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Summary Geometry Related PDB entries

A1J1C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.37Å	Aromatic
C11	C1	sing	1.40Å	1.39Å	Aromatic
C9	N	doub	1.32Å	1.34Å	Aromatic
C1	C	sing	1.47Å	1.48Å
C1	C2	doub	1.40Å	1.40Å	Aromatic
O	C	doub	1.22Å	1.21Å
C	O2	sing	1.35Å	1.31Å
N	C2	sing	1.32Å	1.32Å	Aromatic
C2	O1	sing	1.35Å	1.36Å
O1	C3	sing	1.36Å	1.39Å
C3	C4	doub	1.39Å	1.38Å	Aromatic
C3	C8	sing	1.39Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
O2	H6	sing	0.97Å	0.95Å
C7	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C5	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	118.7°	119.5°
C10	C11	C1	119.0°	118.3°
C11	C10	H1	120.6°	120.2°
C10	C11	H3	120.5°	120.8°
C10	C9	N	123.8°	121.2°
C9	C10	H1	120.7°	120.2°
C10	C9	H5	118.1°	119.5°
C11	C1	C	120.9°	120.6°
C11	C1	C2	116.8°	118.8°
C1	C11	H3	120.5°	120.9°
C9	N	C2	116.7°	121.8°
N	C9	H5	118.1°	119.4°
C	C1	C2	122.2°	120.6°
C1	C	O	120.3°	120.0°
C1	C	O2	115.7°	120.0°
C1	C2	N	125.0°	120.4°
C1	C2	O1	115.1°	119.8°
O	C	O2	123.9°	120.0°
C	O2	H6	109.5°	117.0°
N	C2	O1	119.9°	119.8°
C2	O1	C3	121.3°	118.0°
O1	C3	C4	120.8°	120.1°
O1	C3	C8	118.6°	120.0°
C4	C3	C8	120.6°	119.9°
C3	C4	C5	119.3°	120.0°
C3	C4	H4	120.4°	120.0°
C3	C8	C7	119.3°	119.9°
C3	C8	H2	120.4°	120.1°
C4	C5	C6	120.5°	120.1°
C5	C4	H4	120.3°	120.1°
C4	C5	H9	119.8°	120.0°
C8	C7	C6	120.4°	120.1°
C7	C8	H2	120.4°	120.0°
C8	C7	H7	119.8°	120.0°
C5	C6	C7	119.9°	120.1°
C5	C6	H8	120.1°	119.9°
C6	C5	H9	119.8°	119.9°
C6	C7	H7	119.8°	119.9°
C7	C6	H8	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H1	180.0°	179.8°
C10	C11	C1	H3	180.0°	180.0°
C11	C10	C9	N	0.2°	0.0°
C10	C11	C1	C	175.6°	179.9°
C10	C11	C1	C2	0.9°	0.0°
C11	C10	C9	H5	179.9°	180.0°
C9	C10	C11	C1	0.6°	0.0°
C10	C9	N	H5	180.0°	180.0°
C10	C9	N	C2	0.7°	0.0°
C9	C10	C11	H3	179.3°	180.0°
C11	C1	C	C2	176.3°	180.0°
C11	C1	C	O	118.5°	180.0°
C11	C1	C	O2	61.8°	0.0°
C11	C1	C2	N	0.3°	0.0°
C11	C1	C2	O1	177.3°	180.0°
C1	C11	C10	H1	179.4°	179.8°
C9	N	C2	C1	0.4°	0.0°
C9	N	C2	O1	176.4°	180.0°
N	C9	C10	H1	179.8°	179.8°
C1	C	O	O2	179.7°	180.0°
C	C1	C2	N	176.1°	180.0°
C	C1	C2	O1	0.9°	0.1°
C	C1	C11	H3	4.4°	0.0°
C1	C	O2	H6	179.7°	180.0°
C2	C1	C	O	57.8°	0.0°
C2	C1	C	O2	121.8°	180.0°
C1	C2	N	O1	176.8°	180.0°
C1	C2	O1	C3	113.0°	175.2°
C2	C1	C11	H3	179.1°	180.0°
O	C	O2	H6	0.0°	0.0°
N	C2	O1	C3	69.9°	4.8°
C2	N	C9	H5	179.3°	180.0°
C2	O1	C3	C4	8.6°	76.9°
C2	O1	C3	C8	173.3°	102.9°
O1	C3	C4	C8	178.1°	179.7°
O1	C3	C4	C5	177.3°	179.8°
O1	C3	C8	C7	177.5°	179.7°
O1	C3	C8	H2	2.5°	0.3°
O1	C3	C4	H4	2.7°	0.3°
C3	C4	C5	H4	180.0°	179.9°
C4	C3	C8	C7	0.6°	0.0°
C3	C4	C5	C6	0.3°	0.1°
C4	C3	C8	H2	179.4°	180.0°
C3	C4	C5	H9	179.6°	180.0°
C8	C3	C4	C5	0.7°	0.0°
C3	C8	C7	H2	180.0°	180.0°
C3	C8	C7	C6	0.1°	0.0°
C8	C3	C4	H4	179.2°	180.0°
C3	C8	C7	H7	179.9°	180.0°
C4	C5	C6	H9	180.0°	179.9°
C4	C5	C6	C7	0.2°	0.0°
C4	C5	C6	H8	179.8°	180.0°
C8	C7	C6	C5	0.3°	0.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	H8	179.7°	180.0°
C5	C6	C7	H8	180.0°	180.0°
C6	C5	C4	H4	179.6°	180.0°
C5	C6	C7	H7	179.7°	180.0°
C6	C7	C8	H2	179.9°	180.0°
C7	C6	C5	H9	179.8°	180.0°
H1	C10	C11	H3	0.7°	0.2°
H1	C10	C9	H5	0.1°	0.2°
H2	C8	C7	H7	0.1°	0.0°
H4	C4	C5	H9	0.4°	0.1°
H7	C7	C6	H8	0.3°	0.0°
H8	C6	C5	H9	0.1°	0.0°

259016

PDB entries from 2026-09-02

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