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Summary Geometry Related PDB entries

HO6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	doub	1.38Å	1.41Å	Aromatic
C1	C2	sing	1.38Å	1.41Å	Aromatic
C1	CL	sing	1.51Å	1.69Å
N2	N1	doub	1.28Å	1.37Å	Aromatic
N1	C8	sing	1.33Å	1.43Å	Aromatic
O1	C9	doub	1.22Å	1.24Å
C7	S1	sing	1.76Å	1.84Å
S1	C4	sing	1.76Å	1.78Å
C3	C2	doub	1.38Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N2	S2	sing	1.70Å	1.69Å	Aromatic
C9	O2	sing	1.35Å	1.23Å
O2	HO2	sing	0.97Å	0.95Å
S2	C7	sing	1.72Å	1.69Å	Aromatic
C4	C3	sing	1.39Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C4	doub	1.39Å	1.42Å	Aromatic
C5	C6	sing	1.38Å	1.42Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	C7	doub	1.39Å	1.33Å	Aromatic
C8	C9	sing	1.47Å	1.42Å
CL	HL	sing	1.09Å	1.10Å
CL	HLA	sing	1.09Å	1.10Å
CL	HLB	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	121.3°	120.1°
C6	C1	CL	117.6°	120.0°
C1	C6	C5	118.9°	120.1°
C1	C6	H6	120.5°	120.0°
C2	C1	CL	121.1°	119.9°
C1	C2	C3	119.0°	120.1°
C1	C2	H2	120.5°	119.9°
C1	CL	HL	109.5°	109.4°
C1	CL	HLA	109.4°	109.4°
C1	CL	HLB	109.5°	109.4°
N2	N1	C8	109.5°	118.8°
N1	N2	S2	113.4°	107.4°
N1	C8	C7	112.9°	114.4°
N1	C8	C9	116.6°	122.8°
O1	C9	O2	123.6°	120.0°
O1	C9	C8	119.6°	120.0°
C7	S1	C4	104.9°	100.0°
S1	C7	S2	120.0°	127.8°
S1	C7	C8	119.1°	127.8°
S1	C4	C3	119.8°	120.1°
S1	C4	C5	120.6°	120.1°
C3	C2	H2	120.5°	120.0°
C2	C3	C4	120.8°	119.9°
C2	C3	H3	119.6°	120.1°
N2	S2	C7	90.3°	95.0°
C9	O2	HO2	109.5°	117.0°
O2	C9	C8	116.8°	120.0°
S2	C7	C8	113.0°	104.3°
C4	C3	H3	119.6°	120.0°
C3	C4	C5	119.6°	119.9°
C4	C5	C6	120.3°	119.9°
C4	C5	H5	119.8°	120.0°
C6	C5	H5	119.9°	120.1°
C5	C6	H6	120.5°	119.9°
C7	C8	C9	130.5°	122.8°
HL	CL	HLA	109.5°	109.5°
HL	CL	HLB	109.4°	109.5°
HLA	CL	HLB	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	CL	179.8°	179.7°
C6	C1	C2	C3	0.2°	0.3°
C6	C1	C2	H2	179.8°	179.7°
C1	C6	C5	C4	0.2°	0.5°
C1	C6	C5	H6	180.0°	179.5°
C1	C6	C5	H5	179.8°	179.7°
C6	C1	CL	HL	89.9°	90.3°
C6	C1	CL	HLA	150.1°	29.7°
C6	C1	CL	HLB	30.1°	149.7°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	H3	179.9°	180.0°
C2	C1	C6	C5	0.1°	0.5°
C2	C1	C6	H6	179.9°	180.0°
C2	C1	CL	HL	89.9°	90.0°
C2	C1	CL	HLA	30.1°	150.0°
C2	C1	CL	HLB	150.1°	30.0°
CL	C1	C2	C3	179.6°	180.0°
CL	C1	C2	H2	0.4°	0.0°
CL	C1	C6	C5	179.7°	179.8°
CL	C1	C6	H6	0.3°	0.3°
C1	CL	HL	HLA	120.0°	119.9°
C1	CL	HL	HLB	120.0°	120.0°
C1	CL	HLA	HLB	120.0°	120.0°
N1	N2	S2	C7	6.1°	0.1°
N2	N1	C8	C7	5.3°	0.0°
N2	N1	C8	C9	176.0°	180.0°
N1	C8	C9	O1	1.3°	180.0°
N1	C8	C7	S1	159.4°	180.0°
C8	N1	N2	S2	1.7°	0.0°
N1	C8	C9	O2	178.9°	0.1°
N1	C8	C7	S2	10.1°	0.0°
N1	C8	C7	C9	178.4°	180.0°
O1	C9	O2	C8	179.8°	180.0°
O1	C9	O2	HO2	0.0°	0.0°
O1	C9	C8	C7	179.6°	0.0°
S1	C7	S2	N2	158.2°	180.0°
S1	C7	S2	C8	149.0°	179.9°
C7	S1	C4	C3	120.8°	85.3°
C7	S1	C4	C5	60.3°	94.8°
S1	C7	C8	C9	22.2°	0.0°
S1	C4	C3	C2	179.4°	180.0°
C4	S1	C7	S2	4.7°	5.2°
S1	C4	C3	C5	178.9°	180.0°
S1	C4	C3	H3	0.6°	0.0°
S1	C4	C5	C6	179.4°	179.8°
S1	C4	C5	H5	0.6°	0.0°
C4	S1	C7	C8	151.8°	174.7°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.4°	0.0°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	H3	0.1°	0.0°
N2	S2	C7	C8	9.3°	0.0°
O2	C9	C8	C7	0.5°	180.0°
HO2	O2	C9	C8	179.9°	180.0°
S2	C7	C8	C9	171.5°	179.9°
C3	C4	C5	C6	0.5°	0.2°
C3	C4	C5	H5	179.5°	180.0°
H3	C3	C4	C5	179.6°	180.0°
C4	C5	C6	H5	180.0°	179.8°
C4	C5	C6	H6	179.8°	180.0°
H5	C5	C6	H6	0.2°	0.2°
HL	CL	HLA	HLB	120.0°	120.1°

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PDB entries from 2024-08-14

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