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Summary Geometry Related PDB entries

DQC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	0.00Å
O2	C2	doub	1.22Å	0.00Å
C1	C2	sing	1.49Å	0.00Å
C1	N1	sing	1.35Å	0.00Å
C2	N2	sing	1.35Å	0.00Å
N1	C3	sing	1.39Å	0.00Å
N2	C4	sing	1.39Å	0.00Å
C3	C4	doub	1.40Å	0.00Å	Aromatic
C3	C5	sing	1.39Å	0.00Å	Aromatic
C4	C6	sing	1.39Å	0.00Å	Aromatic
C5	C7	doub	1.39Å	0.00Å	Aromatic
C6	C8	doub	1.38Å	0.00Å	Aromatic
C7	C8	sing	1.40Å	0.00Å	Aromatic
C7	C9	sing	1.43Å	0.00Å
C8	N4	sing	1.48Å	0.00Å
C9	N8	trip	1.14Å	0.00Å
N4	O4	doub	1.22Å	0.00Å
N4	O6	sing	1.22Å	0.00Å
N2	HN2	sing	0.97Å	0.00Å
N1	HN1	sing	0.97Å	0.00Å
C5	H5	sing	1.08Å	0.00Å
C6	H6	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	90.0°	120.4°
O1	C1	N1	90.0°	120.3°
O2	C2	C1	90.0°	120.3°
O2	C2	N2	90.0°	120.3°
C2	C1	N1	90.0°	119.3°
C1	C2	N2	90.0°	119.4°
C1	N1	C3	90.0°	120.1°
C1	N1	HN1	90.0°	120.0°
C2	N2	C4	90.0°	120.2°
C2	N2	HN2	90.0°	119.9°
N1	C3	C4	90.0°	120.6°
N1	C3	C5	90.0°	119.6°
C3	N1	HN1	90.0°	120.0°
N2	C4	C3	90.0°	120.5°
N2	C4	C6	90.0°	119.5°
C4	N2	HN2	90.0°	119.9°
C4	C3	C5	90.0°	119.8°
C3	C4	C6	90.0°	120.0°
C3	C5	C7	90.0°	119.9°
C3	C5	H5	90.0°	120.0°
C4	C6	C8	90.0°	120.2°
C4	C6	H6	90.0°	119.9°
C5	C7	C8	90.0°	119.9°
C5	C7	C9	90.0°	120.0°
C7	C5	H5	90.0°	120.1°
C6	C8	C7	90.0°	120.1°
C6	C8	N4	90.0°	119.9°
C8	C6	H6	90.0°	119.9°
C8	C7	C9	90.0°	120.0°
C7	C8	N4	90.0°	120.0°
C7	C9	N8	90.0°	180.0°
C8	N4	O4	90.0°	120.0°
C8	N4	O6	90.0°	120.0°
O4	N4	O6	90.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O2	90.0°	0.1°
O1	C1	C2	N1	90.0°	179.7°
O1	C1	C2	N2	90.0°	180.0°
O1	C1	N1	C3	90.0°	180.0°
O1	C1	N1	HN1	90.0°	0.0°
O2	C2	C1	N2	90.0°	179.9°
O2	C2	C1	N1	90.0°	179.8°
O2	C2	N2	C4	90.0°	180.0°
O2	C2	N2	HN2	90.0°	0.1°
C2	C1	N1	C3	90.0°	0.2°
C1	C2	N2	C4	90.0°	0.0°
C1	C2	N2	HN2	90.0°	180.0°
C2	C1	N1	HN1	90.0°	179.7°
N1	C1	C2	N2	90.0°	0.3°
C1	N1	C3	HN1	90.0°	180.0°
C1	N1	C3	C4	90.0°	0.0°
C1	N1	C3	C5	90.0°	180.0°
C2	N2	C4	HN2	90.0°	180.0°
C2	N2	C4	C3	90.0°	0.2°
C2	N2	C4	C6	90.0°	180.0°
N1	C3	C4	N2	90.0°	0.3°
N1	C3	C4	C5	90.0°	180.0°
N1	C3	C4	C6	90.0°	180.0°
N1	C3	C5	C7	90.0°	180.0°
N1	C3	C5	H5	90.0°	0.0°
N2	C4	C3	C6	90.0°	179.8°
N2	C4	C3	C5	90.0°	179.7°
N2	C4	C6	C8	90.0°	180.0°
N2	C4	C6	H6	90.0°	0.1°
C4	C3	C5	C7	90.0°	0.0°
C3	C4	C6	C8	90.0°	0.2°
C3	C4	N2	HN2	90.0°	179.7°
C4	C3	N1	HN1	90.0°	180.0°
C4	C3	C5	H5	90.0°	180.0°
C3	C4	C6	H6	90.0°	179.7°
C5	C3	C4	C6	90.0°	0.0°
C3	C5	C7	H5	90.0°	180.0°
C3	C5	C7	C8	90.0°	0.3°
C3	C5	C7	C9	90.0°	180.0°
C5	C3	N1	HN1	90.0°	0.0°
C4	C6	C8	H6	90.0°	179.9°
C4	C6	C8	C7	90.0°	0.6°
C4	C6	C8	N4	90.0°	180.0°
C6	C4	N2	HN2	90.0°	0.0°
C5	C7	C8	C6	90.0°	0.6°
C5	C7	C8	C9	90.0°	179.7°
C5	C7	C8	N4	90.0°	180.0°
C5	C7	C9	N8	90.0°	135.1°
C6	C8	C7	N4	90.0°	179.4°
C6	C8	C7	C9	90.0°	179.7°
C6	C8	N4	O4	90.0°	0.0°
C6	C8	N4	O6	90.0°	180.0°
C8	C7	C9	N8	90.0°	45.3°
C7	C8	N4	O4	90.0°	179.4°
C7	C8	N4	O6	90.0°	0.6°
C8	C7	C5	H5	90.0°	179.7°
C7	C8	C6	H6	90.0°	179.4°
C9	C7	C8	N4	90.0°	0.3°
C9	C7	C5	H5	90.0°	0.0°
C8	N4	O4	O6	90.0°	180.0°
N4	C8	C6	H6	90.0°	0.1°

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