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Summary Geometry Related PDB entries

A1J1D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.37Å	Aromatic
C7	C5	sing	1.40Å	1.39Å	Aromatic
C9	N	doub	1.32Å	1.34Å	Aromatic
C5	C6	sing	1.47Å	1.47Å
C5	C4	doub	1.40Å	1.40Å	Aromatic
O2	C6	doub	1.21Å	1.21Å
C6	O1	sing	1.35Å	1.28Å
N	C4	sing	1.32Å	1.31Å	Aromatic
C4	O	sing	1.35Å	1.35Å
O	C3	sing	1.36Å	1.39Å
C3	C2	doub	1.39Å	1.38Å	Aromatic
C3	C10	sing	1.39Å	1.38Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C1	C	doub	1.38Å	1.37Å	Aromatic
C11	C	sing	1.38Å	1.37Å	Aromatic
C	CL	sing	1.74Å	1.74Å
C2	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
O1	H4	sing	0.97Å	0.95Å
C10	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C9	118.8°	119.5°
C8	C7	C5	119.0°	118.4°
C8	C7	H3	120.5°	120.8°
C7	C8	H7	120.6°	120.3°
C8	C9	N	123.7°	121.2°
C8	C9	H6	118.1°	119.4°
C9	C8	H7	120.6°	120.3°
C7	C5	C6	120.5°	120.7°
C7	C5	C4	116.7°	118.7°
C5	C7	H3	120.5°	120.8°
C9	N	C4	116.7°	121.8°
N	C9	H6	118.1°	119.4°
C6	C5	C4	122.8°	120.6°
C5	C6	O2	122.4°	120.0°
C5	C6	O1	114.1°	119.9°
C5	C4	N	125.0°	120.4°
C5	C4	O	115.0°	119.8°
O2	C6	O1	123.5°	120.0°
C6	O1	H4	109.5°	117.0°
N	C4	O	120.0°	119.8°
C4	O	C3	120.4°	118.0°
O	C3	C2	121.4°	120.0°
O	C3	C10	118.4°	120.0°
C2	C3	C10	120.2°	119.9°
C3	C2	C1	119.9°	120.0°
C3	C2	H1	120.1°	120.0°
C3	C10	C11	120.0°	119.9°
C3	C10	H5	120.0°	120.0°
C2	C1	C	119.3°	120.0°
C1	C2	H1	120.1°	120.0°
C2	C1	H2	120.4°	120.0°
C10	C11	C	119.3°	120.1°
C11	C10	H5	120.0°	120.0°
C10	C11	H8	120.4°	119.9°
C1	C	C11	121.4°	120.1°
C1	C	CL	119.4°	120.0°
C	C1	H2	120.4°	119.9°
C11	C	CL	119.2°	120.0°
C	C11	H8	120.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C9	H7	180.0°	180.0°
C8	C7	C5	H3	180.0°	179.9°
C7	C8	C9	N	0.2°	0.3°
C8	C7	C5	C6	178.6°	180.0°
C8	C7	C5	C4	0.5°	0.2°
C7	C8	C9	H6	179.8°	180.0°
C9	C8	C7	C5	0.3°	0.1°
C8	C9	N	H6	180.0°	179.7°
C8	C9	N	C4	0.4°	0.3°
C9	C8	C7	H3	179.7°	180.0°
C7	C5	C6	C4	179.0°	179.7°
C7	C5	C6	O2	117.5°	179.7°
C7	C5	C6	O1	62.8°	0.2°
C7	C5	C4	N	0.4°	0.3°
C7	C5	C4	O	179.0°	179.8°
C5	C7	C8	H7	179.8°	180.0°
C9	N	C4	C5	0.1°	0.0°
C9	N	C4	O	178.5°	180.0°
N	C9	C8	H7	179.8°	179.7°
C5	C6	O2	O1	179.7°	179.9°
C6	C5	C4	N	178.7°	180.0°
C6	C5	C4	O	0.1°	0.0°
C6	C5	C7	H3	1.5°	0.1°
C5	C6	O1	H4	179.7°	180.0°
C4	C5	C6	O2	61.6°	0.0°
C4	C5	C6	O1	118.1°	180.0°
C5	C4	N	O	178.5°	180.0°
C5	C4	O	C3	112.9°	174.1°
C4	C5	C7	H3	179.4°	179.7°
O2	C6	O1	H4	0.0°	0.1°
N	C4	O	C3	68.4°	5.9°
C4	N	C9	H6	179.6°	180.0°
C4	O	C3	C2	7.0°	70.5°
C4	O	C3	C10	174.0°	109.8°
O	C3	C2	C10	179.0°	179.7°
O	C3	C2	C1	178.9°	179.7°
O	C3	C10	C11	179.0°	179.8°
O	C3	C2	H1	1.2°	0.3°
O	C3	C10	H5	1.0°	0.3°
C3	C2	C1	H1	180.0°	180.0°
C2	C3	C10	C11	0.1°	0.0°
C3	C2	C1	C	0.2°	0.0°
C3	C2	C1	H2	179.8°	180.0°
C2	C3	C10	H5	179.9°	180.0°
C10	C3	C2	C1	0.2°	0.0°
C3	C10	C11	H5	180.0°	180.0°
C3	C10	C11	C	0.0°	0.1°
C10	C3	C2	H1	179.8°	180.0°
C3	C10	C11	H8	180.0°	180.0°
C2	C1	C	H2	180.0°	180.0°
C2	C1	C	C11	0.1°	0.1°
C2	C1	C	CL	179.5°	180.0°
C10	C11	C	C1	0.0°	0.1°
C10	C11	C	H8	180.0°	179.9°
C10	C11	C	CL	179.6°	180.0°
C1	C	C11	CL	179.6°	179.9°
C	C1	C2	H1	179.8°	180.0°
C1	C	C11	H8	180.0°	180.0°
C11	C	C1	H2	179.9°	180.0°
C	C11	C10	H5	180.0°	180.0°
CL	C	C1	H2	0.5°	0.1°
CL	C	C11	H8	0.4°	0.1°
H1	C2	C1	H2	0.2°	0.0°
H3	C7	C8	H7	0.3°	0.1°
H5	C10	C11	H8	0.0°	0.0°
H6	C9	C8	H7	0.2°	0.0°

259016

PDB entries from 2026-09-02

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