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Summary Geometry Related PDB entries

K3C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	doub	1.34Å	1.34Å
C2	C1	sing	1.48Å	1.43Å
C3	C4	sing	1.48Å	1.43Å
O1	C1	doub	1.22Å	1.28Å
C1	C12	sing	1.47Å	1.43Å
C4	O2	doub	1.21Å	1.30Å
C4	C5	sing	1.49Å	1.47Å
C12	C5	doub	1.36Å	1.39Å
C5	C6	sing	1.48Å	1.49Å
C6	C7	doub	1.40Å	1.40Å	Aromatic
C6	C11	sing	1.40Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	121.5°	120.2°
C2	C3	C4	121.4°	120.1°
C2	C3	H1	119.3°	119.9°
C3	C2	H8	119.2°	119.9°
C2	C1	O1	120.5°	119.9°
C2	C1	C12	118.9°	120.2°
C1	C2	H8	119.2°	119.9°
C3	C4	O2	118.9°	120.1°
C3	C4	C5	118.5°	119.8°
C4	C3	H1	119.3°	120.0°
O1	C1	C12	120.6°	119.9°
C1	C12	C5	121.0°	119.9°
C1	C12	H7	119.5°	120.0°
O2	C4	C5	122.7°	120.1°
C4	C5	C12	118.7°	119.7°
C4	C5	C6	122.1°	120.1°
C12	C5	C6	119.2°	120.2°
C5	C12	H7	119.5°	120.0°
C5	C6	C7	122.4°	120.2°
C5	C6	C11	120.1°	120.1°
C7	C6	C11	117.5°	119.7°
C6	C7	C8	121.0°	119.8°
C6	C7	H2	119.5°	120.1°
C6	C11	C10	121.0°	119.8°
C6	C11	H6	119.5°	120.1°
C7	C8	C9	120.3°	120.2°
C8	C7	H2	119.5°	120.1°
C7	C8	H3	119.9°	119.9°
C11	C10	C9	120.3°	120.1°
C11	C10	H5	119.8°	119.9°
C10	C11	H6	119.5°	120.1°
C8	C9	C10	119.9°	120.4°
C9	C8	H3	119.8°	119.9°
C8	C9	H4	120.1°	119.8°
C10	C9	H4	120.0°	119.8°
C9	C10	H5	119.9°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H8	180.0°	180.0°
C2	C3	C4	H1	180.0°	179.7°
C3	C2	C1	O1	178.9°	179.7°
C3	C2	C1	C12	0.9°	0.6°
C2	C3	C4	O2	179.8°	179.7°
C2	C3	C4	C5	0.1°	0.4°
C1	C2	C3	C4	0.4°	0.0°
C2	C1	O1	C12	179.9°	179.2°
C2	C1	C12	C5	1.1°	0.9°
C1	C2	C3	H1	179.5°	179.7°
C2	C1	C12	H7	178.8°	180.0°
C3	C4	O2	C5	179.7°	180.0°
C3	C4	C5	C12	0.3°	0.0°
C3	C4	C5	C6	179.5°	179.4°
C4	C3	C2	H8	179.5°	180.0°
O1	C1	C12	C5	178.8°	180.0°
O1	C1	C12	H7	1.3°	0.8°
O1	C1	C2	H8	1.1°	0.2°
C1	C12	C5	C4	0.8°	0.6°
C1	C12	C5	H7	180.0°	179.2°
C1	C12	C5	C6	178.9°	180.0°
C12	C1	C2	H8	179.0°	179.4°
O2	C4	C5	C12	180.0°	180.0°
O2	C4	C5	C6	0.2°	0.5°
O2	C4	C3	H1	0.2°	0.0°
C4	C5	C12	C6	179.7°	179.5°
C4	C5	C6	C7	0.8°	65.5°
C4	C5	C6	C11	179.1°	115.0°
C5	C4	C3	H1	179.9°	180.0°
C4	C5	C12	H7	179.2°	179.7°
C12	C5	C6	C7	178.9°	115.0°
C12	C5	C6	C11	1.1°	64.5°
C5	C6	C7	C11	179.9°	179.5°
C5	C6	C7	C8	179.9°	180.0°
C5	C6	C11	C10	179.9°	180.0°
C5	C6	C7	H2	0.1°	0.3°
C5	C6	C11	H6	0.1°	0.2°
C6	C5	C12	H7	1.1°	0.8°
C6	C7	C8	H2	180.0°	179.7°
C7	C6	C11	C10	0.0°	0.5°
C6	C7	C8	C9	0.0°	0.3°
C6	C7	C8	H3	180.0°	179.7°
C7	C6	C11	H6	180.0°	179.7°
C11	C6	C7	C8	0.0°	0.5°
C6	C11	C10	H6	180.0°	179.8°
C6	C11	C10	C9	0.0°	0.3°
C11	C6	C7	H2	180.0°	179.8°
C6	C11	C10	H5	180.0°	179.8°
C7	C8	C9	H3	180.0°	179.9°
C7	C8	C9	C10	0.0°	0.1°
C7	C8	C9	H4	180.0°	180.0°
C11	C10	C9	C8	0.0°	0.1°
C11	C10	C9	H5	180.0°	179.9°
C11	C10	C9	H4	180.0°	180.0°
C8	C9	C10	H4	180.0°	179.9°
C9	C8	C7	H2	180.0°	180.0°
C8	C9	C10	H5	179.9°	180.0°
C10	C9	C8	H3	180.0°	180.0°
C9	C10	C11	H6	180.0°	179.9°
H1	C3	C2	H8	0.5°	0.3°
H2	C7	C8	H3	0.0°	0.0°
H3	C8	C9	H4	0.0°	0.0°
H4	C9	C10	H5	0.0°	0.0°
H5	C10	C11	H6	0.0°	0.0°

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PDB entries from 2024-07-10

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