A1E02

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F10	C07	sing	1.40Å	0.00Å
C07	F09	sing	1.40Å	0.00Å
C07	C06	sing	1.51Å	0.00Å
C07	F08	sing	1.40Å	0.00Å
C05	C06	doub	1.38Å	0.00Å	Aromatic
C05	C04	sing	1.39Å	0.00Å	Aromatic
C06	C01	sing	1.38Å	0.00Å	Aromatic
F22	C21	sing	1.40Å	0.00Å
N11	C04	sing	1.39Å	0.00Å
N11	C12	sing	1.35Å	0.00Å
C04	C03	doub	1.40Å	0.00Å	Aromatic
C01	C02	doub	1.38Å	0.00Å	Aromatic
C12	O13	doub	1.22Å	0.00Å
C12	N14	sing	1.35Å	0.00Å
C03	C02	sing	1.39Å	0.00Å	Aromatic
C03	N14	sing	1.39Å	0.00Å
F24	C21	sing	1.40Å	0.00Å
N14	C15	sing	1.40Å	0.00Å
C20	C15	doub	1.39Å	0.00Å	Aromatic
C20	C19	sing	1.38Å	0.00Å	Aromatic
C21	C19	sing	1.51Å	0.00Å
C21	F23	sing	1.40Å	0.00Å
C15	C16	sing	1.39Å	0.00Å	Aromatic
C19	C18	doub	1.38Å	0.00Å	Aromatic
C16	O25	sing	1.36Å	0.00Å
C16	C17	doub	1.38Å	0.00Å	Aromatic
C18	C17	sing	1.38Å	0.00Å	Aromatic
C17	H1	sing	1.08Å	0.00Å
C20	H2	sing	1.08Å	0.00Å
C01	H3	sing	1.08Å	0.00Å
C02	H4	sing	1.08Å	0.00Å
C05	H5	sing	1.08Å	0.00Å
C18	H6	sing	1.08Å	0.00Å
N11	H7	sing	0.97Å	0.00Å
O25	H8	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F10	C07	F09	90.0°	109.4°
F10	C07	C06	90.0°	109.5°
F10	C07	F08	90.0°	109.5°
F09	C07	C06	90.0°	109.5°
F09	C07	F08	90.0°	109.4°
C06	C07	F08	90.0°	109.5°
C07	C06	C05	90.0°	119.9°
C07	C06	C01	90.0°	119.9°
C06	C05	C04	90.0°	119.9°
C05	C06	C01	90.0°	120.3°
C06	C05	H5	90.0°	120.1°
C05	C04	N11	90.0°	133.3°
C05	C04	C03	90.0°	119.9°
C04	C05	H5	90.0°	120.1°
C06	C01	C02	90.0°	120.3°
C06	C01	H3	90.0°	119.9°
F22	C21	F24	90.0°	109.5°
F22	C21	C19	90.0°	109.5°
F22	C21	F23	90.0°	109.5°
C04	N11	C12	90.0°	108.4°
N11	C04	C03	90.0°	106.8°
C04	N11	H7	90.0°	125.8°
N11	C12	O13	90.0°	125.2°
N11	C12	N14	90.0°	109.6°
C12	N11	H7	90.0°	125.8°
C04	C03	C02	90.0°	119.9°
C04	C03	N14	90.0°	106.8°
C01	C02	C03	90.0°	119.9°
C02	C01	H3	90.0°	119.8°
C01	C02	H4	90.0°	120.1°
O13	C12	N14	90.0°	125.1°
C12	N14	C03	90.0°	108.4°
C12	N14	C15	90.0°	125.8°
C02	C03	N14	90.0°	133.4°
C03	C02	H4	90.0°	120.1°
C03	N14	C15	90.0°	125.8°
F24	C21	C19	90.0°	109.4°
F24	C21	F23	90.0°	109.5°
N14	C15	C20	90.0°	120.1°
N14	C15	C16	90.0°	120.1°
C15	C20	C19	90.0°	120.0°
C20	C15	C16	90.0°	119.8°
C15	C20	H2	90.0°	120.0°
C20	C19	C21	90.0°	119.9°
C20	C19	C18	90.0°	120.1°
C19	C20	H2	90.0°	120.0°
C19	C21	F23	90.0°	109.5°
C21	C19	C18	90.0°	120.0°
C15	C16	O25	90.0°	120.1°
C15	C16	C17	90.0°	119.8°
C19	C18	C17	90.0°	120.2°
C19	C18	H6	90.0°	119.9°
O25	C16	C17	90.0°	120.1°
C16	O25	H8	90.0°	114.0°
C16	C17	C18	90.0°	120.0°
C16	C17	H1	90.0°	120.0°
C18	C17	H1	90.0°	120.0°
C17	C18	H6	90.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F10	C07	F09	C06	90.0°	120.0°
F10	C07	F09	F08	90.0°	119.9°
F10	C07	C06	F08	90.0°	120.0°
F10	C07	C06	C05	90.0°	150.0°
F10	C07	C06	C01	90.0°	29.5°
F09	C07	C06	F08	90.0°	120.0°
F09	C07	C06	C05	90.0°	90.0°
F09	C07	C06	C01	90.0°	90.5°
C07	C06	C05	C01	90.0°	179.5°
C07	C06	C05	C04	90.0°	180.0°
C07	C06	C01	C02	90.0°	180.0°
C07	C06	C01	H3	90.0°	0.2°
C07	C06	C05	H5	90.0°	0.5°
F08	C07	C06	C05	90.0°	30.0°
F08	C07	C06	C01	90.0°	149.5°
C06	C05	C04	H5	90.0°	179.6°
C06	C05	C04	N11	90.0°	179.8°
C06	C05	C04	C03	90.0°	0.2°
C05	C06	C01	C02	90.0°	0.4°
C05	C06	C01	H3	90.0°	179.8°
C04	C05	C06	C01	90.0°	0.4°
C05	C04	N11	C03	90.0°	180.0°
C05	C04	N11	C12	90.0°	180.0°
C05	C04	C03	C02	90.0°	0.0°
C05	C04	C03	N14	90.0°	180.0°
C05	C04	N11	H7	90.0°	0.0°
C06	C01	C02	H3	90.0°	179.8°
C06	C01	C02	C03	90.0°	0.2°
C06	C01	C02	H4	90.0°	179.7°
C01	C06	C05	H5	90.0°	180.0°
F22	C21	F24	C19	90.0°	120.0°
F22	C21	F24	F23	90.0°	120.0°
F22	C21	C19	C20	90.0°	30.1°
F22	C21	C19	F23	90.0°	120.0°
F22	C21	C19	C18	90.0°	150.0°
C04	N11	C12	H7	90.0°	179.9°
C04	N11	C12	O13	90.0°	180.0°
C04	N11	C12	N14	90.0°	0.0°
N11	C04	C03	C02	90.0°	180.0°
N11	C04	C03	N14	90.0°	0.0°
N11	C04	C05	H5	90.0°	0.2°
C12	N11	C04	C03	90.0°	0.0°
N11	C12	O13	N14	90.0°	180.0°
N11	C12	N14	C03	90.0°	0.0°
N11	C12	N14	C15	90.0°	180.0°
C04	C03	C02	C01	90.0°	0.1°
C04	C03	N14	C12	90.0°	0.0°
C04	C03	C02	N14	90.0°	179.9°
C04	C03	N14	C15	90.0°	180.0°
C04	C03	C02	H4	90.0°	180.0°
C03	C04	C05	H5	90.0°	179.8°
C03	C04	N11	H7	90.0°	179.9°
C01	C02	C03	H4	90.0°	179.9°
C01	C02	C03	N14	90.0°	180.0°
O13	C12	N14	C03	90.0°	180.0°
O13	C12	N14	C15	90.0°	0.0°
O13	C12	N11	H7	90.0°	0.0°
C12	N14	C03	C02	90.0°	180.0°
C12	N14	C03	C15	90.0°	180.0°
C12	N14	C15	C20	90.0°	89.7°
C12	N14	C15	C16	90.0°	90.0°
N14	C12	N11	H7	90.0°	180.0°
C02	C03	N14	C15	90.0°	0.1°
C03	C02	C01	H3	90.0°	180.0°
C03	N14	C15	C20	90.0°	90.3°
C03	N14	C15	C16	90.0°	90.0°
N14	C03	C02	H4	90.0°	0.1°
F24	C21	C19	C20	90.0°	150.0°
F24	C21	C19	F23	90.0°	120.0°
F24	C21	C19	C18	90.0°	30.1°
N14	C15	C20	C16	90.0°	179.7°
N14	C15	C20	C19	90.0°	179.8°
N14	C15	C16	O25	90.0°	0.2°
N14	C15	C16	C17	90.0°	179.7°
N14	C15	C20	H2	90.0°	0.3°
C15	C20	C19	H2	90.0°	180.0°
C15	C20	C19	C21	90.0°	180.0°
C15	C20	C19	C18	90.0°	0.1°
C20	C15	C16	O25	90.0°	180.0°
C20	C15	C16	C17	90.0°	0.0°
C20	C19	C21	C18	90.0°	179.9°
C20	C19	C21	F23	90.0°	89.9°
C19	C20	C15	C16	90.0°	0.0°
C20	C19	C18	C17	90.0°	0.1°
C20	C19	C18	H6	90.0°	180.0°
C21	C19	C18	C17	90.0°	180.0°
C21	C19	C20	H2	90.0°	0.1°
C21	C19	C18	H6	90.0°	0.1°
F23	C21	C19	C18	90.0°	89.9°
C15	C16	O25	C17	90.0°	180.0°
C15	C16	C17	C18	90.0°	0.0°
C15	C16	C17	H1	90.0°	180.0°
C16	C15	C20	H2	90.0°	180.0°
C15	C16	O25	H8	90.0°	90.0°
C19	C18	C17	C16	90.0°	0.0°
C19	C18	C17	H6	90.0°	179.9°
C19	C18	C17	H1	90.0°	179.9°
C18	C19	C20	H2	90.0°	180.0°
O25	C16	C17	C18	90.0°	180.0°
O25	C16	C17	H1	90.0°	0.1°
C16	C17	C18	H1	90.0°	179.9°
C16	C17	C18	H6	90.0°	180.0°
C17	C16	O25	H8	90.0°	90.0°
H1	C17	C18	H6	90.0°	0.0°
H3	C01	C02	H4	90.0°	0.1°

Release date:	2026-02-04
Definition date:	2025-11-18
Last modified:	2026-01-30
Release status:	REL
Processing site:	PDBC