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Summary Geometry Related PDB entries

A1JL1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	C20	sing	1.51Å	1.51Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C16	sing	1.39Å	1.40Å	Aromatic
O13	C20	doub	1.21Å	1.25Å
C14	C13	sing	1.38Å	1.38Å	Aromatic
C20	N1	sing	1.35Å	1.37Å
N1	C16	sing	1.40Å	1.42Å
C16	C17	doub	1.39Å	1.39Å	Aromatic
C13	C18	doub	1.40Å	1.40Å	Aromatic
C17	C18	sing	1.40Å	1.40Å	Aromatic
C18	C19	sing	1.48Å	1.50Å
C19	O12	doub	1.21Å	1.29Å
C19	O11	sing	1.35Å	1.28Å
O11	H1	sing	0.97Å	0.95Å
N1	H2	sing	0.97Å	1.00Å
C13	H22	sing	1.08Å	1.08Å
C15	H24	sing	1.08Å	1.08Å
C17	H25	sing	1.08Å	1.08Å
C21	H28	sing	1.09Å	1.10Å
C21	H27	sing	1.09Å	1.10Å
C21	H26	sing	1.09Å	1.10Å
C14	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C20	O13	122.6°	120.0°
C21	C20	N1	117.0°	120.0°
C20	C21	H28	109.5°	109.5°
C20	C21	H27	109.5°	109.4°
C20	C21	H26	109.5°	109.5°
C14	C15	C16	120.5°	120.2°
C15	C14	C13	120.0°	120.2°
C14	C15	H24	119.8°	119.9°
C15	C14	H23	120.0°	119.8°
C15	C16	N1	119.4°	120.0°
C15	C16	C17	120.1°	120.0°
C16	C15	H24	119.7°	119.9°
O13	C20	N1	120.2°	120.0°
C14	C13	C18	119.4°	120.0°
C14	C13	H22	120.3°	120.0°
C13	C14	H23	120.0°	119.9°
C20	N1	C16	122.1°	120.0°
C20	N1	H2	119.0°	120.0°
N1	C16	C17	120.5°	120.0°
C16	N1	H2	118.9°	119.9°
C16	C17	C18	119.0°	119.8°
C16	C17	H25	120.5°	120.1°
C13	C18	C17	120.9°	119.8°
C13	C18	C19	121.0°	120.1°
C18	C13	H22	120.3°	120.0°
C17	C18	C19	118.1°	120.1°
C18	C17	H25	120.5°	120.1°
C18	C19	O12	118.0°	120.0°
C18	C19	O11	116.1°	120.0°
O12	C19	O11	125.9°	120.0°
C19	O11	H1	109.5°	117.0°
H28	C21	H27	109.5°	109.5°
H28	C21	H26	109.4°	109.5°
H27	C21	H26	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C20	O13	N1	175.1°	180.0°
C21	C20	N1	C16	2.0°	175.4°
C21	C20	N1	H2	177.9°	4.6°
C20	C21	H28	H27	120.0°	120.0°
C20	C21	H28	H26	120.0°	120.0°
C20	C21	H27	H26	120.0°	120.0°
C14	C15	C16	H24	180.0°	180.0°
C15	C14	C13	H23	180.0°	179.9°
C14	C15	C16	N1	177.8°	180.0°
C14	C15	C16	C17	0.0°	0.2°
C15	C14	C13	C18	3.4°	0.1°
C15	C14	C13	H22	176.6°	179.7°
C16	C15	C14	C13	2.3°	0.0°
C15	C16	N1	C20	102.6°	144.9°
C15	C16	N1	C17	177.7°	179.8°
C15	C16	C17	C18	1.1°	0.5°
C15	C16	N1	H2	77.4°	35.2°
C15	C16	C17	H25	178.9°	180.0°
C16	C15	C14	H23	177.7°	179.9°
O13	C20	N1	C16	177.4°	4.6°
O13	C20	N1	H2	2.5°	175.4°
O13	C20	C21	H28	0.0°	90.0°
O13	C20	C21	H27	120.0°	150.0°
O13	C20	C21	H26	120.0°	30.0°
C14	C13	C18	H22	180.0°	179.7°
C14	C13	C18	C17	2.2°	0.3°
C14	C13	C18	C19	179.3°	179.7°
C13	C14	C15	H24	177.6°	179.9°
C20	N1	C16	H2	180.0°	180.0°
C20	N1	C16	C17	79.7°	35.3°
N1	C20	C21	H28	175.3°	90.0°
N1	C20	C21	H27	55.3°	30.1°
N1	C20	C21	H26	64.7°	150.0°
N1	C16	C17	C18	176.6°	179.7°
N1	C16	C15	H24	2.2°	0.1°
N1	C16	C17	H25	3.4°	0.2°
C16	C17	C18	C13	0.1°	0.5°
C16	C17	C18	H25	180.0°	179.6°
C16	C17	C18	C19	178.5°	179.5°
C17	C16	N1	H2	100.3°	144.6°
C17	C16	C15	H24	179.9°	179.7°
C13	C18	C17	C19	178.5°	180.0°
C13	C18	C19	O12	5.3°	180.0°
C13	C18	C19	O11	171.8°	0.0°
C13	C18	C17	H25	180.0°	179.9°
C18	C13	C14	H23	176.6°	180.0°
C17	C18	C19	O12	176.1°	0.1°
C17	C18	C19	O11	6.7°	180.0°
C17	C18	C13	H22	177.8°	180.0°
C18	C19	O12	O11	176.8°	180.0°
C18	C19	O11	H1	176.9°	180.0°
C19	C18	C13	H22	0.7°	0.0°
C19	C18	C17	H25	1.5°	0.1°
O12	C19	O11	H1	0.0°	0.0°
H22	C13	C14	H23	3.4°	0.4°
H24	C15	C14	H23	2.4°	0.0°
H28	C21	H27	H26	120.0°	120.0°

250835

PDB entries from 2026-03-18

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