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Summary Geometry Related PDB entries

AJ2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	doub	1.39Å	1.39Å	Aromatic
C9	C10	sing	1.36Å	1.42Å	Aromatic
C8	C7	sing	1.36Å	1.41Å	Aromatic
C10	C5	doub	1.41Å	1.41Å	Aromatic
C7	C6	doub	1.40Å	1.42Å	Aromatic
C5	C6	sing	1.42Å	1.41Å	Aromatic
C5	N	sing	1.34Å	1.38Å	Aromatic
C6	C2	sing	1.41Å	1.43Å	Aromatic
N	C4	doub	1.32Å	1.36Å	Aromatic
C2	C1	sing	1.51Å	1.54Å
C2	C3	doub	1.36Å	1.40Å	Aromatic
C4	C3	sing	1.40Å	1.43Å	Aromatic
C4	O	sing	1.36Å	1.34Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
O	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C9	C10	118.2°	121.0°
C9	C8	C7	120.7°	120.8°
C9	C8	H7	119.7°	119.6°
C8	C9	H8	120.9°	119.5°
C9	C10	C5	121.6°	119.7°
C10	C9	H8	120.9°	119.5°
C9	C10	H9	119.2°	120.1°
C8	C7	C6	121.7°	119.7°
C8	C7	H6	119.2°	120.2°
C7	C8	H7	119.6°	119.6°
C10	C5	C6	120.4°	119.1°
C10	C5	N	121.0°	121.0°
C5	C10	H9	119.2°	120.1°
C7	C6	C5	117.3°	119.6°
C7	C6	C2	122.2°	121.3°
C6	C7	H6	119.1°	120.1°
C6	C5	N	118.5°	119.9°
C5	C6	C2	120.6°	119.1°
C5	N	C4	121.3°	121.2°
C6	C2	C1	122.9°	120.9°
C6	C2	C3	120.0°	118.3°
N	C4	C3	122.5°	121.7°
N	C4	O	119.4°	119.1°
C1	C2	C3	117.1°	120.8°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H4	109.5°	109.4°
C2	C3	C4	117.0°	119.8°
C2	C3	H5	121.5°	120.1°
C3	C4	O	118.0°	119.2°
C4	C3	H5	121.5°	120.1°
C4	O	H1	109.5°	114.0°
H2	C1	H3	109.5°	109.5°
H2	C1	H4	109.5°	109.5°
H3	C1	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C9	C10	H8	180.0°	180.0°
C9	C8	C7	H7	180.0°	180.0°
C8	C9	C10	C5	3.0°	0.0°
C9	C8	C7	C6	0.6°	0.1°
C9	C8	C7	H6	179.4°	180.0°
C8	C9	C10	H9	177.0°	180.0°
C10	C9	C8	C7	1.3°	0.0°
C9	C10	C5	H9	180.0°	180.0°
C9	C10	C5	C6	2.8°	0.0°
C9	C10	C5	N	179.4°	179.9°
C10	C9	C8	H7	178.7°	180.0°
C8	C7	C6	H6	180.0°	179.9°
C8	C7	C6	C5	0.8°	0.1°
C8	C7	C6	C2	179.5°	180.0°
C7	C8	C9	H8	178.7°	179.9°
C10	C5	C6	C7	0.8°	0.1°
C10	C5	C6	N	177.9°	179.9°
C10	C5	C6	C2	178.8°	180.0°
C10	C5	N	C4	179.1°	180.0°
C5	C10	C9	H8	177.0°	180.0°
C7	C6	C5	C2	179.6°	179.9°
C7	C6	C5	N	178.7°	180.0°
C7	C6	C2	C1	1.1°	0.0°
C7	C6	C2	C3	179.3°	180.0°
C6	C7	C8	H7	179.4°	180.0°
C6	C5	N	C4	1.2°	0.1°
C5	C6	C2	C1	179.3°	180.0°
C5	C6	C2	C3	0.3°	0.1°
C5	C6	C7	H6	179.2°	180.0°
C6	C5	C10	H9	177.2°	180.0°
N	C5	C6	C2	0.9°	0.1°
C5	N	C4	C3	0.9°	0.1°
C5	N	C4	O	179.4°	179.7°
N	C5	C10	H9	0.6°	0.1°
C6	C2	C1	C3	179.6°	180.0°
C6	C2	C3	C4	0.0°	0.0°
C6	C2	C1	H2	89.8°	90.0°
C6	C2	C1	H3	150.2°	150.0°
C6	C2	C1	H4	30.2°	30.0°
C6	C2	C3	H5	179.9°	179.8°
C2	C6	C7	H6	0.5°	0.0°
N	C4	C3	C2	0.3°	0.0°
N	C4	C3	O	179.6°	179.8°
N	C4	C3	H5	179.7°	179.8°
N	C4	O	H1	0.0°	89.8°
C1	C2	C3	C4	179.7°	180.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H4	120.0°	120.0°
C2	C1	H3	H4	120.0°	120.0°
C1	C2	C3	H5	0.3°	0.2°
C2	C3	C4	H5	180.0°	179.7°
C2	C3	C4	O	179.9°	179.7°
C3	C2	C1	H2	89.8°	90.0°
C3	C2	C1	H3	30.2°	30.0°
C3	C2	C1	H4	150.2°	150.0°
C3	C4	O	H1	179.6°	90.0°
O	C4	C3	H5	0.1°	0.0°
H2	C1	H3	H4	120.0°	120.0°
H6	C7	C8	H7	0.6°	0.0°
H7	C8	C9	H8	1.3°	0.0°
H8	C9	C10	H9	3.0°	0.0°

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