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Summary Geometry Related PDB entries

A1KEV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	doub	1.39Å	1.39Å	Aromatic
C9	C11	sing	1.36Å	1.37Å	Aromatic
C10	C6	sing	1.38Å	1.39Å	Aromatic
C11	C4	doub	1.40Å	1.42Å	Aromatic
C6	N8	sing	1.39Å	1.39Å
C6	C1	doub	1.41Å	1.45Å	Aromatic
C4	C1	sing	1.42Å	1.43Å	Aromatic
C4	N2	sing	1.34Å	1.38Å	Aromatic
C1	C5	sing	1.41Å	1.43Å	Aromatic
N2	N3	doub	1.28Å	1.29Å	Aromatic
N3	C7	sing	1.33Å	1.43Å	Aromatic
C5	C7	doub	1.37Å	1.40Å	Aromatic
C7	C12	sing	1.51Å	1.50Å
C5	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.08Å	1.08Å
N8	H8	sing	0.97Å	1.00Å
N8	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C11	120.9°	121.2°
C9	C10	C6	121.4°	120.7°
C9	C10	H2	119.3°	119.7°
C10	C9	H3	119.6°	119.4°
C9	C11	C4	120.6°	120.0°
C11	C9	H3	119.5°	119.4°
C9	C11	H7	119.7°	120.0°
C10	C6	N8	120.1°	120.4°
C10	C6	C1	119.2°	119.2°
C6	C10	H2	119.3°	119.6°
C11	C4	C1	119.3°	119.2°
C11	C4	N2	116.4°	121.8°
C4	C11	H7	119.7°	120.0°
N8	C6	C1	120.7°	120.4°
C6	N8	H8	109.5°	120.0°
C6	N8	H9	109.5°	120.0°
C6	C1	C4	118.5°	119.7°
C6	C1	C5	122.7°	122.2°
C1	C4	N2	124.3°	119.0°
C4	C1	C5	118.8°	118.1°
C4	N2	N3	117.0°	121.4°
C1	C5	C7	114.0°	117.5°
C1	C5	H1	123.0°	121.2°
N2	N3	C7	122.6°	123.2°
N3	C7	C5	123.4°	120.7°
N3	C7	C12	115.7°	119.6°
C5	C7	C12	120.9°	119.6°
C7	C5	H1	123.0°	121.2°
C7	C12	H4	109.5°	109.5°
C7	C12	H5	109.5°	109.5°
C7	C12	H6	109.5°	109.4°
H4	C12	H5	109.4°	109.5°
H4	C12	H6	109.5°	109.5°
H5	C12	H6	109.5°	109.5°
H8	N8	H9	109.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C11	H3	180.0°	180.0°
C9	C10	C6	H2	180.0°	180.0°
C10	C9	C11	C4	0.1°	0.0°
C9	C10	C6	N8	178.8°	180.0°
C9	C10	C6	C1	0.5°	0.0°
C10	C9	C11	H7	179.9°	180.0°
C11	C9	C10	C6	0.3°	0.0°
C9	C11	C4	H7	180.0°	180.0°
C9	C11	C4	C1	0.3°	0.0°
C9	C11	C4	N2	179.6°	180.0°
C11	C9	C10	H2	179.7°	180.0°
C10	C6	N8	C1	179.3°	180.0°
C10	C6	C1	C4	0.3°	0.0°
C10	C6	C1	C5	179.5°	180.0°
C6	C10	C9	H3	179.7°	180.0°
C10	C6	N8	H8	180.0°	180.0°
C10	C6	N8	H9	60.0°	0.0°
C11	C4	C1	C6	0.1°	0.0°
C11	C4	C1	N2	179.2°	180.0°
C11	C4	C1	C5	179.1°	180.0°
C11	C4	N2	N3	178.9°	180.0°
C4	C11	C9	H3	179.9°	180.0°
N8	C6	C1	C4	179.0°	180.0°
N8	C6	C1	C5	0.1°	0.0°
N8	C6	C10	H2	1.2°	0.0°
C6	N8	H8	H9	120.0°	180.0°
C6	C1	C4	C5	179.2°	180.0°
C6	C1	C4	N2	179.3°	180.0°
C6	C1	C5	C7	178.5°	180.0°
C6	C1	C5	H1	1.5°	0.0°
C1	C6	C10	H2	179.5°	180.0°
C1	C6	N8	H8	0.7°	0.0°
C1	C6	N8	H9	119.3°	180.0°
C1	C4	N2	N3	0.4°	0.0°
C4	C1	C5	C7	0.7°	0.0°
C4	C1	C5	H1	179.3°	180.0°
C1	C4	C11	H7	179.7°	180.0°
N2	C4	C1	C5	0.1°	0.0°
C4	N2	N3	C7	0.2°	0.0°
N2	C4	C11	H7	0.4°	0.0°
C1	C5	C7	N3	1.2°	0.0°
C1	C5	C7	H1	180.0°	180.0°
C1	C5	C7	C12	176.8°	180.0°
N2	N3	C7	C5	1.0°	0.0°
N2	N3	C7	C12	177.1°	180.0°
N3	C7	C5	C12	178.0°	180.0°
N3	C7	C5	H1	178.8°	180.0°
N3	C7	C12	H4	0.0°	90.0°
N3	C7	C12	H5	120.0°	150.0°
N3	C7	C12	H6	120.0°	30.0°
C5	C7	C12	H4	178.2°	90.0°
C5	C7	C12	H5	58.2°	30.0°
C5	C7	C12	H6	61.8°	150.0°
C12	C7	C5	H1	3.2°	0.0°
C7	C12	H4	H5	120.0°	120.0°
C7	C12	H4	H6	120.0°	120.0°
C7	C12	H5	H6	120.0°	120.0°
H2	C10	C9	H3	0.4°	0.0°
H3	C9	C11	H7	0.1°	0.0°
H4	C12	H5	H6	120.0°	120.0°

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