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Summary Geometry Related PDB entries

BZ2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAI	OAA	sing	1.35Å	1.26Å
OAA	HOAA	sing	0.97Å	0.95Å
OAB	CAI	doub	1.22Å	1.24Å
CAD	CAC	doub	1.39Å	1.39Å	Aromatic
CAE	CAC	sing	1.37Å	1.38Å	Aromatic
CAC	HAC	sing	1.08Å	1.08Å
CAF	CAD	sing	1.38Å	1.39Å	Aromatic
CAD	HAD	sing	1.08Å	1.08Å
CAK	CAE	doub	1.40Å	1.40Å	Aromatic
CAE	HAE	sing	1.08Å	1.08Å
CAL	CAF	doub	1.39Å	1.39Å	Aromatic
CAF	HAF	sing	1.08Å	1.08Å
CAJ	CAG	doub	1.36Å	1.33Å	Aromatic
CAG	CAK	sing	1.46Å	1.33Å	Aromatic
CAG	HAG	sing	1.08Å	1.08Å
CAJ	OAH	sing	1.35Å	1.38Å	Aromatic
OAH	CAL	sing	1.35Å	1.39Å	Aromatic
CAI	CAJ	sing	1.47Å	1.53Å
CAL	CAK	sing	1.41Å	1.39Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAI	OAA	HOAA	109.5°	117.0°
OAA	CAI	OAB	124.6°	120.0°
OAA	CAI	CAJ	119.9°	120.0°
OAB	CAI	CAJ	115.4°	120.0°
CAD	CAC	CAE	118.2°	120.5°
CAD	CAC	HAC	120.9°	119.8°
CAC	CAD	CAF	121.5°	120.8°
CAC	CAD	HAD	119.2°	119.6°
CAE	CAC	HAC	120.9°	119.8°
CAC	CAE	CAK	120.5°	119.7°
CAC	CAE	HAE	119.7°	120.2°
CAF	CAD	HAD	119.2°	119.6°
CAD	CAF	CAL	120.5°	119.8°
CAD	CAF	HAF	119.7°	120.1°
CAK	CAE	HAE	119.8°	120.1°
CAE	CAK	CAG	131.5°	134.2°
CAE	CAK	CAL	121.5°	120.0°
CAL	CAF	HAF	119.7°	120.0°
CAF	CAL	OAH	134.1°	133.3°
CAF	CAL	CAK	117.7°	119.2°
CAJ	CAG	CAK	109.9°	106.1°
CAJ	CAG	HAG	125.0°	127.0°
CAG	CAJ	OAH	110.2°	109.7°
CAG	CAJ	CAI	122.6°	125.1°
CAK	CAG	HAG	125.1°	126.9°
CAG	CAK	CAL	107.0°	105.7°
CAJ	OAH	CAL	104.7°	110.9°
OAH	CAJ	CAI	127.2°	125.2°
OAH	CAL	CAK	108.1°	107.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAA	CAI	OAB	CAJ	174.9°	180.0°
OAA	CAI	CAJ	CAG	5.1°	180.0°
OAA	CAI	CAJ	OAH	178.4°	0.1°
HOAA	OAA	CAI	OAB	0.0°	0.1°
HOAA	OAA	CAI	CAJ	174.7°	180.0°
OAB	CAI	CAJ	CAG	170.1°	0.0°
OAB	CAI	CAJ	OAH	6.4°	179.9°
CAD	CAC	CAE	HAC	180.0°	179.7°
CAC	CAD	CAF	HAD	180.0°	179.9°
CAD	CAC	CAE	CAK	0.1°	0.3°
CAD	CAC	CAE	HAE	180.0°	179.6°
CAC	CAD	CAF	CAL	0.1°	0.0°
CAC	CAD	CAF	HAF	180.0°	179.9°
CAE	CAC	CAD	CAF	0.0°	0.3°
CAE	CAC	CAD	HAD	180.0°	179.8°
CAC	CAE	CAK	HAE	180.0°	179.9°
CAC	CAE	CAK	CAG	179.1°	180.0°
CAC	CAE	CAK	CAL	0.2°	0.0°
HAC	CAC	CAD	CAF	180.0°	179.9°
HAC	CAC	CAD	HAD	0.0°	0.1°
HAC	CAC	CAE	CAK	179.9°	179.9°
HAC	CAC	CAE	HAE	0.1°	0.0°
CAD	CAF	CAL	HAF	180.0°	179.9°
CAD	CAF	CAL	OAH	179.7°	180.0°
CAD	CAF	CAL	CAK	0.2°	0.3°
HAD	CAD	CAF	CAL	179.9°	179.9°
HAD	CAD	CAF	HAF	0.0°	0.0°
CAE	CAK	CAL	CAF	0.2°	0.3°
CAE	CAK	CAG	CAJ	179.9°	180.0°
CAE	CAK	CAG	CAL	179.4°	180.0°
CAE	CAK	CAG	HAG	0.1°	0.0°
CAE	CAK	CAL	OAH	179.9°	179.9°
HAE	CAE	CAK	CAG	0.9°	0.1°
HAE	CAE	CAK	CAL	179.8°	179.9°
CAF	CAL	CAK	CAG	179.2°	179.7°
CAF	CAL	OAH	CAJ	179.6°	179.6°
CAF	CAL	OAH	CAK	179.6°	179.8°
HAF	CAF	CAL	OAH	0.3°	0.0°
HAF	CAF	CAL	CAK	179.9°	179.8°
CAJ	CAG	CAK	HAG	180.0°	180.0°
CAG	CAJ	OAH	CAI	176.9°	179.9°
CAG	CAJ	OAH	CAL	0.5°	0.2°
CAJ	CAG	CAK	CAL	0.8°	0.0°
CAK	CAG	CAJ	OAH	0.8°	0.1°
CAG	CAK	CAL	OAH	0.5°	0.1°
CAK	CAG	CAJ	CAI	177.9°	180.0°
HAG	CAG	CAJ	OAH	179.2°	179.9°
HAG	CAG	CAJ	CAI	2.2°	0.0°
HAG	CAG	CAK	CAL	179.2°	180.0°
CAJ	OAH	CAL	CAK	0.0°	0.2°
CAL	OAH	CAJ	CAI	177.4°	179.9°

246704

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