A1L5K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	N24	sing	0.00Å	1.34Å	Aromatic
C23	C22	doub	0.00Å	1.43Å	Aromatic
C25	N24	sing	0.00Å	1.51Å
C25	C26	sing	0.00Å	1.51Å
N24	C42	sing	0.00Å	1.33Å	Aromatic
C22	N43	sing	0.00Å	1.34Å	Aromatic
C40	C26	sing	0.00Å	1.44Å
C40	O41	sing	0.00Å	1.36Å
C26	O27	sing	0.00Å	1.48Å
C42	N43	doub	0.00Å	1.33Å	Aromatic
C42	O41	sing	0.00Å	1.45Å
O27	C28	sing	0.00Å	1.41Å
C28	C29	sing	0.00Å	1.58Å
C29	C30	doub	0.00Å	1.38Å	Aromatic
C29	C39	sing	0.00Å	1.38Å	Aromatic
C30	C31	sing	0.00Å	1.40Å	Aromatic
C39	C38	doub	0.00Å	1.39Å	Aromatic
C31	C32	doub	0.00Å	1.39Å	Aromatic
C38	C32	sing	0.00Å	1.38Å	Aromatic
C32	O33	sing	0.00Å	1.41Å
F36	C34	sing	0.00Å	1.36Å
O33	C34	sing	0.00Å	1.39Å
C34	F35	sing	0.00Å	1.36Å
C34	F37	sing	0.00Å	1.36Å
C23	H18	sing	0.00Å	1.08Å
C25	H19	sing	0.00Å	1.10Å
C25	H20	sing	0.00Å	1.10Å
C26	H21	sing	0.00Å	1.10Å
C28	H22	sing	0.00Å	1.10Å
C28	H23	sing	0.00Å	1.10Å
C30	H24	sing	0.00Å	1.08Å
C31	H25	sing	0.00Å	1.08Å
C38	H26	sing	0.00Å	1.08Å
C39	H27	sing	0.00Å	1.08Å
C40	H28	sing	0.00Å	1.10Å
C40	H29	sing	0.00Å	1.10Å
C22	N1	sing	0.00Å	244.90Å
N1	O1	doub	0.00Å	0.00Å
N1	O2	sing	0.00Å	0.00Å
O2	H1	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N24	C23	C22	106.9°	90.0°
C23	N24	C25	132.2°	90.0°
C23	N24	C42	108.9°	90.0°
N24	C23	H18	126.5°	90.0°
C23	C22	N43	105.3°	90.0°
C22	C23	H18	126.5°	90.0°
C23	C22	N1	125.3°	90.0°
N24	C25	C26	112.4°	90.0°
C25	N24	C42	118.9°	90.0°
N24	C25	H19	108.7°	90.0°
N24	C25	H20	108.8°	90.0°
C25	C26	C40	110.2°	90.0°
C25	C26	O27	114.5°	90.0°
C26	C25	H19	108.7°	90.0°
C26	C25	H20	108.7°	90.0°
C25	C26	H21	109.0°	90.0°
N24	C42	N43	109.1°	90.0°
N24	C42	O41	121.0°	90.0°
C22	N43	C42	109.8°	90.0°
N43	C22	N1	73.7°	90.0°
C26	C40	O41	107.2°	90.0°
C40	C26	O27	103.4°	90.0°
C40	C26	H21	110.0°	90.0°
C26	C40	H28	110.0°	90.0°
C26	C40	H29	110.0°	90.0°
C40	O41	C42	112.5°	90.0°
O41	C40	H28	110.0°	90.0°
O41	C40	H29	110.0°	90.0°
C26	O27	C28	118.7°	90.0°
O27	C26	H21	109.5°	90.0°
N43	C42	O41	129.9°	90.0°
O27	C28	C29	106.9°	90.0°
O27	C28	H22	110.1°	90.0°
O27	C28	H23	110.1°	90.0°
C28	C29	C30	121.8°	90.0°
C28	C29	C39	119.2°	90.0°
C29	C28	H22	110.1°	90.0°
C29	C28	H23	110.1°	90.0°
C30	C29	C39	118.9°	90.0°
C29	C30	C31	121.8°	90.0°
C29	C30	H24	119.1°	90.0°
C29	C39	C38	120.0°	90.0°
C29	C39	H27	120.0°	90.0°
C30	C31	C32	118.6°	90.0°
C31	C30	H24	119.1°	90.0°
C30	C31	H25	120.7°	90.0°
C39	C38	C32	120.7°	90.0°
C39	C38	H26	119.7°	90.0°
C38	C39	H27	120.0°	90.0°
C31	C32	C38	120.0°	90.0°
C31	C32	O33	121.2°	90.0°
C32	C31	H25	120.7°	90.0°
C38	C32	O33	118.8°	90.0°
C32	C38	H26	119.6°	90.0°
C32	O33	C34	118.6°	90.0°
F36	C34	O33	109.6°	90.0°
F36	C34	F35	111.9°	90.0°
F36	C34	F37	109.9°	90.0°
O33	C34	F35	109.2°	90.0°
O33	C34	F37	108.6°	90.0°
F35	C34	F37	107.7°	90.0°
H19	C25	H20	109.4°	90.0°
H22	C28	H23	109.4°	90.0°
H28	C40	H29	109.5°	90.0°
C22	N1	O1	90.0°	90.0°
C22	N1	O2	90.0°	90.0°
O1	N1	O2	90.0°	90.0°
N1	O2	H1	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N24	C23	C22	H18	180.0°	90.0°
C23	N24	C25	C42	179.0°	90.0°
C23	N24	C25	C26	175.1°	90.0°
N24	C23	C22	N43	0.2°	90.0°
C23	N24	C42	N43	0.2°	90.0°
C23	N24	C42	O41	179.8°	90.0°
C23	N24	C25	H19	54.6°	90.0°
C23	N24	C25	H20	64.5°	90.0°
N24	C23	C22	N1	80.4°	90.0°
C22	C23	N24	C25	179.1°	90.0°
C22	C23	N24	C42	0.0°	90.0°
C23	C22	N43	N1	123.0°	90.0°
C23	C22	N43	C42	0.3°	90.0°
C23	C22	N1	O1	90.0°	90.0°
C23	C22	N1	O2	90.0°	90.0°
N24	C25	C26	H19	120.5°	90.0°
N24	C25	C26	H20	120.5°	90.0°
N24	C25	C26	C40	37.1°	90.0°
N24	C25	C26	O27	78.9°	90.0°
C25	N24	C42	N43	179.0°	90.0°
C25	N24	C42	O41	1.0°	90.0°
C25	N24	C23	H18	0.9°	90.0°
N24	C25	H19	H20	118.7°	90.0°
N24	C25	C26	H21	158.0°	90.0°
C26	C25	N24	C42	4.0°	90.0°
C25	C26	C40	O27	122.8°	90.0°
C25	C26	C40	H21	120.3°	90.0°
C25	C26	C40	O41	67.8°	90.0°
C25	C26	O27	H21	122.8°	90.0°
C25	C26	O27	C28	20.7°	90.0°
C26	C25	H19	H20	118.6°	90.0°
C25	C26	C40	H28	172.6°	90.0°
C25	C26	C40	H29	51.8°	90.0°
N24	C42	N43	C22	0.3°	90.0°
N24	C42	O41	C40	29.5°	90.0°
N24	C42	N43	O41	180.0°	90.0°
C42	N24	C23	H18	180.0°	90.0°
C42	N24	C25	H19	124.4°	90.0°
C42	N24	C25	H20	116.5°	90.0°
C22	N43	C42	O41	179.7°	90.0°
N43	C22	C23	H18	179.8°	90.0°
N43	C22	N1	O1	90.0°	90.0°
N43	C22	N1	O2	90.0°	90.0°
C26	C40	O41	H28	119.6°	90.0°
C26	C40	O41	H29	119.6°	90.0°
C40	C26	O27	H21	117.3°	90.0°
C26	C40	O41	C42	63.3°	90.0°
C40	C26	O27	C28	140.7°	90.0°
C40	C26	C25	H19	157.6°	90.0°
C40	C26	C25	H20	83.3°	90.0°
C26	C40	H28	H29	121.0°	90.0°
O41	C40	C26	O27	55.0°	90.0°
C40	O41	C42	N43	150.5°	90.0°
O41	C40	C26	H21	171.9°	90.0°
O41	C40	H28	H29	121.0°	90.0°
C26	O27	C28	C29	169.2°	90.0°
O27	C26	C25	H19	41.6°	90.0°
O27	C26	C25	H20	160.6°	90.0°
C26	O27	C28	H22	49.6°	90.0°
C26	O27	C28	H23	71.2°	90.0°
O27	C26	C40	H28	64.6°	90.0°
O27	C26	C40	H29	174.7°	90.0°
C42	N43	C22	N1	122.7°	90.0°
C42	O41	C40	H28	177.0°	90.0°
C42	O41	C40	H29	56.3°	90.0°
O27	C28	C29	H22	119.6°	90.0°
O27	C28	C29	H23	119.6°	90.0°
O27	C28	C29	C30	73.9°	90.0°
O27	C28	C29	C39	105.2°	90.0°
C28	O27	C26	H21	102.1°	90.0°
O27	C28	H22	H23	121.2°	90.0°
C28	C29	C30	C39	179.2°	90.0°
C28	C29	C30	C31	179.7°	90.0°
C28	C29	C39	C38	179.6°	90.0°
C29	C28	H22	H23	121.2°	90.0°
C28	C29	C30	H24	0.3°	90.0°
C28	C29	C39	H27	0.3°	90.0°
C29	C30	C31	H24	180.0°	90.0°
C30	C29	C39	C38	0.4°	90.0°
C29	C30	C31	C32	1.1°	90.0°
C30	C29	C28	H22	45.7°	90.0°
C30	C29	C28	H23	166.4°	90.0°
C29	C30	C31	H25	178.8°	90.0°
C30	C29	C39	H27	179.6°	90.0°
C39	C29	C30	C31	1.2°	90.0°
C29	C39	C38	H27	180.0°	90.0°
C29	C39	C38	C32	0.3°	90.0°
C39	C29	C28	H22	135.1°	90.0°
C39	C29	C28	H23	14.4°	90.0°
C39	C29	C30	H24	178.9°	90.0°
C29	C39	C38	H26	179.7°	90.0°
C30	C31	C32	H25	180.0°	90.0°
C30	C31	C32	C38	0.4°	90.0°
C30	C31	C32	O33	179.4°	90.0°
C39	C38	C32	C31	0.3°	90.0°
C39	C38	C32	H26	180.0°	90.0°
C39	C38	C32	O33	178.7°	90.0°
C31	C32	C38	O33	179.0°	90.0°
C31	C32	O33	C34	77.5°	90.0°
C32	C31	C30	H24	178.9°	90.0°
C31	C32	C38	H26	179.7°	90.0°
C38	C32	O33	C34	103.6°	90.0°
C38	C32	C31	H25	179.6°	90.0°
C32	C38	C39	H27	179.7°	90.0°
C32	O33	C34	F36	42.0°	90.0°
C32	O33	C34	F35	80.8°	90.0°
C32	O33	C34	F37	162.1°	90.0°
O33	C32	C31	H25	0.6°	90.0°
O33	C32	C38	H26	1.3°	90.0°
F36	C34	O33	F35	122.8°	90.0°
F36	C34	O33	F37	120.1°	90.0°
F36	C34	F35	F37	120.9°	90.0°
O33	C34	F35	F37	117.7°	90.0°
H18	C23	C22	N1	99.6°	90.0°
H19	C25	C26	H21	81.5°	90.0°
H20	C25	C26	H21	37.6°	90.0°
H21	C26	C40	H28	52.3°	90.0°
H21	C26	C40	H29	68.4°	90.0°
H24	C30	C31	H25	1.1°	90.0°
H26	C38	C39	H27	0.3°	90.0°
C22	N1	O1	O2	90.0°	90.0°
C22	N1	O2	H1	90.0°	90.0°
O1	N1	O2	H1	90.0°	90.0°

Release date:	2026-09-02
Definition date:	2024-11-06
Last modified:	2026-08-28
Release status:	REL
Processing site:	PDBJ
Derived from:	9KDJ