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Summary Geometry Related PDB entries

34A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.40Å	1.44Å
N1	HN11	sing	0.97Å	1.02Å
N1	HN12	sing	0.97Å	1.02Å
C1	C2	doub	1.39Å	1.43Å	Aromatic
C1	C6	sing	1.39Å	1.37Å	Aromatic
C2	C3	sing	1.38Å	1.37Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.44Å	Aromatic
C4	C7	sing	1.51Å	1.53Å
C5	C6	doub	1.38Å	1.42Å	Aromatic
C5	C8	sing	1.51Å	1.51Å
C6	H6	sing	1.08Å	1.10Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.12Å
C7	H73	sing	1.09Å	1.12Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
C8	H83	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	HN11	108.7°	120.0°
C1	N1	HN12	119.1°	120.0°
N1	C1	C2	119.1°	120.1°
N1	C1	C6	120.7°	120.1°
HN11	N1	HN12	108.8°	120.0°
C2	C1	C6	120.3°	119.8°
C1	C2	C3	120.4°	119.9°
C1	C2	H2	122.0°	120.0°
C1	C6	C5	119.8°	119.9°
C1	C6	H6	118.3°	120.0°
C3	C2	H2	117.6°	120.1°
C2	C3	C4	121.0°	120.1°
C2	C3	H3	118.4°	120.0°
C4	C3	H3	120.6°	119.9°
C3	C4	C5	118.9°	120.1°
C3	C4	C7	119.7°	119.9°
C5	C4	C7	121.4°	120.0°
C4	C5	C6	119.5°	120.1°
C4	C5	C8	119.6°	119.9°
C4	C7	H71	108.5°	109.5°
C4	C7	H72	119.7°	109.4°
C4	C7	H73	108.6°	109.5°
C6	C5	C8	120.9°	119.9°
C5	C6	H6	121.9°	120.1°
C5	C8	H81	108.6°	109.5°
C5	C8	H82	119.6°	109.5°
C5	C8	H83	108.6°	109.5°
H71	C7	H72	108.6°	109.5°
H71	C7	H73	101.4°	109.4°
H72	C7	H73	108.5°	109.6°
H81	C8	H82	108.6°	109.4°
H81	C8	H83	101.4°	109.4°
H82	C8	H83	108.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	HN11	HN12	131.1°	180.0°
N1	C1	C2	C6	179.9°	180.0°
N1	C1	C2	C3	179.9°	180.0°
N1	C1	C2	H2	0.0°	0.0°
N1	C1	C6	C5	179.8°	179.8°
N1	C1	C6	H6	0.1°	0.0°
HN11	N1	C1	C2	54.7°	0.0°
HN11	N1	C1	C6	125.2°	180.0°
HN12	N1	C1	C2	180.0°	180.0°
HN12	N1	C1	C6	0.1°	0.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	180.0°
C2	C1	C6	C5	0.2°	0.2°
C2	C1	C6	H6	179.8°	179.9°
C6	C1	C2	C3	0.1°	0.0°
C6	C1	C2	H2	179.9°	180.0°
C1	C6	C5	C4	0.2°	0.4°
C1	C6	C5	H6	180.0°	179.8°
C1	C6	C5	C8	179.9°	179.9°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	C7	179.8°	180.0°
H2	C2	C3	C4	180.0°	180.0°
H2	C2	C3	H3	0.1°	0.0°
C3	C4	C5	C7	179.8°	179.8°
C3	C4	C5	C6	0.0°	0.4°
C3	C4	C5	C8	179.9°	180.0°
C3	C4	C7	H71	54.7°	90.0°
C3	C4	C7	H72	180.0°	150.1°
C3	C4	C7	H73	54.7°	30.0°
H3	C3	C4	C5	179.9°	179.8°
H3	C3	C4	C7	0.3°	0.0°
C4	C5	C6	C8	179.9°	179.6°
C4	C5	C6	H6	179.8°	179.7°
C5	C4	C7	H71	125.1°	90.2°
C5	C4	C7	H72	0.2°	29.7°
C5	C4	C7	H73	125.4°	149.8°
C4	C5	C8	H81	54.7°	90.5°
C4	C5	C8	H82	180.0°	29.5°
C4	C5	C8	H83	54.7°	149.6°
C7	C4	C5	C6	179.8°	179.8°
C7	C4	C5	C8	0.2°	0.2°
C4	C7	H71	H72	131.6°	119.9°
C4	C7	H71	H73	114.3°	120.0°
C4	C7	H72	H73	125.3°	120.0°
C6	C5	C8	H81	125.3°	89.9°
C6	C5	C8	H82	0.1°	150.1°
C6	C5	C8	H83	125.2°	30.0°
C8	C5	C6	H6	0.1°	0.1°
C5	C8	H81	H82	131.5°	120.0°
C5	C8	H81	H83	114.3°	120.0°
C5	C8	H82	H83	125.3°	120.1°
H71	C7	H72	H73	109.4°	120.0°
H81	C8	H82	H83	109.5°	119.9°

226707

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