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Summary Geometry Related PDB entries

A8K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C7	sing	1.36Å	1.39Å
C7	C6	doub	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.39Å	1.39Å	Aromatic
C9	C4	sing	1.39Å	1.39Å	Aromatic
C4	S	sing	1.76Å	1.78Å
S	C3	sing	1.76Å	1.78Å
C3	C10	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C11	C	doub	1.39Å	1.39Å	Aromatic
C1	C	sing	1.39Å	1.39Å	Aromatic
C	O	sing	1.36Å	1.38Å
C11	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.08Å	1.08Å
O1	H9	sing	0.97Å	0.95Å
O	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C7	C6	121.0°	120.0°
O1	C7	C8	119.8°	120.0°
C7	O1	H9	109.5°	114.0°
C6	C7	C8	119.2°	120.0°
C7	C6	C5	120.3°	120.1°
C7	C6	H6	119.8°	119.9°
C7	C8	C9	120.3°	120.0°
C7	C8	H4	119.8°	119.9°
C6	C5	C4	120.6°	120.0°
C6	C5	H5	119.7°	120.1°
C5	C6	H6	119.9°	120.0°
C8	C9	C4	120.6°	120.0°
C8	C9	H3	119.7°	120.0°
C9	C8	H4	119.8°	120.1°
C5	C4	C9	119.0°	119.9°
C5	C4	S	121.3°	120.0°
C4	C5	H5	119.7°	119.9°
C9	C4	S	119.7°	120.0°
C4	C9	H3	119.7°	120.0°
C4	S	C3	106.4°	103.0°
S	C3	C10	120.5°	120.0°
S	C3	C2	120.2°	120.0°
C10	C3	C2	119.3°	120.0°
C3	C10	C11	120.4°	120.0°
C3	C10	H2	119.8°	120.0°
C3	C2	C1	120.3°	120.0°
C3	C2	H7	119.8°	120.0°
C10	C11	C	120.4°	120.0°
C10	C11	H1	119.8°	120.0°
C11	C10	H2	119.8°	120.0°
C2	C1	C	120.4°	120.0°
C1	C2	H7	119.8°	120.0°
C2	C1	H8	119.8°	120.0°
C11	C	C1	119.2°	120.0°
C11	C	O	120.5°	120.0°
C	C11	H1	119.8°	120.0°
C1	C	O	120.4°	120.0°
C	C1	H8	119.8°	120.0°
C	O	H10	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C7	C6	C8	179.8°	180.0°
O1	C7	C6	C5	179.5°	179.7°
O1	C7	C8	C9	179.9°	180.0°
O1	C7	C8	H4	0.1°	0.0°
O1	C7	C6	H6	0.5°	0.0°
C7	C6	C5	H6	180.0°	179.7°
C6	C7	C8	C9	0.3°	0.0°
C7	C6	C5	C4	0.0°	0.6°
C6	C7	C8	H4	179.7°	180.0°
C7	C6	C5	H5	180.0°	180.0°
C6	C7	O1	H9	180.0°	90.0°
C8	C7	C6	C5	0.3°	0.3°
C7	C8	C9	H4	180.0°	180.0°
C7	C8	C9	C4	1.1°	0.0°
C7	C8	C9	H3	178.9°	179.7°
C8	C7	C6	H6	179.7°	179.9°
C8	C7	O1	H9	0.2°	90.0°
C6	C5	C4	H5	180.0°	179.4°
C6	C5	C4	C9	0.8°	0.6°
C6	C5	C4	S	179.1°	179.4°
C8	C9	C4	C5	1.4°	0.3°
C8	C9	C4	H3	180.0°	179.7°
C8	C9	C4	S	179.6°	179.7°
C5	C4	C9	S	178.3°	180.0°
C5	C4	S	C3	44.7°	94.8°
C5	C4	C9	H3	178.6°	180.0°
C4	C5	C6	H6	180.0°	179.8°
C9	C4	S	C3	137.1°	85.2°
C4	C9	C8	H4	178.9°	180.0°
C9	C4	C5	H5	179.1°	180.0°
C4	S	C3	C10	36.1°	5.6°
C4	S	C3	C2	145.8°	174.4°
S	C4	C9	H3	0.3°	0.0°
S	C4	C5	H5	0.9°	0.0°
S	C3	C10	C2	178.1°	180.0°
S	C3	C10	C11	178.9°	180.0°
S	C3	C2	C1	179.4°	180.0°
S	C3	C10	H2	1.1°	0.0°
S	C3	C2	H7	0.6°	0.1°
C3	C10	C11	H2	180.0°	180.0°
C10	C3	C2	C1	1.3°	0.0°
C3	C10	C11	C	0.0°	0.0°
C3	C10	C11	H1	180.0°	179.7°
C10	C3	C2	H7	178.7°	179.9°
C2	C3	C10	C11	0.8°	0.0°
C3	C2	C1	H7	180.0°	179.9°
C3	C2	C1	C	1.0°	0.0°
C2	C3	C10	H2	179.2°	180.0°
C3	C2	C1	H8	179.0°	180.0°
C10	C11	C	H1	180.0°	179.7°
C10	C11	C	C1	0.3°	0.0°
C10	C11	C	O	179.7°	179.7°
C2	C1	C	C11	0.2°	0.0°
C2	C1	C	H8	180.0°	180.0°
C2	C1	C	O	179.8°	179.7°
C11	C	C1	O	180.0°	179.7°
C	C11	C10	H2	180.0°	180.0°
C11	C	C1	H8	179.8°	180.0°
C11	C	O	H10	180.0°	90.1°
C1	C	C11	H1	179.7°	179.7°
C	C1	C2	H7	179.0°	179.9°
C1	C	O	H10	0.0°	90.2°
O	C	C11	H1	0.3°	0.0°
O	C	C1	H8	0.2°	0.3°
H1	C11	C10	H2	0.0°	0.2°
H3	C9	C8	H4	1.2°	0.3°
H5	C5	C6	H6	0.0°	0.4°
H7	C2	C1	H8	1.1°	0.1°

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PDB entries from 2024-07-10

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