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Summary Geometry Related PDB entries

A1BDL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	sing	1.51Å	1.51Å
C1	C2	doub	1.39Å	1.38Å	Aromatic
C2	C3	sing	1.39Å	1.38Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C4	N	sing	1.32Å	1.34Å	Aromatic
N	C5	doub	1.32Å	1.34Å	Aromatic
C5	C1	sing	1.38Å	1.38Å	Aromatic
C	N1	sing	1.46Å	1.47Å
N1	C6	sing	1.36Å	1.37Å	Aromatic
C6	C7	doub	1.35Å	1.36Å	Aromatic
C7	C8	sing	1.41Å	1.41Å	Aromatic
C8	C9	doub	1.35Å	1.36Å	Aromatic
N1	C9	sing	1.36Å	1.37Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	121.3°	120.4°
C	C1	C5	121.7°	120.4°
C1	C	N1	112.6°	109.4°
C1	C	H	108.7°	109.5°
C1	C	H1	108.7°	109.5°
C1	C2	C3	120.0°	118.4°
C2	C1	C5	117.0°	119.2°
C1	C2	H2	120.0°	120.8°
C2	C3	C4	118.4°	119.2°
C3	C2	H2	120.0°	120.8°
C2	C3	H3	120.8°	120.4°
C3	C4	N	123.2°	120.7°
C3	C4	H4	118.4°	119.7°
C4	C3	H3	120.8°	120.4°
C4	N	C5	117.2°	121.7°
N	C4	H4	118.4°	119.6°
N	C5	C1	124.2°	120.8°
N	C5	H5	117.9°	119.7°
C1	C5	H5	117.9°	119.6°
C	N1	C6	126.2°	125.7°
C	N1	C9	125.6°	125.6°
N1	C	H	108.7°	109.5°
N1	C	H1	108.7°	109.5°
N1	C6	C7	108.4°	108.2°
C6	N1	C9	108.1°	108.7°
N1	C6	H6	125.8°	125.9°
C6	C7	C8	107.6°	107.4°
C7	C6	H6	125.8°	125.9°
C6	C7	H7	126.2°	126.3°
C7	C8	C9	107.5°	107.4°
C8	C7	H7	126.2°	126.3°
C7	C8	H8	126.2°	126.3°
C8	C9	N1	108.4°	108.3°
C9	C8	H8	126.3°	126.3°
C8	C9	H9	125.8°	125.9°
N1	C9	H9	125.8°	125.9°
H	C	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C5	178.0°	180.0°
C	C1	C2	C3	176.4°	179.2°
C	C1	C5	N	177.0°	179.4°
C1	C	N1	H	120.5°	120.0°
C1	C	N1	H1	120.5°	120.0°
C1	C	N1	C6	75.3°	90.0°
C1	C	N1	C9	100.2°	89.7°
C	C1	C5	H5	3.0°	0.0°
C1	C	H	H1	118.6°	120.0°
C	C1	C2	H2	3.6°	0.0°
C1	C2	C3	H2	180.0°	179.2°
C1	C2	C3	C4	1.1°	0.5°
C2	C1	C5	N	1.0°	0.5°
C2	C1	C	N1	80.1°	90.0°
C2	C1	C5	H5	179.0°	180.0°
C2	C1	C	H	159.4°	150.0°
C2	C1	C	H1	40.3°	30.0°
C1	C2	C3	H3	178.9°	179.5°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	N	0.4°	0.0°
C3	C2	C1	C5	1.7°	0.8°
C2	C3	C4	H4	179.6°	179.7°
C3	C4	N	H4	180.0°	179.8°
C3	C4	N	C5	1.1°	0.2°
C4	C3	C2	H2	178.9°	179.7°
C4	N	C5	C1	0.4°	0.0°
C4	N	C5	H5	179.7°	179.5°
N	C4	C3	H3	179.6°	180.0°
N	C5	C1	H5	180.0°	179.4°
C5	N	C4	H4	178.9°	180.0°
C5	C1	C	N1	101.9°	90.0°
C5	C1	C	H	18.6°	30.0°
C5	C1	C	H1	137.6°	150.0°
C5	C1	C2	H2	178.3°	179.9°
C	N1	C6	C9	176.2°	179.8°
C	N1	C6	C7	175.7°	179.7°
C	N1	C9	C8	175.7°	179.7°
C	N1	C6	H6	4.3°	0.2°
N1	C	H	H1	118.6°	120.0°
C	N1	C9	H9	4.3°	0.2°
N1	C6	C7	H6	180.0°	179.9°
N1	C6	C7	C8	0.3°	0.0°
C6	N1	C9	C8	0.5°	0.0°
N1	C6	C7	H7	179.7°	180.0°
C6	N1	C	H	45.1°	150.0°
C6	N1	C	H1	164.2°	30.0°
C6	N1	C9	H9	179.5°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.1°	0.0°
C7	C6	N1	C9	0.5°	0.0°
C6	C7	C8	H8	179.9°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	N1	0.2°	0.0°
C8	C7	C6	H6	179.6°	180.0°
C7	C8	C9	H9	179.7°	180.0°
C8	C9	N1	H9	180.0°	179.9°
C9	C8	C7	H7	179.9°	180.0°
C9	N1	C6	H6	179.5°	180.0°
N1	C9	C8	H8	179.8°	180.0°
C9	N1	C	H	139.3°	30.3°
C9	N1	C	H1	20.3°	150.3°
H4	C4	C3	H3	0.4°	0.2°
H6	C6	C7	H7	0.4°	0.1°
H7	C7	C8	H8	0.1°	0.0°
H8	C8	C9	H9	0.3°	0.0°
H2	C2	C3	H3	1.1°	0.3°

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PDB entries from 2026-02-11

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