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Summary Geometry Related PDB entries

G8F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	S1	sing	1.66Å	1.69Å
O2	S1	doub	1.42Å	1.47Å
S1	O1	doub	1.42Å	1.46Å
S1	C1	sing	1.76Å	1.82Å
C7	O3	sing	1.43Å	1.41Å
C2	C1	doub	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
O3	C3	sing	1.36Å	1.41Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
N1	H8	sing	0.97Å	1.00Å
N1	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	S1	O2	112.8°	106.4°
N1	S1	O1	111.1°	106.4°
N1	S1	C1	105.7°	107.2°
S1	N1	H8	109.5°	120.0°
S1	N1	H9	109.5°	120.0°
O2	S1	O1	101.1°	123.2°
O2	S1	C1	111.4°	106.4°
O1	S1	C1	114.8°	106.4°
S1	C1	C2	119.5°	119.9°
S1	C1	C6	120.1°	120.0°
C7	O3	C3	116.6°	117.0°
O3	C7	H5	109.5°	109.5°
O3	C7	H6	109.4°	109.5°
O3	C7	H7	109.5°	109.5°
C1	C2	C3	120.1°	119.9°
C2	C1	C6	120.2°	120.1°
C1	C2	H1	119.9°	120.0°
C2	C3	O3	120.0°	120.1°
C2	C3	C4	119.4°	119.9°
C3	C2	H1	119.9°	120.1°
C1	C6	C5	119.9°	120.1°
C1	C6	H4	120.0°	120.0°
O3	C3	C4	120.6°	120.0°
C3	C4	C5	120.5°	119.9°
C3	C4	H2	119.7°	120.1°
C6	C5	C4	119.8°	120.1°
C6	C5	H3	120.1°	120.0°
C5	C6	H4	120.0°	119.9°
C5	C4	H2	119.7°	120.0°
C4	C5	H3	120.1°	119.9°
H5	C7	H6	109.5°	109.4°
H5	C7	H7	109.4°	109.5°
H6	C7	H7	109.5°	109.5°
H8	N1	H9	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	S1	O2	O1	118.7°	123.0°
N1	S1	O2	C1	118.8°	114.1°
N1	S1	O1	C1	119.9°	114.1°
N1	S1	C1	C2	106.7°	89.7°
N1	S1	C1	C6	69.4°	90.0°
S1	N1	H8	H9	120.0°	180.0°
O2	S1	O1	C1	120.1°	122.9°
O2	S1	C1	C2	16.2°	156.7°
O2	S1	C1	C6	167.6°	23.6°
O2	S1	N1	H8	180.0°	113.5°
O2	S1	N1	H9	60.0°	66.5°
O1	S1	C1	C2	130.5°	23.8°
O1	S1	C1	C6	53.4°	156.5°
O1	S1	N1	H8	67.2°	113.5°
O1	S1	N1	H9	172.8°	66.5°
S1	C1	C2	C6	176.1°	179.7°
S1	C1	C2	C3	177.2°	179.7°
S1	C1	C6	C5	178.5°	179.7°
S1	C1	C2	H1	2.8°	0.3°
S1	C1	C6	H4	1.6°	0.3°
C1	S1	N1	H8	57.9°	0.0°
C1	S1	N1	H9	62.1°	180.0°
C7	O3	C3	C2	91.4°	180.0°
C7	O3	C3	C4	91.6°	0.1°
O3	C7	H5	H6	120.0°	120.0°
O3	C7	H5	H7	120.0°	120.1°
O3	C7	H6	H7	120.0°	120.0°
C1	C2	C3	H1	180.0°	179.9°
C1	C2	C3	O3	178.2°	179.9°
C1	C2	C3	C4	1.2°	0.1°
C2	C1	C6	C5	2.3°	0.0°
C2	C1	C6	H4	177.7°	180.0°
C3	C2	C1	C6	1.0°	0.0°
C2	C3	O3	C4	177.0°	179.9°
C2	C3	C4	C5	2.1°	0.1°
C2	C3	C4	H2	177.9°	180.0°
C1	C6	C5	H4	180.0°	180.0°
C1	C6	C5	C4	1.4°	0.0°
C6	C1	C2	H1	179.0°	180.0°
C1	C6	C5	H3	178.6°	180.0°
O3	C3	C4	C5	179.1°	180.0°
O3	C3	C2	H1	1.8°	0.1°
O3	C3	C4	H2	0.9°	0.1°
C3	O3	C7	H5	180.0°	59.9°
C3	O3	C7	H6	60.0°	60.0°
C3	O3	C7	H7	60.0°	180.0°
C3	C4	C5	C6	0.8°	0.1°
C3	C4	C5	H2	180.0°	179.9°
C4	C3	C2	H1	178.8°	180.0°
C3	C4	C5	H3	179.2°	180.0°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	H2	179.2°	180.0°
C4	C5	C6	H4	178.6°	180.0°
H2	C4	C5	H3	0.8°	0.0°
H3	C5	C6	H4	1.4°	0.0°
H5	C7	H6	H7	120.0°	119.9°

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PDB entries from 2024-09-11

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