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Summary Geometry Related PDB entries

A1AI5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	N4	sing	1.29Å	1.32Å	Aromatic
N3	N2	sing	1.29Å	1.31Å	Aromatic
N4	C3	doub	1.31Å	1.32Å	Aromatic
N2	N1	doub	1.29Å	1.32Å	Aromatic
C3	N1	sing	1.33Å	1.30Å	Aromatic
C3	C2	sing	1.51Å	1.49Å
C2	C1	sing	1.51Å	1.51Å
CL1	C8	sing	1.74Å	1.74Å
C9	C8	doub	1.38Å	1.38Å	Aromatic
C9	C4	sing	1.40Å	1.39Å	Aromatic
C8	C7	sing	1.39Å	1.38Å	Aromatic
C1	C4	sing	1.47Å	1.49Å
C1	O1	doub	1.21Å	1.22Å
C4	C5	doub	1.40Å	1.39Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
N3	H5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	N3	N2	112.2°	109.1°
N3	N4	C3	102.6°	107.9°
N4	N3	H5	123.9°	125.4°
N3	N2	N1	106.2°	108.8°
N2	N3	H5	123.9°	125.5°
N4	C3	N1	112.3°	106.9°
N4	C3	C2	123.5°	126.5°
N2	N1	C3	106.8°	107.4°
N1	C3	C2	124.2°	126.6°
C3	C2	C1	113.9°	109.5°
C3	C2	H6	108.4°	109.5°
C3	C2	H7	108.4°	109.5°
C2	C1	C4	119.1°	120.0°
C2	C1	O1	120.3°	120.0°
C1	C2	H6	108.4°	109.5°
C1	C2	H7	108.3°	109.4°
CL1	C8	C9	119.7°	119.9°
CL1	C8	C7	118.8°	119.9°
C8	C9	C4	119.4°	119.8°
C9	C8	C7	121.5°	120.2°
C8	C9	H4	120.3°	120.1°
C9	C4	C1	122.3°	120.2°
C9	C4	C5	119.2°	119.7°
C4	C9	H4	120.3°	120.1°
C8	C7	C6	118.9°	120.3°
C8	C7	H3	120.5°	119.8°
C4	C1	O1	120.6°	120.0°
C1	C4	C5	118.4°	120.2°
C4	C5	C6	120.3°	119.8°
C4	C5	H1	119.9°	120.1°
C7	C6	C5	120.7°	120.2°
C7	C6	H2	119.6°	119.9°
C6	C7	H3	120.6°	119.8°
C6	C5	H1	119.9°	120.1°
C5	C6	H2	119.7°	119.9°
H6	C2	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	N3	N2	H5	180.0°	179.9°
N4	N3	N2	N1	0.0°	0.1°
N3	N4	C3	N1	0.2°	0.0°
N3	N4	C3	C2	179.8°	180.0°
N2	N3	N4	C3	0.1°	0.1°
N3	N2	N1	C3	0.2°	0.0°
N4	C3	N1	N2	0.2°	0.0°
N4	C3	N1	C2	179.5°	180.0°
N4	C3	C2	C1	146.2°	90.0°
N4	C3	C2	H6	25.6°	30.0°
N4	C3	C2	H7	93.1°	150.0°
C3	N4	N3	H5	179.9°	179.9°
N2	N1	C3	C2	179.8°	180.0°
N1	N2	N3	H5	180.0°	179.9°
N1	C3	C2	C1	33.2°	89.9°
N1	C3	C2	H6	153.9°	150.0°
N1	C3	C2	H7	87.4°	30.0°
C3	C2	C1	H6	120.7°	120.0°
C3	C2	C1	H7	120.7°	120.0°
C3	C2	C1	C4	127.4°	180.0°
C3	C2	C1	O1	53.8°	0.1°
C3	C2	H6	H7	118.0°	120.0°
C2	C1	C4	C9	3.7°	0.2°
C2	C1	C4	O1	178.8°	179.9°
C2	C1	C4	C5	176.9°	180.0°
C1	C2	H6	H7	118.0°	119.9°
CL1	C8	C9	C7	179.9°	179.9°
CL1	C8	C9	C4	179.9°	180.0°
CL1	C8	C7	C6	179.8°	180.0°
CL1	C8	C7	H3	0.2°	0.1°
CL1	C8	C9	H4	0.0°	0.0°
C8	C9	C4	H4	180.0°	179.9°
C8	C9	C4	C1	179.6°	179.8°
C8	C9	C4	C5	0.2°	0.0°
C9	C8	C7	C6	0.3°	0.1°
C9	C8	C7	H3	179.7°	180.0°
C4	C9	C8	C7	0.1°	0.1°
C9	C4	C1	C5	179.4°	179.8°
C9	C4	C1	O1	175.1°	179.7°
C9	C4	C5	C6	0.5°	0.0°
C9	C4	C5	H1	179.5°	180.0°
C8	C7	C6	H3	180.0°	179.9°
C8	C7	C6	C5	0.5°	0.0°
C8	C7	C6	H2	179.5°	180.0°
C7	C8	C9	H4	179.9°	180.0°
C1	C4	C5	C6	179.9°	179.8°
C1	C4	C5	H1	0.1°	0.3°
C1	C4	C9	H4	0.5°	0.3°
C4	C1	C2	H6	111.9°	59.9°
C4	C1	C2	H7	6.8°	60.0°
O1	C1	C4	C5	4.3°	0.1°
O1	C1	C2	H6	66.9°	120.0°
O1	C1	C2	H7	174.4°	120.1°
C4	C5	C6	C7	0.6°	0.0°
C4	C5	C6	H1	180.0°	180.0°
C4	C5	C6	H2	179.4°	180.0°
C5	C4	C9	H4	179.8°	180.0°
C7	C6	C5	H2	180.0°	180.0°
C7	C6	C5	H1	179.3°	180.0°
C5	C6	C7	H3	179.5°	180.0°
H1	C5	C6	H2	0.7°	0.0°
H2	C6	C7	H3	0.5°	0.0°

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PDB entries from 2026-03-18

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