A1EU7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL01	C02	sing	1.74Å	1.78Å
C02	N03	doub	1.32Å	1.33Å	Aromatic
C02	N22	sing	1.32Å	1.33Å	Aromatic
N03	C04	sing	1.33Å	1.35Å	Aromatic
N22	C09	doub	1.33Å	1.32Å	Aromatic
C04	C08	sing	1.46Å	1.45Å	Aromatic
C04	C05	doub	1.40Å	1.38Å	Aromatic
C08	C07	doub	1.34Å	1.40Å	Aromatic
C09	C05	sing	1.40Å	1.40Å	Aromatic
C09	N10	sing	1.39Å	1.43Å
C05	O06	sing	1.35Å	1.36Å	Aromatic
C21	N10	sing	1.47Å	1.46Å
C07	O06	sing	1.34Å	1.33Å	Aromatic
N10	C11	sing	1.40Å	1.44Å
C20	C11	doub	1.39Å	1.40Å	Aromatic
C20	C19	sing	1.37Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C19	C18	doub	1.39Å	1.43Å	Aromatic
C12	C13	doub	1.40Å	1.41Å	Aromatic
C18	C13	sing	1.41Å	1.38Å	Aromatic
C18	N16	sing	1.37Å	1.35Å	Aromatic
C13	C14	sing	1.46Å	1.43Å	Aromatic
N16	C17	sing	1.46Å	1.46Å
N16	N15	sing	1.40Å	1.35Å	Aromatic
C14	N15	doub	1.30Å	1.32Å	Aromatic
C17	H1	sing	1.09Å	1.10Å
C17	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.09Å	1.10Å
C20	H4	sing	1.08Å	1.08Å
C21	H5	sing	1.09Å	1.10Å
C21	H6	sing	1.09Å	1.10Å
C21	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL01	C02	N03	119.1°	118.9°
CL01	C02	N22	117.5°	118.9°
N03	C02	N22	123.4°	122.2°
C02	N03	C04	119.3°	120.4°
C02	N22	C09	120.5°	121.3°
N03	C04	C08	137.4°	135.2°
N03	C04	C05	118.5°	119.3°
N22	C09	C05	118.4°	118.7°
N22	C09	N10	120.3°	120.6°
C08	C04	C05	104.1°	105.5°
C04	C08	C07	107.3°	106.3°
C04	C08	H9	126.4°	126.8°
C04	C05	C09	120.0°	118.0°
C04	C05	O06	110.3°	107.4°
C08	C07	O06	108.2°	110.1°
C08	C07	H8	125.9°	125.0°
C07	C08	H9	126.4°	126.9°
C05	C09	N10	121.3°	120.7°
C09	C05	O06	129.7°	134.5°
C09	N10	C21	118.3°	119.9°
C09	N10	C11	122.1°	120.0°
C05	O06	C07	110.1°	110.8°
C21	N10	C11	118.0°	120.0°
N10	C21	H5	109.5°	109.4°
N10	C21	H6	109.4°	109.4°
N10	C21	H7	109.5°	109.5°
O06	C07	H8	125.9°	124.9°
N10	C11	C20	121.4°	119.8°
N10	C11	C12	118.2°	119.8°
C11	C20	C19	119.3°	120.8°
C20	C11	C12	120.4°	120.3°
C11	C20	H4	120.3°	119.6°
C20	C19	C18	120.0°	120.1°
C19	C20	H4	120.3°	119.6°
C20	C19	H12	120.0°	120.0°
C11	C12	C13	120.6°	119.5°
C11	C12	H10	119.7°	120.3°
C19	C18	C13	120.1°	119.6°
C19	C18	N16	132.3°	133.7°
C18	C19	H12	120.0°	120.0°
C12	C13	C18	119.5°	119.7°
C12	C13	C14	135.0°	133.9°
C13	C12	H10	119.7°	120.3°
C13	C18	N16	107.5°	106.7°
C18	C13	C14	105.5°	106.4°
C18	N16	C17	124.5°	125.5°
C18	N16	N15	110.1°	109.0°
C13	C14	N15	108.0°	107.8°
C13	C14	H11	126.0°	126.1°
C17	N16	N15	125.4°	125.5°
N16	C17	H1	109.5°	109.4°
N16	C17	H2	109.5°	109.5°
N16	C17	H3	109.4°	109.4°
N16	N15	C14	108.8°	110.1°
N15	C14	H11	126.0°	126.1°
H1	C17	H2	109.4°	109.5°
H1	C17	H3	109.5°	109.5°
H2	C17	H3	109.5°	109.5°
H5	C21	H6	109.5°	109.4°
H5	C21	H7	109.5°	109.5°
H6	C21	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL01	C02	N03	N22	179.3°	179.7°
CL01	C02	N03	C04	180.0°	179.7°
CL01	C02	N22	C09	179.4°	179.7°
N03	C02	N22	C09	1.2°	0.0°
C02	N03	C04	C08	179.7°	180.0°
C02	N03	C04	C05	0.5°	0.1°
N22	C02	N03	C04	0.6°	0.0°
C02	N22	C09	C05	0.7°	0.0°
C02	N22	C09	N10	180.0°	180.0°
N03	C04	C08	C05	179.3°	179.9°
N03	C04	C08	C07	179.5°	179.9°
N03	C04	C05	C09	0.9°	0.1°
N03	C04	C05	O06	179.6°	179.9°
N03	C04	C08	H9	0.5°	0.0°
N22	C09	C05	C04	0.4°	0.0°
N22	C09	C05	N10	179.3°	180.0°
N22	C09	C05	O06	179.7°	180.0°
N22	C09	N10	C21	16.7°	174.2°
N22	C09	N10	C11	148.8°	5.8°
C04	C08	C07	H9	180.0°	179.9°
C08	C04	C05	C09	179.6°	180.0°
C08	C04	C05	O06	0.1°	0.0°
C04	C08	C07	O06	0.2°	0.0°
C04	C08	C07	H8	179.8°	180.0°
C05	C04	C08	C07	0.2°	0.0°
C04	C05	C09	O06	179.3°	180.0°
C04	C05	C09	N10	178.9°	180.0°
C04	C05	O06	C07	0.1°	0.0°
C05	C04	C08	H9	179.8°	179.9°
C08	C07	O06	C05	0.1°	0.0°
C08	C07	O06	H8	180.0°	180.0°
C05	C09	N10	C21	162.6°	5.8°
C09	C05	O06	C07	179.4°	180.0°
C05	C09	N10	C11	32.0°	174.2°
N10	C09	C05	O06	0.4°	0.0°
C09	N10	C21	C11	166.1°	180.0°
C09	N10	C11	C20	44.6°	114.6°
C09	N10	C11	C12	137.4°	65.5°
C09	N10	C21	H5	180.0°	90.1°
C09	N10	C21	H6	60.0°	150.1°
C09	N10	C21	H7	60.0°	30.0°
C05	O06	C07	H8	179.9°	180.0°
C21	N10	C11	C20	120.9°	65.4°
C21	N10	C11	C12	57.1°	114.4°
N10	C21	H5	H6	120.0°	119.9°
N10	C21	H5	H7	120.0°	120.1°
N10	C21	H6	H7	120.0°	120.1°
O06	C07	C08	H9	179.9°	179.9°
N10	C11	C20	C12	178.0°	179.8°
N10	C11	C20	C19	178.5°	180.0°
N10	C11	C12	C13	178.9°	179.7°
N10	C11	C20	H4	1.5°	0.2°
C11	N10	C21	H5	13.9°	90.0°
C11	N10	C21	H6	106.1°	29.9°
C11	N10	C21	H7	133.9°	150.0°
N10	C11	C12	H10	1.1°	0.2°
C11	C20	C19	H4	180.0°	179.8°
C11	C20	C19	C18	0.0°	0.2°
C20	C11	C12	C13	0.8°	0.1°
C20	C11	C12	H10	179.1°	179.9°
C11	C20	C19	H12	179.9°	179.9°
C19	C20	C11	C12	0.5°	0.2°
C20	C19	C18	H12	180.0°	179.9°
C20	C19	C18	C13	0.1°	0.1°
C20	C19	C18	N16	180.0°	179.9°
C11	C12	C13	H10	180.0°	179.9°
C11	C12	C13	C18	0.7°	0.4°
C11	C12	C13	C14	179.7°	180.0°
C12	C11	C20	H4	179.5°	180.0°
C19	C18	C13	C12	0.2°	0.4°
C19	C18	C13	N16	179.9°	179.9°
C19	C18	C13	C14	179.9°	179.9°
C19	C18	N16	C17	0.3°	0.1°
C19	C18	N16	N15	179.9°	179.7°
C18	C19	C20	H4	180.0°	180.0°
C12	C13	C18	C14	179.7°	179.7°
C12	C13	C18	N16	179.7°	179.8°
C12	C13	C14	N15	179.9°	180.0°
C12	C13	C14	H11	0.1°	0.0°
C13	C18	N16	C17	179.8°	180.0°
C13	C18	N16	N15	0.2°	0.2°
C18	C13	C14	N15	0.2°	0.3°
C18	C13	C12	H10	179.3°	179.7°
C18	C13	C14	H11	179.8°	179.7°
C13	C18	C19	H12	179.9°	179.8°
N16	C18	C13	C14	0.0°	0.1°
C18	N16	C17	N15	179.5°	179.7°
C18	N16	N15	C14	0.4°	0.4°
C18	N16	C17	H1	179.5°	89.9°
C18	N16	C17	H2	59.5°	150.0°
C18	N16	C17	H3	60.5°	30.0°
N16	C18	C19	H12	0.0°	0.1°
C13	C14	N15	N16	0.4°	0.5°
C13	C14	N15	H11	180.0°	180.0°
C14	C13	C12	H10	0.3°	0.1°
C17	N16	N15	C14	179.9°	179.8°
N16	C17	H1	H2	120.0°	120.0°
N16	C17	H1	H3	120.0°	119.9°
N16	C17	H2	H3	120.0°	120.0°
N15	N16	C17	H1	0.0°	90.3°
N15	N16	C17	H2	120.0°	29.7°
N15	N16	C17	H3	120.0°	149.7°
N16	N15	C14	H11	179.6°	179.5°
H1	C17	H2	H3	120.0°	120.1°
H4	C20	C19	H12	0.1°	0.2°
H5	C21	H6	H7	120.0°	120.0°
H8	C07	C08	H9	0.1°	0.1°

Release date:	2026-07-29
Definition date:	2025-08-06
Last modified:	2026-07-24
Release status:	REL
Processing site:	PDBC
Derived from:	9VZE