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Summary Geometry Related PDB entries

9KS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C6	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.40Å	Aromatic
O2	C8	sing	1.36Å	1.36Å
C6	C5	sing	1.38Å	1.38Å	Aromatic
C8	C3	doub	1.39Å	1.41Å	Aromatic
C5	C4	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.51Å	1.49Å
C3	C4	sing	1.39Å	1.39Å	Aromatic
C3	N1	sing	1.40Å	1.42Å
N1	C2	sing	1.35Å	1.36Å
C2	O1	doub	1.21Å	1.23Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
O2	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C7	C8	120.3°	120.0°
C7	C6	C5	120.1°	120.2°
C7	C6	H4	120.0°	119.9°
C6	C7	H5	119.8°	120.0°
C7	C8	O2	119.9°	120.1°
C7	C8	C3	119.4°	119.9°
C8	C7	H5	119.8°	120.0°
O2	C8	C3	120.7°	120.0°
C8	O2	H9	109.5°	114.0°
C6	C5	C4	120.4°	120.2°
C6	C5	H3	119.8°	119.9°
C5	C6	H4	119.9°	120.0°
C8	C3	C4	119.2°	119.8°
C8	C3	N1	120.0°	120.2°
C5	C4	C3	120.5°	120.0°
C5	C4	H2	119.7°	120.1°
C4	C5	H3	119.8°	119.9°
C1	C2	N1	117.8°	120.0°
C1	C2	O1	120.0°	120.0°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.4°	109.5°
C2	C1	H8	109.5°	109.5°
C4	C3	N1	120.5°	120.1°
C3	C4	H2	119.7°	120.0°
C3	N1	C2	134.7°	120.0°
C3	N1	H1	112.6°	119.9°
N1	C2	O1	122.2°	120.0°
C2	N1	H1	112.6°	120.0°
H6	C1	H7	109.5°	109.4°
H6	C1	H8	109.5°	109.5°
H7	C1	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C7	C8	H5	180.0°	180.0°
C6	C7	C8	O2	179.1°	179.9°
C7	C6	C5	H4	180.0°	180.0°
C6	C7	C8	C3	1.4°	0.3°
C7	C6	C5	C4	0.8°	0.0°
C7	C6	C5	H3	179.3°	180.0°
C7	C8	O2	C3	177.6°	179.8°
C8	C7	C6	C5	0.3°	0.0°
C7	C8	C3	C4	3.0°	0.5°
C7	C8	C3	N1	176.9°	180.0°
C8	C7	C6	H4	179.7°	179.9°
C7	C8	O2	H9	180.0°	90.0°
O2	C8	C3	C4	179.3°	179.7°
O2	C8	C3	N1	5.5°	0.2°
O2	C8	C7	H5	1.0°	0.0°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	C3	2.4°	0.3°
C6	C5	C4	H2	177.6°	179.9°
C5	C6	C7	H5	179.7°	180.0°
C8	C3	C4	C5	3.6°	0.5°
C8	C3	C4	N1	173.8°	179.5°
C8	C3	N1	C2	53.2°	144.9°
C8	C3	N1	H1	126.7°	35.4°
C8	C3	C4	H2	176.5°	179.7°
C3	C8	C7	H5	178.6°	179.8°
C3	C8	O2	H9	2.4°	89.8°
C5	C4	C3	H2	180.0°	179.8°
C5	C4	C3	N1	177.4°	180.0°
C4	C5	C6	H4	179.2°	179.9°
C1	C2	N1	C3	17.8°	175.8°
C1	C2	N1	O1	178.5°	180.0°
C1	C2	N1	H1	162.2°	4.4°
C2	C1	H6	H7	120.0°	120.0°
C2	C1	H6	H8	120.0°	120.0°
C2	C1	H7	H8	120.0°	120.0°
C4	C3	N1	C2	133.0°	34.6°
C4	C3	N1	H1	47.0°	145.1°
C3	C4	C5	H3	177.6°	179.7°
C3	N1	C2	H1	180.0°	179.8°
C3	N1	C2	O1	163.7°	4.2°
N1	C3	C4	H2	2.7°	0.2°
N1	C2	C1	H6	178.5°	0.0°
N1	C2	C1	H7	58.5°	120.0°
N1	C2	C1	H8	61.4°	120.0°
O1	C2	N1	H1	16.3°	175.6°
O1	C2	C1	H6	0.0°	180.0°
O1	C2	C1	H7	120.0°	60.1°
O1	C2	C1	H8	120.0°	60.0°
H2	C4	C5	H3	2.4°	0.1°
H3	C5	C6	H4	0.7°	0.1°
H4	C6	C7	H5	0.3°	0.0°
H6	C1	H7	H8	120.0°	120.0°

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