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Summary Geometry Related PDB entries

AVN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.34Å	1.33Å
C1	O2	doub	1.21Å	1.21Å
C1	C2	sing	1.51Å	1.52Å
O1	HO1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C2	N1	sing	1.47Å	1.47Å
C2	C3	sing	1.53Å	1.51Å
N1	HN11	sing	1.01Å	1.00Å
N1	HN12	sing	1.01Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	O3	sing	1.44Å	1.36Å
C3	C5	sing	1.55Å	1.36Å
O3	N2	sing	1.41Å	1.47Å
N2	C4	doub	1.28Å	1.43Å
C4	CL1	sing	1.74Å	45.38Å
C4	C5	sing	1.52Å	1.57Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	120.2°	120.0°
O1	C1	C2	116.4°	120.0°
C1	O1	HO1	109.5°	117.0°
O2	C1	C2	120.2°	120.0°
C1	C2	H2	104.6°	109.5°
C1	C2	N1	109.8°	109.5°
C1	C2	C3	115.6°	109.5°
H2	C2	N1	112.4°	109.4°
H2	C2	C3	106.2°	109.5°
N1	C2	C3	108.3°	109.5°
C2	N1	HN11	109.5°	111.0°
C2	N1	HN12	109.4°	111.0°
C2	C3	H3	91.7°	110.9°
C2	C3	O3	118.5°	111.0°
C2	C3	C5	120.8°	111.0°
HN11	N1	HN12	109.5°	111.0°
H3	C3	O3	103.1°	111.0°
H3	C3	C5	97.8°	111.0°
O3	C3	C5	115.8°	101.6°
C3	O3	N2	109.0°	107.6°
C3	C5	C4	99.0°	102.4°
C3	C5	H51	113.1°	110.8°
C3	C5	H52	115.3°	110.9°
O3	N2	C4	101.2°	113.1°
N2	C4	CL1	145.3°	125.8°
N2	C4	C5	111.1°	108.5°
CL1	C4	C5	54.1°	125.7°
C4	C5	H51	113.1°	110.8°
C4	C5	H52	115.2°	110.8°
H51	C5	H52	101.7°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	158.8°	179.7°
O1	C1	C2	H2	40.1°	40.1°
O1	C1	C2	N1	160.9°	160.0°
O1	C1	C2	C3	76.2°	80.0°
O2	C1	O1	HO1	0.0°	0.1°
O2	C1	C2	H2	160.3°	140.2°
O2	C1	C2	N1	39.5°	20.3°
O2	C1	C2	C3	83.4°	99.7°
C2	C1	O1	HO1	159.6°	179.8°
C1	C2	H2	N1	119.1°	120.0°
C1	C2	H2	C3	122.7°	120.0°
C1	C2	N1	C3	127.1°	120.0°
C1	C2	N1	HN11	128.9°	63.9°
C1	C2	N1	HN12	111.1°	60.0°
C1	C2	C3	H3	61.4°	59.3°
C1	C2	C3	O3	167.2°	64.6°
C1	C2	C3	C5	38.8°	176.8°
H2	C2	N1	C3	117.0°	120.0°
H2	C2	N1	HN11	115.2°	56.1°
H2	C2	N1	HN12	4.9°	180.0°
H2	C2	C3	H3	54.0°	179.3°
H2	C2	C3	O3	51.8°	55.4°
H2	C2	C3	C5	154.2°	56.8°
C2	N1	HN11	HN12	120.0°	123.9°
N1	C2	C3	H3	175.0°	60.7°
N1	C2	C3	O3	69.1°	175.4°
N1	C2	C3	C5	84.9°	63.2°
C3	C2	N1	HN11	1.8°	176.1°
C3	C2	N1	HN12	121.8°	60.0°
C2	C3	H3	O3	119.8°	123.9°
C2	C3	H3	C5	121.4°	123.9°
C2	C3	O3	C5	155.3°	118.1°
C2	C3	O3	N2	177.1°	143.2°
C2	C3	C5	C4	169.2°	142.0°
C2	C3	C5	H51	49.2°	23.8°
C2	C3	C5	H52	67.3°	99.8°
H3	C3	O3	C5	105.5°	118.1°
H3	C3	O3	N2	83.7°	93.0°
H3	C3	C5	C4	94.1°	94.2°
H3	C3	C5	H51	145.9°	147.6°
H3	C3	C5	H52	29.4°	24.1°
C3	O3	N2	C4	17.2°	17.4°
O3	C3	C5	C4	14.6°	23.9°
O3	C3	C5	H51	105.5°	94.3°
O3	C3	C5	H52	138.1°	142.2°
C5	C3	O3	N2	21.8°	25.1°
C3	C5	C4	N2	2.4°	15.2°
C3	C5	C4	CL1	141.5°	164.7°
C3	C5	C4	H51	120.0°	118.2°
C3	C5	C4	H52	123.5°	118.3°
C3	C5	H51	H52	124.2°	123.5°
O3	N2	C4	CL1	65.6°	179.7°
O3	N2	C4	C5	8.7°	0.4°
N2	C4	CL1	C5	74.7°	179.9°
N2	C4	C5	H51	117.6°	103.0°
N2	C4	C5	H52	126.0°	133.5°
CL1	C4	C5	H51	98.5°	77.0°
CL1	C4	C5	H52	17.9°	46.4°
C4	C5	H51	H52	124.2°	123.5°

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