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Summary Geometry Related PDB entries

3TR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	sing	1.40Å	1.33Å	Aromatic
N1	C5	sing	1.34Å	1.38Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
N2	C3	doub	1.31Å	1.29Å	Aromatic
C3	N4	sing	1.34Å	1.32Å	Aromatic
C3	N3A	sing	1.40Å	1.39Å
N4	C5	doub	1.31Å	1.32Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
N3A	H3A1	sing	0.97Å	1.02Å
N3A	H3A2	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	C5	106.5°	106.5°
N2	N1	HN1	125.5°	126.8°
N1	N2	C3	103.4°	106.8°
C5	N1	HN1	128.0°	126.7°
N1	C5	N4	111.5°	108.2°
N1	C5	H5	126.1°	125.9°
N2	C3	N4	118.2°	108.8°
N2	C3	N3A	124.2°	125.6°
N4	C3	N3A	117.6°	125.6°
C3	N4	C5	100.4°	109.8°
C3	N3A	H3A1	124.2°	120.0°
C3	N3A	H3A2	107.0°	120.1°
N4	C5	H5	122.4°	125.9°
H3A1	N3A	H3A2	107.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N1	C5	HN1	180.0°	180.0°
N1	N2	C3	N4	0.6°	0.3°
N1	N2	C3	N3A	179.9°	180.0°
N2	N1	C5	N4	0.1°	0.2°
N2	N1	C5	H5	179.9°	180.0°
C5	N1	N2	C3	0.3°	0.0°
N1	C5	N4	C3	0.3°	0.4°
N1	C5	N4	H5	180.0°	179.7°
HN1	N1	N2	C3	179.7°	180.0°
HN1	N1	C5	N4	179.9°	179.7°
HN1	N1	C5	H5	0.1°	0.0°
N2	C3	N4	N3A	179.6°	179.7°
N2	C3	N4	C5	0.6°	0.4°
N2	C3	N3A	H3A1	180.0°	0.1°
N2	C3	N3A	H3A2	54.7°	179.7°
C3	N4	C5	H5	179.7°	179.8°
N4	C3	N3A	H3A1	0.4°	179.7°
N4	C3	N3A	H3A2	124.9°	0.7°
N3A	C3	N4	C5	179.8°	179.9°
C3	N3A	H3A1	H3A2	125.3°	179.6°

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