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Summary Geometry Related PDB entries

54K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3M	C3	sing	1.51Å	1.51Å
C2	C3	doub	1.36Å	1.36Å	Aromatic
C2	N1	sing	1.32Å	1.33Å	Aromatic
C3	C4	sing	1.40Å	1.40Å	Aromatic
N1	C6	doub	1.32Å	1.33Å	Aromatic
C4	N9	sing	1.35Å	1.37Å	Aromatic
C4	C5	doub	1.41Å	1.40Å	Aromatic
C6	C5	sing	1.39Å	1.40Å	Aromatic
C6	N6	sing	1.39Å	1.39Å
N9	C8	doub	1.30Å	1.36Å	Aromatic
C5	N7	sing	1.38Å	1.36Å	Aromatic
C8	N7	sing	1.36Å	1.30Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C3M	H2	sing	1.09Å	1.10Å
C3M	H3	sing	1.09Å	1.10Å
C3M	H4	sing	1.09Å	1.10Å
N6	H5	sing	0.97Å	1.00Å
N6	H6	sing	0.97Å	1.00Å
N7	H7	sing	0.97Å	1.00Å
C8	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3M	C3	C2	119.5°	120.5°
C3M	C3	C4	122.1°	120.5°
C3	C3M	H2	109.5°	109.5°
C3	C3M	H3	109.4°	109.5°
C3	C3M	H4	109.5°	109.5°
C3	C2	N1	122.1°	121.6°
C2	C3	C4	118.3°	119.0°
C3	C2	H1	118.9°	119.2°
C2	N1	C6	122.5°	122.2°
N1	C2	H1	118.9°	119.2°
C3	C4	N9	134.5°	134.7°
C3	C4	C5	119.0°	118.2°
N1	C6	C5	119.1°	120.1°
N1	C6	N6	120.9°	119.9°
N9	C4	C5	106.5°	107.1°
C4	N9	C8	107.2°	109.6°
C4	C5	C6	119.0°	119.0°
C4	C5	N7	106.9°	105.9°
C5	C6	N6	120.1°	120.0°
C6	C5	N7	134.0°	135.1°
C6	N6	H5	109.5°	120.0°
C6	N6	H6	109.5°	120.0°
N9	C8	N7	110.3°	110.1°
N9	C8	H8	124.8°	125.0°
C5	N7	C8	109.1°	107.3°
C5	N7	H7	125.5°	126.4°
C8	N7	H7	125.5°	126.4°
N7	C8	H8	124.9°	124.9°
H2	C3M	H3	109.4°	109.5°
H2	C3M	H4	109.5°	109.4°
H3	C3M	H4	109.5°	109.5°
H5	N6	H6	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3M	C3	C2	C4	179.3°	180.0°
C3M	C3	C2	N1	179.7°	180.0°
C3M	C3	C4	N9	0.3°	0.0°
C3M	C3	C4	C5	179.2°	180.0°
C3M	C3	C2	H1	0.4°	0.0°
C3	C3M	H2	H3	120.0°	120.0°
C3	C3M	H2	H4	120.0°	120.0°
C3	C3M	H3	H4	120.0°	120.0°
C3	C2	N1	H1	180.0°	180.0°
C3	C2	N1	C6	0.1°	0.0°
C2	C3	C4	N9	179.6°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C3M	H2	90.3°	90.0°
C2	C3	C3M	H3	149.7°	150.0°
C2	C3	C3M	H4	29.7°	29.9°
N1	C2	C3	C4	0.3°	0.0°
C2	N1	C6	C5	0.5°	0.0°
C2	N1	C6	N6	179.9°	180.0°
C3	C4	N9	C5	179.5°	180.0°
C3	C4	C5	C6	0.7°	0.0°
C3	C4	N9	C8	179.8°	180.0°
C3	C4	C5	N7	180.0°	180.0°
C4	C3	C2	H1	179.7°	180.0°
C4	C3	C3M	H2	90.3°	90.0°
C4	C3	C3M	H3	29.6°	30.0°
C4	C3	C3M	H4	149.7°	150.1°
N1	C6	C5	C4	0.9°	0.0°
N1	C6	C5	N6	179.4°	180.0°
N1	C6	C5	N7	180.0°	180.0°
C6	N1	C2	H1	179.9°	180.0°
N1	C6	N6	H5	0.0°	0.0°
N1	C6	N6	H6	120.0°	180.0°
N9	C4	C5	C6	179.7°	180.0°
N9	C4	C5	N7	0.3°	0.0°
C4	N9	C8	N7	0.1°	0.0°
C4	N9	C8	H8	179.9°	180.0°
C4	C5	C6	N7	179.1°	180.0°
C4	C5	C6	N6	179.7°	180.0°
C5	C4	N9	C8	0.2°	0.0°
C4	C5	N7	C8	0.3°	0.0°
C4	C5	N7	H7	179.7°	179.9°
C6	C5	N7	C8	179.5°	180.0°
C5	C6	N6	H5	179.4°	180.0°
C5	C6	N6	H6	59.4°	0.0°
C6	C5	N7	H7	0.5°	0.1°
N6	C6	C5	N7	0.6°	0.0°
C6	N6	H5	H6	120.0°	180.0°
N9	C8	N7	C5	0.1°	0.0°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	H7	179.8°	179.9°
C5	N7	C8	H7	180.0°	179.9°
C5	N7	C8	H8	179.9°	180.0°
H2	C3M	H3	H4	120.0°	120.0°
H7	N7	C8	H8	0.2°	0.1°

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