A1EUH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR	C11	sing	1.89Å	1.90Å
C12	C11	doub	1.39Å	1.38Å	Aromatic
C12	N2	sing	1.31Å	1.34Å	Aromatic
C11	C10	sing	1.39Å	1.37Å	Aromatic
N2	C8	doub	1.33Å	1.34Å	Aromatic
F4	C6	sing	1.40Å	1.33Å
F	C5	sing	1.40Å	1.36Å
F3	C6	sing	1.40Å	1.33Å
C10	C9	doub	1.39Å	1.38Å	Aromatic
C6	C5	sing	1.53Å	1.62Å
C6	F2	sing	1.40Å	1.33Å
C8	C9	sing	1.39Å	1.39Å	Aromatic
C8	C7	sing	1.48Å	1.50Å
N1	C7	sing	1.35Å	1.34Å
N1	C4	sing	1.46Å	1.44Å
C5	F1	sing	1.40Å	1.36Å
C5	C4	sing	1.53Å	1.58Å
C7	O	doub	1.22Å	1.23Å
C4	N	sing	1.47Å	1.44Å
N	C3	sing	1.40Å	1.39Å
C13	C3	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
C14	C	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C	C1	sing	1.38Å	1.38Å	Aromatic
C	CL	sing	1.74Å	1.74Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
N	H6	sing	0.97Å	1.00Å
C10	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
N1	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR	C11	C12	120.6°	120.3°
BR	C11	C10	119.7°	120.3°
C11	C12	N2	122.5°	120.9°
C12	C11	C10	119.7°	119.3°
C11	C12	H4	118.8°	119.6°
C12	N2	C8	117.5°	121.7°
N2	C12	H4	118.7°	119.5°
C11	C10	C9	118.8°	118.5°
C11	C10	H7	120.6°	120.7°
N2	C8	C9	123.1°	120.5°
N2	C8	C7	117.5°	119.7°
F4	C6	F3	107.5°	109.5°
F4	C6	C5	111.5°	109.5°
F4	C6	F2	107.5°	109.4°
F	C5	C6	105.9°	109.4°
F	C5	F1	106.6°	109.5°
F	C5	C4	114.3°	109.5°
F3	C6	C5	111.3°	109.5°
F3	C6	F2	107.5°	109.4°
C10	C9	C8	118.4°	119.1°
C9	C10	H7	120.6°	120.7°
C10	C9	H9	120.8°	120.5°
C5	C6	F2	111.3°	109.5°
C6	C5	F1	105.8°	109.4°
C6	C5	C4	114.0°	109.5°
C9	C8	C7	119.4°	119.7°
C8	C9	H9	120.8°	120.5°
C8	C7	N1	115.9°	120.0°
C8	C7	O	121.2°	120.0°
C7	N1	C4	122.0°	120.0°
N1	C7	O	122.9°	120.0°
C7	N1	H10	119.0°	120.0°
N1	C4	C5	108.0°	109.5°
N1	C4	N	111.2°	109.5°
N1	C4	H3	110.1°	109.5°
C4	N1	H10	118.9°	120.0°
F1	C5	C4	109.7°	109.5°
C5	C4	N	109.1°	109.5°
C5	C4	H3	108.3°	109.5°
C4	N	C3	122.5°	120.0°
N	C4	H3	110.1°	109.4°
C4	N	H6	106.1°	119.9°
N	C3	C13	120.6°	120.1°
N	C3	C2	120.1°	120.1°
C3	N	H6	106.1°	120.1°
C3	C13	C14	120.4°	120.0°
C13	C3	C2	119.3°	119.9°
C3	C13	H5	119.8°	120.1°
C13	C14	C	119.3°	120.1°
C14	C13	H5	119.8°	120.0°
C13	C14	H8	120.4°	120.0°
C3	C2	C1	120.4°	120.0°
C3	C2	H2	119.8°	120.0°
C14	C	C1	121.3°	120.1°
C14	C	CL	119.4°	120.0°
C	C14	H8	120.3°	120.0°
C2	C1	C	119.3°	120.0°
C2	C1	H1	120.4°	120.0°
C1	C2	H2	119.8°	120.0°
C1	C	CL	119.3°	119.9°
C	C1	H1	120.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR	C11	C12	C10	179.2°	179.7°
BR	C11	C12	N2	178.7°	179.7°
BR	C11	C10	C9	178.7°	179.7°
BR	C11	C12	H4	1.2°	0.3°
BR	C11	C10	H7	1.3°	0.3°
C11	C12	N2	H4	180.0°	180.0°
C11	C12	N2	C8	0.0°	0.0°
C12	C11	C10	C9	0.5°	0.1°
C12	C11	C10	H7	179.5°	180.0°
N2	C12	C11	C10	0.5°	0.0°
C12	N2	C8	C9	0.4°	0.0°
C12	N2	C8	C7	178.8°	180.0°
C11	C10	C9	H7	180.0°	180.0°
C11	C10	C9	C8	0.1°	0.1°
C10	C11	C12	H4	179.5°	180.0°
C11	C10	C9	H9	179.9°	180.0°
N2	C8	C9	C10	0.4°	0.1°
N2	C8	C9	C7	179.1°	179.9°
N2	C8	C7	N1	1.6°	0.0°
N2	C8	C7	O	179.6°	180.0°
C8	N2	C12	H4	180.0°	180.0°
N2	C8	C9	H9	179.6°	180.0°
F4	C6	C5	F	44.1°	65.0°
F4	C6	F3	C5	122.3°	120.1°
F4	C6	F3	F2	115.5°	119.9°
F4	C6	C5	F2	120.1°	120.0°
F4	C6	C5	F1	68.7°	55.0°
F4	C6	C5	C4	170.6°	175.1°
F	C5	C6	F3	75.9°	55.1°
F	C5	C6	F1	112.9°	120.0°
F	C5	C6	C4	126.5°	120.0°
F	C5	C6	F2	164.2°	175.0°
F	C5	C4	N1	67.4°	64.0°
F	C5	F1	C4	124.3°	120.0°
F	C5	C4	N	53.6°	56.1°
F	C5	C4	H3	173.4°	176.0°
F3	C6	C5	F2	119.9°	120.0°
F3	C6	C5	F1	171.2°	175.1°
F3	C6	C5	C4	50.6°	64.9°
C10	C9	C8	H9	180.0°	179.9°
C10	C9	C8	C7	178.7°	180.0°
C6	C5	C4	N1	54.5°	176.1°
C6	C5	F1	C4	123.4°	120.0°
C6	C5	C4	N	175.6°	63.8°
C6	C5	C4	H3	64.6°	56.1°
F2	C6	C5	F1	51.3°	65.0°
F2	C6	C5	C4	69.3°	55.1°
C9	C8	C7	N1	177.5°	180.0°
C9	C8	C7	O	1.2°	0.1°
C8	C9	C10	H7	179.9°	179.9°
C8	C7	N1	O	178.7°	179.9°
C8	C7	N1	C4	173.1°	180.0°
C7	C8	C9	H9	1.2°	0.1°
C8	C7	N1	H10	6.9°	0.1°
C7	N1	C4	H10	180.0°	179.9°
C7	N1	C4	C5	131.1°	135.1°
C7	N1	C4	N	109.2°	104.8°
C7	N1	C4	H3	13.1°	15.1°
N1	C4	C5	F1	172.9°	56.1°
N1	C4	C5	N	121.0°	120.1°
N1	C4	C5	H3	119.2°	120.0°
C4	N1	C7	O	5.7°	0.1°
N1	C4	N	H3	122.2°	120.0°
N1	C4	N	C3	67.8°	104.3°
N1	C4	N	H6	54.0°	75.6°
F1	C5	C4	N	66.0°	176.2°
F1	C5	C4	H3	53.8°	63.9°
C5	C4	N	H3	118.7°	120.0°
C5	C4	N	C3	173.2°	135.6°
C5	C4	N	H6	65.1°	44.5°
C5	C4	N1	H10	48.9°	44.9°
O	C7	N1	H10	174.3°	180.0°
C4	N	C3	H6	121.8°	179.9°
C4	N	C3	C13	148.8°	5.8°
C4	N	C3	C2	30.2°	174.3°
N	C4	N1	H10	70.8°	75.1°
N	C3	C13	C2	178.9°	179.9°
N	C3	C13	C14	178.4°	180.0°
N	C3	C2	C1	178.4°	180.0°
N	C3	C2	H2	1.6°	0.0°
C3	N	C4	H3	54.5°	15.6°
N	C3	C13	H5	1.6°	0.1°
C3	C13	C14	H5	180.0°	179.9°
C3	C13	C14	C	0.0°	0.2°
C13	C3	C2	C1	0.6°	0.0°
C13	C3	C2	H2	179.4°	180.0°
C13	C3	N	H6	27.0°	174.3°
C3	C13	C14	H8	180.0°	180.0°
C14	C13	C3	C2	0.5°	0.0°
C13	C14	C	H8	180.0°	179.8°
C13	C14	C	C1	0.5°	0.5°
C13	C14	C	CL	178.7°	179.7°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C	0.1°	0.3°
C3	C2	C1	H1	180.0°	180.0°
C2	C3	C13	H5	179.5°	180.0°
C2	C3	N	H6	151.9°	5.7°
C14	C	C1	C2	0.5°	0.5°
C14	C	C1	CL	179.3°	179.7°
C14	C	C1	H1	179.5°	179.7°
C	C14	C13	H5	180.0°	179.7°
C2	C1	C	H1	180.0°	179.7°
C2	C1	C	CL	178.8°	179.7°
C	C1	C2	H2	179.9°	179.7°
C1	C	C14	H8	179.5°	179.7°
CL	C	C1	H1	1.2°	0.0°
CL	C	C14	H8	1.3°	0.0°
H1	C1	C2	H2	0.1°	0.0°
H3	C4	N	H6	176.2°	164.4°
H3	C4	N1	H10	166.9°	165.0°
H5	C13	C14	H8	0.0°	0.1°
H7	C10	C9	H9	0.1°	0.0°

Release date:	2026-06-03
Definition date:	2025-07-29
Last modified:	2026-05-29
Release status:	REL
Processing site:	PDBC
Derived from:	9W0H