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Summary Geometry Related PDB entries

NCD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C61	sing	1.51Å	1.55Å
C6	N1	sing	1.46Å	1.46Å
C6	C5	sing	1.53Å	1.51Å
C6	H61	sing	1.09Å	1.12Å
C61	O61	sing	1.34Å	1.26Å
C61	O62	doub	1.21Å	1.25Å
O61	H611	sing	0.97Å	0.95Å
N1	C2	sing	1.35Å	1.35Å
N1	H11	sing	0.97Å	1.02Å
C2	O2	doub	1.22Å	1.25Å
C2	N3	sing	1.35Å	1.32Å
N3	H31	sing	0.97Å	1.02Å
N3	H32	sing	0.97Å	1.02Å
C5	C4	sing	1.51Å	1.52Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
C4	O4	doub	1.21Å	1.27Å
C4	O5	sing	1.34Å	1.27Å
O5	HO51	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C61	C6	N1	109.0°	109.5°
C61	C6	C5	106.9°	109.5°
C61	C6	H61	112.8°	109.5°
C6	C61	O61	119.7°	120.0°
C6	C61	O62	122.0°	120.1°
N1	C6	C5	113.2°	109.5°
N1	C6	H61	106.5°	109.4°
C6	N1	C2	124.2°	120.1°
C6	N1	H11	106.9°	120.0°
C5	C6	H61	108.6°	109.4°
C6	C5	C4	115.5°	109.5°
C6	C5	H51	110.0°	109.4°
C6	C5	H52	110.0°	109.5°
O61	C61	O62	118.3°	119.9°
C61	O61	H611	119.7°	120.1°
C2	N1	H11	107.0°	119.9°
N1	C2	O2	120.7°	119.9°
N1	C2	N3	121.6°	120.1°
O2	C2	N3	117.7°	120.0°
C2	N3	H31	117.7°	120.0°
C2	N3	H32	121.6°	120.0°
H31	N3	H32	120.7°	120.0°
C4	C5	H51	110.0°	109.5°
C4	C5	H52	110.0°	109.5°
C5	C4	O4	121.3°	120.0°
C5	C4	O5	118.4°	120.1°
H51	C5	H52	100.2°	109.4°
O4	C4	O5	120.2°	119.9°
C4	O5	HO51	118.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C61	C6	N1	C5	118.8°	120.1°
C61	C6	N1	H61	121.9°	120.0°
C61	C6	C5	H61	121.9°	120.0°
C6	C61	O61	O62	179.0°	180.0°
C6	C61	O61	H611	180.0°	180.0°
C61	C6	N1	C2	169.7°	89.9°
C61	C6	N1	H11	65.0°	90.0°
C61	C6	C5	C4	156.1°	180.0°
C61	C6	C5	H51	78.6°	60.0°
C61	C6	C5	H52	30.8°	59.9°
N1	C6	C5	H61	118.0°	120.0°
N1	C6	C61	O61	169.0°	30.0°
N1	C6	C61	O62	10.1°	150.0°
C6	N1	C2	H11	125.2°	180.0°
C6	N1	C2	O2	171.5°	0.0°
C6	N1	C2	N3	8.0°	180.0°
N1	C6	C5	C4	83.9°	60.0°
N1	C6	C5	H51	41.5°	60.0°
N1	C6	C5	H52	150.9°	180.0°
C5	C6	C61	O61	46.3°	90.1°
C5	C6	C61	O62	132.8°	90.0°
C5	C6	N1	C2	71.4°	150.0°
C5	C6	N1	H11	53.8°	30.0°
C6	C5	C4	H51	125.3°	120.0°
C6	C5	C4	H52	125.2°	120.1°
C6	C5	H51	H52	115.8°	120.0°
C6	C5	C4	O4	25.5°	0.1°
C6	C5	C4	O5	152.9°	180.0°
H61	C6	C61	O61	73.0°	150.0°
H61	C6	C61	O62	108.0°	30.0°
H61	C6	N1	C2	47.8°	30.0°
H61	C6	N1	H11	173.1°	150.0°
H61	C6	C5	C4	34.1°	60.0°
H61	C6	C5	H51	159.5°	180.0°
H61	C6	C5	H52	91.1°	60.0°
O62	C61	O61	H611	1.0°	0.0°
N1	C2	O2	N3	179.5°	179.9°
N1	C2	N3	H31	0.5°	180.0°
N1	C2	N3	H32	180.0°	0.3°
H11	N1	C2	O2	63.3°	180.0°
H11	N1	C2	N3	117.2°	0.1°
O2	C2	N3	H31	180.0°	0.0°
O2	C2	N3	H32	0.5°	179.7°
C2	N3	H31	H32	179.6°	179.7°
C4	C5	H51	H52	115.8°	120.0°
C5	C4	O4	O5	178.4°	180.0°
C5	C4	O5	HO51	180.0°	179.9°
H51	C5	C4	O4	150.8°	120.0°
H51	C5	C4	O5	27.6°	60.0°
H52	C5	C4	O4	99.8°	120.0°
H52	C5	C4	O5	81.8°	59.9°
O4	C4	O5	HO51	1.6°	0.0°

224201

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