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Summary Geometry Related PDB entries

SNO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.41Å	Aromatic
C1	N1	sing	1.48Å	1.49Å
C2	C3	sing	1.38Å	1.40Å	Aromatic
C2	H22	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.42Å	Aromatic
C3	H33	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.41Å	Aromatic
C4	C7	sing	1.51Å	1.49Å
C5	C6	doub	1.38Å	1.41Å	Aromatic
C5	H55	sing	1.08Å	1.10Å
C6	H66	sing	1.08Å	1.10Å
C7	C8	sing	1.53Å	1.45Å
C7	O3	sing	1.43Å	1.43Å
C7	H77	sing	1.09Å	1.11Å
C8	O3	sing	1.43Å	1.44Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
N1	O1	sing	1.22Å	1.23Å
N1	O2	doub	1.22Å	1.23Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	121.6°	120.0°
C2	C1	N1	118.9°	120.0°
C1	C2	C3	118.7°	120.0°
C1	C2	H22	120.5°	120.0°
C6	C1	N1	119.5°	120.0°
C1	C6	C5	119.0°	120.0°
C1	C6	H66	120.4°	120.0°
C1	N1	O1	118.3°	120.0°
C1	N1	O2	118.6°	120.0°
C3	C2	H22	120.9°	120.0°
C2	C3	C4	121.2°	120.0°
C2	C3	H33	118.9°	120.0°
C4	C3	H33	119.8°	120.0°
C3	C4	C5	118.9°	120.0°
C3	C4	C7	121.6°	120.0°
C5	C4	C7	119.5°	120.0°
C4	C5	C6	120.6°	120.0°
C4	C5	H55	119.6°	120.0°
C4	C7	C8	121.1°	117.8°
C4	C7	O3	117.9°	117.8°
C4	C7	H77	90.6°	115.7°
C6	C5	H55	119.8°	120.0°
C5	C6	H66	120.6°	119.9°
C8	C7	O3	59.9°	57.7°
C8	C7	H77	133.7°	117.8°
C7	C8	O3	59.6°	57.6°
C7	C8	H81	135.3°	117.8°
C7	C8	H82	135.2°	117.8°
O3	C7	H77	136.5°	117.8°
C7	O3	C8	60.6°	64.7°
O3	C8	H81	135.2°	117.8°
O3	C8	H82	135.3°	117.8°
H81	C8	H82	70.2°	115.7°
O1	N1	O2	123.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	N1	180.0°	179.7°
C1	C2	C3	H22	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	H33	179.9°	180.0°
C2	C1	C6	C5	0.0°	0.4°
C2	C1	C6	H66	180.0°	180.0°
C2	C1	N1	O1	0.0°	0.0°
C2	C1	N1	O2	180.0°	179.7°
C6	C1	C2	C3	0.1°	0.2°
C6	C1	C2	H22	179.9°	179.7°
C1	C6	C5	C4	0.1°	0.4°
C1	C6	C5	H66	180.0°	179.6°
C1	C6	C5	H55	179.9°	179.7°
C6	C1	N1	O1	180.0°	179.8°
C6	C1	N1	O2	0.0°	0.5°
N1	C1	C2	C3	179.9°	180.0°
N1	C1	C2	H22	0.1°	0.0°
N1	C1	C6	C5	180.0°	179.8°
N1	C1	C6	H66	0.0°	0.2°
C1	N1	O1	O2	180.0°	179.7°
C2	C3	C4	H33	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.1°
C2	C3	C4	C7	179.8°	180.0°
H22	C2	C3	C4	179.9°	180.0°
H22	C2	C3	H33	0.2°	0.1°
C3	C4	C5	C7	179.8°	180.0°
C3	C4	C5	C6	0.1°	0.1°
C3	C4	C5	H55	179.9°	180.0°
C3	C4	C7	C8	27.9°	101.4°
C3	C4	C7	O3	42.0°	167.5°
C3	C4	C7	H77	172.3°	45.6°
H33	C3	C4	C5	180.0°	180.0°
H33	C3	C4	C7	0.2°	0.0°
C4	C5	C6	H55	180.0°	179.9°
C4	C5	C6	H66	179.9°	180.0°
C5	C4	C7	C8	151.9°	78.6°
C5	C4	C7	O3	138.2°	12.5°
C5	C4	C7	H77	7.5°	134.4°
C7	C4	C5	C6	180.0°	179.9°
C7	C4	C5	H55	0.1°	0.0°
C4	C7	C8	O3	106.4°	106.9°
C4	C7	C8	H77	126.4°	146.2°
C4	C7	O3	H77	125.1°	146.3°
C4	C7	C8	H81	18.9°	146.3°
C4	C7	C8	H82	128.3°	0.0°
H55	C5	C6	H66	0.1°	0.1°
C8	C7	O3	H77	123.3°	106.9°
C7	C8	O3	H81	125.3°	106.8°
C7	C8	O3	H82	125.2°	106.8°
C7	C8	H81	H82	135.1°	146.9°
H77	C7	C8	H81	107.5°	0.1°
H77	C7	C8	H82	1.9°	146.2°
O3	C8	H81	H82	135.1°	147.1°

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