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Summary Geometry Related PDB entries

ADZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N9	C8	sing	1.36Å	1.36Å	Aromatic
N9	C4	sing	1.37Å	1.33Å	Aromatic
N9	C1'	sing	1.46Å	1.51Å
C8	N7	doub	1.30Å	1.36Å	Aromatic
C8	H8	sing	1.08Å	1.06Å
N7	C5	sing	1.35Å	1.34Å	Aromatic
C5	C6	doub	1.40Å	1.45Å	Aromatic
C5	C4	sing	1.40Å	1.44Å	Aromatic
C6	N6	sing	1.38Å	1.35Å
C6	N1	sing	1.33Å	1.40Å	Aromatic
N6	H6N1	sing	0.97Å	0.99Å
N6	H6N2	sing	0.97Å	0.99Å
N1	C2	doub	1.32Å	1.38Å	Aromatic
C2	N3	sing	1.32Å	1.38Å	Aromatic
C2	H2	sing	1.08Å	1.06Å
N3	C4	doub	1.33Å	1.39Å	Aromatic
C1'	H1'1	sing	1.09Å	1.10Å
C1'	H1'2	sing	1.09Å	1.10Å
C1'	H1'3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N9	C4	108.3°	107.4°
C8	N9	C1'	127.6°	126.3°
N9	C8	N7	109.4°	110.0°
N9	C8	H8	125.3°	125.0°
C4	N9	C1'	124.1°	126.3°
N9	C4	C5	107.3°	106.0°
N9	C4	N3	132.9°	134.9°
N9	C1'	H1'1	109.5°	109.5°
N9	C1'	H1'2	109.5°	109.4°
N9	C1'	H1'3	109.5°	109.5°
N7	C8	H8	125.3°	125.0°
C8	N7	C5	108.2°	109.4°
N7	C5	C6	137.1°	134.6°
N7	C5	C4	106.8°	107.2°
C6	C5	C4	116.1°	118.2°
C5	C6	N6	120.5°	120.8°
C5	C6	N1	120.4°	118.4°
C5	C4	N3	119.9°	119.1°
N6	C6	N1	119.0°	120.7°
C6	N6	H6N1	120.0°	120.1°
C6	N6	H6N2	120.0°	120.0°
C6	N1	C2	122.2°	121.2°
H6N1	N6	H6N2	120.0°	120.0°
N1	C2	N3	118.3°	122.5°
N1	C2	H2	120.8°	118.8°
N3	C2	H2	120.9°	118.8°
C2	N3	C4	123.1°	120.6°
H1'1	C1'	H1'2	109.5°	109.4°
H1'1	C1'	H1'3	109.5°	109.5°
H1'2	C1'	H1'3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	N9	C4	C1'	179.6°	179.8°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.1°	0.0°
C8	N9	C4	C5	0.3°	0.3°
C8	N9	C4	N3	179.6°	179.6°
C8	N9	C1'	H1'1	31.1°	90.0°
C8	N9	C1'	H1'2	151.1°	150.0°
C8	N9	C1'	H1'3	88.9°	30.0°
C4	N9	C8	N7	0.2°	0.2°
C4	N9	C8	H8	179.8°	179.8°
N9	C4	C5	N7	0.3°	0.3°
N9	C4	C5	C6	179.8°	179.9°
N9	C4	C5	N3	179.4°	179.5°
N9	C4	N3	C2	179.9°	179.7°
C4	N9	C1'	H1'1	149.3°	90.2°
C4	N9	C1'	H1'2	29.3°	29.7°
C4	N9	C1'	H1'3	90.7°	149.8°
C1'	N9	C8	N7	179.8°	180.0°
C1'	N9	C8	H8	0.2°	0.0°
C1'	N9	C4	C5	180.0°	179.9°
C1'	N9	C4	N3	0.7°	0.5°
N9	C1'	H1'1	H1'2	120.0°	119.9°
N9	C1'	H1'1	H1'3	120.0°	120.0°
N9	C1'	H1'2	H1'3	120.0°	120.1°
C8	N7	C5	C6	179.5°	180.0°
C8	N7	C5	C4	0.2°	0.2°
H8	C8	N7	C5	180.0°	180.0°
N7	C5	C6	C4	179.2°	179.8°
N7	C5	C6	N6	0.5°	0.0°
N7	C5	C6	N1	179.9°	180.0°
N7	C5	C4	N3	179.7°	179.8°
C5	C6	N6	N1	179.7°	180.0°
C5	C6	N6	H6N1	0.0°	180.0°
C5	C6	N6	H6N2	180.0°	0.0°
C5	C6	N1	C2	0.4°	0.0°
C6	C5	C4	N3	0.8°	0.4°
C4	C5	C6	N6	179.7°	179.8°
C4	C5	C6	N1	0.6°	0.2°
C5	C4	N3	C2	0.7°	0.4°
C6	N6	H6N1	H6N2	180.0°	180.0°
N6	C6	N1	C2	180.0°	180.0°
N1	C6	N6	H6N1	179.7°	0.0°
N1	C6	N6	H6N2	0.3°	180.0°
C6	N1	C2	N3	0.2°	0.0°
C6	N1	C2	H2	179.8°	179.9°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.4°	0.2°
H2	C2	N3	C4	179.6°	179.9°
H1'1	C1'	H1'2	H1'3	120.0°	120.0°

246704

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