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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.51Å	1.50Å
C3	N1	doub	1.31Å	1.32Å	Aromatic
C3	C2	sing	1.39Å	1.41Å	Aromatic
N1	C5	sing	1.34Å	1.37Å	Aromatic
C2	C1	doub	1.38Å	1.37Å	Aromatic
C5	C10	doub	1.41Å	1.41Å	Aromatic
C5	C6	sing	1.42Å	1.41Å	Aromatic
C10	C9	sing	1.36Å	1.36Å	Aromatic
C1	C6	sing	1.41Å	1.42Å	Aromatic
C1	O1	sing	1.36Å	1.35Å
C6	C7	doub	1.40Å	1.41Å	Aromatic
C9	C8	doub	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.36Å	1.35Å	Aromatic
C8	F1	sing	1.35Å	1.36Å
C10	H8	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	N1	117.1°	119.1°
C4	C3	C2	119.9°	119.1°
C3	C4	H3	109.5°	109.5°
C3	C4	H4	109.5°	109.5°
C3	C4	H5	109.5°	109.4°
N1	C3	C2	123.1°	121.8°
C3	N1	C5	119.1°	121.6°
C3	C2	C1	118.6°	119.7°
C3	C2	H2	120.7°	120.1°
N1	C5	C10	119.1°	121.0°
N1	C5	C6	121.6°	119.9°
C2	C1	C6	120.2°	117.9°
C2	C1	O1	120.7°	121.0°
C1	C2	H2	120.7°	120.2°
C10	C5	C6	119.2°	119.0°
C5	C10	C9	120.5°	119.8°
C5	C10	H8	119.7°	120.1°
C5	C6	C1	117.4°	118.9°
C5	C6	C7	119.0°	119.7°
C10	C9	C8	119.2°	121.0°
C9	C10	H8	119.8°	120.1°
C10	C9	H7	120.4°	119.5°
C6	C1	O1	119.1°	121.0°
C1	C6	C7	123.6°	121.3°
C1	O1	H1	109.5°	114.0°
C6	C7	C8	119.0°	119.6°
C6	C7	H6	120.5°	120.2°
C9	C8	C7	123.0°	120.7°
C9	C8	F1	117.7°	119.6°
C8	C9	H7	120.4°	119.5°
C7	C8	F1	119.3°	119.6°
C8	C7	H6	120.5°	120.2°
H3	C4	H4	109.5°	109.5°
H3	C4	H5	109.5°	109.5°
H4	C4	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	N1	C2	179.3°	180.0°
C4	C3	N1	C5	180.0°	179.7°
C4	C3	C2	C1	179.8°	180.0°
C4	C3	C2	H2	0.3°	0.0°
C3	C4	H3	H4	120.0°	120.0°
C3	C4	H3	H5	120.0°	120.0°
C3	C4	H4	H5	120.0°	120.0°
N1	C3	C2	C1	0.5°	0.0°
C3	N1	C5	C10	179.4°	179.9°
C3	N1	C5	C6	0.4°	0.6°
N1	C3	C2	H2	179.5°	180.0°
N1	C3	C4	H3	0.0°	90.0°
N1	C3	C4	H4	120.0°	150.0°
N1	C3	C4	H5	120.0°	30.0°
C2	C3	N1	C5	0.7°	0.3°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C6	0.1°	0.0°
C3	C2	C1	O1	179.3°	179.7°
C2	C3	C4	H3	179.3°	90.0°
C2	C3	C4	H4	59.3°	30.0°
C2	C3	C4	H5	60.7°	150.0°
N1	C5	C10	C6	179.8°	179.4°
N1	C5	C10	C9	179.4°	179.4°
N1	C5	C6	C1	0.1°	0.5°
N1	C5	C6	C7	179.9°	179.4°
N1	C5	C10	H8	0.6°	0.6°
C2	C1	C6	C5	0.4°	0.3°
C2	C1	C6	O1	179.2°	179.7°
C2	C1	C6	C7	179.6°	179.7°
C2	C1	O1	H1	180.0°	89.7°
C5	C10	C9	H8	180.0°	180.0°
C10	C5	C6	C1	179.9°	180.0°
C10	C5	C6	C7	0.1°	0.0°
C5	C10	C9	C8	1.0°	0.0°
C5	C10	C9	H7	179.0°	180.0°
C6	C5	C10	C9	0.4°	0.0°
C5	C6	C1	C7	180.0°	180.0°
C5	C6	C1	O1	179.6°	180.0°
C5	C6	C7	C8	0.0°	0.0°
C6	C5	C10	H8	179.6°	180.0°
C5	C6	C7	H6	180.0°	179.9°
C10	C9	C8	H7	180.0°	180.0°
C10	C9	C8	C7	1.1°	0.0°
C10	C9	C8	F1	179.8°	180.0°
C1	C6	C7	C8	180.0°	179.9°
C6	C1	C2	H2	179.9°	180.0°
C1	C6	C7	H6	0.0°	0.0°
C6	C1	O1	H1	0.8°	90.0°
O1	C1	C6	C7	0.4°	0.1°
O1	C1	C2	H2	0.7°	0.3°
C6	C7	C8	C9	0.6°	0.0°
C6	C7	C8	H6	180.0°	179.9°
C6	C7	C8	F1	179.7°	180.0°
C9	C8	C7	F1	179.1°	180.0°
C8	C9	C10	H8	179.0°	180.0°
C9	C8	C7	H6	179.4°	179.9°
C7	C8	C9	H7	178.9°	180.0°
F1	C8	C7	H6	0.3°	0.1°
F1	C8	C9	H7	0.2°	0.0°
H8	C10	C9	H7	1.0°	0.0°
H3	C4	H4	H5	120.0°	120.0°

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