A1L9Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C1	sing	1.35Å	1.35Å
C1	C2	doub	1.40Å	1.39Å	Aromatic
C2	C3	sing	1.48Å	1.46Å
C3	N1	doub	1.32Å	1.32Å	Aromatic
N1	N2	sing	1.28Å	1.36Å	Aromatic
N2	N3	doub	1.29Å	1.29Å	Aromatic
N3	N4	sing	1.41Å	1.34Å	Aromatic
C2	C4	sing	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.51Å	1.50Å
C8	O1	sing	1.44Å	1.47Å
O1	C9	sing	1.36Å	1.37Å
C9	C10	doub	1.39Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.51Å	1.49Å
C13	F2	sing	1.40Å	1.33Å
C13	F3	sing	1.40Å	1.32Å
C13	F4	sing	1.40Å	1.33Å
C12	C14	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.52Å	1.50Å
C1	C7	sing	1.38Å	1.39Å	Aromatic
C3	N4	sing	1.36Å	1.33Å	Aromatic
C8	C16	sing	1.55Å	1.52Å
C9	C15	sing	1.39Å	1.38Å	Aromatic
C10	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
N4	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C1	C2	120.0°	120.1°
F1	C1	C7	119.6°	120.1°
C1	C2	C3	120.3°	120.1°
C1	C2	C4	119.6°	119.7°
C2	C1	C7	120.4°	119.8°
C2	C3	N1	125.4°	126.5°
C3	C2	C4	120.1°	120.2°
C2	C3	N4	127.0°	126.5°
C3	N1	N2	106.2°	110.5°
N1	C3	N4	107.6°	107.0°
N1	N2	N3	110.7°	110.4°
N2	N3	N4	106.2°	106.9°
N3	N4	C3	109.3°	105.2°
N3	N4	H1	125.4°	127.5°
C2	C4	C5	120.3°	119.9°
C2	C4	H2	119.8°	120.0°
C4	C5	C6	119.8°	120.2°
C5	C4	H2	119.9°	120.1°
C4	C5	H3	120.1°	119.9°
C5	C6	C7	120.5°	120.3°
C6	C5	H3	120.1°	120.0°
C5	C6	H4	119.8°	119.8°
C6	C7	C8	120.7°	120.0°
C6	C7	C1	119.5°	120.1°
C7	C6	H4	119.7°	119.8°
C7	C8	O1	108.8°	110.7°
C8	C7	C1	119.8°	119.9°
C7	C8	C16	113.1°	110.8°
C7	C8	H5	109.8°	110.8°
C8	O1	C9	108.4°	109.3°
O1	C8	C16	105.5°	102.8°
O1	C8	H5	110.2°	110.8°
O1	C9	C10	125.7°	129.9°
O1	C9	C15	111.9°	111.3°
C9	C10	C11	117.0°	120.2°
C10	C9	C15	122.4°	118.9°
C9	C10	H6	121.5°	119.9°
C10	C11	C12	122.1°	120.3°
C11	C10	H6	121.5°	119.9°
C10	C11	H7	118.9°	119.8°
C11	C12	C13	120.3°	120.1°
C11	C12	C14	118.9°	119.8°
C12	C11	H7	118.9°	119.9°
C12	C13	F2	112.8°	109.5°
C12	C13	F3	112.7°	109.5°
C12	C13	F4	112.9°	109.5°
C13	C12	C14	120.8°	120.1°
F2	C13	F3	106.1°	109.5°
F2	C13	F4	105.9°	109.5°
F3	C13	F4	105.8°	109.5°
C12	C14	C15	119.7°	120.0°
C12	C14	H8	120.2°	120.0°
C14	C15	C16	131.2°	132.2°
C14	C15	C9	119.8°	120.8°
C15	C14	H8	120.2°	120.1°
C15	C16	C8	102.8°	101.9°
C16	C15	C9	109.0°	107.0°
C15	C16	H9	111.1°	110.9°
C15	C16	H10	111.1°	110.9°
C3	N4	H1	125.3°	127.4°
C8	C16	H9	111.1°	111.0°
C8	C16	H10	111.1°	111.0°
C16	C8	H5	109.5°	110.7°
H9	C16	H10	109.5°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C1	C2	C7	179.1°	179.7°
F1	C1	C2	C3	0.9°	0.2°
F1	C1	C2	C4	180.0°	179.7°
F1	C1	C7	C6	179.8°	179.7°
F1	C1	C7	C8	0.4°	0.3°
C1	C2	C3	C4	179.1°	180.0°
C1	C2	C3	N1	162.6°	0.0°
C1	C2	C4	C5	0.5°	0.0°
C2	C1	C7	C6	0.7°	0.0°
C2	C1	C7	C8	179.5°	180.0°
C1	C2	C3	N4	18.7°	179.7°
C1	C2	C4	H2	179.5°	180.0°
C2	C3	N1	N4	178.9°	179.8°
C2	C3	N1	N2	179.6°	180.0°
C2	C3	N4	N3	179.6°	179.8°
C3	C2	C4	C5	179.6°	179.9°
C3	C2	C1	C7	180.0°	180.0°
C3	C2	C4	H2	0.4°	0.0°
C2	C3	N4	H1	0.4°	0.0°
C3	N1	N2	N3	0.5°	0.1°
N1	C3	N4	N3	0.7°	0.4°
N1	C3	C2	C4	18.3°	180.0°
N1	C3	N4	H1	179.3°	179.8°
N1	N2	N3	N4	0.1°	0.3°
N2	N1	C3	N4	0.7°	0.2°
N2	N3	N4	C3	0.4°	0.4°
N2	N3	N4	H1	179.6°	179.8°
N3	N4	C3	H1	180.0°	179.8°
C2	C4	C5	H2	180.0°	179.9°
C2	C4	C5	C6	0.0°	0.1°
C4	C2	C1	C7	0.9°	0.0°
C4	C2	C3	N4	160.4°	0.3°
C2	C4	C5	H3	180.0°	180.0°
C4	C5	C6	H3	180.0°	179.9°
C4	C5	C6	C7	0.2°	0.1°
C4	C5	C6	H4	179.8°	180.0°
C5	C6	C7	H4	180.0°	180.0°
C5	C6	C7	C8	180.0°	180.0°
C5	C6	C7	C1	0.2°	0.0°
C6	C5	C4	H2	180.0°	180.0°
C6	C7	C8	C1	179.8°	180.0°
C6	C7	C8	O1	2.9°	23.5°
C6	C7	C8	C16	113.9°	89.8°
C7	C6	C5	H3	179.9°	180.0°
C6	C7	C8	H5	123.5°	146.9°
C7	C8	O1	C16	121.6°	118.3°
C7	C8	O1	H5	120.4°	123.4°
C7	C8	O1	C9	105.9°	145.9°
C7	C8	C16	C15	103.9°	143.6°
C7	C8	C16	H5	122.8°	123.4°
C7	C8	C16	H9	137.2°	98.3°
C7	C8	C16	H10	15.0°	25.4°
C8	C7	C6	H4	0.0°	0.0°
C8	O1	C9	C10	171.0°	161.0°
O1	C8	C16	C15	14.8°	25.3°
O1	C8	C7	C1	177.3°	156.5°
O1	C8	C16	H5	118.5°	118.3°
C8	O1	C9	C15	10.1°	18.8°
O1	C8	C16	H9	104.1°	143.4°
O1	C8	C16	H10	133.8°	92.9°
O1	C9	C10	C15	178.8°	179.8°
O1	C9	C10	C11	179.8°	179.4°
O1	C9	C15	C14	179.4°	179.2°
O1	C9	C15	C16	0.0°	0.9°
C9	O1	C8	C16	15.7°	27.6°
O1	C9	C10	H6	0.3°	0.4°
C9	O1	C8	H5	133.7°	90.7°
C9	C10	C11	H6	180.0°	179.8°
C9	C10	C11	C12	1.0°	0.2°
C10	C9	C15	C14	0.4°	1.0°
C10	C9	C15	C16	178.9°	178.9°
C9	C10	C11	H7	179.1°	179.7°
C10	C11	C12	H7	180.0°	180.0°
C10	C11	C12	C13	179.9°	179.8°
C10	C11	C12	C14	0.4°	0.3°
C11	C10	C9	C15	1.0°	0.9°
C11	C12	C13	C14	179.7°	179.9°
C11	C12	C13	F2	36.0°	0.0°
C11	C12	C13	F3	156.2°	120.0°
C11	C12	C13	F4	84.0°	120.0°
C11	C12	C14	C15	0.2°	0.2°
C12	C11	C10	H6	179.1°	180.0°
C11	C12	C14	H8	179.8°	179.9°
C12	C13	F2	F3	123.8°	120.0°
C12	C13	F2	F4	124.0°	120.0°
C12	C13	F3	F4	123.8°	120.0°
C13	C12	C14	C15	179.6°	179.9°
C13	C12	C11	H7	0.1°	0.2°
C13	C12	C14	H8	0.4°	0.0°
F2	C13	F3	F4	112.3°	120.0°
F2	C13	C12	C14	143.7°	180.0°
F3	C13	C12	C14	23.6°	60.1°
F4	C13	C12	C14	96.2°	59.9°
C12	C14	C15	H8	180.0°	179.9°
C12	C14	C15	C16	179.4°	179.4°
C12	C14	C15	C9	0.2°	0.5°
C14	C12	C11	H7	179.6°	179.7°
C14	C15	C16	C9	179.3°	179.9°
C14	C15	C16	C8	171.2°	164.4°
C14	C15	C16	H9	69.8°	46.2°
C14	C15	C16	H10	52.3°	77.4°
C15	C16	C8	H9	118.9°	118.2°
C15	C16	C8	H10	118.9°	118.1°
C16	C15	C14	H8	0.6°	0.7°
C15	C16	H9	H10	123.1°	123.6°
C15	C16	C8	H5	133.3°	93.1°
C1	C7	C8	C16	65.9°	90.2°
C1	C7	C6	H4	179.8°	180.0°
C1	C7	C8	H5	56.7°	33.1°
C8	C16	C15	C9	9.5°	15.5°
C8	C16	H9	H10	123.1°	123.8°
C15	C9	C10	H6	179.1°	179.4°
C9	C15	C14	H8	179.8°	179.4°
C9	C15	C16	H9	109.5°	133.7°
C9	C15	C16	H10	128.4°	102.7°
H6	C10	C11	H7	0.9°	0.0°
H9	C16	C8	H5	14.4°	25.1°
H10	C16	C8	H5	107.7°	148.8°
H2	C4	C5	H3	0.0°	0.1°
H3	C5	C6	H4	0.1°	0.0°

Release date:	2026-05-06
Definition date:	2025-06-04
Last modified:	2026-05-01
Release status:	REL
Processing site:	PDBJ
Derived from:	9V81