A1EBS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C15	sing	1.53Å	1.51Å
C10	C11	sing	1.53Å	1.51Å
C10	N1	sing	1.46Å	1.46Å
C11	C12	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.50Å
C13	F16	sing	1.40Å	1.38Å
C13	C14	sing	1.53Å	1.50Å
C13	F17	sing	1.40Å	1.38Å
C14	C15	sing	1.53Å	1.52Å
C2	C3	sing	1.48Å	1.48Å
C2	N1	sing	1.35Å	1.34Å
C2	O4	doub	1.22Å	1.24Å
C3	C5	doub	1.34Å	1.33Å
C5	C6	sing	1.48Å	1.47Å
C6	O7	doub	1.21Å	1.21Å
C6	O8	sing	1.35Å	1.34Å
C9	O8	sing	1.45Å	1.44Å
C10	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.08Å	1.08Å
C5	H17	sing	1.08Å	1.08Å
C9	H6	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
N1	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C10	C11	110.6°	109.5°
C15	C10	N1	112.7°	109.5°
C10	C15	C14	109.4°	109.5°
C15	C10	H7	106.9°	109.4°
C10	C15	H14	109.5°	109.5°
C10	C15	H15	109.5°	109.5°
C11	C10	N1	111.8°	109.5°
C10	C11	C12	109.8°	109.5°
C11	C10	H7	106.9°	109.5°
C10	C11	H8	109.4°	109.5°
C10	C11	H9	109.4°	109.4°
C10	N1	C2	125.0°	120.0°
N1	C10	H7	107.6°	109.5°
C10	N1	H1	117.5°	120.0°
C11	C12	C13	109.2°	109.5°
C12	C11	H8	109.4°	109.5°
C12	C11	H9	109.4°	109.5°
C11	C12	H10	109.6°	109.5°
C11	C12	H11	109.6°	109.5°
C12	C13	F16	108.9°	109.5°
C12	C13	C14	115.2°	109.5°
C12	C13	F17	109.1°	109.5°
C13	C12	H10	109.6°	109.5°
C13	C12	H11	109.5°	109.4°
F16	C13	C14	109.1°	109.4°
F16	C13	F17	104.7°	109.5°
C14	C13	F17	109.1°	109.5°
C13	C14	C15	109.7°	109.5°
C13	C14	H12	109.4°	109.4°
C13	C14	H13	109.4°	109.4°
C15	C14	H12	109.4°	109.5°
C15	C14	H13	109.4°	109.5°
C14	C15	H14	109.5°	109.5°
C14	C15	H15	109.5°	109.5°
C3	C2	N1	112.9°	120.0°
C3	C2	O4	123.3°	120.0°
C2	C3	C5	129.5°	120.0°
C2	C3	H16	115.2°	120.0°
N1	C2	O4	123.7°	119.9°
C2	N1	H1	117.5°	120.0°
C3	C5	C6	133.2°	120.1°
C5	C3	H16	115.2°	120.1°
C3	C5	H17	113.4°	120.0°
C5	C6	O7	124.9°	120.0°
C5	C6	O8	112.3°	120.0°
C6	C5	H17	113.4°	120.0°
O7	C6	O8	122.8°	120.0°
C6	O8	C9	116.1°	116.9°
O8	C9	H6	109.5°	109.5°
O8	C9	H5	109.4°	109.4°
O8	C9	H4	109.5°	109.5°
H8	C11	H9	109.4°	109.5°
H10	C12	H11	109.5°	109.4°
H12	C14	H13	109.5°	109.5°
H14	C15	H15	109.5°	109.5°
H6	C9	H5	109.5°	109.4°
H6	C9	H4	109.5°	109.5°
H5	C9	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C10	C11	N1	126.5°	120.0°
C15	C10	C11	H7	116.0°	120.0°
C15	C10	N1	H7	117.5°	119.9°
C15	C10	C11	C12	60.9°	60.0°
C10	C15	C14	C13	55.5°	60.0°
C10	C15	C14	H14	120.0°	120.0°
C10	C15	C14	H15	120.0°	120.0°
C15	C10	N1	C2	63.7°	155.0°
C15	C10	C11	H8	59.1°	60.0°
C15	C10	C11	H9	179.0°	180.0°
C10	C15	C14	H12	175.5°	180.0°
C10	C15	C14	H13	64.6°	60.0°
C10	C15	H14	H15	120.1°	120.0°
C15	C10	N1	H1	116.3°	25.0°
C11	C10	N1	H7	117.1°	120.1°
C10	C11	C12	H8	120.1°	120.0°
C10	C11	C12	H9	120.1°	120.0°
C10	C11	C12	C13	55.7°	60.0°
C11	C10	C15	C14	60.6°	60.0°
C11	C10	N1	C2	61.7°	85.0°
C10	C11	H8	H9	119.8°	120.0°
C10	C11	C12	H10	175.7°	180.0°
C10	C11	C12	H11	64.3°	60.0°
C11	C10	C15	H14	179.4°	179.9°
C11	C10	C15	H15	59.4°	60.0°
C11	C10	N1	H1	118.3°	95.0°
N1	C10	C11	C12	172.5°	180.0°
N1	C10	C15	C14	173.4°	180.0°
C10	N1	C2	C3	175.8°	180.0°
C10	N1	C2	H1	180.0°	180.0°
C10	N1	C2	O4	5.6°	0.0°
N1	C10	C11	H8	67.4°	60.0°
N1	C10	C11	H9	52.5°	60.0°
N1	C10	C15	H14	53.4°	60.0°
N1	C10	C15	H15	66.7°	60.0°
C11	C12	C13	H10	120.0°	120.0°
C11	C12	C13	H11	120.0°	120.0°
C11	C12	C13	F16	177.3°	180.0°
C11	C12	C13	C14	54.3°	60.0°
C11	C12	C13	F17	68.9°	60.0°
C12	C11	C10	H7	55.0°	60.0°
C12	C11	H8	H9	119.9°	120.0°
C11	C12	H10	H11	120.1°	120.0°
C12	C13	F16	C14	126.6°	120.0°
C12	C13	F16	F17	116.6°	120.0°
C12	C13	C14	F17	123.2°	120.0°
C12	C13	C14	C15	54.4°	60.0°
C13	C12	C11	H8	64.4°	60.0°
C13	C12	C11	H9	175.7°	180.0°
C13	C12	H10	H11	120.1°	120.0°
C12	C13	C14	H12	174.4°	180.0°
C12	C13	C14	H13	65.6°	60.0°
F16	C13	C14	F17	113.9°	120.0°
F16	C13	C14	C15	177.3°	180.0°
F16	C13	C12	H10	62.7°	60.0°
F16	C13	C12	H11	57.3°	60.0°
F16	C13	C14	H12	62.6°	60.0°
F16	C13	C14	H13	57.3°	60.0°
C13	C14	C15	H12	120.0°	120.0°
C13	C14	C15	H13	120.0°	120.0°
C14	C13	C12	H10	174.3°	180.0°
C14	C13	C12	H11	65.7°	60.0°
C13	C14	H12	H13	119.9°	120.0°
C13	C14	C15	H14	175.5°	180.0°
C13	C14	C15	H15	64.5°	60.0°
F17	C13	C14	C15	68.8°	60.0°
F17	C13	C12	H10	51.1°	60.0°
F17	C13	C12	H11	171.1°	180.0°
F17	C13	C14	H12	51.3°	60.0°
F17	C13	C14	H13	171.2°	180.0°
C14	C15	C10	H7	55.4°	60.0°
C15	C14	H12	H13	119.9°	120.0°
C14	C15	H14	H15	120.0°	120.0°
C3	C2	N1	O4	178.6°	180.0°
C2	C3	C5	H16	180.0°	180.0°
C2	C3	C5	C6	0.9°	30.6°
C2	C3	C5	H17	179.1°	149.4°
C3	C2	N1	H1	4.2°	0.0°
N1	C2	C3	C5	1.3°	174.0°
C2	N1	C10	H7	178.8°	35.1°
N1	C2	C3	H16	178.7°	6.0°
O4	C2	C3	C5	177.3°	6.0°
O4	C2	C3	H16	2.7°	174.1°
O4	C2	N1	H1	174.4°	180.0°
C3	C5	C6	H17	180.0°	180.0°
C3	C5	C6	O7	178.8°	8.4°
C3	C5	C6	O8	1.2°	171.6°
C5	C6	O7	O8	179.9°	180.0°
C5	C6	O8	C9	179.8°	180.0°
C6	C5	C3	H16	179.1°	149.3°
O7	C6	O8	C9	0.1°	0.0°
O7	C6	C5	H17	1.2°	171.6°
O8	C6	C5	H17	178.8°	8.4°
C6	O8	C9	H6	180.0°	60.1°
C6	O8	C9	H5	60.0°	180.0°
C6	O8	C9	H4	60.0°	60.0°
O8	C9	H6	H5	120.0°	119.9°
O8	C9	H6	H4	120.0°	120.1°
O8	C9	H5	H4	120.0°	120.0°
H7	C10	C11	H8	175.1°	180.0°
H7	C10	C11	H9	65.0°	60.0°
H7	C10	C15	H14	64.6°	60.0°
H7	C10	C15	H15	175.4°	180.0°
H7	C10	N1	H1	1.2°	145.0°
H8	C11	C12	H10	55.6°	60.0°
H8	C11	C12	H11	175.7°	180.0°
H9	C11	C12	H10	64.3°	60.0°
H9	C11	C12	H11	55.8°	60.0°
H12	C14	C15	H14	64.5°	60.0°
H12	C14	C15	H15	55.5°	60.0°
H13	C14	C15	H14	55.4°	60.0°
H13	C14	C15	H15	175.5°	180.0°
H16	C3	C5	H17	0.9°	30.7°
H6	C9	H5	H4	120.0°	120.1°

Release date:	2026-03-11
Definition date:	2024-09-09
Last modified:	2026-03-06
Release status:	REL
Processing site:	PDBC
Derived from:	9JFH