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Summary Geometry Related PDB entries

NU1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	O5	sing	1.36Å	1.41Å
C5	C4A	sing	1.40Å	1.45Å	Aromatic
C5	C6	doub	1.38Å	1.41Å	Aromatic
O5	HO5	sing	0.97Å	0.95Å
C4A	N4	sing	1.36Å	1.37Å	Aromatic
C4A	C8A	doub	1.41Å	1.42Å	Aromatic
N4	C3	doub	1.30Å	1.28Å	Aromatic
C3	C9	sing	1.51Å	1.49Å
C3	N2	sing	1.36Å	1.34Å	Aromatic
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.12Å
N2	C1	sing	1.35Å	1.34Å	Aromatic
N2	HN2	sing	0.97Å	1.02Å
C1	O1	doub	1.22Å	1.23Å
C1	C8A	sing	1.47Å	1.51Å	Aromatic
C8A	C8	sing	1.39Å	1.42Å	Aromatic
C8	C7	doub	1.38Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C7	C6	sing	1.39Å	1.41Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C5	C4A	122.7°	120.2°
O5	C5	C6	118.4°	120.2°
C5	O5	HO5	122.7°	106.8°
C4A	C5	C6	119.0°	119.6°
C5	C4A	N4	122.0°	121.7°
C5	C4A	C8A	119.4°	119.3°
C5	C6	C7	120.8°	120.7°
C5	C6	H6	119.6°	119.6°
N4	C4A	C8A	118.6°	119.0°
C4A	N4	C3	122.6°	121.6°
C4A	C8A	C1	116.2°	118.0°
C4A	C8A	C8	120.8°	120.0°
N4	C3	C9	118.5°	118.3°
N4	C3	N2	123.8°	123.3°
C9	C3	N2	117.7°	118.3°
C3	C9	H91	118.6°	109.5°
C3	C9	H92	109.0°	109.4°
C3	C9	H93	109.0°	109.5°
C3	N2	C1	121.0°	120.6°
C3	N2	HN2	119.2°	119.7°
H91	C9	H92	108.9°	109.5°
H91	C9	H93	108.9°	109.5°
H92	C9	H93	101.1°	109.4°
C1	N2	HN2	119.8°	119.7°
N2	C1	O1	122.8°	121.3°
N2	C1	C8A	117.8°	117.4°
O1	C1	C8A	119.3°	121.2°
C1	C8A	C8	123.0°	122.0°
C8A	C8	C7	119.5°	119.7°
C8A	C8	H8	120.3°	120.1°
C7	C8	H8	120.2°	120.2°
C8	C7	C6	120.5°	120.6°
C8	C7	H7	119.9°	119.7°
C6	C7	H7	119.6°	119.7°
C7	C6	H6	119.5°	119.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C5	C4A	C6	179.3°	179.9°
O5	C5	C4A	N4	0.6°	0.1°
O5	C5	C4A	C8A	179.8°	179.9°
O5	C5	C6	C7	179.9°	180.0°
O5	C5	C6	H6	0.1°	0.2°
C4A	C5	O5	HO5	180.0°	89.9°
C5	C4A	N4	C8A	179.6°	180.0°
C5	C4A	N4	C3	179.5°	179.9°
C5	C4A	C8A	C1	179.7°	179.9°
C5	C4A	C8A	C8	0.1°	0.0°
C4A	C5	C6	C7	0.7°	0.1°
C4A	C5	C6	H6	179.3°	180.0°
C6	C5	O5	HO5	0.6°	89.9°
C6	C5	C4A	N4	179.9°	180.0°
C6	C5	C4A	C8A	0.5°	0.0°
C5	C6	C7	C8	0.6°	0.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	H7	179.4°	179.9°
C4A	N4	C3	C9	179.9°	180.0°
C4A	N4	C3	N2	0.7°	0.3°
N4	C4A	C8A	C1	0.7°	0.1°
N4	C4A	C8A	C8	179.7°	179.9°
C8A	C4A	N4	C3	0.1°	0.1°
C4A	C8A	C1	N2	0.8°	0.3°
C4A	C8A	C1	O1	179.9°	180.0°
C4A	C8A	C1	C8	179.6°	179.9°
C4A	C8A	C8	C7	0.0°	0.1°
C4A	C8A	C8	H8	179.9°	179.9°
N4	C3	C9	N2	179.2°	179.7°
N4	C3	C9	H91	180.0°	0.1°
N4	C3	C9	H92	54.8°	120.1°
N4	C3	C9	H93	54.7°	120.0°
N4	C3	N2	C1	0.6°	0.5°
N4	C3	N2	HN2	179.3°	179.9°
C3	C9	H91	H92	125.3°	120.0°
C3	C9	H91	H93	125.3°	120.1°
C3	C9	H92	H93	114.7°	120.0°
C9	C3	N2	C1	179.7°	179.8°
C9	C3	N2	HN2	0.2°	0.2°
N2	C3	C9	H91	0.8°	179.8°
N2	C3	C9	H92	124.4°	60.2°
N2	C3	C9	H93	126.1°	59.7°
C3	N2	C1	HN2	179.9°	179.6°
C3	N2	C1	O1	179.5°	179.8°
C3	N2	C1	C8A	0.2°	0.5°
H91	C9	H92	H93	114.6°	120.0°
N2	C1	O1	C8A	179.3°	179.7°
N2	C1	C8A	C8	179.6°	179.8°
HN2	N2	C1	O1	0.5°	0.2°
HN2	N2	C1	C8A	179.9°	179.9°
O1	C1	C8A	C8	0.3°	0.2°
C1	C8A	C8	C7	179.6°	179.9°
C1	C8A	C8	H8	0.3°	0.1°
C8A	C8	C7	H8	180.0°	180.0°
C8A	C8	C7	C6	0.3°	0.0°
C8A	C8	C7	H7	179.7°	180.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	H6	179.3°	179.9°
H8	C8	C7	C6	179.7°	180.0°
H8	C8	C7	H7	0.3°	0.0°
H7	C7	C6	H6	0.6°	0.1°

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