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Summary Geometry Related PDB entries

1ON

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.40Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
O10	C7	doub	1.21Å	1.22Å
C6	C7	sing	1.47Å	1.49Å
C6	C5	doub	1.40Å	1.37Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.51Å	1.51Å
C5	C4	sing	1.38Å	1.39Å	Aromatic
C5	C9	sing	1.51Å	1.52Å
C8	C9	sing	1.54Å	1.54Å
C8	H1	sing	1.09Å	1.10Å
C9	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C3	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	116.9°	120.0°
C1	C2	C3	120.8°	120.2°
C2	C1	H3	121.5°	120.0°
C1	C2	H4	119.7°	119.9°
C1	C6	C7	129.5°	130.0°
C1	C6	C5	122.5°	119.4°
C6	C1	H3	121.5°	120.0°
C2	C3	C4	121.1°	120.2°
C3	C2	H4	119.6°	119.9°
C2	C3	H6	119.5°	119.9°
O10	C7	C6	125.6°	126.0°
O10	C7	C8	124.6°	125.9°
C7	C6	C5	108.0°	110.6°
C6	C7	C8	109.8°	108.1°
C6	C5	C4	121.2°	119.9°
C6	C5	C9	112.6°	109.6°
C3	C4	C5	117.5°	120.3°
C3	C4	H5	121.2°	119.8°
C4	C3	H6	119.5°	119.9°
C7	C8	C9	104.3°	105.3°
C7	C8	H1	110.7°	110.3°
C7	C8	H7	110.7°	110.3°
C4	C5	C9	126.2°	130.5°
C5	C4	H5	121.2°	119.8°
C5	C9	C8	105.2°	106.3°
C5	C9	H2	110.5°	110.1°
C5	C9	H8	110.5°	110.1°
C9	C8	H1	110.7°	110.3°
C8	C9	H2	110.5°	110.1°
C9	C8	H7	110.7°	110.3°
C8	C9	H8	110.5°	110.0°
H1	C8	H7	109.5°	110.3°
H2	C9	H8	109.5°	110.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H3	180.0°	180.0°
C1	C2	C3	H4	180.0°	180.0°
C2	C1	C6	C7	180.0°	180.0°
C2	C1	C6	C5	0.1°	0.2°
C1	C2	C3	C4	0.0°	0.2°
C1	C2	C3	H6	180.0°	180.0°
C6	C1	C2	C3	0.0°	0.0°
C1	C6	C7	O10	1.6°	0.1°
C1	C6	C7	C5	179.9°	179.8°
C1	C6	C7	C8	178.8°	179.7°
C1	C6	C5	C4	0.0°	0.1°
C1	C6	C5	C9	179.9°	179.7°
C6	C1	C2	H4	180.0°	180.0°
C2	C3	C4	H6	180.0°	179.8°
C2	C3	C4	C5	0.0°	0.3°
C3	C2	C1	H3	180.0°	180.0°
C2	C3	C4	H5	179.9°	179.8°
O10	C7	C6	C8	179.6°	179.7°
O10	C7	C6	C5	178.4°	179.9°
O10	C7	C8	C9	177.8°	180.0°
O10	C7	C8	H1	63.0°	61.1°
O10	C7	C8	H7	58.7°	61.0°
C7	C6	C5	C4	180.0°	179.9°
C7	C6	C5	C9	0.1°	0.4°
C6	C7	C8	C9	1.8°	0.3°
C6	C7	C8	H1	117.4°	119.2°
C7	C6	C1	H3	0.0°	0.0°
C6	C7	C8	H7	121.0°	118.7°
C6	C5	C4	C3	0.0°	0.1°
C5	C6	C7	C8	1.3°	0.5°
C6	C5	C4	C9	179.9°	179.5°
C6	C5	C9	C8	1.0°	0.2°
C6	C5	C9	H2	118.3°	119.5°
C5	C6	C1	H3	180.0°	179.8°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C9	H8	120.3°	118.9°
C3	C4	C5	H5	180.0°	179.9°
C3	C4	C5	C9	179.9°	179.4°
C4	C3	C2	H4	180.0°	179.8°
C7	C8	C9	C5	1.6°	0.0°
C7	C8	C9	H1	119.2°	118.9°
C7	C8	C9	H7	119.2°	119.0°
C7	C8	H1	H7	122.4°	122.1°
C7	C8	C9	H2	117.7°	119.2°
C7	C8	C9	H8	121.0°	119.3°
C4	C5	C9	C8	178.9°	179.8°
C4	C5	C9	H2	61.8°	61.0°
C5	C4	C3	H6	180.0°	179.9°
C4	C5	C9	H8	59.5°	60.6°
C5	C9	C8	H2	119.3°	119.2°
C5	C9	C8	H8	119.3°	119.2°
C5	C9	C8	H1	117.5°	119.0°
C5	C9	H2	H8	121.9°	121.6°
C9	C5	C4	H5	0.1°	0.5°
C5	C9	C8	H7	120.8°	118.9°
C9	C8	H1	H7	122.4°	122.1°
C8	C9	H2	H8	122.0°	121.5°
H1	C8	C9	H2	123.1°	0.2°
H1	C8	C9	H8	1.8°	121.8°
H2	C9	C8	H7	1.5°	121.9°
H3	C1	C2	H4	0.0°	0.0°
H4	C2	C3	H6	0.0°	0.0°
H5	C4	C3	H6	0.1°	0.0°
H7	C8	C9	H8	119.9°	0.3°

223166

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