A1IQE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C26	C27	doub	1.38Å	1.37Å	Aromatic
C26	C25	sing	1.38Å	1.38Å	Aromatic
C27	C28	sing	1.38Å	1.39Å	Aromatic
C25	C24	doub	1.38Å	1.39Å	Aromatic
C28	C23	doub	1.38Å	1.38Å	Aromatic
C24	C23	sing	1.38Å	1.38Å	Aromatic
C23	C22	sing	1.51Å	1.50Å
C18	C19	doub	1.37Å	1.38Å	Aromatic
C18	C17	sing	1.39Å	1.40Å	Aromatic
C19	C20	sing	1.40Å	1.40Å	Aromatic
O1	C1	doub	1.21Å	1.25Å
C1	O2	sing	1.35Å	1.25Å
C1	C2	sing	1.48Å	1.50Å
C17	C16	doub	1.38Å	1.38Å	Aromatic
C2	C29	doub	1.40Å	1.39Å	Aromatic
C2	C3	sing	1.40Å	1.39Å	Aromatic
C29	C21	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C21	O4	sing	1.36Å	1.36Å
C21	C5	doub	1.40Å	1.40Å	Aromatic
C20	C6	sing	1.47Å	1.40Å	Aromatic
C20	C15	doub	1.41Å	1.43Å	Aromatic
O4	C22	sing	1.43Å	1.43Å
C4	C5	sing	1.40Å	1.39Å	Aromatic
CL1	C9	sing	1.74Å	1.74Å
C5	C6	sing	1.48Å	1.47Å
C16	C15	sing	1.39Å	1.39Å	Aromatic
C6	N1	doub	1.31Å	1.33Å	Aromatic
C15	N2	sing	1.38Å	1.38Å	Aromatic
N1	N2	sing	1.40Å	1.36Å	Aromatic
N2	C7	sing	1.35Å	1.40Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C7	O3	doub	1.22Å	1.21Å
C7	C8	sing	1.48Å	1.50Å
C8	C13	doub	1.40Å	1.41Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.51Å	1.49Å
F3	C14	sing	1.40Å	1.33Å
C14	F1	sing	1.40Å	1.33Å
C14	F2	sing	1.40Å	1.33Å
C4	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C22	H10	sing	1.09Å	1.10Å
C22	H11	sing	1.09Å	1.10Å
C24	H12	sing	1.08Å	1.08Å
C25	H13	sing	1.08Å	1.08Å
C26	H14	sing	1.08Å	1.08Å
C27	H15	sing	1.08Å	1.08Å
C28	H16	sing	1.08Å	1.08Å
C29	H17	sing	1.08Å	1.08Å
O2	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C27	C26	C25	119.8°	120.0°
C26	C27	C28	120.3°	120.0°
C27	C26	H14	120.1°	120.0°
C26	C27	H15	119.9°	120.0°
C26	C25	C24	119.9°	120.0°
C26	C25	H13	120.0°	120.0°
C25	C26	H14	120.1°	120.0°
C27	C28	C23	120.4°	120.0°
C28	C27	H15	119.8°	120.0°
C27	C28	H16	119.8°	120.0°
C25	C24	C23	120.8°	120.0°
C25	C24	H12	119.6°	119.9°
C24	C25	H13	120.0°	120.0°
C28	C23	C24	118.7°	120.0°
C28	C23	C22	121.2°	120.0°
C23	C28	H16	119.8°	120.0°
C24	C23	C22	120.1°	120.0°
C23	C24	H12	119.6°	120.0°
C23	C22	O4	114.0°	109.5°
C23	C22	H10	108.3°	109.5°
C23	C22	H11	108.3°	109.5°
C19	C18	C17	121.3°	120.5°
C18	C19	C20	118.4°	119.8°
C19	C18	H8	119.3°	119.8°
C18	C19	H9	120.8°	120.1°
C18	C17	C16	122.1°	120.6°
C18	C17	H7	118.9°	119.6°
C17	C18	H8	119.4°	119.7°
C19	C20	C6	134.8°	133.8°
C19	C20	C15	119.3°	119.9°
C20	C19	H9	120.8°	120.1°
O1	C1	O2	124.4°	120.0°
O1	C1	C2	117.8°	120.0°
O2	C1	C2	117.7°	120.0°
C1	O2	H18	109.5°	117.0°
C1	C2	C29	119.9°	120.0°
C1	C2	C3	120.2°	120.0°
C17	C16	C15	116.8°	119.8°
C17	C16	H6	121.6°	120.1°
C16	C17	H7	118.9°	119.7°
C29	C2	C3	119.8°	120.1°
C2	C29	C21	120.2°	119.9°
C2	C29	H17	119.9°	120.1°
C2	C3	C4	120.2°	120.1°
C2	C3	H5	119.9°	120.0°
C29	C21	O4	122.7°	120.0°
C29	C21	C5	120.2°	120.0°
C21	C29	H17	119.9°	120.1°
C3	C4	C5	120.7°	120.1°
C3	C4	H1	119.6°	119.9°
C4	C3	H5	119.9°	120.0°
O4	C21	C5	117.1°	120.0°
C21	O4	C22	119.3°	117.0°
C21	C5	C4	118.8°	119.9°
C21	C5	C6	121.9°	120.0°
C6	C20	C15	105.8°	106.3°
C20	C6	C5	133.1°	126.2°
C20	C6	N1	110.1°	107.6°
C20	C15	C16	122.0°	119.4°
C20	C15	N2	105.8°	106.9°
O4	C22	H10	108.3°	109.5°
O4	C22	H11	108.3°	109.5°
C4	C5	C6	119.3°	120.0°
C5	C4	H1	119.6°	120.0°
CL1	C9	C10	117.8°	120.1°
CL1	C9	C8	121.1°	120.1°
C5	C6	N1	116.8°	126.2°
C16	C15	N2	132.2°	133.7°
C15	C16	H6	121.6°	120.1°
C6	N1	N2	108.2°	110.0°
C15	N2	N1	110.1°	109.2°
C15	N2	C7	129.5°	125.4°
N1	N2	C7	120.4°	125.4°
N2	C7	O3	118.9°	120.0°
N2	C7	C8	118.8°	120.0°
C10	C9	C8	121.1°	119.8°
C9	C10	C11	119.7°	120.1°
C9	C10	H3	120.2°	119.9°
C9	C8	C7	121.6°	120.2°
C9	C8	C13	118.9°	119.6°
C10	C11	C12	120.3°	120.4°
C10	C11	H2	119.8°	119.8°
C11	C10	H3	120.2°	119.9°
O3	C7	C8	122.2°	120.0°
C7	C8	C13	119.5°	120.2°
C8	C13	C12	119.2°	119.9°
C8	C13	C14	122.2°	120.1°
C11	C12	C13	120.8°	120.1°
C12	C11	H2	119.8°	119.8°
C11	C12	H4	119.6°	119.9°
C12	C13	C14	118.6°	120.0°
C13	C12	H4	119.6°	119.9°
C13	C14	F3	113.1°	109.4°
C13	C14	F1	112.6°	109.5°
C13	C14	F2	112.4°	109.5°
F3	C14	F1	106.2°	109.5°
F3	C14	F2	106.2°	109.5°
F1	C14	F2	105.7°	109.5°
H10	C22	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C27	C26	C25	H14	180.0°	179.7°
C26	C27	C28	H15	180.0°	179.6°
C27	C26	C25	C24	0.0°	0.0°
C26	C27	C28	C23	0.1°	0.6°
C27	C26	C25	H13	179.9°	180.0°
C26	C27	C28	H16	180.0°	180.0°
C25	C26	C27	C28	0.1°	0.3°
C26	C25	C24	H13	180.0°	180.0°
C26	C25	C24	C23	0.3°	0.0°
C26	C25	C24	H12	179.7°	180.0°
C25	C26	C27	H15	179.8°	179.9°
C27	C28	C23	H16	180.0°	179.4°
C27	C28	C23	C24	0.4°	0.6°
C27	C28	C23	C22	179.8°	179.7°
C28	C27	C26	H14	179.9°	180.0°
C25	C24	C23	C28	0.5°	0.3°
C25	C24	C23	H12	180.0°	180.0°
C25	C24	C23	C22	179.9°	180.0°
C24	C25	C26	H14	180.0°	179.7°
C28	C23	C24	C22	179.4°	179.7°
C28	C23	C22	O4	0.4°	85.4°
C28	C23	C22	H10	121.1°	34.7°
C28	C23	C22	H11	120.2°	154.6°
C28	C23	C24	H12	179.5°	179.7°
C23	C28	C27	H15	179.9°	179.8°
C24	C23	C22	O4	178.9°	94.9°
C24	C23	C22	H10	58.3°	145.0°
C24	C23	C22	H11	60.4°	25.1°
C23	C24	C25	H13	179.7°	180.0°
C24	C23	C28	H16	179.6°	180.0°
C23	C22	O4	C21	92.3°	175.3°
C23	C22	O4	H10	120.6°	120.0°
C23	C22	O4	H11	120.7°	120.0°
C23	C22	H10	H11	118.0°	119.9°
C22	C23	C24	H12	0.1°	0.0°
C22	C23	C28	H16	0.3°	0.3°
C19	C18	C17	H8	180.0°	179.7°
C18	C19	C20	H9	180.0°	179.8°
C19	C18	C17	C16	0.1°	0.0°
C18	C19	C20	C6	178.2°	179.6°
C18	C19	C20	C15	0.5°	0.5°
C19	C18	C17	H7	179.9°	180.0°
C17	C18	C19	C20	0.1°	0.3°
C18	C17	C16	H7	180.0°	180.0°
C18	C17	C16	C15	0.1°	0.0°
C18	C17	C16	H6	179.9°	180.0°
C17	C18	C19	H9	179.9°	180.0°
C19	C20	C6	C15	178.0°	179.2°
C19	C20	C6	C5	3.6°	0.7°
C19	C20	C15	C16	0.7°	0.5°
C19	C20	C6	N1	179.9°	179.6°
C19	C20	C15	N2	179.5°	179.7°
C20	C19	C18	H8	179.9°	179.9°
O1	C1	O2	C2	176.3°	180.0°
O1	C1	C2	C29	168.7°	0.0°
O1	C1	C2	C3	10.5°	180.0°
O1	C1	O2	H18	0.0°	0.0°
O2	C1	C2	C29	14.8°	180.0°
O2	C1	C2	C3	166.0°	0.0°
C1	C2	C29	C3	179.2°	180.0°
C1	C2	C29	C21	180.0°	179.8°
C1	C2	C3	C4	179.4°	179.9°
C1	C2	C3	H5	0.6°	0.0°
C1	C2	C29	H17	0.0°	0.0°
C2	C1	O2	H18	176.3°	180.0°
C17	C16	C15	C20	0.5°	0.2°
C17	C16	C15	H6	180.0°	180.0°
C17	C16	C15	N2	179.7°	180.0°
C16	C17	C18	H8	179.9°	179.7°
C2	C29	C21	H17	180.0°	179.8°
C29	C2	C3	C4	1.4°	0.1°
C2	C29	C21	O4	179.5°	180.0°
C2	C29	C21	C5	0.5°	0.5°
C29	C2	C3	H5	178.6°	180.0°
C3	C2	C29	C21	0.8°	0.2°
C2	C3	C4	H5	180.0°	180.0°
C2	C3	C4	C5	1.8°	0.1°
C2	C3	C4	H1	178.2°	179.7°
C3	C2	C29	H17	179.2°	180.0°
C29	C21	O4	C5	180.0°	179.5°
C29	C21	O4	C22	9.4°	5.2°
C29	C21	C5	C4	0.9°	0.5°
C29	C21	C5	C6	178.1°	179.4°
C3	C4	C5	C21	1.5°	0.2°
C3	C4	C5	H1	180.0°	179.8°
C3	C4	C5	C6	178.8°	179.7°
O4	C21	C5	C4	179.1°	179.9°
O4	C21	C5	C6	1.9°	0.0°
C21	O4	C22	H10	147.1°	64.7°
C21	O4	C22	H11	28.4°	55.3°
O4	C21	C29	H17	0.5°	0.2°
C21	C5	C6	C20	41.0°	133.6°
C5	C21	O4	C22	170.6°	174.3°
C21	C5	C4	C6	177.3°	179.9°
C21	C5	C6	N1	142.8°	46.7°
C21	C5	C4	H1	178.5°	180.0°
C5	C21	C29	H17	179.5°	179.7°
C20	C6	C5	C4	141.7°	46.3°
C20	C6	C5	N1	176.2°	179.7°
C6	C20	C15	C16	179.0°	179.8°
C6	C20	C15	N2	1.1°	0.4°
C20	C6	N1	N2	2.2°	0.2°
C6	C20	C19	H9	1.8°	0.6°
C15	C20	C6	C5	178.4°	179.9°
C20	C15	C16	N2	179.8°	179.8°
C15	C20	C6	N1	2.1°	0.4°
C20	C15	N2	N1	0.2°	0.2°
C20	C15	N2	C7	178.8°	179.8°
C20	C15	C16	H6	179.5°	179.8°
C15	C20	C19	H9	179.5°	179.7°
O4	C22	H10	H11	118.0°	120.0°
C4	C5	C6	N1	34.4°	133.4°
C5	C4	C3	H5	178.2°	179.9°
CL1	C9	C10	C8	179.2°	179.5°
CL1	C9	C10	C11	178.9°	180.0°
CL1	C9	C8	C7	0.9°	0.3°
CL1	C9	C8	C13	179.5°	179.8°
CL1	C9	C10	H3	1.1°	0.0°
C5	C6	N1	N2	179.2°	180.0°
C6	C5	C4	H1	1.2°	0.1°
C16	C15	N2	N1	179.7°	180.0°
C16	C15	N2	C7	1.0°	0.0°
C15	C16	C17	H7	179.9°	180.0°
C6	N1	N2	C15	1.5°	0.0°
C6	N1	N2	C7	179.7°	180.0°
C15	N2	N1	C7	178.8°	180.0°
C15	N2	C7	O3	20.4°	94.7°
C15	N2	C7	C8	159.9°	85.3°
N2	C15	C16	H6	0.3°	0.0°
N1	N2	C7	O3	161.1°	85.2°
N1	N2	C7	C8	18.6°	94.7°
N2	C7	C8	C9	54.2°	6.4°
N2	C7	O3	C8	179.7°	180.0°
N2	C7	C8	C13	125.4°	174.1°
C9	C10	C11	H3	180.0°	179.9°
C10	C9	C8	C7	180.0°	179.8°
C10	C9	C8	C13	0.3°	0.7°
C9	C10	C11	C12	0.0°	0.1°
C9	C10	C11	H2	180.0°	179.7°
C8	C9	C10	C11	0.2°	0.4°
C9	C8	C7	O3	126.1°	173.6°
C9	C8	C7	C13	179.6°	179.5°
C9	C8	C13	C12	1.1°	0.5°
C9	C8	C13	C14	179.8°	180.0°
C8	C9	C10	H3	179.8°	179.5°
C10	C11	C12	H2	180.0°	179.7°
C10	C11	C12	C13	0.8°	0.3°
C10	C11	C12	H4	179.2°	179.6°
O3	C7	C8	C13	54.3°	5.9°
C7	C8	C13	C12	179.2°	180.0°
C7	C8	C13	C14	0.6°	0.5°
C8	C13	C12	C11	1.4°	0.0°
C8	C13	C12	C14	178.7°	179.4°
C8	C13	C14	F3	46.8°	60.0°
C8	C13	C14	F1	73.5°	180.0°
C8	C13	C14	F2	167.2°	60.0°
C8	C13	C12	H4	178.7°	179.9°
C11	C12	C13	H4	180.0°	179.9°
C11	C12	C13	C14	179.9°	179.5°
C12	C11	C10	H3	180.0°	180.0°
C12	C13	C14	F3	134.5°	120.6°
C12	C13	C14	F1	105.1°	0.6°
C12	C13	C14	F2	14.2°	119.5°
C13	C12	C11	H2	179.2°	180.0°
C13	C14	F3	F1	123.9°	120.0°
C13	C14	F3	F2	123.8°	120.0°
C13	C14	F1	F2	123.1°	120.0°
C14	C13	C12	H4	0.0°	0.6°
F3	C14	F1	F2	112.6°	120.0°
H1	C4	C3	H5	1.8°	0.2°
H2	C11	C10	H3	0.0°	0.3°
H2	C11	C12	H4	0.8°	0.1°
H6	C16	C17	H7	0.1°	0.0°
H7	C17	C18	H8	0.1°	0.3°
H8	C18	C19	H9	0.1°	0.3°
H12	C24	C25	H13	0.3°	0.0°
H13	C25	C26	H14	0.0°	0.3°
H14	C26	C27	H15	0.1°	0.4°
H15	C27	C28	H16	0.0°	0.4°

Release date:	2025-10-08
Definition date:	2024-09-30
Last modified:	2025-10-03
Release status:	REL
Processing site:	PDBE
Derived from:	9GX3