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Summary Geometry Related PDB entries

G8L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	S1	sing	1.66Å	1.70Å
C7	C8	doub	1.39Å	1.37Å	Aromatic
C7	C1	sing	1.36Å	1.38Å	Aromatic
C8	C9	sing	1.36Å	1.37Å	Aromatic
O2	S1	doub	1.42Å	1.46Å
S1	C1	sing	1.76Å	1.84Å
S1	O1	doub	1.42Å	1.47Å
C1	C6	doub	1.41Å	1.40Å	Aromatic
C9	C2	doub	1.40Å	1.39Å	Aromatic
C6	C2	sing	1.42Å	1.40Å	Aromatic
C6	N2	sing	1.34Å	1.34Å	Aromatic
C2	C3	sing	1.41Å	1.37Å	Aromatic
N2	C5	doub	1.31Å	1.35Å	Aromatic
C3	C4	doub	1.37Å	1.36Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
N1	H7	sing	0.97Å	1.00Å
N1	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	S1	O2	110.3°	106.4°
N1	S1	C1	109.6°	107.2°
N1	S1	O1	109.5°	106.4°
S1	N1	H7	109.5°	120.0°
S1	N1	H8	109.5°	120.0°
C8	C7	C1	123.7°	121.1°
C7	C8	C9	119.2°	120.9°
C8	C7	H4	118.1°	119.5°
C7	C8	H5	120.4°	119.5°
C7	C1	S1	118.0°	120.1°
C7	C1	C6	117.0°	119.7°
C1	C7	H4	118.1°	119.4°
C8	C9	C2	119.3°	119.6°
C9	C8	H5	120.4°	119.6°
C8	C9	H6	120.3°	120.2°
O2	S1	C1	112.0°	106.4°
O2	S1	O1	101.3°	123.2°
C1	S1	O1	113.9°	106.4°
S1	C1	C6	124.9°	120.1°
C1	C6	C2	119.8°	119.1°
C1	C6	N2	122.8°	121.1°
C9	C2	C6	120.9°	119.6°
C9	C2	C3	118.5°	121.4°
C2	C9	H6	120.3°	120.2°
C2	C6	N2	117.5°	119.8°
C6	C2	C3	120.6°	119.0°
C6	N2	C5	122.5°	121.3°
C2	C3	C4	120.8°	118.1°
C2	C3	H1	119.6°	120.9°
N2	C5	C4	120.7°	121.7°
N2	C5	H3	119.7°	119.1°
C3	C4	C5	118.0°	120.0°
C4	C3	H1	119.6°	121.0°
C3	C4	H2	121.0°	120.0°
C5	C4	H2	121.0°	120.0°
C4	C5	H3	119.6°	119.1°
H7	N1	H8	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	S1	C1	C7	71.9°	114.8°
N1	S1	O2	C1	122.4°	114.1°
N1	S1	O2	O1	115.9°	122.9°
N1	S1	C1	O1	123.0°	113.5°
N1	S1	C1	C6	108.8°	65.0°
S1	N1	H7	H8	120.0°	179.9°
C8	C7	C1	H4	180.0°	179.9°
C7	C8	C9	H5	180.0°	180.0°
C8	C7	C1	S1	176.9°	179.7°
C8	C7	C1	C6	3.7°	0.0°
C7	C8	C9	C2	1.4°	0.1°
C7	C8	C9	H6	178.6°	180.0°
C1	C7	C8	C9	3.4°	0.1°
C7	C1	S1	O2	50.9°	1.2°
C7	C1	S1	C6	179.3°	179.7°
C7	C1	S1	O1	165.1°	131.7°
C7	C1	C6	C2	2.1°	0.0°
C7	C1	C6	N2	178.0°	180.0°
C1	C7	C8	H5	176.6°	180.0°
C8	C9	C2	H6	180.0°	179.9°
C8	C9	C2	C6	0.1°	0.1°
C8	C9	C2	C3	178.7°	180.0°
C9	C8	C7	H4	176.6°	180.0°
O2	S1	C1	O1	114.2°	132.9°
O2	S1	C1	C6	128.4°	178.5°
O2	S1	N1	H7	180.0°	6.4°
O2	S1	N1	H8	60.0°	173.5°
S1	C1	C6	C2	178.5°	179.7°
S1	C1	C6	N2	1.3°	0.2°
S1	C1	C7	H4	3.1°	0.3°
C1	S1	N1	H7	56.2°	120.0°
C1	S1	N1	H8	63.8°	59.9°
O1	S1	C1	C6	14.2°	48.5°
O1	S1	N1	H7	69.4°	126.5°
O1	S1	N1	H8	170.6°	53.6°
C1	C6	C2	C9	0.3°	0.1°
C1	C6	C2	N2	179.9°	179.9°
C1	C6	C2	C3	179.1°	180.0°
C1	C6	N2	C5	180.0°	180.0°
C6	C1	C7	H4	176.3°	180.0°
C9	C2	C6	C3	178.8°	179.9°
C9	C2	C6	N2	179.8°	180.0°
C9	C2	C3	C4	179.9°	180.0°
C9	C2	C3	H1	0.1°	0.0°
C2	C9	C8	H5	178.6°	179.9°
C2	C6	N2	C5	0.1°	0.1°
C6	C2	C3	C4	1.3°	0.1°
C6	C2	C3	H1	178.7°	180.0°
C6	C2	C9	H6	179.9°	180.0°
N2	C6	C2	C3	1.0°	0.1°
C6	N2	C5	C4	0.6°	0.0°
C6	N2	C5	H3	179.5°	179.9°
C2	C3	C4	H1	180.0°	180.0°
C2	C3	C4	C5	0.7°	0.0°
C2	C3	C4	H2	179.4°	180.0°
C3	C2	C9	H6	1.3°	0.1°
N2	C5	C4	C3	0.3°	0.0°
N2	C5	C4	H3	180.0°	179.9°
N2	C5	C4	H2	179.7°	180.0°
C3	C4	C5	H2	180.0°	180.0°
C3	C4	C5	H3	179.8°	180.0°
C5	C4	C3	H1	179.3°	180.0°
H1	C3	C4	H2	0.6°	0.0°
H2	C4	C5	H3	0.3°	0.0°
H4	C7	C8	H5	3.4°	0.0°
H5	C8	C9	H6	1.4°	0.0°

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PDB entries from 2024-08-07

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