A1EVS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	doub	1.38Å	1.37Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
C10	C09	doub	1.39Å	1.38Å	Aromatic
C14	C09	sing	1.39Å	1.35Å	Aromatic
C09	N08	sing	1.40Å	1.46Å
N08	C15	sing	1.40Å	1.44Å
N08	C07	sing	1.40Å	1.42Å
C04	C07	doub	1.39Å	1.39Å	Aromatic
C04	C03	sing	1.38Å	1.38Å	Aromatic
C16	C15	doub	1.39Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.37Å	Aromatic
C15	C21	sing	1.39Å	1.39Å	Aromatic
C07	C06	sing	1.39Å	1.41Å	Aromatic
C17	C18	doub	1.39Å	1.39Å	Aromatic
C21	C20	doub	1.38Å	1.39Å	Aromatic
C03	C02	doub	1.39Å	1.39Å	Aromatic
C18	C20	sing	1.39Å	1.38Å	Aromatic
C18	O19	sing	1.36Å	1.38Å
C06	C05	doub	1.38Å	1.39Å	Aromatic
C02	C05	sing	1.39Å	1.39Å	Aromatic
C02	O01	sing	1.36Å	1.39Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C21	H5	sing	1.08Å	1.08Å
O01	H6	sing	0.97Å	0.95Å
C03	H7	sing	1.08Å	1.08Å
C04	H8	sing	1.08Å	1.08Å
C05	H9	sing	1.08Å	1.08Å
C06	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
O19	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C13	118.4°	120.1°
C12	C11	C10	120.7°	120.1°
C12	C11	H11	119.7°	120.0°
C11	C12	H12	120.8°	119.9°
C12	C13	C14	120.7°	120.1°
C12	C13	H2	119.7°	119.9°
C13	C12	H12	120.8°	120.0°
C11	C10	C09	120.1°	119.9°
C11	C10	H1	119.9°	120.0°
C10	C11	H11	119.7°	119.9°
C13	C14	C09	120.7°	119.9°
C14	C13	H2	119.7°	119.9°
C13	C14	H13	119.6°	120.1°
C10	C09	C14	119.3°	119.9°
C10	C09	N08	118.1°	120.1°
C09	C10	H1	120.0°	120.1°
C14	C09	N08	122.6°	120.0°
C09	C14	H13	119.6°	120.1°
C09	N08	C15	115.5°	120.0°
C09	N08	C07	126.5°	120.0°
C15	N08	C07	117.1°	120.0°
N08	C15	C16	118.6°	120.0°
N08	C15	C21	119.1°	120.0°
N08	C07	C04	119.6°	120.0°
N08	C07	C06	119.4°	120.0°
C07	C04	C03	120.4°	120.0°
C04	C07	C06	121.0°	120.0°
C07	C04	H8	119.8°	120.0°
C04	C03	C02	118.9°	120.0°
C04	C03	H7	120.5°	120.0°
C03	C04	H8	119.8°	120.0°
C15	C16	C17	118.5°	120.0°
C16	C15	C21	122.2°	120.0°
C15	C16	H14	120.7°	120.0°
C16	C17	C18	119.8°	120.0°
C16	C17	H3	120.1°	120.0°
C17	C16	H14	120.7°	120.0°
C15	C21	C20	119.1°	120.0°
C15	C21	H5	120.4°	120.0°
C07	C06	C05	118.3°	120.0°
C07	C06	H10	120.9°	120.0°
C17	C18	C20	121.8°	120.0°
C17	C18	O19	119.4°	120.0°
C18	C17	H3	120.1°	119.9°
C21	C20	C18	118.4°	120.0°
C21	C20	H4	120.8°	120.0°
C20	C21	H5	120.4°	120.0°
C03	C02	C05	121.2°	120.1°
C03	C02	O01	118.0°	120.0°
C02	C03	H7	120.5°	120.0°
C20	C18	O19	118.8°	120.0°
C18	C20	H4	120.8°	120.0°
C18	O19	H15	109.5°	114.0°
C06	C05	C02	120.1°	120.0°
C06	C05	H9	120.0°	120.0°
C05	C06	H10	120.9°	120.0°
C05	C02	O01	120.7°	120.0°
C02	C05	H9	120.0°	120.0°
C02	O01	H6	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C13	H12	180.0°	180.0°
C12	C11	C10	H11	180.0°	180.0°
C11	C12	C13	C14	3.6°	0.2°
C12	C11	C10	C09	1.0°	0.0°
C12	C11	C10	H1	179.0°	179.7°
C11	C12	C13	H2	176.4°	179.8°
C13	C12	C11	C10	2.2°	0.0°
C12	C13	C14	H2	180.0°	179.6°
C12	C13	C14	C09	3.9°	0.5°
C13	C12	C11	H11	177.8°	179.9°
C12	C13	C14	H13	176.2°	180.0°
C11	C10	C09	H1	180.0°	179.8°
C11	C10	C09	C14	1.2°	0.2°
C11	C10	C09	N08	178.1°	179.7°
C10	C11	C12	H12	177.8°	180.0°
C13	C14	C09	C10	2.6°	0.5°
C13	C14	C09	H13	180.0°	179.5°
C13	C14	C09	N08	179.4°	179.5°
C14	C13	C12	H12	176.4°	179.8°
C10	C09	C14	N08	176.8°	180.0°
C10	C09	N08	C15	38.4°	90.7°
C10	C09	N08	C07	152.6°	89.3°
C09	C10	C11	H11	179.0°	180.0°
C10	C09	C14	H13	177.4°	180.0°
C14	C09	N08	C15	138.4°	89.3°
C14	C09	N08	C07	30.5°	90.7°
C14	C09	C10	H1	178.8°	180.0°
C09	C14	C13	H2	176.2°	180.0°
C09	N08	C15	C07	170.0°	180.0°
C09	N08	C07	C04	36.8°	90.5°
C09	N08	C15	C16	60.2°	1.3°
C09	N08	C15	C21	121.4°	179.0°
C09	N08	C07	C06	143.6°	89.2°
N08	C09	C10	H1	1.9°	0.0°
N08	C09	C14	H13	0.6°	0.0°
C15	N08	C07	C04	154.4°	89.5°
N08	C15	C16	C21	178.3°	179.7°
N08	C15	C16	C17	179.9°	179.7°
C15	N08	C07	C06	25.2°	90.8°
N08	C15	C21	C20	179.8°	180.0°
N08	C15	C21	H5	0.2°	0.1°
N08	C15	C16	H14	0.1°	0.3°
N08	C07	C04	C06	179.5°	179.7°
N08	C07	C04	C03	178.0°	180.0°
C07	N08	C15	C16	109.8°	178.7°
C07	N08	C15	C21	68.6°	1.0°
N08	C07	C06	C05	179.8°	179.7°
N08	C07	C04	H8	2.0°	0.0°
N08	C07	C06	H10	0.1°	0.3°
C07	C04	C03	H8	180.0°	180.0°
C07	C04	C03	C02	2.1°	0.1°
C04	C07	C06	C05	0.3°	0.6°
C07	C04	C03	H7	178.0°	179.9°
C04	C07	C06	H10	179.7°	180.0°
C03	C04	C07	C06	1.5°	0.3°
C04	C03	C02	H7	180.0°	179.9°
C04	C03	C02	C05	0.8°	0.1°
C04	C03	C02	O01	179.5°	179.7°
C15	C16	C17	H14	180.0°	180.0°
C15	C16	C17	C18	0.4°	0.0°
C16	C15	C21	C20	1.5°	0.3°
C15	C16	C17	H3	179.7°	179.7°
C16	C15	C21	H5	178.5°	179.7°
C17	C16	C15	C21	1.6°	0.0°
C16	C17	C18	H3	180.0°	179.7°
C16	C17	C18	C20	1.0°	0.3°
C16	C17	C18	O19	179.7°	179.8°
C15	C21	C20	H5	180.0°	179.9°
C15	C21	C20	C18	0.1°	0.6°
C15	C21	C20	H4	179.9°	179.9°
C21	C15	C16	H14	178.5°	180.0°
C07	C06	C05	H10	180.0°	179.4°
C07	C06	C05	C02	1.6°	0.6°
C06	C07	C04	H8	178.5°	179.7°
C07	C06	C05	H9	178.4°	179.5°
C17	C18	C20	C21	1.1°	0.6°
C17	C18	C20	O19	178.7°	180.0°
C17	C18	C20	H4	178.9°	179.9°
C18	C17	C16	H14	179.7°	180.0°
C17	C18	O19	H15	180.0°	90.0°
C21	C20	C18	H4	180.0°	179.4°
C21	C20	C18	O19	179.8°	179.5°
C03	C02	C05	C06	1.0°	0.3°
C03	C02	C05	O01	179.7°	179.7°
C03	C02	O01	H6	180.0°	89.7°
C02	C03	C04	H8	177.9°	180.0°
C03	C02	C05	H9	179.0°	179.7°
C20	C18	C17	H3	179.0°	180.0°
C18	C20	C21	H5	179.9°	179.4°
C20	C18	O19	H15	1.3°	90.0°
O19	C18	C17	H3	0.3°	0.0°
O19	C18	C20	H4	0.2°	0.1°
C06	C05	C02	H9	180.0°	180.0°
C06	C05	C02	O01	178.7°	180.0°
C05	C02	O01	H6	0.3°	90.0°
C05	C02	C03	H7	179.2°	179.9°
C02	C05	C06	H10	178.4°	180.0°
O01	C02	C03	H7	0.5°	0.4°
O01	C02	C05	H9	1.3°	0.0°
H1	C10	C11	H11	1.0°	0.3°
H2	C13	C12	H12	3.6°	0.2°
H2	C13	C14	H13	3.8°	0.4°
H3	C17	C16	H14	0.3°	0.3°
H4	C20	C21	H5	0.1°	0.0°
H7	C03	C04	H8	2.0°	0.1°
H9	C05	C06	H10	1.6°	0.0°
H11	C11	C12	H12	2.2°	0.0°

Release date:	2026-08-19
Definition date:	2025-08-19
Last modified:	2026-08-14
Release status:	REL
Processing site:	PDBC
Derived from:	9WB2