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Summary Geometry Related PDB entries

URQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C5	sing	1.53Å	1.33Å
C5	C6	sing	1.53Å	1.38Å
C5	C4	sing	1.51Å	1.51Å
C6	N1	sing	1.46Å	1.38Å
O41	C4	doub	1.21Å	1.11Å
N1	C2	sing	1.35Å	1.27Å
C4	O42	sing	1.34Å	1.23Å
C2	N3	sing	1.35Å	1.24Å
C2	O2	doub	1.22Å	1.16Å
O42	H1	sing	0.97Å	0.95Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
N3	H5	sing	0.97Å	1.00Å
N3	H6	sing	0.97Å	1.00Å
C5	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C5	C6	105.1°	109.5°
C7	C5	C4	124.9°	109.5°
C5	C7	H2	109.5°	109.5°
C5	C7	H3	109.5°	109.5°
C7	C5	H7	96.3°	109.4°
C5	C7	H8	109.5°	109.4°
C6	C5	C4	126.7°	109.5°
C5	C6	N1	131.1°	109.4°
C5	C6	H4	103.9°	109.4°
C6	C5	H7	96.1°	109.5°
C5	C6	H9	103.8°	109.5°
C5	C4	O41	115.3°	120.0°
C5	C4	O42	131.4°	120.0°
C4	C5	H7	95.6°	109.4°
C6	N1	C2	128.1°	120.0°
N1	C6	H4	103.8°	109.5°
N1	C6	H9	103.8°	109.5°
C6	N1	H10	115.9°	120.1°
O41	C4	O42	113.1°	120.0°
N1	C2	N3	115.9°	120.0°
N1	C2	O2	125.3°	120.0°
C2	N1	H10	115.9°	120.0°
C4	O42	H1	109.5°	117.0°
N3	C2	O2	118.7°	120.0°
C2	N3	H5	120.0°	120.0°
C2	N3	H6	120.0°	120.0°
H2	C7	H3	109.5°	109.5°
H2	C7	H8	109.5°	109.5°
H3	C7	H8	109.5°	109.5°
H4	C6	H9	109.5°	109.5°
H5	N3	H6	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C5	C6	C4	160.0°	120.0°
C7	C5	C6	H7	98.3°	120.0°
C7	C5	C4	H7	101.8°	119.9°
C7	C5	C6	N1	127.9°	65.0°
C7	C5	C4	O41	61.1°	120.1°
C7	C5	C4	O42	124.7°	59.7°
C5	C7	H2	H3	120.0°	120.0°
C5	C7	H2	H8	120.0°	119.9°
C5	C7	H3	H8	120.0°	120.0°
C7	C5	C6	H4	109.3°	55.0°
C7	C5	C6	H9	5.1°	175.0°
C6	C5	C4	H7	101.9°	120.0°
C5	C6	N1	H4	122.8°	119.9°
C5	C6	N1	H9	122.8°	120.0°
C6	C5	C4	O41	95.2°	0.0°
C5	C6	N1	C2	10.3°	180.0°
C6	C5	C4	O42	79.0°	179.8°
C6	C5	C7	H2	180.0°	60.0°
C6	C5	C7	H3	60.0°	180.0°
C5	C6	H4	H9	110.4°	120.0°
C6	C5	C7	H8	60.0°	60.0°
C5	C6	N1	H10	169.7°	0.0°
C4	C5	C6	N1	32.1°	175.0°
C5	C4	O41	O42	175.3°	179.8°
C5	C4	O42	H1	174.4°	179.7°
C4	C5	C7	H2	19.5°	180.0°
C4	C5	C7	H3	100.5°	60.0°
C4	C5	C6	H4	90.6°	65.0°
C4	C5	C7	H8	139.5°	60.1°
C4	C5	C6	H9	154.9°	55.0°
C6	N1	C2	H10	180.0°	180.0°
C6	N1	C2	N3	1.4°	180.0°
C6	N1	C2	O2	178.5°	0.0°
N1	C6	H4	H9	110.4°	120.1°
N1	C6	C5	H7	133.8°	55.0°
O41	C4	O42	H1	0.0°	0.1°
O41	C4	C5	H7	162.8°	120.0°
N1	C2	N3	O2	177.3°	180.0°
C2	N1	C6	H4	112.5°	60.0°
N1	C2	N3	H5	177.3°	0.0°
N1	C2	N3	H6	2.7°	180.0°
C2	N1	C6	H9	133.1°	60.0°
O42	C4	C5	H7	22.9°	60.2°
C2	N3	H5	H6	180.0°	180.0°
N3	C2	N1	H10	178.6°	0.0°
O2	C2	N3	H5	0.0°	180.0°
O2	C2	N3	H6	179.9°	0.0°
O2	C2	N1	H10	1.5°	180.0°
H2	C7	H3	H8	120.0°	120.0°
H2	C7	C5	H7	81.9°	60.1°
H3	C7	C5	H7	158.1°	59.9°
H4	C6	C5	H7	11.0°	175.0°
H4	C6	N1	H10	67.6°	120.0°
H7	C5	C7	H8	38.1°	180.0°
H7	C5	C6	H9	103.4°	65.0°
H9	C6	N1	H10	46.9°	119.9°

222415

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