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Summary Geometry Related PDB entries

Obsolete: QX

QX was replaced with QUI on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.34Å	1.31Å	Aromatic
N1	C10	sing	1.35Å	1.35Å	Aromatic
C2	C3	sing	1.37Å	1.40Å	Aromatic
C2	C11	sing	1.45Å	1.49Å
C3	N4	doub	1.35Å	1.33Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
N4	C9	sing	1.34Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.36Å	Aromatic
C5	C9	sing	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
C6	C7	sing	1.39Å	1.43Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	C8	doub	1.39Å	1.35Å	Aromatic
C7	H7	sing	1.09Å	1.08Å
C8	C10	sing	1.39Å	1.41Å	Aromatic
C8	H8	sing	1.09Å	1.08Å
C9	C10	doub	1.41Å	1.44Å	Aromatic
C11	O12	doub	1.24Å	1.23Å
C11	O13	sing	1.36Å	18.50Å
O13	H13	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C10	117.9°	117.7°
N1	C2	C3	122.9°	121.6°
N1	C2	C11	117.7°	116.7°
N1	C10	C8	121.2°	120.2°
N1	C10	C9	120.1°	120.6°
C3	C2	C11	119.4°	121.6°
C2	C3	N4	121.8°	121.5°
C2	C3	H3	119.1°	122.7°
C2	C11	O12	123.6°	125.6°
C2	C11	O13	102.1°	112.6°
N4	C3	H3	119.1°	115.8°
C3	N4	C9	116.8°	117.8°
N4	C9	C5	122.1°	120.3°
N4	C9	C10	120.4°	120.7°
C6	C5	C9	122.5°	121.4°
C6	C5	H5	118.8°	118.8°
C5	C6	C7	120.0°	119.6°
C5	C6	H6	120.0°	120.2°
C9	C5	H5	118.8°	119.8°
C5	C9	C10	117.5°	119.0°
C7	C6	H6	120.0°	120.3°
C6	C7	C8	118.8°	119.5°
C6	C7	H7	120.6°	120.3°
C8	C7	H7	120.6°	120.2°
C7	C8	C10	122.5°	121.4°
C7	C8	H8	118.8°	118.8°
C10	C8	H8	118.8°	119.9°
C8	C10	C9	118.7°	119.2°
O12	C11	O13	121.8°	121.8°
C11	O13	H13	102.1°	113.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	C11	177.4°	180.0°
N1	C2	C3	N4	2.2°	0.1°
N1	C2	C3	H3	177.8°	180.0°
C2	N1	C10	C8	178.7°	180.0°
C2	N1	C10	C9	2.5°	0.0°
N1	C2	C11	O12	174.0°	180.0°
N1	C2	C11	O13	31.9°	0.1°
C10	N1	C2	C3	1.0°	0.0°
C10	N1	C2	C11	176.4°	180.0°
N1	C10	C9	N4	1.0°	0.1°
N1	C10	C9	C5	179.3°	180.0°
N1	C10	C8	C7	177.3°	180.0°
N1	C10	C8	C9	178.9°	180.0°
N1	C10	C8	H8	2.7°	0.0°
C2	C3	N4	H3	180.0°	179.9°
C2	C3	N4	C9	3.5°	0.1°
C3	C2	C11	O12	3.5°	0.0°
C3	C2	C11	O13	145.6°	179.9°
C11	C2	C3	N4	179.6°	180.0°
C11	C2	C3	H3	0.4°	0.0°
C2	C11	O12	O13	135.0°	179.9°
C2	C11	O13	H13	180.0°	180.0°
C3	N4	C9	C5	176.2°	180.0°
C3	N4	C9	C10	2.0°	0.1°
H3	C3	N4	C9	176.4°	180.0°
N4	C9	C5	C6	177.4°	180.0°
N4	C9	C5	C10	178.2°	179.9°
N4	C9	C5	H5	2.6°	0.1°
N4	C9	C10	C8	179.9°	180.0°
C6	C5	C9	H5	180.0°	179.9°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.3°	0.0°
C5	C6	C7	H7	179.8°	180.0°
C6	C5	C9	C10	0.8°	0.0°
C9	C5	C6	C7	1.7°	0.0°
C9	C5	C6	H6	178.3°	180.0°
C5	C9	C10	C8	1.9°	0.0°
H5	C5	C6	C7	178.3°	180.0°
H5	C5	C6	H6	1.7°	0.0°
H5	C5	C9	C10	179.2°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C10	3.0°	0.0°
C6	C7	C8	H8	176.9°	180.0°
H6	C6	C7	C8	179.8°	180.0°
H6	C6	C7	H7	0.2°	0.0°
C7	C8	C10	H8	180.0°	180.0°
C7	C8	C10	C9	3.9°	0.0°
H7	C7	C8	C10	177.0°	180.0°
H7	C7	C8	H8	3.0°	0.0°
H8	C8	C10	C9	176.1°	180.0°
O12	C11	O13	H13	37.0°	0.0°

222415

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