A1L7J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	N3	sing	1.46Å	1.46Å
O1	C1	doub	1.22Å	1.23Å
N3	C5	sing	1.38Å	1.38Å	Aromatic
N3	C7	sing	1.35Å	1.39Å	Aromatic
C1	C5	sing	1.41Å	1.42Å
C1	N1	sing	1.35Å	1.40Å
C8	C9	sing	1.53Å	1.53Å
C8	C7	sing	1.51Å	1.49Å
C4	C3	trip	1.17Å	1.18Å
C5	C6	doub	1.39Å	1.37Å	Aromatic
C9	C10	sing	1.51Å	1.51Å
C7	N2	doub	1.31Å	1.32Å	Aromatic
C3	C2	sing	1.47Å	1.47Å
C2	N1	sing	1.47Å	1.47Å
N1	C22	sing	1.34Å	1.39Å
C6	N2	sing	1.34Å	1.35Å	Aromatic
C6	N4	sing	1.39Å	1.37Å
C10	C16	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C22	N4	sing	1.35Å	1.37Å
C22	O5	doub	1.22Å	1.22Å
N4	C18	sing	1.46Å	1.48Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C18	C19	sing	1.53Å	1.52Å
C12	C14	sing	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.51Å	1.50Å
C19	C20	sing	1.53Å	1.52Å
F2	C13	sing	1.40Å	1.33Å
C13	F3	sing	1.40Å	1.33Å
C13	F1	sing	1.40Å	1.33Å
O4	P1	doub	1.48Å	1.48Å
C20	C21	sing	1.53Å	1.52Å
C21	P1	sing	1.82Å	1.79Å
P1	O3	sing	1.61Å	1.48Å
P1	O2	sing	1.61Å	1.49Å
C11	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C16	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
C19	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å
C21	H16	sing	1.09Å	1.10Å
C21	H17	sing	1.09Å	1.10Å
C4	H18	sing	1.05Å	1.06Å
C8	H19	sing	1.09Å	1.10Å
C8	H20	sing	1.09Å	1.10Å
C9	H21	sing	1.09Å	1.10Å
C9	H22	sing	1.09Å	1.10Å
O2	H23	sing	0.97Å	0.95Å
O3	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	N3	C5	125.7°	126.5°
C17	N3	C7	128.0°	126.5°
N3	C17	H5	109.5°	109.4°
N3	C17	H6	109.5°	109.4°
N3	C17	H7	109.5°	109.5°
O1	C1	C5	126.4°	120.3°
O1	C1	N1	120.4°	120.4°
C5	N3	C7	106.3°	107.0°
N3	C5	C1	132.3°	134.6°
N3	C5	C6	105.0°	106.2°
N3	C7	C8	123.5°	125.1°
N3	C7	N2	111.3°	109.7°
C5	C1	N1	113.2°	119.3°
C1	C5	C6	122.7°	119.1°
C1	N1	C2	118.0°	119.5°
C1	N1	C22	124.7°	121.0°
C9	C8	C7	114.8°	109.5°
C8	C9	C10	116.9°	109.4°
C9	C8	H19	108.1°	109.5°
C9	C8	H20	108.1°	109.5°
C8	C9	H21	107.6°	109.5°
C8	C9	H22	107.6°	109.5°
C8	C7	N2	125.2°	125.1°
C7	C8	H19	108.1°	109.4°
C7	C8	H20	108.1°	109.5°
C4	C3	C2	177.8°	179.9°
C3	C4	H18	180.0°	179.9°
C5	C6	N2	112.0°	107.2°
C5	C6	N4	121.2°	118.9°
C9	C10	C16	120.2°	120.0°
C9	C10	C11	121.8°	120.0°
C10	C9	H21	107.6°	109.5°
C10	C9	H22	107.6°	109.5°
C7	N2	C6	105.4°	109.8°
C3	C2	N1	114.8°	109.5°
C3	C2	H12	108.1°	109.4°
C3	C2	H13	108.1°	109.4°
C2	N1	C22	117.3°	119.5°
N1	C2	H12	108.1°	109.5°
N1	C2	H13	108.1°	109.5°
N1	C22	N4	118.6°	121.6°
N1	C22	O5	120.5°	119.2°
N2	C6	N4	126.8°	133.9°
C6	N4	C22	119.6°	120.1°
C6	N4	C18	121.8°	120.0°
C16	C10	C11	118.0°	119.9°
C10	C16	C15	121.2°	120.1°
C10	C16	H4	119.4°	120.0°
C10	C11	C12	120.9°	120.0°
C10	C11	H1	119.5°	120.0°
C16	C15	C14	120.5°	119.9°
C16	C15	H3	119.7°	120.1°
C15	C16	H4	119.4°	120.0°
N4	C22	O5	120.8°	119.2°
C22	N4	C18	118.6°	119.9°
N4	C18	C19	113.5°	109.5°
N4	C18	H8	108.4°	109.5°
N4	C18	H9	108.4°	109.5°
C11	C12	C14	120.3°	120.0°
C11	C12	C13	120.4°	120.0°
C12	C11	H1	119.5°	120.0°
C15	C14	C12	119.2°	120.0°
C15	C14	H2	120.4°	120.0°
C14	C15	H3	119.8°	120.0°
C18	C19	C20	111.2°	109.5°
C19	C18	H8	108.5°	109.5°
C19	C18	H9	108.5°	109.5°
C18	C19	H10	109.1°	109.5°
C18	C19	H11	109.0°	109.5°
C14	C12	C13	119.4°	120.0°
C12	C14	H2	120.4°	120.0°
C12	C13	F2	113.1°	109.5°
C12	C13	F3	112.4°	109.5°
C12	C13	F1	112.8°	109.4°
C19	C20	C21	113.1°	109.5°
C20	C19	H10	109.0°	109.5°
C20	C19	H11	109.1°	109.4°
C19	C20	H14	108.5°	109.5°
C19	C20	H15	108.6°	109.5°
F2	C13	F3	106.1°	109.5°
F2	C13	F1	106.2°	109.4°
F3	C13	F1	105.6°	109.5°
O4	P1	C21	107.1°	109.5°
O4	P1	O3	111.1°	109.5°
O4	P1	O2	111.1°	109.4°
C20	C21	P1	111.3°	109.5°
C21	C20	H14	108.6°	109.4°
C21	C20	H15	108.6°	109.4°
C20	C21	H16	109.0°	109.4°
C20	C21	H17	109.0°	109.5°
C21	P1	O3	107.4°	109.5°
C21	P1	O2	108.7°	109.5°
P1	C21	H16	109.0°	109.4°
P1	C21	H17	109.0°	109.5°
O3	P1	O2	111.2°	109.5°
P1	O3	H24	109.5°	114.0°
P1	O2	H23	109.5°	114.0°
H5	C17	H6	109.5°	109.5°
H5	C17	H7	109.5°	109.5°
H6	C17	H7	109.5°	109.6°
H8	C18	H9	109.5°	109.4°
H10	C19	H11	109.5°	109.5°
H12	C2	H13	109.5°	109.5°
H14	C20	H15	109.5°	109.5°
H16	C21	H17	109.5°	109.5°
H19	C8	H20	109.5°	109.5°
H21	C9	H22	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	N3	C5	C7	179.6°	179.9°
C17	N3	C5	C1	0.2°	0.1°
C17	N3	C7	C8	1.3°	0.1°
C17	N3	C5	C6	179.8°	180.0°
C17	N3	C7	N2	179.7°	180.0°
N3	C17	H5	H6	120.0°	119.9°
N3	C17	H5	H7	120.0°	120.0°
N3	C17	H6	H7	120.0°	120.0°
O1	C1	C5	N3	0.1°	0.4°
O1	C1	C5	N1	179.3°	179.6°
O1	C1	C5	C6	179.9°	179.7°
O1	C1	N1	C2	1.4°	0.4°
O1	C1	N1	C22	179.6°	179.8°
N3	C5	C1	C6	180.0°	179.9°
N3	C5	C1	N1	179.5°	180.0°
C5	N3	C7	C8	179.1°	180.0°
C5	N3	C7	N2	0.7°	0.1°
N3	C5	C6	N2	0.2°	0.0°
N3	C5	C6	N4	179.7°	180.0°
C5	N3	C17	H5	180.0°	90.0°
C5	N3	C17	H6	60.0°	150.1°
C5	N3	C17	H7	60.0°	30.0°
C7	N3	C5	C1	179.7°	180.0°
N3	C7	C8	C9	98.4°	89.9°
N3	C7	C8	N2	178.2°	179.9°
C7	N3	C5	C6	0.3°	0.1°
N3	C7	N2	C6	0.8°	0.0°
C7	N3	C17	H5	0.5°	89.9°
C7	N3	C17	H6	119.5°	30.0°
C7	N3	C17	H7	120.5°	150.1°
N3	C7	C8	H19	140.7°	30.1°
N3	C7	C8	H20	22.3°	150.1°
C5	C1	N1	C2	179.2°	180.0°
C5	C1	N1	C22	1.1°	0.2°
C1	C5	C6	N2	179.8°	179.9°
C1	C5	C6	N4	0.3°	0.0°
N1	C1	C5	C6	0.5°	0.1°
C1	N1	C2	C3	73.7°	89.9°
C1	N1	C2	C22	178.3°	179.9°
C1	N1	C22	N4	1.3°	0.2°
C1	N1	C22	O5	179.2°	180.0°
C1	N1	C2	H12	47.1°	30.0°
C1	N1	C2	H13	165.5°	150.1°
C9	C8	C7	H19	120.8°	120.0°
C9	C8	C7	H20	120.8°	120.0°
C8	C9	C10	H21	121.1°	120.0°
C8	C9	C10	H22	121.1°	120.0°
C9	C8	C7	N2	83.3°	90.0°
C8	C9	C10	C16	119.6°	90.0°
C8	C9	C10	C11	61.9°	89.8°
C9	C8	H19	H20	117.5°	120.0°
C8	C9	H21	H22	116.6°	120.0°
C7	C8	C9	C10	51.3°	180.0°
C8	C7	N2	C6	179.2°	180.0°
C7	C8	H19	H20	117.6°	120.0°
C7	C8	C9	H21	69.8°	60.0°
C7	C8	C9	H22	172.4°	60.0°
C4	C3	C2	N1	171.6°	18.4°
C4	C3	C2	H12	50.8°	101.6°
C4	C3	C2	H13	67.6°	138.4°
C5	C6	N2	C7	0.7°	0.0°
C5	C6	N2	N4	179.9°	180.0°
C5	C6	N4	C22	0.5°	0.1°
C5	C6	N4	C18	179.3°	180.0°
C9	C10	C16	C11	178.6°	179.8°
C9	C10	C16	C15	179.7°	179.8°
C9	C10	C11	C12	179.7°	179.7°
C9	C10	C11	H1	0.3°	0.2°
C9	C10	C16	H4	0.3°	0.3°
C10	C9	C8	H19	69.5°	60.0°
C10	C9	C8	H20	172.1°	60.0°
C10	C9	H21	H22	116.6°	120.0°
C7	N2	C6	N4	179.3°	180.0°
N2	C7	C8	H19	37.5°	150.0°
N2	C7	C8	H20	155.9°	30.0°
C3	C2	N1	H12	120.8°	120.0°
C3	C2	N1	H13	120.8°	120.0°
C3	C2	N1	C22	108.0°	89.9°
C3	C2	H12	H13	117.6°	119.9°
C2	C3	C4	H18	63.5°	156.2°
C2	N1	C22	N4	179.5°	180.0°
C2	N1	C22	O5	1.0°	0.1°
N1	C2	H12	H13	117.5°	120.0°
N1	C22	N4	C6	1.0°	0.1°
N1	C22	N4	O5	179.5°	179.8°
N1	C22	N4	C18	179.7°	179.9°
C22	N1	C2	H12	131.2°	150.1°
C22	N1	C2	H13	12.8°	30.0°
N2	C6	N4	C22	179.6°	179.9°
N2	C6	N4	C18	0.8°	0.0°
C6	N4	C22	C18	178.8°	180.0°
C6	N4	C22	O5	179.5°	180.0°
C6	N4	C18	C19	65.1°	90.0°
C6	N4	C18	H8	55.5°	150.0°
C6	N4	C18	H9	174.3°	30.1°
C10	C16	C15	H4	180.0°	180.0°
C16	C10	C11	C12	1.2°	0.0°
C10	C16	C15	C14	0.5°	0.0°
C16	C10	C11	H1	178.8°	180.0°
C10	C16	C15	H3	179.4°	180.0°
C16	C10	C9	H21	1.5°	150.0°
C16	C10	C9	H22	119.3°	30.0°
C11	C10	C16	C15	1.1°	0.0°
C10	C11	C12	H1	180.0°	180.0°
C10	C11	C12	C14	0.7°	0.0°
C10	C11	C12	C13	180.0°	180.0°
C11	C10	C16	H4	178.9°	179.9°
C11	C10	C9	H21	177.0°	30.2°
C11	C10	C9	H22	59.2°	150.2°
C16	C15	C14	H3	180.0°	179.9°
C16	C15	C14	C12	0.0°	0.1°
C16	C15	C14	H2	180.0°	180.0°
C22	N4	C18	C19	116.2°	90.0°
C22	N4	C18	H8	123.2°	30.0°
C22	N4	C18	H9	4.4°	150.0°
O5	C22	N4	C18	0.7°	0.1°
N4	C18	C19	H8	120.6°	120.0°
N4	C18	C19	H9	120.6°	120.0°
N4	C18	C19	C20	158.0°	180.0°
N4	C18	H8	H9	118.1°	120.0°
N4	C18	C19	H10	37.8°	60.0°
N4	C18	C19	H11	81.7°	60.0°
C11	C12	C14	C15	0.1°	0.1°
C11	C12	C14	C13	179.3°	180.0°
C11	C12	C13	F2	7.1°	30.0°
C11	C12	C13	F3	113.1°	90.0°
C11	C12	C13	F1	127.7°	150.0°
C11	C12	C14	H2	179.9°	180.0°
C15	C14	C12	H2	180.0°	180.0°
C15	C14	C12	C13	179.4°	180.0°
C14	C15	C16	H4	179.4°	180.0°
C18	C19	C20	H10	120.3°	120.0°
C18	C19	C20	H11	120.2°	120.0°
C18	C19	C20	C21	140.8°	180.0°
C19	C18	H8	H9	118.2°	120.0°
C18	C19	H10	H11	119.2°	120.0°
C18	C19	C20	H14	98.6°	60.0°
C18	C19	C20	H15	20.3°	60.0°
C14	C12	C13	F2	173.6°	150.0°
C14	C12	C13	F3	66.2°	89.9°
C14	C12	C13	F1	53.0°	30.1°
C14	C12	C11	H1	179.3°	180.0°
C12	C14	C15	H3	179.9°	180.0°
C12	C13	F2	F3	123.6°	120.0°
C12	C13	F2	F1	124.3°	119.9°
C12	C13	F3	F1	123.4°	120.0°
C13	C12	C11	H1	0.0°	0.0°
C13	C12	C14	H2	0.6°	0.0°
C19	C20	C21	H14	120.5°	120.0°
C19	C20	C21	H15	120.5°	120.0°
C19	C20	C21	P1	86.3°	180.0°
C20	C19	C18	H8	81.4°	60.0°
C20	C19	C18	H9	37.4°	60.0°
C20	C19	H10	H11	119.2°	120.0°
C19	C20	H14	H15	118.3°	120.1°
C19	C20	C21	H16	34.0°	60.0°
C19	C20	C21	H17	153.4°	60.0°
F2	C13	F3	F1	112.5°	120.0°
O4	P1	C21	C20	38.5°	55.0°
O4	P1	C21	O3	119.5°	120.0°
O4	P1	C21	O2	120.2°	120.0°
O4	P1	O3	O2	124.3°	120.0°
O4	P1	C21	H16	81.8°	175.0°
O4	P1	C21	H17	158.8°	65.0°
O4	P1	O2	H23	0.0°	179.9°
O4	P1	O3	H24	0.0°	60.0°
C20	C21	P1	H16	120.3°	120.0°
C20	C21	P1	H17	120.3°	120.0°
C20	C21	P1	O3	158.0°	175.0°
C20	C21	P1	O2	81.7°	65.0°
C21	C20	C19	H10	20.5°	60.0°
C21	C20	C19	H11	99.0°	60.0°
C21	C20	H14	H15	118.4°	119.9°
C20	C21	H16	H17	119.1°	120.0°
C21	P1	O3	O2	118.8°	120.0°
P1	C21	C20	H14	153.2°	60.0°
P1	C21	C20	H15	34.2°	60.0°
P1	C21	H16	H17	119.2°	120.0°
C21	P1	O2	H23	117.7°	60.1°
C21	P1	O3	H24	116.9°	180.0°
O3	P1	C21	H16	37.7°	65.0°
O3	P1	C21	H17	81.8°	55.0°
O3	P1	O2	H23	124.3°	59.9°
O2	P1	C21	H16	158.0°	55.0°
O2	P1	C21	H17	38.6°	175.0°
O2	P1	O3	H24	124.3°	60.0°
H2	C14	C15	H3	0.0°	0.0°
H3	C15	C16	H4	0.6°	0.1°
H5	C17	H6	H7	120.0°	120.0°
H8	C18	C19	H10	158.4°	60.0°
H8	C18	C19	H11	38.8°	180.0°
H9	C18	C19	H10	82.8°	180.0°
H9	C18	C19	H11	157.7°	60.0°
H10	C19	C20	H14	141.1°	180.0°
H10	C19	C20	H15	100.0°	60.0°
H11	C19	C20	H14	21.6°	60.0°
H11	C19	C20	H15	140.5°	180.0°
H14	C20	C21	H16	86.5°	179.9°
H14	C20	C21	H17	32.9°	60.1°
H15	C20	C21	H16	154.5°	60.0°
H15	C20	C21	H17	86.0°	180.0°
H19	C8	C9	H21	169.4°	60.0°
H19	C8	C9	H22	51.6°	180.0°
H20	C8	C9	H21	51.0°	NaN°
H20	C8	C9	H22	66.8°	60.0°

Release date:	2026-02-04
Definition date:	2025-02-06
Last modified:	2026-01-30
Release status:	REL
Processing site:	PDBJ
Derived from:	9LRS