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Summary Geometry Related PDB entries

Q6O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.43Å	0.00Å
O	C1	sing	1.36Å	0.00Å
C1	C2	sing	1.39Å	0.00Å	Aromatic
C2	C3	doub	1.39Å	0.00Å	Aromatic
N	C3	sing	1.40Å	0.00Å
C4	N	sing	1.35Å	0.00Å
O1	C4	doub	1.21Å	0.00Å
C5	C4	sing	1.51Å	0.00Å
C3	C6	sing	1.39Å	0.00Å	Aromatic
O2	C6	sing	1.36Å	0.00Å
C7	O2	sing	1.43Å	0.00Å
C6	C8	doub	1.39Å	0.00Å	Aromatic
C8	C9	sing	1.38Å	0.00Å	Aromatic
C1	C9	doub	1.39Å	0.00Å	Aromatic
C9	CL	sing	1.74Å	0.00Å
C5	H6	sing	1.09Å	0.00Å
C5	H7	sing	1.09Å	0.00Å
C5	H5	sing	1.09Å	0.00Å
C7	H8	sing	1.09Å	0.00Å
C7	H9	sing	1.09Å	0.00Å
C7	H10	sing	1.09Å	0.00Å
C8	H11	sing	1.08Å	0.00Å
N	H4	sing	0.97Å	0.00Å
C	H2	sing	1.09Å	0.00Å
C	H	sing	1.09Å	0.00Å
C	H1	sing	1.09Å	0.00Å
C2	H3	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	O	C1	90.0°	117.0°
O	C	H2	90.0°	109.5°
O	C	H	90.0°	109.5°
O	C	H1	90.0°	109.5°
O	C1	C2	90.0°	120.0°
O	C1	C9	90.0°	120.0°
C1	C2	C3	90.0°	120.0°
C2	C1	C9	90.0°	120.0°
C1	C2	H3	90.0°	120.0°
C2	C3	N	90.0°	120.0°
C2	C3	C6	90.0°	119.9°
C3	C2	H3	90.0°	120.0°
C3	N	C4	90.0°	120.0°
N	C3	C6	90.0°	120.0°
C3	N	H4	90.0°	119.9°
N	C4	O1	90.0°	120.0°
N	C4	C5	90.0°	120.0°
C4	N	H4	90.0°	120.0°
O1	C4	C5	90.0°	120.0°
C4	C5	H6	90.0°	109.4°
C4	C5	H7	90.0°	109.5°
C4	C5	H5	90.0°	109.5°
C3	C6	O2	90.0°	120.1°
C3	C6	C8	90.0°	119.9°
C6	O2	C7	90.0°	117.0°
O2	C6	C8	90.0°	120.0°
O2	C7	H8	90.0°	109.5°
O2	C7	H9	90.0°	109.5°
O2	C7	H10	90.0°	109.5°
C6	C8	C9	90.0°	120.0°
C6	C8	H11	90.0°	120.0°
C8	C9	C1	90.0°	120.1°
C8	C9	CL	90.0°	119.9°
C9	C8	H11	90.0°	120.0°
C1	C9	CL	90.0°	119.9°
H6	C5	H7	90.0°	109.5°
H6	C5	H5	90.0°	109.5°
H7	C5	H5	90.0°	109.5°
H8	C7	H9	90.0°	109.5°
H8	C7	H10	90.0°	109.4°
H9	C7	H10	90.0°	109.5°
H2	C	H	90.0°	109.4°
H2	C	H1	90.0°	109.4°
H	C	H1	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	O	C1	C2	90.0°	0.0°
C	O	C1	C9	90.0°	180.0°
O	C	H2	H	90.0°	120.0°
O	C	H2	H1	90.0°	120.0°
O	C	H	H1	90.0°	120.0°
O	C1	C2	C9	90.0°	179.9°
O	C1	C2	C3	90.0°	180.0°
O	C1	C9	C8	90.0°	180.0°
O	C1	C9	CL	90.0°	0.1°
C1	O	C	H2	90.0°	180.0°
C1	O	C	H	90.0°	60.0°
C1	O	C	H1	90.0°	60.0°
O	C1	C2	H3	90.0°	0.0°
C1	C2	C3	H3	90.0°	180.0°
C1	C2	C3	N	90.0°	179.9°
C1	C2	C3	C6	90.0°	0.0°
C2	C1	C9	C8	90.0°	0.0°
C2	C1	C9	CL	90.0°	180.0°
C2	C3	N	C6	90.0°	179.9°
C2	C3	N	C4	90.0°	24.7°
C2	C3	C6	O2	90.0°	179.8°
C2	C3	C6	C8	90.0°	0.0°
C3	C2	C1	C9	90.0°	0.0°
C2	C3	N	H4	90.0°	155.2°
C3	N	C4	H4	90.0°	179.9°
C3	N	C4	O1	90.0°	5.5°
C3	N	C4	C5	90.0°	174.3°
N	C3	C6	O2	90.0°	0.3°
N	C3	C6	C8	90.0°	179.9°
N	C3	C2	H3	90.0°	0.1°
N	C4	O1	C5	90.0°	179.8°
C4	N	C3	C6	90.0°	155.2°
N	C4	C5	H6	90.0°	90.0°
N	C4	C5	H7	90.0°	150.0°
N	C4	C5	H5	90.0°	30.0°
O1	C4	C5	H6	90.0°	90.2°
O1	C4	C5	H7	90.0°	29.8°
O1	C4	C5	H5	90.0°	149.8°
O1	C4	N	H4	90.0°	174.6°
C4	C5	H6	H7	90.0°	120.0°
C4	C5	H6	H5	90.0°	120.0°
C4	C5	H7	H5	90.0°	120.0°
C5	C4	N	H4	90.0°	5.6°
C3	C6	O2	C8	90.0°	179.7°
C3	C6	O2	C7	90.0°	179.7°
C3	C6	C8	C9	90.0°	0.0°
C3	C6	C8	H11	90.0°	179.9°
C6	C3	N	H4	90.0°	24.8°
C6	C3	C2	H3	90.0°	180.0°
O2	C6	C8	C9	90.0°	179.8°
C6	O2	C7	H8	90.0°	60.0°
C6	O2	C7	H9	90.0°	180.0°
C6	O2	C7	H10	90.0°	59.9°
O2	C6	C8	H11	90.0°	0.3°
C7	O2	C6	C8	90.0°	0.0°
O2	C7	H8	H9	90.0°	120.0°
O2	C7	H8	H10	90.0°	120.0°
O2	C7	H9	H10	90.0°	120.0°
C6	C8	C9	H11	90.0°	179.9°
C6	C8	C9	C1	90.0°	0.0°
C6	C8	C9	CL	90.0°	180.0°
C8	C9	C1	CL	90.0°	180.0°
C1	C9	C8	H11	90.0°	179.9°
C9	C1	C2	H3	90.0°	180.0°
CL	C9	C8	H11	90.0°	0.1°
H6	C5	H7	H5	90.0°	120.0°
H8	C7	H9	H10	90.0°	120.0°
H2	C	H	H1	90.0°	119.9°

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PDB entries from 2024-10-09

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