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Summary Geometry Related PDB entries

MUA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.34Å	1.37Å	Aromatic
N1	C6	sing	1.35Å	1.38Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C2	O2	doub	1.22Å	1.21Å
C2	N3	sing	1.35Å	1.40Å	Aromatic
N3	C4	sing	1.38Å	1.33Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C4	C5	doub	1.37Å	1.37Å	Aromatic
C4	N9	sing	1.37Å	1.51Å	Aromatic
C5	C6	sing	1.41Å	1.46Å	Aromatic
C5	N7	sing	1.40Å	1.34Å	Aromatic
C6	O6	doub	1.22Å	1.22Å
N7	C8	sing	1.35Å	1.40Å	Aromatic
N7	HN7	sing	0.97Å	1.02Å
C8	N9	sing	1.35Å	1.39Å	Aromatic
C8	O8	doub	1.22Å	1.20Å
N9	C10	sing	1.47Å	1.55Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.11Å
C10	H103	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	127.4°	120.6°
C2	N1	HN1	116.2°	119.7°
N1	C2	O2	120.2°	119.3°
N1	C2	N3	118.6°	121.3°
C6	N1	HN1	116.5°	119.7°
N1	C6	C5	111.7°	119.2°
N1	C6	O6	122.6°	120.4°
O2	C2	N3	121.2°	119.4°
C2	N3	C4	116.6°	120.3°
C2	N3	HN3	124.1°	119.9°
C4	N3	HN3	119.3°	119.9°
N3	C4	C5	125.9°	119.3°
N3	C4	N9	127.4°	133.2°
C5	C4	N9	106.7°	107.5°
C4	C5	C6	119.7°	119.3°
C4	C5	N7	109.7°	107.2°
C4	N9	C8	104.4°	108.8°
C4	N9	C10	124.9°	125.6°
C6	C5	N7	130.6°	133.5°
C5	C6	O6	125.7°	120.4°
C5	N7	C8	110.6°	107.6°
C5	N7	HN7	111.8°	126.3°
C8	N7	HN7	111.8°	126.1°
N7	C8	N9	108.5°	108.9°
N7	C8	O8	126.0°	125.6°
N9	C8	O8	125.5°	125.5°
C8	N9	C10	130.6°	125.6°
N9	C10	H101	125.0°	109.4°
N9	C10	H102	106.8°	109.4°
N9	C10	H103	106.7°	109.5°
H101	C10	H102	106.8°	109.5°
H101	C10	H103	106.7°	109.5°
H102	C10	H103	102.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	HN1	179.9°	179.8°
N1	C2	O2	N3	179.7°	180.0°
N1	C2	N3	C4	2.6°	0.0°
N1	C2	N3	HN3	177.5°	179.9°
C2	N1	C6	C5	1.5°	0.4°
C2	N1	C6	O6	178.9°	180.0°
C6	N1	C2	O2	179.0°	179.8°
C6	N1	C2	N3	0.7°	0.2°
N1	C6	C5	C4	2.0°	0.4°
N1	C6	C5	O6	179.6°	179.6°
N1	C6	C5	N7	177.6°	179.9°
HN1	N1	C2	O2	1.0°	0.0°
HN1	N1	C2	N3	179.3°	180.0°
HN1	N1	C6	C5	178.4°	179.8°
HN1	N1	C6	O6	1.2°	0.2°
O2	C2	N3	C4	177.1°	180.0°
O2	C2	N3	HN3	2.8°	0.1°
C2	N3	C4	HN3	179.9°	179.9°
C2	N3	C4	C5	2.2°	0.0°
C2	N3	C4	N9	178.0°	179.6°
N3	C4	C5	N9	179.9°	179.7°
N3	C4	C5	C6	0.2°	0.2°
N3	C4	C5	N7	179.5°	180.0°
N3	C4	N9	C8	179.4°	180.0°
N3	C4	N9	C10	0.9°	0.2°
HN3	N3	C4	C5	177.9°	179.9°
HN3	N3	C4	N9	2.0°	0.5°
C4	C5	C6	N7	179.6°	179.7°
C4	C5	C6	O6	178.4°	180.0°
C4	C5	N7	C8	0.3°	0.2°
C4	C5	N7	HN7	125.6°	179.8°
C5	C4	N9	C8	0.7°	0.4°
C5	C4	N9	C10	179.0°	179.9°
N9	C4	C5	C6	179.7°	179.9°
N9	C4	C5	N7	0.6°	0.3°
C4	N9	C8	N7	0.6°	0.2°
C4	N9	C8	C10	179.7°	179.8°
C4	N9	C8	O8	178.8°	179.8°
C4	N9	C10	H101	180.0°	179.8°
C4	N9	C10	H102	54.7°	60.3°
C4	N9	C10	H103	54.8°	59.7°
C6	C5	N7	C8	179.9°	180.0°
C6	C5	N7	HN7	54.7°	0.1°
N7	C5	C6	O6	1.9°	0.3°
C5	N7	C8	HN7	125.3°	180.0°
C5	N7	C8	N9	0.2°	0.0°
C5	N7	C8	O8	179.2°	180.0°
N7	C8	N9	O8	179.4°	180.0°
N7	C8	N9	C10	179.1°	180.0°
HN7	N7	C8	N9	125.0°	180.0°
HN7	N7	C8	O8	55.6°	0.0°
C8	N9	C10	H101	0.4°	0.0°
C8	N9	C10	H102	124.9°	120.0°
C8	N9	C10	H103	125.6°	120.0°
O8	C8	N9	C10	1.5°	0.0°
N9	C10	H101	H102	125.3°	120.0°
N9	C10	H101	H103	125.2°	120.0°
N9	C10	H102	H103	112.2°	120.0°
H101	C10	H102	H103	112.1°	120.1°

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