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Summary Geometry Related PDB entries

HJH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C6	doub	1.21Å	1.33Å
O1	C6	sing	1.34Å	1.21Å
C6	C1	sing	1.51Å	1.55Å
C1	N4	sing	1.47Å	1.49Å
C1	C2	sing	1.53Å	1.55Å
C2	C3	sing	1.51Å	1.53Å
C3	N3	doub	1.31Å	1.32Å	Aromatic
C3	C4	sing	1.40Å	1.41Å	Aromatic
N3	N2	sing	1.29Å	1.35Å	Aromatic
O3	C4	sing	1.36Å	1.35Å
C4	N1	doub	1.32Å	1.32Å	Aromatic
N2	N1	sing	1.40Å	1.33Å	Aromatic
N2	C5	sing	1.46Å	1.45Å
C5	H4	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N4	H7	sing	1.01Å	1.00Å
N4	H8	sing	1.01Å	1.00Å
O1	H11	sing	0.97Å	0.95Å
O3	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C6	O1	121.9°	120.0°
O2	C6	C1	115.5°	120.0°
O1	C6	C1	122.6°	120.0°
C6	O1	H11	109.5°	117.0°
C6	C1	N4	111.6°	109.4°
C6	C1	C2	111.8°	109.5°
C6	C1	H1	106.9°	109.5°
N4	C1	C2	111.3°	109.5°
N4	C1	H1	107.8°	109.5°
C1	N4	H7	109.5°	111.0°
C1	N4	H8	109.5°	111.0°
C1	C2	C3	114.9°	109.5°
C2	C1	H1	107.0°	109.5°
C1	C2	H3	108.1°	109.5°
C1	C2	H2	108.1°	109.5°
C2	C3	N3	123.3°	125.9°
C2	C3	C4	129.7°	125.8°
C3	C2	H3	108.1°	109.4°
C3	C2	H2	108.1°	109.4°
N3	C3	C4	107.0°	108.3°
C3	N3	N2	103.5°	109.7°
C3	C4	O3	126.3°	126.7°
C3	C4	N1	111.4°	106.6°
N3	N2	N1	116.9°	108.6°
N3	N2	C5	120.8°	125.7°
O3	C4	N1	122.3°	126.7°
C4	O3	H10	109.5°	114.0°
C4	N1	N2	101.2°	106.8°
N1	N2	C5	122.2°	125.7°
N2	C5	H4	109.5°	109.5°
N2	C5	H6	109.5°	109.5°
N2	C5	H5	109.4°	109.5°
H4	C5	H6	109.5°	109.4°
H4	C5	H5	109.5°	109.4°
H6	C5	H5	109.5°	109.5°
H3	C2	H2	109.5°	109.5°
H7	N4	H8	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C6	O1	C1	177.8°	180.0°
O2	C6	C1	N4	6.2°	20.0°
O2	C6	C1	C2	131.6°	100.0°
O2	C6	C1	H1	111.5°	140.0°
O2	C6	O1	H11	0.0°	0.0°
O1	C6	C1	N4	175.9°	160.0°
O1	C6	C1	C2	50.5°	80.0°
O1	C6	C1	H1	66.4°	40.0°
C6	C1	N4	C2	125.8°	120.0°
C6	C1	N4	H1	117.1°	120.0°
C6	C1	C2	H1	116.8°	120.0°
C6	C1	C2	C3	164.6°	175.0°
C6	C1	C2	H3	74.6°	65.0°
C6	C1	C2	H2	43.9°	55.0°
C6	C1	N4	H7	180.0°	60.0°
C6	C1	N4	H8	60.0°	176.1°
C1	C6	O1	H11	177.7°	180.0°
N4	C1	C2	H1	117.5°	120.0°
N4	C1	C2	C3	69.7°	65.0°
N4	C1	C2	H3	51.1°	55.0°
N4	C1	C2	H2	169.5°	175.0°
C1	N4	H7	H8	120.0°	123.9°
C1	C2	C3	H3	120.8°	120.0°
C1	C2	C3	H2	120.8°	120.0°
C1	C2	C3	N3	95.5°	90.0°
C1	C2	C3	C4	82.4°	90.0°
C1	C2	H3	H2	117.5°	120.0°
C2	C1	N4	H7	54.2°	60.0°
C2	C1	N4	H8	174.2°	64.0°
C2	C3	N3	C4	178.3°	180.0°
C2	C3	N3	N2	178.3°	180.0°
C2	C3	C4	O3	2.5°	0.0°
C2	C3	C4	N1	178.4°	180.0°
C3	C2	C1	H1	47.8°	55.0°
C3	C2	H3	H2	117.5°	120.0°
N3	C3	C4	O3	179.3°	180.0°
N3	C3	C4	N1	0.2°	0.0°
C3	N3	N2	N1	0.2°	0.0°
C3	N3	N2	C5	177.1°	180.0°
N3	C3	C2	H3	25.3°	30.0°
N3	C3	C2	H2	143.7°	150.0°
C4	C3	N3	N2	0.0°	0.0°
C3	C4	O3	N1	179.0°	180.0°
C3	C4	N1	N2	0.3°	0.0°
C4	C3	C2	H3	156.8°	150.0°
C4	C3	C2	H2	38.4°	30.0°
C3	C4	O3	H10	178.9°	90.0°
N3	N2	N1	C4	0.4°	0.0°
N3	N2	N1	C5	176.8°	180.0°
N3	N2	C5	H4	0.0°	90.0°
N3	N2	C5	H6	120.0°	150.0°
N3	N2	C5	H5	120.0°	30.0°
O3	C4	N1	N2	179.4°	180.0°
C4	N1	N2	C5	177.2°	180.0°
N1	C4	O3	H10	0.0°	90.0°
N1	N2	C5	H4	176.7°	90.0°
N1	N2	C5	H6	56.7°	30.0°
N1	N2	C5	H5	63.3°	150.0°
N2	C5	H4	H6	120.0°	120.0°
N2	C5	H4	H5	120.0°	120.0°
N2	C5	H6	H5	120.0°	120.0°
H4	C5	H6	H5	120.0°	120.0°
H1	C1	C2	H3	168.6°	175.0°
H1	C1	C2	H2	73.0°	65.0°
H1	C1	N4	H7	62.9°	180.0°
H1	C1	N4	H8	57.1°	56.0°

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