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Summary Geometry Related PDB entries

9TT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	N1	sing	1.47Å	1.45Å
N1	C8	sing	1.37Å	1.37Å	Aromatic
N1	C6	sing	1.38Å	1.36Å	Aromatic
C8	C7	doub	1.34Å	1.35Å	Aromatic
C6	C1	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.41Å	1.40Å	Aromatic
C1	C2	sing	1.38Å	1.37Å	Aromatic
C7	C5	sing	1.46Å	1.43Å	Aromatic
C5	C4	doub	1.40Å	1.40Å	Aromatic
C2	C3	doub	1.39Å	1.40Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C3	N2	sing	1.40Å	1.40Å
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
N2	H7	sing	0.97Å	1.00Å
N2	H8	sing	0.97Å	1.00Å
C1	H9	sing	1.08Å	1.08Å
C2	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N1	C8	127.5°	125.1°
C9	N1	C6	123.4°	125.0°
N1	C9	H4	109.5°	109.5°
N1	C9	H5	109.5°	109.5°
N1	C9	H6	109.5°	109.4°
C8	N1	C6	109.1°	109.9°
N1	C8	C7	109.4°	109.9°
N1	C8	H3	125.3°	125.0°
N1	C6	C1	129.7°	133.3°
N1	C6	C5	107.6°	107.1°
C8	C7	C5	107.3°	107.1°
C8	C7	H2	126.4°	126.5°
C7	C8	H3	125.3°	125.1°
C1	C6	C5	122.7°	119.6°
C6	C1	C2	117.2°	120.0°
C6	C1	H9	121.4°	120.0°
C6	C5	C7	106.6°	106.1°
C6	C5	C4	118.9°	120.0°
C1	C2	C3	121.1°	120.6°
C2	C1	H9	121.4°	120.0°
C1	C2	H10	119.4°	119.6°
C7	C5	C4	134.4°	134.0°
C5	C7	H2	126.4°	126.4°
C5	C4	C3	118.7°	119.6°
C5	C4	H1	120.6°	120.2°
C2	C3	C4	121.4°	120.2°
C2	C3	N2	118.4°	119.9°
C3	C2	H10	119.5°	119.7°
C4	C3	N2	120.2°	119.9°
C3	C4	H1	120.7°	120.2°
C3	N2	H7	109.5°	120.1°
C3	N2	H8	109.5°	120.0°
H4	C9	H5	109.5°	109.5°
H4	C9	H6	109.5°	109.4°
H5	C9	H6	109.5°	109.5°
H7	N2	H8	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	N1	C8	C6	179.6°	179.9°
C9	N1	C8	C7	179.2°	179.9°
C9	N1	C6	C1	0.6°	0.0°
C9	N1	C6	C5	178.6°	179.9°
C9	N1	C8	H3	0.8°	0.2°
N1	C9	H4	H5	120.0°	120.0°
N1	C9	H4	H6	120.0°	120.0°
N1	C9	H5	H6	120.0°	120.0°
N1	C8	C7	H3	180.0°	179.9°
C8	N1	C6	C1	179.8°	179.9°
C8	N1	C6	C5	1.0°	0.0°
N1	C8	C7	C5	0.4°	0.1°
N1	C8	C7	H2	179.6°	180.0°
C8	N1	C9	H4	180.0°	89.9°
C8	N1	C9	H5	60.0°	150.1°
C8	N1	C9	H6	60.0°	30.1°
C6	N1	C8	C7	0.4°	0.0°
N1	C6	C1	C5	179.0°	179.9°
N1	C6	C1	C2	179.2°	179.7°
N1	C6	C5	C7	1.3°	0.0°
N1	C6	C5	C4	179.9°	180.0°
C6	N1	C8	H3	179.6°	179.9°
C6	N1	C9	H4	0.5°	90.0°
C6	N1	C9	H5	119.5°	30.0°
C6	N1	C9	H6	120.5°	150.0°
N1	C6	C1	H9	0.7°	0.0°
C8	C7	C5	C6	1.0°	0.1°
C8	C7	C5	H2	180.0°	180.0°
C8	C7	C5	C4	179.4°	180.0°
C6	C1	C2	H9	180.0°	179.7°
C1	C6	C5	C7	179.5°	180.0°
C1	C6	C5	C4	0.9°	0.1°
C6	C1	C2	C3	0.7°	0.5°
C6	C1	C2	H10	179.3°	180.0°
C5	C6	C1	C2	0.2°	0.3°
C6	C5	C7	C4	178.3°	179.9°
C6	C5	C4	C3	0.6°	0.0°
C6	C5	C4	H1	179.3°	179.8°
C6	C5	C7	H2	179.0°	180.0°
C5	C6	C1	H9	179.7°	179.9°
C1	C2	C3	H10	180.0°	179.5°
C1	C2	C3	C4	1.0°	0.5°
C1	C2	C3	N2	178.5°	179.5°
C7	C5	C4	C3	178.8°	179.9°
C7	C5	C4	H1	1.2°	0.4°
C5	C7	C8	H3	179.6°	180.0°
C5	C4	C3	C2	0.3°	0.2°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	N2	179.2°	179.8°
C4	C5	C7	H2	0.6°	0.1°
C2	C3	C4	N2	179.5°	180.0°
C2	C3	C4	H1	179.7°	179.9°
C2	C3	N2	H7	180.0°	180.0°
C2	C3	N2	H8	60.0°	0.1°
C3	C2	C1	H9	179.3°	179.7°
C4	C3	N2	H7	0.5°	0.0°
C4	C3	N2	H8	120.5°	179.9°
C4	C3	C2	H10	179.0°	180.0°
N2	C3	C4	H1	0.8°	0.1°
C3	N2	H7	H8	120.0°	179.9°
N2	C3	C2	H10	1.5°	0.0°
H2	C7	C8	H3	0.4°	0.1°
H4	C9	H5	H6	120.0°	120.0°
H9	C1	C2	H10	0.7°	0.2°

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