A1EVR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C10	doub	1.22Å	1.22Å
N1	C10	sing	1.35Å	1.33Å
C10	C9	sing	1.40Å	1.40Å
C9	C8	sing	1.51Å	1.51Å
C9	C11	doub	1.31Å	1.30Å
C8	C4	sing	1.51Å	1.51Å
C5	C4	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.31Å	1.30Å
C15	C13	sing	1.53Å	1.51Å
C4	C3	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.51Å	1.53Å
C13	C14	sing	1.53Å	1.50Å
C6	C1	doub	1.38Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C1	C7	sing	1.51Å	1.50Å
F2	C7	sing	1.40Å	1.32Å
C7	F1	sing	1.40Å	1.33Å
C7	F3	sing	1.40Å	1.33Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.08Å	1.08Å
C3	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C10	N1	121.0°	120.1°
O1	C10	C9	118.6°	119.9°
N1	C10	C9	120.3°	120.0°
C10	N1	H1	120.0°	120.1°
C10	N1	H2	120.0°	119.9°
C10	C9	C8	120.8°	120.1°
C10	C9	C11	121.2°	120.0°
C8	C9	C11	118.0°	120.0°
C9	C8	C4	111.0°	109.5°
C9	C8	H5	109.1°	109.5°
C9	C8	H6	109.1°	109.5°
C9	C11	C12	178.2°	180.0°
C8	C4	C5	119.8°	120.0°
C8	C4	C3	121.9°	120.0°
C4	C8	H5	109.1°	109.5°
C4	C8	H6	109.1°	109.4°
C4	C5	C6	121.3°	120.0°
C5	C4	C3	118.3°	120.0°
C4	C5	H3	119.3°	120.0°
C5	C6	C1	119.6°	120.0°
C6	C5	H3	119.4°	120.0°
C5	C6	H4	120.2°	120.0°
C11	C12	C13	115.9°	120.0°
C11	C12	H11	122.0°	120.0°
C15	C13	C12	109.2°	109.4°
C15	C13	C14	110.9°	109.5°
C15	C13	H7	109.3°	109.5°
C13	C15	H8	109.5°	109.4°
C13	C15	H9	109.5°	109.5°
C13	C15	H10	109.5°	109.5°
C4	C3	C2	121.1°	120.0°
C4	C3	H16	119.4°	120.0°
C12	C13	C14	108.8°	109.5°
C12	C13	H7	109.1°	109.4°
C13	C12	H11	122.1°	120.0°
C14	C13	H7	109.4°	109.5°
C13	C14	H12	109.5°	109.4°
C13	C14	H13	109.5°	109.5°
C13	C14	H14	109.5°	109.5°
C6	C1	C2	120.1°	120.0°
C6	C1	C7	119.5°	120.0°
C1	C6	H4	120.2°	120.0°
C3	C2	C1	119.6°	120.0°
C3	C2	H15	120.2°	120.0°
C2	C3	H16	119.4°	120.0°
C2	C1	C7	120.4°	120.0°
C1	C2	H15	120.2°	120.0°
C1	C7	F2	112.6°	109.5°
C1	C7	F1	113.1°	109.5°
C1	C7	F3	113.4°	109.5°
F2	C7	F1	104.6°	109.5°
F2	C7	F3	106.5°	109.4°
F1	C7	F3	106.0°	109.5°
H1	N1	H2	120.0°	120.0°
H5	C8	H6	109.5°	109.4°
H8	C15	H9	109.5°	109.5°
H8	C15	H10	109.5°	109.4°
H9	C15	H10	109.5°	109.5°
H12	C14	H13	109.5°	109.4°
H12	C14	H14	109.5°	109.4°
H13	C14	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C10	N1	C9	177.2°	179.9°
O1	C10	C9	C8	5.4°	0.1°
O1	C10	C9	C11	172.8°	180.0°
O1	C10	N1	H1	0.0°	180.0°
O1	C10	N1	H2	180.0°	0.3°
N1	C10	C9	C8	177.3°	180.0°
N1	C10	C9	C11	4.5°	0.1°
C10	N1	H1	H2	180.0°	179.7°
C10	C9	C8	C11	178.2°	180.0°
C10	C9	C8	C4	159.5°	85.0°
C10	C9	C11	C12	97.8°	96.0°
C9	C10	N1	H1	177.2°	0.1°
C9	C10	N1	H2	2.8°	179.8°
C10	C9	C8	H5	80.3°	154.9°
C10	C9	C8	H6	39.3°	34.9°
C9	C8	C4	H5	120.2°	120.1°
C9	C8	C4	H6	120.2°	119.9°
C9	C8	C4	C5	72.2°	90.4°
C8	C9	C11	C12	80.3°	83.9°
C9	C8	C4	C3	106.9°	90.0°
C9	C8	H5	H6	119.3°	120.0°
C11	C9	C8	C4	18.7°	95.0°
C9	C11	C12	C13	71.0°	6.1°
C11	C9	C8	H5	101.5°	25.0°
C11	C9	C8	H6	138.9°	145.0°
C9	C11	C12	H11	109.0°	174.0°
C8	C4	C5	C3	179.1°	179.7°
C8	C4	C5	C6	179.6°	179.7°
C8	C4	C3	C2	179.8°	179.8°
C8	C4	C5	H3	0.4°	0.3°
C4	C8	H5	H6	119.3°	120.0°
C8	C4	C3	H16	0.2°	0.3°
C4	C5	C6	H3	180.0°	179.9°
C4	C5	C6	C1	0.0°	0.0°
C5	C4	C3	C2	0.7°	0.1°
C4	C5	C6	H4	180.0°	180.0°
C5	C4	C8	H5	167.6°	29.7°
C5	C4	C8	H6	48.1°	149.7°
C5	C4	C3	H16	179.3°	180.0°
C6	C5	C4	C3	0.5°	0.1°
C5	C6	C1	H4	180.0°	180.0°
C5	C6	C1	C2	0.2°	0.0°
C5	C6	C1	C7	179.9°	180.0°
C11	C12	C13	C15	111.5°	120.0°
C11	C12	C13	H11	180.0°	180.0°
C11	C12	C13	C14	127.3°	119.9°
C11	C12	C13	H7	8.0°	0.0°
C15	C13	C12	C14	121.2°	120.0°
C15	C13	C12	H7	119.4°	120.0°
C15	C13	C14	H7	120.7°	120.1°
C13	C15	H8	H9	120.0°	120.0°
C13	C15	H8	H10	120.0°	120.0°
C13	C15	H9	H10	120.0°	120.1°
C15	C13	C12	H11	68.5°	60.0°
C15	C13	C14	H12	180.0°	60.0°
C15	C13	C14	H13	60.0°	60.0°
C15	C13	C14	H14	60.0°	180.0°
C4	C3	C2	H16	180.0°	179.9°
C4	C3	C2	C1	0.5°	0.1°
C3	C4	C5	H3	179.5°	180.0°
C3	C4	C8	H5	13.3°	149.9°
C3	C4	C8	H6	132.9°	30.0°
C4	C3	C2	H15	179.5°	179.9°
C12	C13	C14	H7	119.1°	119.9°
C12	C13	C15	H8	180.0°	180.0°
C12	C13	C15	H9	60.0°	60.1°
C12	C13	C15	H10	60.0°	60.0°
C12	C13	C14	H12	59.8°	60.0°
C12	C13	C14	H13	60.2°	180.0°
C12	C13	C14	H14	179.8°	60.0°
C14	C13	C15	H8	60.1°	60.0°
C14	C13	C15	H9	60.0°	60.0°
C14	C13	C15	H10	179.9°	179.9°
C14	C13	C12	H11	52.7°	60.0°
C13	C14	H12	H13	120.0°	120.0°
C13	C14	H12	H14	120.0°	120.0°
C13	C14	H13	H14	120.0°	120.1°
C6	C1	C2	C3	0.0°	0.1°
C6	C1	C2	C7	179.7°	180.0°
C6	C1	C7	F2	32.8°	150.0°
C6	C1	C7	F1	85.5°	90.0°
C6	C1	C7	F3	153.8°	30.0°
C1	C6	C5	H3	180.0°	179.9°
C6	C1	C2	H15	180.0°	180.0°
C3	C2	C1	H15	180.0°	180.0°
C3	C2	C1	C7	179.6°	179.9°
C2	C1	C7	F2	147.6°	30.0°
C2	C1	C7	F1	94.1°	90.0°
C2	C1	C7	F3	26.6°	150.0°
C2	C1	C6	H4	179.8°	180.0°
C1	C2	C3	H16	179.5°	180.0°
C1	C7	F2	F1	123.2°	120.0°
C1	C7	F2	F3	124.9°	120.0°
C1	C7	F1	F3	124.9°	120.0°
C7	C1	C6	H4	0.1°	0.0°
C7	C1	C2	H15	0.3°	0.0°
F2	C7	F1	F3	112.3°	120.0°
H3	C5	C6	H4	0.0°	0.1°
H7	C13	C15	H8	60.7°	60.0°
H7	C13	C15	H9	179.3°	180.0°
H7	C13	C15	H10	59.3°	59.9°
H7	C13	C12	H11	172.0°	180.0°
H7	C13	C14	H12	59.3°	179.9°
H7	C13	C14	H13	179.3°	60.1°
H7	C13	C14	H14	60.7°	60.0°
H8	C15	H9	H10	120.0°	120.0°
H12	C14	H13	H14	120.0°	120.0°
H15	C2	C3	H16	0.5°	0.0°

Release date:	2026-08-12
Definition date:	2025-08-18
Last modified:	2026-08-07
Release status:	REL
Processing site:	PDBC
Derived from:	9W6Z