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Summary Geometry Related PDB entries

A1CW8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.51Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.40Å	1.38Å	Aromatic
C5	N1	sing	1.38Å	1.41Å
N1	C6	sing	1.46Å	1.46Å
N1	C7	sing	1.36Å	1.39Å
C7	N2	doub	1.31Å	1.30Å
C7	S1	sing	1.77Å	1.74Å
S1	C8	sing	1.77Å	1.74Å
C5	C8	sing	1.40Å	1.40Å	Aromatic
C8	C9	doub	1.38Å	1.39Å	Aromatic
C2	C9	sing	1.38Å	1.40Å	Aromatic
C4	H5	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å
N2	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	120.8°	120.3°
C1	C2	C9	120.7°	120.3°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C3	C4	123.0°	120.8°
C3	C2	C9	118.5°	119.4°
C2	C3	H4	118.5°	119.6°
C3	C4	C5	118.3°	120.8°
C3	C4	H5	120.8°	119.7°
C4	C3	H4	118.6°	119.6°
C4	C5	N1	126.8°	127.7°
C4	C5	C8	120.0°	117.6°
C5	C4	H5	120.9°	119.6°
C5	N1	C6	122.8°	121.0°
C5	N1	C7	115.5°	118.0°
N1	C5	C8	113.2°	114.7°
C6	N1	C7	121.7°	121.0°
N1	C6	H6	109.5°	109.5°
N1	C6	H7	109.4°	109.5°
N1	C6	H8	109.4°	109.5°
N1	C7	N2	124.9°	127.0°
N1	C7	S1	107.7°	105.9°
N2	C7	S1	127.4°	127.0°
C7	N2	H9	112.0°	120.0°
C7	S1	C8	94.7°	94.9°
S1	C8	C5	108.7°	106.5°
S1	C8	C9	130.1°	132.1°
C5	C8	C9	121.2°	121.4°
C8	C9	C2	119.1°	120.0°
C8	C9	H10	120.5°	120.0°
C2	C9	H10	120.5°	120.0°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.4°
H6	C6	H7	109.5°	109.5°
H6	C6	H8	109.5°	109.5°
H7	C6	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C9	179.9°	179.6°
C1	C2	C3	C4	179.9°	180.0°
C1	C2	C9	C8	179.8°	179.7°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.1°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H4	0.1°	0.0°
C1	C2	C9	H10	0.2°	0.4°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	0.2°	0.0°
C3	C2	C9	C8	0.1°	0.7°
C2	C3	C4	H5	179.9°	179.7°
C3	C2	C1	H1	90.0°	90.0°
C3	C2	C1	H2	150.0°	150.0°
C3	C2	C1	H3	29.9°	30.1°
C3	C2	C9	H10	179.8°	180.0°
C3	C4	C5	H5	180.0°	179.7°
C3	C4	C5	N1	179.8°	179.7°
C3	C4	C5	C8	0.2°	0.2°
C4	C3	C2	C9	0.0°	0.5°
C4	C5	N1	C8	179.6°	179.9°
C4	C5	N1	C6	0.7°	0.1°
C4	C5	N1	C7	179.0°	179.9°
C4	C5	C8	S1	179.8°	180.0°
C4	C5	C8	C9	0.1°	0.0°
C5	C4	C3	H4	179.8°	180.0°
C5	N1	C6	C7	178.2°	180.0°
C5	N1	C7	N2	179.0°	180.0°
C5	N1	C7	S1	1.9°	0.0°
N1	C5	C8	S1	0.1°	0.0°
N1	C5	C8	C9	179.7°	180.0°
N1	C5	C4	H5	0.2°	0.0°
C5	N1	C6	H6	180.0°	90.0°
C5	N1	C6	H7	60.0°	150.0°
C5	N1	C6	H8	60.0°	30.0°
C6	N1	C7	N2	0.7°	0.0°
C6	N1	C7	S1	179.8°	180.0°
C6	N1	C5	C8	179.6°	180.0°
N1	C6	H6	H7	120.0°	120.0°
N1	C6	H6	H8	120.0°	120.0°
N1	C6	H7	H8	120.0°	120.0°
N1	C7	N2	S1	179.0°	179.9°
N1	C7	S1	C8	1.5°	0.0°
C7	N1	C5	C8	1.3°	0.0°
C7	N1	C6	H6	1.8°	90.0°
C7	N1	C6	H7	121.8°	30.0°
C7	N1	C6	H8	118.2°	150.0°
N1	C7	N2	H9	179.0°	180.0°
N2	C7	S1	C8	179.4°	179.9°
C7	S1	C8	C5	0.8°	0.0°
C7	S1	C8	C9	179.3°	179.9°
S1	C7	N2	H9	0.0°	0.1°
S1	C8	C5	C9	179.9°	180.0°
S1	C8	C9	C2	179.9°	179.5°
S1	C8	C9	H10	0.1°	0.2°
C5	C8	C9	C2	0.1°	0.5°
C8	C5	C4	H5	179.8°	180.0°
C5	C8	C9	H10	179.9°	179.8°
C8	C9	C2	H10	180.0°	179.3°
C9	C2	C1	H1	90.0°	90.5°
C9	C2	C1	H2	30.0°	29.5°
C9	C2	C1	H3	150.0°	149.4°
C9	C2	C3	H4	180.0°	179.5°
H5	C4	C3	H4	0.1°	0.3°
H1	C1	H2	H3	120.0°	120.0°
H6	C6	H7	H8	120.0°	120.0°

249697

PDB entries from 2026-02-25

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