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Summary Geometry Related PDB entries

8P7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	doub	1.40Å	1.39Å	Aromatic
C7	C6	sing	1.37Å	1.38Å	Aromatic
N2	C8	sing	1.36Å	1.37Å	Aromatic
N2	C2	doub	1.30Å	1.36Å	Aromatic
C8	C3	sing	1.41Å	1.39Å	Aromatic
C6	C5	doub	1.39Å	1.40Å	Aromatic
C1	C2	sing	1.51Å	1.49Å
C2	N1	sing	1.36Å	1.32Å	Aromatic
C3	N1	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.37Å	Aromatic
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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	C6	120.0°	119.9°
C7	C8	N2	133.5°	133.6°
C7	C8	C3	119.6°	119.5°
C8	C7	H5	120.0°	120.1°
C7	C6	C5	120.3°	120.7°
C7	C6	H4	119.9°	119.7°
C6	C7	H5	120.0°	120.0°
C8	N2	C2	108.4°	109.6°
N2	C8	C3	106.8°	106.9°
N2	C2	C1	125.3°	124.9°
N2	C2	N1	109.2°	110.2°
C8	C3	N1	106.5°	106.0°
C8	C3	C4	120.2°	119.8°
C6	C5	C4	120.0°	120.4°
C6	C5	H3	120.0°	119.8°
C5	C6	H4	119.8°	119.6°
C1	C2	N1	125.5°	124.9°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.5°	109.4°
C2	C1	H8	109.5°	109.5°
C2	N1	C3	109.1°	107.3°
C2	N1	H1	125.5°	126.3°
N1	C3	C4	133.4°	134.1°
C3	N1	H1	125.5°	126.4°
C3	C4	C5	119.8°	119.7°
C3	C4	H2	120.1°	120.2°
C5	C4	H2	120.1°	120.1°
C4	C5	H3	120.0°	119.8°
H6	C1	H7	109.5°	109.5°
H6	C1	H8	109.4°	109.5°
H7	C1	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	C6	H5	180.0°	179.9°
C7	C8	N2	C3	179.8°	180.0°
C7	C8	N2	C2	179.7°	180.0°
C8	C7	C6	C5	0.0°	0.0°
C7	C8	C3	N1	179.9°	179.8°
C7	C8	C3	C4	0.1°	0.0°
C8	C7	C6	H4	180.0°	180.0°
C6	C7	C8	N2	179.9°	179.9°
C6	C7	C8	C3	0.1°	0.0°
C7	C6	C5	H4	180.0°	180.0°
C7	C6	C5	C4	0.2°	0.0°
C7	C6	C5	H3	179.8°	179.9°
C8	N2	C2	C1	179.9°	179.8°
C8	N2	C2	N1	0.3°	0.1°
N2	C8	C3	N1	0.1°	0.2°
N2	C8	C3	C4	180.0°	179.9°
N2	C8	C7	H5	0.1°	0.0°
C2	N2	C8	C3	0.1°	0.0°
N2	C2	C1	N1	179.7°	179.9°
N2	C2	N1	C3	0.4°	0.2°
N2	C2	N1	H1	179.6°	180.0°
N2	C2	C1	H6	0.0°	89.9°
N2	C2	C1	H7	120.0°	30.1°
N2	C2	C1	H8	120.0°	150.0°
C8	C3	N1	C2	0.3°	0.2°
C8	C3	N1	C4	179.9°	179.7°
C8	C3	C4	C5	0.0°	0.0°
C8	C3	N1	H1	179.7°	180.0°
C8	C3	C4	H2	180.0°	180.0°
C3	C8	C7	H5	179.9°	180.0°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	H2	179.8°	180.0°
C5	C6	C7	H5	179.9°	180.0°
C1	C2	N1	C3	179.9°	179.7°
C1	C2	N1	H1	0.1°	0.1°
C2	C1	H6	H7	120.0°	120.0°
C2	C1	H6	H8	120.0°	120.0°
C2	C1	H7	H8	120.0°	120.0°
C2	N1	C3	H1	180.0°	179.8°
C2	N1	C3	C4	179.8°	180.0°
N1	C2	C1	H6	179.7°	90.0°
N1	C2	C1	H7	60.3°	150.0°
N1	C2	C1	H8	59.8°	30.1°
N1	C3	C4	C5	179.9°	179.8°
N1	C3	C4	H2	0.1°	0.2°
C3	C4	C5	H2	180.0°	180.0°
C4	C3	N1	H1	0.2°	0.2°
C3	C4	C5	H3	179.8°	179.9°
C4	C5	C6	H4	179.8°	180.0°
H2	C4	C5	H3	0.2°	0.1°
H3	C5	C6	H4	0.2°	0.0°
H4	C6	C7	H5	0.0°	0.1°
H6	C1	H7	H8	119.9°	120.0°

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