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Summary Geometry Related PDB entries

5SH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAJ	CAE	doub	1.32Å	1.40Å	Aromatic
NAJ	CAD	sing	1.32Å	1.40Å	Aromatic
CAE	CAI	sing	1.38Å	1.39Å	Aromatic
CAD	CAH	doub	1.38Å	1.39Å	Aromatic
CAI	CAL	doub	1.40Å	1.39Å	Aromatic
CAH	CAL	sing	1.40Å	1.39Å	Aromatic
CAL	CAK	sing	1.48Å	1.39Å
CAK	CAG	doub	1.39Å	1.39Å	Aromatic
CAK	CAF	sing	1.39Å	1.39Å	Aromatic
CAG	CAC	sing	1.38Å	1.39Å	Aromatic
CAF	CAB	doub	1.38Å	1.39Å	Aromatic
CAC	CAA	doub	1.38Å	1.39Å	Aromatic
CAB	CAA	sing	1.38Å	1.39Å	Aromatic
CAF	H1	sing	1.08Å	1.08Å
CAB	H2	sing	1.08Å	1.08Å
CAA	H3	sing	1.08Å	1.08Å
CAC	H4	sing	1.08Å	1.08Å
CAG	H5	sing	1.08Å	1.08Å
CAH	H6	sing	1.08Å	1.08Å
CAD	H7	sing	1.08Å	1.08Å
CAE	H8	sing	1.08Å	1.08Å
CAI	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAE	NAJ	CAD	119.5°	122.1°
NAJ	CAE	CAI	119.9°	120.8°
NAJ	CAE	H8	120.1°	119.6°
NAJ	CAD	CAH	120.1°	120.8°
NAJ	CAD	H7	119.9°	119.6°
CAE	CAI	CAL	120.3°	119.0°
CAI	CAE	H8	120.1°	119.6°
CAE	CAI	H9	119.8°	120.5°
CAD	CAH	CAL	120.3°	119.0°
CAD	CAH	H6	119.8°	120.5°
CAH	CAD	H7	119.9°	119.6°
CAI	CAL	CAH	119.9°	118.2°
CAI	CAL	CAK	120.4°	120.9°
CAL	CAI	H9	119.9°	120.5°
CAH	CAL	CAK	119.8°	120.9°
CAL	CAH	H6	119.9°	120.5°
CAL	CAK	CAG	120.0°	120.1°
CAL	CAK	CAF	120.2°	120.1°
CAG	CAK	CAF	119.7°	119.8°
CAK	CAG	CAC	120.2°	119.9°
CAK	CAG	H5	119.9°	120.1°
CAK	CAF	CAB	120.2°	119.9°
CAK	CAF	H1	119.9°	120.1°
CAG	CAC	CAA	119.9°	120.1°
CAG	CAC	H4	120.0°	119.9°
CAC	CAG	H5	119.9°	120.1°
CAF	CAB	CAA	119.9°	120.1°
CAB	CAF	H1	119.9°	120.1°
CAF	CAB	H2	120.0°	119.9°
CAC	CAA	CAB	120.1°	120.2°
CAC	CAA	H3	120.0°	119.9°
CAA	CAC	H4	120.1°	119.9°
CAA	CAB	H2	120.0°	119.9°
CAB	CAA	H3	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAJ	CAE	CAI	H8	180.0°	179.6°
CAE	NAJ	CAD	CAH	0.5°	0.0°
NAJ	CAE	CAI	CAL	0.3°	0.7°
CAE	NAJ	CAD	H7	179.4°	180.0°
NAJ	CAE	CAI	H9	179.7°	180.0°
CAD	NAJ	CAE	CAI	0.2°	0.3°
NAJ	CAD	CAH	H7	180.0°	180.0°
NAJ	CAD	CAH	CAL	0.4°	0.0°
NAJ	CAD	CAH	H6	179.6°	179.9°
CAD	NAJ	CAE	H8	179.9°	180.0°
CAE	CAI	CAL	H9	180.0°	179.4°
CAE	CAI	CAL	CAH	0.4°	0.6°
CAE	CAI	CAL	CAK	179.8°	179.7°
CAD	CAH	CAL	CAI	0.0°	0.3°
CAD	CAH	CAL	H6	180.0°	179.9°
CAD	CAH	CAL	CAK	179.5°	180.0°
CAI	CAL	CAH	CAK	179.4°	179.7°
CAI	CAL	CAK	CAG	33.5°	0.3°
CAI	CAL	CAK	CAF	146.9°	179.2°
CAI	CAL	CAH	H6	180.0°	179.8°
CAL	CAI	CAE	H8	179.7°	179.7°
CAH	CAL	CAK	CAG	146.0°	180.0°
CAH	CAL	CAK	CAF	33.6°	0.5°
CAL	CAH	CAD	H7	179.5°	180.0°
CAH	CAL	CAI	H9	179.6°	180.0°
CAL	CAK	CAG	CAF	179.6°	179.5°
CAL	CAK	CAG	CAC	179.8°	180.0°
CAL	CAK	CAF	CAB	180.0°	180.0°
CAL	CAK	CAF	H1	0.0°	0.2°
CAL	CAK	CAG	H5	0.2°	0.2°
CAK	CAL	CAH	H6	0.5°	0.1°
CAK	CAL	CAI	H9	0.2°	0.3°
CAK	CAG	CAC	H5	180.0°	179.8°
CAG	CAK	CAF	CAB	0.3°	0.5°
CAK	CAG	CAC	CAA	0.0°	0.2°
CAG	CAK	CAF	H1	179.7°	179.7°
CAK	CAG	CAC	H4	179.9°	179.8°
CAF	CAK	CAG	CAC	0.1°	0.5°
CAK	CAF	CAB	H1	180.0°	179.8°
CAK	CAF	CAB	CAA	0.3°	0.3°
CAK	CAF	CAB	H2	179.7°	179.7°
CAF	CAK	CAG	H5	179.8°	179.7°
CAG	CAC	CAA	H4	180.0°	180.0°
CAG	CAC	CAA	CAB	0.0°	0.0°
CAG	CAC	CAA	H3	180.0°	180.0°
CAF	CAB	CAA	CAC	0.1°	0.0°
CAF	CAB	CAA	H2	180.0°	180.0°
CAF	CAB	CAA	H3	179.8°	180.0°
CAC	CAA	CAB	H3	180.0°	180.0°
CAC	CAA	CAB	H2	179.9°	180.0°
CAA	CAC	CAG	H5	180.0°	180.0°
CAA	CAB	CAF	H1	179.7°	179.9°
CAB	CAA	CAC	H4	179.9°	180.0°
H1	CAF	CAB	H2	0.3°	0.0°
H2	CAB	CAA	H3	0.2°	0.0°
H3	CAA	CAC	H4	0.0°	0.0°
H4	CAC	CAG	H5	0.0°	0.1°
H6	CAH	CAD	H7	0.5°	0.1°
H8	CAE	CAI	H9	0.3°	0.3°

246704

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