A1IQF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C26	C27	doub	1.38Å	1.38Å	Aromatic
C26	C25	sing	1.38Å	1.39Å	Aromatic
C27	C28	sing	1.38Å	1.38Å	Aromatic
C25	C24	doub	1.38Å	1.39Å	Aromatic
C28	C29	doub	1.38Å	1.38Å	Aromatic
C24	C29	sing	1.38Å	1.39Å	Aromatic
C24	C23	sing	1.51Å	1.51Å
CL2	C18	sing	1.74Å	1.74Å
C22	C23	sing	1.53Å	1.50Å
C22	O4	sing	1.43Å	1.44Å
O4	C21	sing	1.36Å	1.37Å
C18	C19	doub	1.38Å	1.37Å	Aromatic
C18	C17	sing	1.39Å	1.40Å	Aromatic
O1	C1	doub	1.21Å	1.26Å
C19	C20	sing	1.40Å	1.40Å	Aromatic
C30	C21	doub	1.38Å	1.38Å	Aromatic
C30	C2	sing	1.40Å	1.39Å	Aromatic
C17	C16	doub	1.38Å	1.38Å	Aromatic
C21	C5	sing	1.40Å	1.41Å	Aromatic
C1	C2	sing	1.48Å	1.50Å
C1	O2	sing	1.35Å	1.26Å
C2	C3	doub	1.40Å	1.38Å	Aromatic
C20	C6	sing	1.47Å	1.43Å	Aromatic
C20	C15	doub	1.41Å	1.40Å	Aromatic
C16	C15	sing	1.39Å	1.40Å	Aromatic
C5	C6	sing	1.48Å	1.47Å
C5	C4	doub	1.40Å	1.40Å	Aromatic
C6	N1	doub	1.31Å	1.32Å	Aromatic
C15	N2	sing	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
N1	N2	sing	1.40Å	1.39Å	Aromatic
N2	C7	sing	1.35Å	1.41Å
O3	C7	doub	1.21Å	1.21Å
C7	C8	sing	1.48Å	1.49Å
F3	C14	sing	1.40Å	1.33Å
CL1	C9	sing	1.74Å	1.74Å
C8	C9	doub	1.40Å	1.40Å	Aromatic
C8	C13	sing	1.40Å	1.41Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C14	F2	sing	1.40Å	1.33Å
C14	C13	sing	1.51Å	1.51Å
C14	F1	sing	1.40Å	1.33Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C22	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C23	H10	sing	1.09Å	1.10Å
C23	H11	sing	1.09Å	1.10Å
C25	H12	sing	1.08Å	1.08Å
C26	H13	sing	1.08Å	1.08Å
C27	H14	sing	1.08Å	1.08Å
C28	H15	sing	1.08Å	1.08Å
C29	H16	sing	1.08Å	1.08Å
C3	H17	sing	1.08Å	1.08Å
C30	H18	sing	1.08Å	1.08Å
O2	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C27	C26	C25	120.2°	120.0°
C26	C27	C28	120.1°	119.9°
C27	C26	H13	119.9°	119.9°
C26	C27	H14	119.9°	120.0°
C26	C25	C24	120.4°	120.0°
C26	C25	H12	119.8°	120.0°
C25	C26	H13	119.9°	120.0°
C27	C28	C29	120.0°	120.0°
C28	C27	H14	119.9°	120.0°
C27	C28	H15	120.0°	120.0°
C25	C24	C29	118.7°	120.0°
C25	C24	C23	120.9°	120.0°
C24	C25	H12	119.8°	120.0°
C28	C29	C24	120.6°	120.0°
C29	C28	H15	120.0°	120.0°
C28	C29	H16	119.7°	120.1°
C29	C24	C23	120.3°	120.0°
C24	C29	H16	119.7°	120.0°
C24	C23	C22	117.4°	109.5°
C24	C23	H10	107.5°	109.5°
C24	C23	H11	107.5°	109.5°
CL2	C18	C19	117.1°	119.8°
CL2	C18	C17	119.8°	119.8°
C23	C22	O4	108.2°	109.5°
C23	C22	H8	109.8°	109.5°
C23	C22	H9	109.8°	109.5°
C22	C23	H10	107.5°	109.5°
C22	C23	H11	107.4°	109.4°
C22	O4	C21	122.5°	117.0°
O4	C22	H8	109.8°	109.5°
O4	C22	H9	109.8°	109.4°
O4	C21	C30	125.5°	120.0°
O4	C21	C5	114.7°	120.1°
C19	C18	C17	123.1°	120.4°
C18	C19	C20	117.8°	119.7°
C18	C19	H7	121.1°	120.2°
C18	C17	C16	119.6°	120.6°
C18	C17	H6	120.2°	119.7°
O1	C1	C2	118.2°	120.0°
O1	C1	O2	125.0°	120.0°
C19	C20	C6	132.9°	133.8°
C19	C20	C15	119.7°	119.9°
C20	C19	H7	121.1°	120.2°
C21	C30	C2	120.1°	119.9°
C30	C21	C5	119.7°	119.9°
C21	C30	H18	119.9°	120.1°
C30	C2	C1	120.1°	120.0°
C30	C2	C3	120.2°	120.0°
C2	C30	H18	119.9°	120.0°
C17	C16	C15	118.2°	119.9°
C17	C16	H5	120.9°	120.0°
C16	C17	H6	120.2°	119.7°
C21	C5	C6	121.5°	120.0°
C21	C5	C4	119.4°	120.0°
C2	C1	O2	116.8°	120.0°
C1	C2	C3	119.7°	120.0°
C1	O2	H19	109.5°	117.0°
C2	C3	C4	120.2°	120.1°
C2	C3	H17	119.9°	119.9°
C6	C20	C15	107.4°	106.3°
C20	C6	C5	129.1°	126.2°
C20	C6	N1	109.6°	107.6°
C20	C15	C16	121.6°	119.6°
C20	C15	N2	105.0°	106.9°
C16	C15	N2	133.4°	133.5°
C15	C16	H5	120.9°	120.1°
C6	C5	C4	118.8°	120.0°
C5	C6	N1	121.1°	126.2°
C5	C4	C3	120.3°	120.1°
C5	C4	H2	119.9°	119.9°
C6	N1	N2	107.4°	110.0°
C15	N2	N1	110.5°	109.2°
C15	N2	C7	129.3°	125.4°
C3	C4	H2	119.9°	120.0°
C4	C3	H17	119.9°	120.0°
N1	N2	C7	120.1°	125.4°
N2	C7	O3	119.1°	120.0°
N2	C7	C8	118.9°	120.0°
O3	C7	C8	121.9°	120.0°
C7	C8	C9	118.8°	120.1°
C7	C8	C13	121.9°	120.2°
F3	C14	F2	106.5°	109.5°
F3	C14	C13	113.7°	109.5°
F3	C14	F1	106.6°	109.5°
CL1	C9	C8	121.4°	120.1°
CL1	C9	C10	117.6°	120.1°
C9	C8	C13	119.3°	119.7°
C8	C9	C10	121.0°	119.8°
C8	C13	C14	123.0°	120.1°
C8	C13	C12	118.8°	119.9°
C9	C10	C11	119.4°	120.2°
C9	C10	H1	120.3°	120.0°
F2	C14	C13	112.4°	109.5°
F2	C14	F1	103.7°	109.4°
C13	C14	F1	113.1°	109.5°
C14	C13	C12	118.2°	120.1°
C13	C12	C11	120.8°	120.2°
C13	C12	H4	119.6°	119.9°
C10	C11	C12	120.6°	120.3°
C11	C10	H1	120.3°	119.9°
C10	C11	H3	119.7°	119.8°
C12	C11	H3	119.7°	119.9°
C11	C12	H4	119.6°	119.8°
H8	C22	H9	109.4°	109.4°
H10	C23	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C27	C26	C25	H13	180.0°	180.0°
C26	C27	C28	H14	180.0°	179.9°
C27	C26	C25	C24	0.3°	0.1°
C26	C27	C28	C29	0.1°	0.0°
C27	C26	C25	H12	179.7°	180.0°
C26	C27	C28	H15	179.9°	180.0°
C25	C26	C27	C28	0.3°	0.0°
C26	C25	C24	H12	180.0°	180.0°
C26	C25	C24	C29	1.1°	0.0°
C26	C25	C24	C23	179.5°	179.8°
C25	C26	C27	H14	179.7°	180.0°
C27	C28	C29	H15	180.0°	179.9°
C27	C28	C29	C24	0.7°	0.1°
C28	C27	C26	H13	179.7°	180.0°
C27	C28	C29	H16	179.3°	179.8°
C25	C24	C29	C28	1.3°	0.0°
C25	C24	C29	C23	178.4°	179.8°
C25	C24	C23	C22	7.5°	89.7°
C25	C24	C23	H10	128.7°	150.3°
C25	C24	C23	H11	113.6°	30.2°
C24	C25	C26	H13	179.7°	180.0°
C25	C24	C29	H16	178.6°	179.7°
C28	C29	C24	H16	180.0°	179.7°
C28	C29	C24	C23	179.7°	179.7°
C29	C28	C27	H14	179.9°	179.9°
C29	C24	C23	C22	174.1°	90.0°
C29	C24	C23	H10	53.0°	30.0°
C29	C24	C23	H11	64.8°	150.0°
C29	C24	C25	H12	178.9°	180.0°
C24	C29	C28	H15	179.3°	180.0°
C24	C23	C22	H10	121.2°	120.0°
C24	C23	C22	H11	121.1°	120.0°
C24	C23	C22	O4	113.2°	175.1°
C24	C23	C22	H8	126.9°	55.1°
C24	C23	C22	H9	6.6°	64.9°
C24	C23	H10	H11	116.4°	120.0°
C23	C24	C25	H12	0.5°	0.3°
C23	C24	C29	H16	0.2°	0.0°
CL2	C18	C19	C17	179.4°	179.7°
CL2	C18	C19	C20	178.8°	180.0°
CL2	C18	C17	C16	179.8°	179.7°
CL2	C18	C17	H6	0.2°	0.3°
CL2	C18	C19	H7	1.2°	0.4°
C23	C22	O4	H8	119.8°	120.1°
C23	C22	O4	H9	119.8°	120.0°
C23	C22	O4	C21	67.2°	175.2°
C23	C22	H8	H9	120.5°	120.0°
C22	C23	H10	H11	116.4°	120.0°
C22	O4	C21	C30	2.7°	5.2°
C22	O4	C21	C5	179.7°	174.8°
O4	C22	H8	H9	120.6°	119.9°
O4	C22	C23	H10	7.9°	55.1°
O4	C22	C23	H11	125.6°	64.9°
O4	C21	C30	C5	176.9°	180.0°
O4	C21	C30	C2	178.2°	180.0°
O4	C21	C5	C6	6.2°	0.0°
O4	C21	C5	C4	179.7°	179.7°
C21	O4	C22	H8	52.6°	64.7°
C21	O4	C22	H9	173.0°	55.2°
O4	C21	C30	H18	1.8°	0.0°
C18	C19	C20	H7	180.0°	179.6°
C19	C18	C17	C16	0.4°	0.1°
C18	C19	C20	C6	179.9°	180.0°
C18	C19	C20	C15	1.0°	0.6°
C19	C18	C17	H6	179.6°	180.0°
C17	C18	C19	C20	0.6°	0.4°
C18	C17	C16	H6	180.0°	179.9°
C18	C17	C16	C15	1.1°	0.0°
C18	C17	C16	H5	178.9°	179.9°
C17	C18	C19	H7	179.4°	180.0°
O1	C1	C2	C30	13.5°	0.3°
O1	C1	C2	O2	178.8°	179.9°
O1	C1	C2	C3	168.1°	180.0°
O1	C1	O2	H19	0.0°	0.1°
C19	C20	C6	C15	179.1°	179.4°
C19	C20	C15	C16	0.3°	0.6°
C19	C20	C6	C5	4.3°	0.1°
C19	C20	C6	N1	178.8°	180.0°
C19	C20	C15	N2	180.0°	179.7°
C21	C30	C2	H18	180.0°	180.0°
C21	C30	C2	C1	179.2°	180.0°
C21	C30	C2	C3	0.8°	0.3°
C30	C21	C5	C6	176.6°	180.0°
C30	C21	C5	C4	3.1°	0.3°
C2	C30	C21	C5	1.3°	0.0°
C30	C2	C1	C3	178.4°	179.7°
C30	C2	C1	O2	165.3°	179.7°
C30	C2	C3	C4	1.0°	0.3°
C30	C2	C3	H17	179.0°	180.0°
C17	C16	C15	C20	0.8°	0.3°
C17	C16	C15	H5	180.0°	179.9°
C17	C16	C15	N2	178.9°	180.0°
C21	C5	C6	C20	41.3°	134.0°
C21	C5	C6	C4	173.5°	179.7°
C21	C5	C6	N1	144.8°	46.0°
C21	C5	C4	C3	3.0°	0.3°
C21	C5	C4	H2	177.0°	179.7°
C5	C21	C30	H18	178.8°	180.0°
C1	C2	C3	C4	179.3°	180.0°
C1	C2	C3	H17	0.6°	0.3°
C1	C2	C30	H18	0.8°	0.0°
C2	C1	O2	H19	178.8°	180.0°
O2	C1	C2	C3	13.1°	0.0°
C2	C3	C4	C5	0.9°	0.0°
C2	C3	C4	H17	180.0°	179.7°
C2	C3	C4	H2	179.1°	180.0°
C3	C2	C30	H18	179.2°	179.7°
C6	C20	C15	C16	179.5°	179.9°
C20	C6	C5	N1	173.9°	179.9°
C20	C6	C5	C4	132.2°	46.3°
C6	C20	C15	N2	0.8°	0.1°
C20	C6	N1	N2	2.6°	0.7°
C6	C20	C19	H7	0.1°	0.4°
C20	C15	C16	N2	179.6°	179.7°
C15	C20	C6	C5	176.6°	179.5°
C15	C20	C6	N1	2.2°	0.5°
C20	C15	N2	N1	0.7°	0.3°
C20	C15	N2	C7	177.8°	179.7°
C20	C15	C16	H5	179.3°	179.6°
C15	C20	C19	H7	179.1°	179.8°
C16	C15	N2	N1	178.9°	179.4°
C16	C15	N2	C7	1.9°	0.0°
C15	C16	C17	H6	178.9°	180.0°
C6	C5	C4	C3	176.6°	180.0°
C5	C6	N1	N2	177.6°	179.3°
C6	C5	C4	H2	3.4°	0.0°
C4	C5	C6	N1	41.8°	133.8°
C5	C4	C3	H2	180.0°	180.0°
C5	C4	C3	H17	179.1°	179.7°
C6	N1	N2	C15	2.1°	0.7°
C6	N1	N2	C7	179.5°	179.9°
C15	N2	N1	C7	177.4°	179.5°
C15	N2	C7	O3	25.5°	94.7°
C15	N2	C7	C8	155.1°	85.3°
N2	C15	C16	H5	1.1°	0.0°
N1	N2	C7	O3	157.7°	84.7°
N1	N2	C7	C8	21.8°	95.3°
N2	C7	O3	C8	179.4°	180.0°
N2	C7	C8	C9	53.8°	6.1°
N2	C7	C8	C13	126.0°	173.5°
O3	C7	C8	C9	126.8°	174.0°
O3	C7	C8	C13	53.4°	6.4°
C7	C8	C9	CL1	0.7°	0.4°
C7	C8	C9	C13	179.8°	179.6°
C7	C8	C9	C10	179.6°	179.9°
C7	C8	C13	C14	2.0°	0.4°
C7	C8	C13	C12	179.6°	179.8°
F3	C14	C13	C8	42.0°	59.9°
F3	C14	F2	C13	125.2°	120.0°
F3	C14	F2	F1	112.3°	120.0°
F3	C14	C13	F1	121.8°	120.0°
F3	C14	C13	C12	140.2°	120.2°
CL1	C9	C8	C10	179.7°	179.5°
CL1	C9	C8	C13	179.5°	180.0°
CL1	C9	C10	C11	179.3°	179.9°
CL1	C9	C10	H1	0.7°	0.3°
C9	C8	C13	C14	178.2°	180.0°
C9	C8	C13	C12	0.5°	0.2°
C8	C9	C10	C11	0.4°	0.6°
C8	C9	C10	H1	179.6°	179.8°
C13	C8	C9	C10	0.3°	0.5°
C8	C13	C14	F2	79.1°	180.0°
C8	C13	C14	C12	177.7°	179.8°
C8	C13	C14	F1	163.9°	60.1°
C8	C13	C12	C11	1.1°	0.0°
C8	C13	C12	H4	178.9°	180.0°
C9	C10	C11	H1	180.0°	179.6°
C9	C10	C11	C12	0.2°	0.3°
C9	C10	C11	H3	179.8°	179.7°
F2	C14	C13	F1	117.0°	119.9°
F2	C14	C13	C12	98.6°	0.2°
C14	C13	C12	C11	179.0°	179.8°
C14	C13	C12	H4	1.1°	0.2°
F1	C14	C13	C12	18.4°	119.8°
C13	C12	C11	C10	1.0°	0.0°
C13	C12	C11	H4	180.0°	180.0°
C13	C12	C11	H3	179.0°	180.0°
C10	C11	C12	H3	180.0°	179.9°
C10	C11	C12	H4	179.0°	179.9°
C12	C11	C10	H1	179.8°	180.0°
H1	C10	C11	H3	0.2°	0.1°
H2	C4	C3	H17	0.9°	0.3°
H3	C11	C12	H4	1.0°	0.0°
H5	C16	C17	H6	1.1°	0.0°
H8	C22	C23	H10	111.9°	65.0°
H8	C22	C23	H11	5.8°	175.0°
H9	C22	C23	H10	127.7°	175.0°
H9	C22	C23	H11	114.5°	55.0°
H12	C25	C26	H13	0.3°	0.0°
H13	C26	C27	H14	0.3°	0.1°
H14	C27	C28	H15	0.1°	0.0°
H15	C28	C29	H16	0.8°	0.3°

Release date:	2025-10-08
Definition date:	2024-09-30
Last modified:	2025-10-03
Release status:	REL
Processing site:	PDBE
Derived from:	9GXD