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Summary Geometry Related PDB entries

F06

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C1	doub	1.38Å	1.40Å	Aromatic
C3	C1	sing	1.38Å	1.40Å	Aromatic
C1	CL2	sing	1.74Å	1.73Å
C4	C3	doub	1.38Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C4	sing	1.38Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.38Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	sing	1.51Å	1.53Å
C8	S9	sing	1.81Å	1.83Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
S9	C10	sing	1.76Å	1.74Å
N12	C10	doub	1.30Å	1.35Å
C10	N11	sing	1.38Å	1.29Å
N11	HN11	sing	0.97Å	1.00Å
N11	HN1A	sing	0.97Å	1.00Å
N12	HN12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C1	C3	121.8°	120.0°
C7	C1	CL2	121.2°	120.0°
C1	C7	C6	120.8°	120.0°
C1	C7	C8	119.9°	120.0°
C3	C1	CL2	117.0°	120.0°
C1	C3	C4	117.3°	120.0°
C1	C3	H3	121.4°	120.0°
C4	C3	H3	121.3°	120.0°
C3	C4	C5	121.0°	120.0°
C3	C4	H4	119.5°	120.0°
C5	C4	H4	119.5°	120.0°
C4	C5	C6	122.1°	120.0°
C4	C5	H5	118.9°	120.0°
C6	C5	H5	119.0°	120.0°
C5	C6	C7	117.0°	120.0°
C5	C6	H6	121.5°	120.0°
C7	C6	H6	121.5°	120.0°
C6	C7	C8	119.3°	120.0°
C7	C8	S9	103.0°	109.5°
C7	C8	H8	111.7°	109.5°
C7	C8	H8A	111.7°	109.5°
S9	C8	H8	111.7°	109.5°
S9	C8	H8A	111.7°	109.5°
C8	S9	C10	104.6°	100.0°
H8	C8	H8A	107.2°	109.5°
S9	C10	N12	118.0°	120.0°
S9	C10	N11	118.3°	120.0°
N12	C10	N11	123.7°	120.0°
C10	N12	HN12	112.0°	120.0°
C10	N11	HN11	120.0°	120.0°
C10	N11	HN1A	120.0°	120.0°
HN11	N11	HN1A	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C1	C3	CL2	180.0°	179.7°
C7	C1	C3	C4	0.3°	0.3°
C7	C1	C3	H3	179.7°	179.7°
C1	C7	C6	C5	0.1°	0.5°
C1	C7	C6	C8	179.0°	179.5°
C1	C7	C6	H6	179.9°	179.7°
C1	C7	C8	S9	85.1°	90.5°
C1	C7	C8	H8	154.9°	29.5°
C1	C7	C8	H8A	34.9°	149.5°
C1	C3	C4	H3	180.0°	179.9°
C1	C3	C4	C5	0.6°	0.1°
C1	C3	C4	H4	179.4°	180.0°
C3	C1	C7	C6	0.0°	0.6°
C3	C1	C7	C8	179.0°	180.0°
CL2	C1	C3	C4	179.7°	180.0°
CL2	C1	C3	H3	0.3°	0.1°
CL2	C1	C7	C6	179.9°	179.8°
CL2	C1	C7	C8	1.0°	0.3°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.7°	0.0°
C3	C4	C5	H5	179.4°	180.0°
H3	C3	C4	C5	179.4°	180.0°
H3	C3	C4	H4	0.6°	0.1°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.4°	0.3°
C4	C5	C6	H6	179.6°	179.9°
H4	C4	C5	C6	179.3°	180.0°
H4	C4	C5	H5	0.7°	0.1°
C5	C6	C7	H6	180.0°	179.8°
C5	C6	C7	C8	179.1°	180.0°
H5	C5	C6	C7	179.6°	179.8°
H5	C5	C6	H6	0.4°	0.0°
C6	C7	C8	S9	93.9°	90.0°
C6	C7	C8	H8	26.1°	150.0°
C6	C7	C8	H8A	146.2°	30.0°
H6	C6	C7	C8	0.9°	0.2°
C7	C8	S9	H8	120.0°	120.0°
C7	C8	S9	H8A	120.0°	120.0°
C7	C8	H8	H8A	122.6°	120.0°
C7	C8	S9	C10	169.0°	180.0°
S9	C8	H8	H8A	122.7°	120.0°
C8	S9	C10	N12	8.1°	0.0°
C8	S9	C10	N11	171.9°	180.0°
H8	C8	S9	C10	49.0°	60.0°
H8A	C8	S9	C10	71.1°	60.0°
S9	C10	N12	N11	180.0°	180.0°
S9	C10	N11	HN11	180.0°	0.0°
S9	C10	N11	HN1A	0.0°	180.0°
S9	C10	N12	HN12	179.9°	180.0°
N12	C10	N11	HN11	0.0°	180.0°
N12	C10	N11	HN1A	180.0°	0.0°
C10	N11	HN11	HN1A	180.0°	180.0°
N11	C10	N12	HN12	0.0°	0.0°

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PDB entries from 2024-08-14

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