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Summary Geometry Related PDB entries

A6W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	S2	sing	1.76Å	1.70Å	Aromatic
C10	C9	doub	1.34Å	1.39Å	Aromatic
S2	C7	sing	1.76Å	1.73Å	Aromatic
C9	C8	sing	1.38Å	1.40Å	Aromatic
C7	C8	doub	1.36Å	1.39Å	Aromatic
C7	C6	sing	1.47Å	1.39Å
C5	C6	doub	1.37Å	1.38Å	Aromatic
C5	C4	sing	1.37Å	1.40Å	Aromatic
C6	S1	sing	1.76Å	1.73Å	Aromatic
N1	C4	sing	1.39Å	1.39Å
C4	C3	doub	1.38Å	1.40Å	Aromatic
S1	C3	sing	1.76Å	1.72Å	Aromatic
C3	C2	sing	1.41Å	1.46Å
O1	C2	sing	1.35Å	1.33Å
O1	C1	sing	1.43Å	1.45Å
C2	O2	doub	1.22Å	1.21Å
C10	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	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)
S2	C10	C9	108.8°	109.9°
C10	S2	C7	95.6°	91.1°
S2	C10	H1	125.6°	125.0°
C10	C9	C8	113.3°	115.2°
C9	C10	H1	125.6°	125.0°
C10	C9	H2	123.3°	122.4°
S2	C7	C8	107.2°	109.3°
S2	C7	C6	122.5°	125.4°
C9	C8	C7	115.0°	114.4°
C8	C9	H2	123.3°	122.4°
C9	C8	H3	122.5°	122.7°
C8	C7	C6	130.2°	125.3°
C7	C8	H3	122.5°	122.8°
C7	C6	C5	129.4°	125.0°
C7	C6	S1	122.4°	125.0°
C6	C5	C4	114.5°	114.7°
C5	C6	S1	108.2°	109.9°
C6	C5	H4	122.8°	122.6°
C5	C4	N1	121.9°	122.8°
C5	C4	C3	114.0°	114.4°
C4	C5	H4	122.8°	122.7°
C6	S1	C3	95.2°	91.3°
N1	C4	C3	124.1°	122.8°
C4	N1	H8	109.5°	120.0°
C4	N1	H9	109.4°	120.0°
C4	C3	S1	108.1°	109.6°
C4	C3	C2	130.8°	125.2°
S1	C3	C2	121.0°	125.2°
C3	C2	O1	112.0°	120.0°
C3	C2	O2	123.8°	120.0°
C2	O1	C1	115.9°	117.0°
O1	C2	O2	124.2°	120.0°
O1	C1	H5	109.5°	109.5°
O1	C1	H6	109.5°	109.5°
O1	C1	H7	109.5°	109.5°
H5	C1	H6	109.5°	109.4°
H5	C1	H7	109.5°	109.5°
H6	C1	H7	109.5°	109.5°
H8	N1	H9	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S2	C10	C9	H1	180.0°	179.7°
S2	C10	C9	C8	0.0°	0.0°
C10	S2	C7	C8	0.0°	0.0°
C10	S2	C7	C6	179.9°	180.0°
S2	C10	C9	H2	180.0°	180.0°
C9	C10	S2	C7	0.0°	0.0°
C10	C9	C8	H2	180.0°	180.0°
C10	C9	C8	C7	0.0°	0.0°
C10	C9	C8	H3	180.0°	180.0°
S2	C7	C8	C9	0.0°	0.0°
S2	C7	C8	C6	179.9°	180.0°
S2	C7	C6	C5	0.1°	0.0°
S2	C7	C6	S1	179.8°	180.0°
C7	S2	C10	H1	180.0°	179.7°
S2	C7	C8	H3	180.0°	180.0°
C9	C8	C7	H3	180.0°	180.0°
C9	C8	C7	C6	179.9°	180.0°
C8	C9	C10	H1	180.0°	179.7°
C8	C7	C6	C5	179.9°	180.0°
C8	C7	C6	S1	0.0°	0.1°
C7	C8	C9	H2	180.0°	180.0°
C7	C6	C5	S1	179.9°	180.0°
C7	C6	C5	C4	179.9°	180.0°
C7	C6	S1	C3	179.9°	180.0°
C6	C7	C8	H3	0.1°	0.1°
C7	C6	C5	H4	0.1°	0.0°
C6	C5	C4	H4	180.0°	180.0°
C6	C5	C4	N1	180.0°	179.8°
C6	C5	C4	C3	0.0°	0.0°
C5	C6	S1	C3	0.0°	0.0°
C4	C5	C6	S1	0.0°	0.0°
C5	C4	N1	C3	179.9°	179.8°
C5	C4	C3	S1	0.1°	0.0°
C5	C4	C3	C2	179.9°	180.0°
C5	C4	N1	H8	180.0°	179.7°
C5	C4	N1	H9	60.0°	0.2°
C6	S1	C3	C4	0.0°	0.0°
C6	S1	C3	C2	179.9°	180.0°
S1	C6	C5	H4	180.0°	179.9°
N1	C4	C3	S1	180.0°	179.8°
N1	C4	C3	C2	0.2°	0.2°
N1	C4	C5	H4	0.0°	0.3°
C4	N1	H8	H9	120.0°	179.9°
C4	C3	S1	C2	179.9°	180.0°
C4	C3	C2	O1	0.2°	180.0°
C4	C3	C2	O2	179.9°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	N1	H8	0.1°	0.1°
C3	C4	N1	H9	120.0°	180.0°
S1	C3	C2	O1	179.6°	0.0°
S1	C3	C2	O2	0.2°	180.0°
C3	C2	O1	O2	179.9°	180.0°
C3	C2	O1	C1	179.7°	180.0°
C2	O1	C1	H5	180.0°	60.0°
C2	O1	C1	H6	60.0°	59.9°
C2	O1	C1	H7	60.0°	180.0°
C1	O1	C2	O2	0.2°	0.0°
O1	C1	H5	H6	120.0°	120.0°
O1	C1	H5	H7	120.0°	120.0°
O1	C1	H6	H7	120.0°	120.1°
H1	C10	C9	H2	0.0°	0.3°
H2	C9	C8	H3	0.0°	0.0°
H5	C1	H6	H7	120.0°	120.0°

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PDB entries from 2024-10-02

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