C3	C2	sing	1.53Å	1.51Å
C2	N1	sing	1.46Å	1.46Å
C2	C1	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
N1	H8	sing	0.97Å	1.00Å
C6	H9	sing	1.08Å	1.08Å
N2	H10	sing	0.97Å	1.00Å
C7	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	N2	C6	107.3°	107.8°
N2	C7	N3	111.8°	109.0°
C7	N2	H10	126.4°	126.1°
N2	C7	H11	124.1°	125.5°
N2	C6	C5	106.7°	106.9°
N2	C6	H9	126.6°	126.6°
C6	N2	H10	126.3°	126.1°
C7	N3	C5	105.8°	108.9°
N3	C7	H11	124.1°	125.5°
C6	C5	N3	108.4°	107.5°
C6	C5	C4	129.6°	126.3°
C5	C6	H9	126.7°	126.5°
N3	C5	C4	122.0°	126.3°
C5	C4	O1	121.1°	120.0°
C5	C4	N1	117.4°	120.0°
O1	C4	N1	121.5°	120.0°
C4	N1	C2	125.1°	120.0°
C4	N1	H8	117.5°	120.0°
C3	C2	N1	108.8°	109.5°
C3	C2	C1	111.2°	109.5°
C3	C2	H4	108.7°	109.5°
C2	C3	H5	109.5°	109.5°
C2	C3	H6	109.5°	109.5°
C2	C3	H7	109.4°	109.5°
N1	C2	C1	110.1°	109.5°
N1	C2	H4	109.4°	109.4°
C2	N1	H8	117.5°	119.9°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	108.7°	109.4°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H5	C3	H6	109.5°	109.4°
H5	C3	H7	109.5°	109.4°
H6	C3	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	N2	C6	H10	180.0°	179.8°
N2	C7	N3	H11	180.0°	179.8°
C7	N2	C6	C5	0.3°	0.0°
N2	C7	N3	C5	0.8°	0.4°
C7	N2	C6	H9	179.8°	180.0°
C6	N2	C7	N3	0.4°	0.2°
N2	C6	C5	H9	180.0°	180.0°
N2	C6	C5	N3	0.7°	0.2°
N2	C6	C5	C4	179.2°	179.9°
C6	N2	C7	H11	179.6°	180.0°
C7	N3	C5	C6	1.0°	0.4°
C7	N3	C5	C4	179.5°	179.9°
N3	C7	N2	H10	179.6°	180.0°
C6	C5	N3	C4	178.6°	179.7°
C6	C5	C4	O1	4.6°	0.0°
C6	C5	C4	N1	172.4°	180.0°
C5	C6	N2	H10	179.7°	179.8°
N3	C5	C4	O1	177.1°	179.7°
N3	C5	C4	N1	5.8°	0.3°
N3	C5	C6	H9	179.3°	179.8°
C5	N3	C7	H11	179.2°	179.9°
C5	C4	O1	N1	176.9°	180.0°
C5	C4	N1	C2	119.2°	180.0°
C5	C4	N1	H8	60.8°	0.0°
C4	C5	C6	H9	0.8°	0.0°
O1	C4	N1	C2	63.7°	0.0°
O1	C4	N1	H8	116.3°	180.0°
C4	N1	C2	C3	122.5°	84.9°
C4	N1	C2	H8	180.0°	180.0°
C4	N1	C2	C1	115.4°	155.0°
C4	N1	C2	H4	3.9°	35.1°
C3	C2	N1	C1	122.1°	120.1°
C3	C2	N1	H4	118.6°	120.0°
C3	C2	C1	H4	119.6°	120.0°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H2	60.0°	59.9°
C3	C2	C1	H3	60.0°	179.9°
C2	C3	H5	H6	120.0°	120.0°
C2	C3	H5	H7	120.0°	120.0°
C2	C3	H6	H7	120.0°	120.1°
C3	C2	N1	H8	57.5°	95.0°
N1	C2	C1	H4	119.7°	119.9°
N1	C2	C1	H1	59.4°	60.1°
N1	C2	C1	H2	60.7°	180.0°
N1	C2	C1	H3	179.4°	60.0°
N1	C2	C3	H5	180.0°	60.0°
N1	C2	C3	H6	60.0°	59.9°
N1	C2	C3	H7	60.0°	180.0°
C2	C1	H1	H2	120.0°	119.9°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.1°
C1	C2	C3	H5	58.6°	60.0°
C1	C2	C3	H6	61.4°	180.0°
C1	C2	C3	H7	178.6°	59.9°
C1	C2	N1	H8	64.6°	25.0°
H1	C1	H2	H3	120.0°	120.1°
H1	C1	C2	H4	60.4°	180.0°
H2	C1	C2	H4	179.6°	60.1°
H3	C1	C2	H4	59.6°	60.0°
H4	C2	C3	H5	61.0°	180.0°
H4	C2	C3	H6	179.0°	60.0°
H4	C2	C3	H7	59.0°	60.1°
H4	C2	N1	H8	176.1°	145.0°
H5	C3	H6	H7	120.0°	120.0°
H9	C6	N2	H10	0.3°	0.2°
H10	N2	C7	H11	0.4°	0.2°

250059

PDB entries from 2026-03-04

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