A1E5J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O23	C22	doub	1.22Å	1.22Å
C22	N8	sing	1.34Å	1.36Å
C22	C21	sing	1.41Å	1.43Å
N24	C21	sing	1.40Å	1.35Å
N8	C11	sing	1.38Å	1.38Å
N27	C26	doub	1.30Å	1.31Å	Aromatic
N27	N25	sing	1.40Å	1.37Å	Aromatic
C26	C6	sing	1.41Å	1.41Å	Aromatic
C21	C20	doub	1.39Å	1.36Å
C19	C10	sing	1.51Å	1.50Å
C11	C10	doub	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.41Å	1.41Å	Aromatic
C10	N9	sing	1.32Å	1.34Å	Aromatic
C20	C12	sing	1.47Å	1.46Å
C20	C7	sing	1.48Å	1.48Å
N25	C5	sing	1.37Å	1.35Å	Aromatic
C6	C7	doub	1.41Å	1.39Å	Aromatic
C6	C5	sing	1.41Å	1.40Å	Aromatic
C12	C13	doub	1.40Å	1.40Å	Aromatic
C7	C2	sing	1.39Å	1.40Å	Aromatic
C5	C4	doub	1.39Å	1.39Å	Aromatic
N9	C14	doub	1.33Å	1.34Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C13	O15	sing	1.36Å	1.36Å
C14	C18	sing	1.51Å	1.51Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
O15	C16	sing	1.43Å	1.44Å
C4	C3	sing	1.38Å	1.38Å	Aromatic
C4	F1	sing	1.35Å	1.35Å
C16	C17	sing	1.53Å	1.51Å
C18	C17	sing	1.53Å	1.52Å
C16	H1	sing	1.09Å	1.10Å
C16	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C18	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.09Å	1.10Å
C19	H7	sing	1.09Å	1.10Å
C19	H8	sing	1.09Å	1.10Å
C19	H9	sing	1.09Å	1.10Å
C26	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.08Å	1.08Å
N24	H13	sing	0.97Å	1.00Å
N24	H14	sing	0.97Å	1.00Å
N25	H15	sing	0.97Å	1.00Å
N8	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O23	C22	N8	122.3°	119.1°
O23	C22	C21	121.8°	119.1°
N8	C22	C21	115.9°	121.8°
C22	N8	C11	125.1°	121.3°
C22	N8	H16	117.4°	119.4°
C22	C21	N24	115.4°	120.1°
C22	C21	C20	122.6°	119.8°
N24	C21	C20	121.9°	120.1°
C21	N24	H13	109.5°	120.0°
C21	N24	H14	109.5°	120.0°
N8	C11	C10	120.7°	121.7°
N8	C11	C12	119.1°	119.9°
C11	N8	H16	117.4°	119.4°
C26	N27	N25	106.2°	109.7°
N27	C26	C6	111.7°	108.7°
N27	C26	H10	124.2°	125.7°
N27	N25	C5	111.2°	108.0°
N27	N25	H15	124.4°	125.9°
C26	C6	C7	136.6°	133.5°
C26	C6	C5	104.1°	107.0°
C6	C26	H10	124.2°	125.6°
C21	C20	C12	119.7°	118.0°
C21	C20	C7	120.1°	121.0°
C19	C10	C11	122.7°	119.8°
C19	C10	N9	116.8°	119.8°
C10	C19	H7	109.5°	109.5°
C10	C19	H8	109.5°	109.5°
C10	C19	H9	109.4°	109.5°
C10	C11	C12	120.2°	118.4°
C11	C10	N9	120.5°	120.5°
C11	C12	C20	117.4°	119.2°
C11	C12	C13	117.2°	118.9°
C10	N9	C14	120.8°	123.0°
C12	C20	C7	120.2°	121.0°
C20	C12	C13	125.3°	121.8°
C20	C7	C6	121.9°	120.3°
C20	C7	C2	118.2°	120.2°
N25	C5	C6	106.9°	106.6°
N25	C5	C4	134.0°	133.6°
C5	N25	H15	124.4°	126.0°
C7	C6	C5	119.3°	119.5°
C6	C7	C2	119.8°	119.5°
C6	C5	C4	119.2°	119.8°
C12	C13	C14	120.0°	118.6°
C12	C13	O15	121.4°	119.1°
C7	C2	C3	120.8°	120.4°
C7	C2	H11	119.6°	119.9°
C5	C4	C3	122.3°	120.1°
C5	C4	F1	118.1°	120.0°
N9	C14	C13	121.2°	120.6°
N9	C14	C18	116.5°	118.5°
C14	C13	O15	118.5°	122.3°
C13	C14	C18	122.2°	121.0°
C13	O15	C16	113.9°	117.9°
C14	C18	C17	113.7°	109.8°
C14	C18	H5	108.4°	109.4°
C14	C18	H6	108.4°	109.4°
C2	C3	C4	118.5°	120.7°
C3	C2	H11	119.6°	119.8°
C2	C3	H12	120.8°	119.7°
O15	C16	C17	109.2°	108.2°
O15	C16	H1	109.5°	109.7°
O15	C16	H2	109.6°	109.7°
C3	C4	F1	119.5°	119.9°
C4	C3	H12	120.7°	119.6°
C16	C17	C18	109.5°	108.3°
C17	C16	H1	109.6°	109.7°
C17	C16	H2	109.5°	109.7°
C16	C17	H3	109.5°	109.7°
C16	C17	H4	109.5°	109.7°
C18	C17	H3	109.5°	109.7°
C18	C17	H4	109.4°	109.7°
C17	C18	H5	108.4°	109.5°
C17	C18	H6	108.4°	109.4°
H1	C16	H2	109.5°	109.7°
H3	C17	H4	109.5°	109.7°
H5	C18	H6	109.5°	109.4°
H7	C19	H8	109.5°	109.5°
H7	C19	H9	109.5°	109.4°
H8	C19	H9	109.5°	109.5°
H13	N24	H14	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O23	C22	N8	C21	178.7°	180.0°
O23	C22	C21	N24	0.3°	0.0°
O23	C22	N8	C11	178.8°	180.0°
O23	C22	C21	C20	178.2°	180.0°
O23	C22	N8	H16	1.2°	0.1°
N8	C22	C21	N24	178.9°	179.9°
C22	N8	C11	H16	180.0°	179.9°
N8	C22	C21	C20	3.1°	0.1°
C22	N8	C11	C10	179.5°	180.0°
C22	N8	C11	C12	2.8°	0.0°
C22	C21	N24	C20	178.0°	180.0°
C21	C22	N8	C11	2.5°	0.0°
C22	C21	C20	C12	3.9°	0.1°
C22	C21	C20	C7	178.1°	180.0°
C22	C21	N24	H13	180.0°	180.0°
C22	C21	N24	H14	60.0°	0.0°
C21	C22	N8	H16	177.5°	179.9°
N24	C21	C20	C12	178.3°	179.9°
N24	C21	C20	C7	0.3°	0.0°
C21	N24	H13	H14	120.0°	180.0°
N8	C11	C10	C19	1.1°	0.4°
N8	C11	C10	C12	177.7°	180.0°
N8	C11	C10	N9	178.3°	180.0°
N8	C11	C12	C20	3.3°	0.0°
N8	C11	C12	C13	179.4°	180.0°
N27	C26	C6	H10	180.0°	179.8°
C26	N27	N25	C5	0.3°	0.4°
N27	C26	C6	C7	179.4°	179.8°
N27	C26	C6	C5	0.3°	0.2°
C26	N27	N25	H15	179.7°	179.5°
N25	N27	C26	C6	0.0°	0.1°
N27	N25	C5	H15	180.0°	179.9°
N27	N25	C5	C6	0.5°	0.5°
N27	N25	C5	C4	179.9°	179.9°
N25	N27	C26	H10	180.0°	179.7°
C26	C6	C7	C20	0.8°	0.0°
C26	C6	C5	N25	0.5°	0.4°
C26	C6	C7	C5	179.0°	180.0°
C26	C6	C7	C2	180.0°	180.0°
C26	C6	C5	C4	179.8°	179.9°
C21	C20	C12	C11	3.9°	0.1°
C21	C20	C12	C7	178.0°	179.9°
C21	C20	C7	C6	94.5°	75.0°
C21	C20	C12	C13	179.0°	180.0°
C21	C20	C7	C2	84.7°	105.0°
C20	C21	N24	H13	2.0°	0.0°
C20	C21	N24	H14	122.0°	180.0°
C19	C10	C11	N9	179.5°	179.7°
C19	C10	C11	C12	178.8°	179.6°
C19	C10	N9	C14	178.5°	179.7°
C10	C19	H7	H8	120.0°	120.0°
C10	C19	H7	H9	120.0°	120.0°
C10	C19	H8	H9	120.0°	120.0°
C10	C11	C12	C20	179.0°	179.9°
C10	C11	C12	C13	1.6°	0.0°
C11	C10	N9	C14	1.0°	0.1°
C11	C10	C19	H7	179.5°	90.3°
C11	C10	C19	H8	60.5°	29.7°
C11	C10	C19	H9	59.5°	149.7°
C10	C11	N8	H16	0.5°	0.1°
C12	C11	C10	N9	0.7°	0.0°
C11	C12	C20	C13	177.1°	180.0°
C11	C12	C20	C7	178.1°	180.0°
C11	C12	C13	C14	3.0°	0.2°
C11	C12	C13	O15	179.2°	179.8°
C12	C11	N8	H16	177.2°	179.9°
C10	N9	C14	C13	2.4°	0.2°
C10	N9	C14	C18	179.5°	179.7°
N9	C10	C19	H7	0.0°	90.0°
N9	C10	C19	H8	120.0°	150.0°
N9	C10	C19	H9	120.0°	30.0°
C12	C20	C7	C6	83.5°	104.9°
C12	C20	C7	C2	97.3°	75.0°
C20	C12	C13	C14	179.9°	179.8°
C20	C12	C13	O15	3.7°	0.3°
C20	C7	C6	C2	179.2°	180.0°
C20	C7	C6	C5	179.9°	180.0°
C7	C20	C12	C13	1.0°	0.0°
C20	C7	C2	C3	179.9°	179.9°
C20	C7	C2	H11	0.1°	0.0°
N25	C5	C6	C7	179.8°	179.6°
N25	C5	C6	C4	179.6°	179.5°
N25	C5	C4	C3	179.5°	179.4°
N25	C5	C4	F1	1.1°	0.6°
C7	C6	C5	C4	0.5°	0.1°
C6	C7	C2	C3	0.9°	0.0°
C7	C6	C26	H10	0.6°	0.0°
C6	C7	C2	H11	179.1°	180.0°
C5	C6	C7	C2	1.0°	0.0°
C6	C5	C4	C3	0.0°	0.0°
C6	C5	C4	F1	178.4°	180.0°
C5	C6	C26	H10	179.7°	180.0°
C6	C5	N25	H15	179.4°	179.4°
C12	C13	C14	N9	3.4°	0.3°
C12	C13	C14	O15	176.3°	179.9°
C12	C13	C14	C18	179.6°	179.7°
C12	C13	O15	C16	144.5°	163.2°
C7	C2	C3	H11	180.0°	180.0°
C7	C2	C3	C4	0.3°	0.1°
C7	C2	C3	H12	179.7°	180.0°
C5	C4	C3	C2	0.2°	0.0°
C5	C4	C3	F1	178.4°	179.9°
C5	C4	C3	H12	179.9°	180.0°
C4	C5	N25	H15	0.1°	0.0°
N9	C14	C13	C18	176.9°	180.0°
N9	C14	C13	O15	179.7°	179.7°
N9	C14	C18	C17	178.1°	162.1°
N9	C14	C18	H5	61.3°	41.9°
N9	C14	C18	H6	57.5°	77.9°
C14	C13	O15	C16	31.8°	16.9°
C13	C14	C18	C17	4.8°	18.0°
C13	C14	C18	H5	115.8°	138.1°
C13	C14	C18	H6	125.4°	102.1°
O15	C13	C14	C18	3.3°	0.4°
C13	O15	C16	C17	64.4°	48.8°
C13	O15	C16	H1	55.6°	70.9°
C13	O15	C16	H2	175.6°	168.5°
C14	C18	C17	C16	26.1°	48.4°
C14	C18	C17	H5	120.6°	120.1°
C14	C18	C17	H6	120.6°	120.0°
C14	C18	C17	H3	146.1°	71.3°
C14	C18	C17	H4	93.9°	168.2°
C14	C18	H5	H6	118.1°	119.8°
C2	C3	C4	H12	180.0°	180.0°
C2	C3	C4	F1	178.5°	179.9°
O15	C16	C17	H1	119.9°	119.7°
O15	C16	C17	H2	120.0°	119.7°
O15	C16	C17	C18	59.5°	64.6°
O15	C16	H1	H2	120.1°	120.6°
O15	C16	C17	H3	179.5°	55.1°
O15	C16	C17	H4	60.5°	175.7°
C4	C3	C2	H11	179.7°	180.0°
F1	C4	C3	H12	1.5°	0.0°
C16	C17	C18	H3	120.0°	119.7°
C16	C17	C18	H4	120.0°	119.7°
C17	C16	H1	H2	120.1°	120.6°
C16	C17	H3	H4	120.0°	120.6°
C16	C17	C18	H5	146.7°	168.6°
C16	C17	C18	H6	94.6°	71.6°
C18	C17	C16	H1	60.4°	55.1°
C18	C17	C16	H2	179.5°	175.7°
C18	C17	H3	H4	120.0°	120.5°
C17	C18	H5	H6	118.1°	119.9°
H1	C16	C17	H3	59.6°	174.8°
H1	C16	C17	H4	179.6°	64.6°
H2	C16	C17	H3	60.5°	64.6°
H2	C16	C17	H4	59.5°	56.0°
H3	C17	C18	H5	93.3°	48.8°
H3	C17	C18	H6	25.4°	168.7°
H4	C17	C18	H5	26.7°	71.7°
H4	C17	C18	H6	145.4°	48.2°
H7	C19	H8	H9	120.0°	120.0°
H11	C2	C3	H12	0.4°	0.0°

Release date:	2026-03-25
Definition date:	2026-02-13
Last modified:	2026-03-20
Release status:	REL
Processing site:	PDBC
Derived from:	23FW