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Summary Geometry Related PDB entries

MAQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.43Å	Aromatic
C1	C6	sing	1.39Å	1.44Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C9	sing	1.51Å	1.55Å
C2	C3	sing	1.39Å	1.45Å	Aromatic
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.11Å
C3	N3	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.41Å	1.45Å	Aromatic
N3	C8	sing	1.36Å	1.32Å	Aromatic
N3	H3	sing	0.97Å	1.02Å
C8	N2	sing	1.37Å	1.32Å
C8	N1	doub	1.32Å	1.35Å	Aromatic
N2	H21	sing	0.97Å	1.02Å
N2	H22	sing	0.97Å	1.02Å
N1	C7	sing	1.34Å	1.34Å	Aromatic
C7	O1	doub	1.22Å	1.23Å
C7	C4	sing	1.47Å	1.55Å	Aromatic
C4	C5	sing	1.39Å	1.43Å	Aromatic
C5	C6	doub	1.38Å	1.43Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	121.7°	120.7°
C2	C1	H1	119.1°	119.7°
C1	C2	C9	122.8°	120.1°
C1	C2	C3	118.8°	119.7°
C6	C1	H1	119.2°	119.7°
C1	C6	C5	119.5°	120.5°
C1	C6	H6	120.3°	119.8°
C9	C2	C3	118.4°	120.1°
C2	C9	H91	107.4°	109.5°
C2	C9	H92	122.8°	109.5°
C2	C9	H93	107.5°	109.5°
C2	C3	N3	121.6°	121.8°
C2	C3	C4	119.4°	119.7°
H91	C9	H92	107.5°	109.4°
H91	C9	H93	102.3°	109.4°
H92	C9	H93	107.5°	109.6°
N3	C3	C4	119.0°	118.5°
C3	N3	C8	123.5°	120.3°
C3	N3	H3	107.2°	119.9°
C3	C4	C7	114.4°	118.1°
C3	C4	C5	120.7°	120.0°
C8	N3	H3	107.2°	119.8°
N3	C8	N2	119.0°	118.5°
N3	C8	N1	121.5°	123.0°
N2	C8	N1	119.5°	118.5°
C8	N2	H21	108.8°	120.0°
C8	N2	H22	119.0°	120.0°
C8	N1	C7	122.9°	121.7°
H21	N2	H22	108.8°	120.0°
N1	C7	O1	123.8°	120.8°
N1	C7	C4	118.6°	118.4°
O1	C7	C4	117.6°	120.8°
C7	C4	C5	124.9°	121.9°
C4	C5	C6	119.9°	119.5°
C4	C5	H5	119.9°	120.3°
C6	C5	H5	120.1°	120.3°
C5	C6	H6	120.2°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	180.0°
C1	C2	C9	C3	179.9°	179.8°
C1	C2	C9	H91	54.8°	90.0°
C1	C2	C9	H92	180.0°	150.1°
C1	C2	C9	H93	54.7°	30.0°
C1	C2	C3	N3	179.9°	179.8°
C1	C2	C3	C4	0.1°	0.4°
C2	C1	C6	C5	0.0°	0.0°
C2	C1	C6	H6	180.0°	180.0°
C6	C1	C2	C9	180.0°	180.0°
C6	C1	C2	C3	0.1°	0.2°
C1	C6	C5	C4	0.0°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	180.0°	180.0°
H1	C1	C2	C9	0.0°	0.0°
H1	C1	C2	C3	179.9°	179.8°
H1	C1	C6	C5	179.9°	180.0°
H1	C1	C6	H6	0.0°	0.0°
C2	C9	H91	H92	134.0°	120.0°
C2	C9	H91	H93	113.0°	120.0°
C2	C9	H92	H93	125.3°	120.1°
C9	C2	C3	N3	0.0°	0.4°
C9	C2	C3	C4	180.0°	179.8°
C3	C2	C9	H91	125.4°	90.2°
C3	C2	C9	H92	0.1°	29.7°
C3	C2	C9	H93	125.1°	149.8°
C2	C3	N3	C4	180.0°	179.4°
C2	C3	N3	C8	179.9°	179.8°
C2	C3	N3	H3	54.8°	0.4°
C2	C3	C4	C7	179.9°	179.8°
C2	C3	C4	C5	0.1°	0.4°
H91	C9	H92	H93	109.5°	120.0°
C3	N3	C8	H3	125.2°	179.8°
C3	N3	C8	N2	179.9°	179.8°
C3	N3	C8	N1	0.0°	0.2°
N3	C3	C4	C7	0.1°	0.4°
N3	C3	C4	C5	179.9°	179.8°
C4	C3	N3	C8	0.1°	0.4°
C4	C3	N3	H3	125.2°	179.8°
C3	C4	C7	N1	0.0°	0.2°
C3	C4	C7	O1	179.9°	179.8°
C3	C4	C7	C5	179.8°	179.8°
C3	C4	C5	C6	0.1°	0.2°
C3	C4	C5	H5	179.9°	179.8°
N3	C8	N2	N1	179.8°	180.0°
N3	C8	N2	H21	54.7°	180.0°
N3	C8	N2	H22	180.0°	0.0°
N3	C8	N1	C7	0.2°	0.0°
H3	N3	C8	N2	54.9°	0.0°
H3	N3	C8	N1	125.3°	180.0°
C8	N2	H21	H22	131.0°	180.0°
N2	C8	N1	C7	180.0°	180.0°
N1	C8	N2	H21	125.4°	0.0°
N1	C8	N2	H22	0.2°	180.0°
C8	N1	C7	O1	180.0°	180.0°
C8	N1	C7	C4	0.1°	0.0°
N1	C7	O1	C4	179.9°	180.0°
N1	C7	C4	C5	179.8°	180.0°
O1	C7	C4	C5	0.1°	0.0°
C7	C4	C5	C6	179.9°	180.0°
C7	C4	C5	H5	0.1°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	180.0°	180.0°
H5	C5	C6	H6	0.0°	0.0°

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