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Summary Geometry Related PDB entries

A1DN7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
N3	C2	doub	1.30Å	1.30Å	Aromatic
N3	O1	sing	1.21Å	1.42Å	Aromatic
C2	C3	sing	1.41Å	1.44Å	Aromatic
O1	C4	sing	1.34Å	1.36Å	Aromatic
C3	C4	doub	1.36Å	1.35Å	Aromatic
C4	C5	sing	1.51Å	1.49Å
N2	C8	doub	1.31Å	1.33Å	Aromatic
N2	N1	sing	1.40Å	1.37Å	Aromatic
C8	C7	sing	1.40Å	1.36Å	Aromatic
N1	C5	sing	1.47Å	1.46Å
N1	C6	sing	1.35Å	1.33Å	Aromatic
C7	BR1	sing	1.89Å	1.85Å
C7	C6	doub	1.35Å	1.37Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N3	119.5°	126.8°
C1	C2	C3	129.0°	126.8°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.5°	109.5°
C2	N3	O1	105.2°	111.5°
N3	C2	C3	111.5°	106.4°
N3	O1	C4	109.5°	111.6°
C2	C3	C4	105.1°	104.0°
C2	C3	H4	127.4°	128.1°
O1	C4	C3	108.7°	106.5°
O1	C4	C5	115.4°	126.8°
C3	C4	C5	135.8°	126.8°
C4	C3	H4	127.4°	128.0°
C4	C5	N1	109.4°	109.5°
C4	C5	H5	109.5°	109.5°
C4	C5	H6	109.5°	109.5°
C8	N2	N1	107.4°	108.2°
N2	C8	C7	108.0°	108.2°
N2	C8	H8	126.0°	125.9°
N2	N1	C5	120.9°	126.0°
N2	N1	C6	109.7°	107.9°
C8	C7	BR1	126.6°	126.1°
C8	C7	C6	108.6°	107.9°
C7	C8	H8	126.0°	125.8°
C5	N1	C6	129.2°	126.1°
N1	C5	H5	109.5°	109.4°
N1	C5	H6	109.5°	109.5°
N1	C6	C7	106.2°	107.8°
N1	C6	H7	126.9°	126.1°
BR1	C7	C6	124.8°	126.0°
C7	C6	H7	126.9°	126.2°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H5	C5	H6	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N3	C3	179.5°	179.8°
C1	C2	N3	O1	179.9°	179.8°
C1	C2	C3	C4	179.5°	180.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.1°
C2	C1	H2	H3	120.0°	120.1°
C1	C2	C3	H4	0.4°	0.0°
C2	N3	O1	C4	0.5°	0.5°
N3	C2	C3	C4	0.1°	0.2°
N3	C2	C1	H1	0.0°	90.3°
N3	C2	C1	H2	120.0°	29.7°
N3	C2	C1	H3	120.0°	149.7°
N3	C2	C3	H4	179.9°	179.8°
O1	N3	C2	C3	0.4°	0.4°
N3	O1	C4	C3	0.5°	0.3°
N3	O1	C4	C5	178.6°	179.7°
C2	C3	C4	O1	0.3°	0.0°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	177.8°	180.0°
C3	C2	C1	H1	179.5°	90.0°
C3	C2	C1	H2	59.4°	150.0°
C3	C2	C1	H3	60.6°	30.0°
O1	C4	C3	C5	177.5°	180.0°
O1	C4	C5	N1	30.1°	90.0°
O1	C4	C3	H4	179.8°	180.0°
O1	C4	C5	H5	150.1°	30.0°
O1	C4	C5	H6	90.0°	150.0°
C3	C4	C5	N1	147.4°	90.1°
C3	C4	C5	H5	27.4°	150.0°
C3	C4	C5	H6	92.6°	30.0°
C4	C5	N1	N2	51.8°	55.3°
C4	C5	N1	H5	120.0°	120.0°
C4	C5	N1	H6	120.0°	120.1°
C4	C5	N1	C6	122.3°	125.0°
C5	C4	C3	H4	2.2°	0.0°
C4	C5	H5	H6	120.0°	120.0°
N2	C8	C7	H8	180.0°	179.7°
C8	N2	N1	C5	177.9°	179.8°
C8	N2	N1	C6	2.8°	0.4°
N2	C8	C7	BR1	179.2°	179.7°
N2	C8	C7	C6	1.4°	0.3°
N1	N2	C8	C7	2.5°	0.4°
N2	N1	C5	C6	174.1°	179.7°
N2	N1	C6	C7	1.9°	0.3°
N2	N1	C5	H5	171.8°	175.3°
N2	N1	C5	H6	68.2°	64.7°
N2	N1	C6	H7	178.1°	179.8°
N1	N2	C8	H8	177.5°	179.9°
C8	C7	C6	N1	0.4°	0.0°
C8	C7	BR1	C6	179.4°	179.9°
C8	C7	C6	H7	179.7°	179.9°
C5	N1	C6	C7	176.5°	180.0°
N1	C5	H5	H6	120.0°	120.0°
C5	N1	C6	H7	3.5°	0.1°
N1	C6	C7	BR1	179.1°	180.0°
N1	C6	C7	H7	180.0°	179.9°
C6	N1	C5	H5	2.2°	5.0°
C6	N1	C5	H6	117.7°	115.0°
BR1	C7	C6	H7	0.9°	0.1°
BR1	C7	C8	H8	0.8°	0.0°
C6	C7	C8	H8	178.6°	180.0°
H1	C1	H2	H3	120.0°	120.0°

258009

PDB entries from 2026-08-12

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