A1EOY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C10	doub	1.35Å	1.35Å	Aromatic
C09	N08	sing	1.34Å	1.31Å	Aromatic
C11	C10	sing	1.51Å	1.49Å
C10	N06	sing	1.37Å	1.27Å	Aromatic
N08	C07	doub	1.30Å	1.34Å	Aromatic
N06	C07	sing	1.35Å	1.31Å	Aromatic
N06	C05	sing	1.46Å	1.44Å
C05	C04	sing	1.51Å	1.51Å
N03	C04	sing	1.36Å	1.47Å
N03	C02	sing	1.35Å	1.44Å
C04	C12	doub	1.35Å	1.46Å
O01	C02	doub	1.22Å	1.16Å
C02	C14	sing	1.42Å	1.47Å
C12	C13	sing	1.40Å	1.45Å
C14	C13	doub	1.39Å	1.45Å
C14	C15	sing	1.48Å	1.49Å
C15	C20	doub	1.39Å	1.36Å	Aromatic
C15	C16	sing	1.39Å	1.37Å	Aromatic
C20	C19	sing	1.38Å	1.36Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C19	C18	doub	1.38Å	1.36Å	Aromatic
C17	C18	sing	1.38Å	1.38Å	Aromatic
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
N03	H9	sing	0.97Å	1.00Å
C05	H10	sing	1.09Å	1.10Å
C05	H11	sing	1.09Å	1.10Å
C07	H12	sing	1.08Å	1.08Å
C09	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
C20	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C09	N08	108.9°	108.0°
C09	C10	C11	127.0°	126.6°
C09	C10	N06	108.8°	106.8°
C10	C09	H13	125.6°	126.0°
C09	N08	C07	104.4°	109.3°
N08	C09	H13	125.5°	126.0°
C11	C10	N06	124.2°	126.6°
C10	C11	H1	109.5°	109.5°
C10	C11	H2	109.5°	109.5°
C10	C11	H3	109.5°	109.4°
C10	N06	C07	107.1°	107.2°
C10	N06	C05	125.2°	126.4°
N08	C07	N06	110.9°	108.7°
N08	C07	H12	124.6°	125.7°
C07	N06	C05	127.7°	126.4°
N06	C07	H12	124.6°	125.6°
N06	C05	C04	119.2°	109.5°
N06	C05	H10	107.0°	109.4°
N06	C05	H11	107.0°	109.5°
C05	C04	N03	125.0°	119.5°
C05	C04	C12	116.7°	119.5°
C04	C05	H10	107.0°	109.5°
C04	C05	H11	107.0°	109.5°
C04	N03	C02	121.9°	121.0°
N03	C04	C12	118.3°	121.1°
C04	N03	H9	119.1°	119.4°
N03	C02	O01	120.2°	120.1°
N03	C02	C14	119.2°	119.9°
C02	N03	H9	119.0°	119.6°
C04	C12	C13	120.2°	120.1°
C04	C12	H4	119.9°	119.9°
O01	C02	C14	120.7°	120.1°
C02	C14	C13	119.4°	118.9°
C02	C14	C15	123.2°	120.6°
C12	C13	C14	121.0°	119.0°
C13	C12	H4	119.9°	120.0°
C12	C13	H5	119.5°	120.5°
C13	C14	C15	117.4°	120.5°
C14	C13	H5	119.5°	120.5°
C14	C15	C20	120.8°	120.1°
C14	C15	C16	118.6°	120.2°
C20	C15	C16	120.6°	119.7°
C15	C20	C19	120.8°	119.9°
C15	C20	H15	119.6°	120.0°
C15	C16	C17	118.2°	119.9°
C15	C16	H6	120.9°	120.0°
C20	C19	C18	120.7°	120.1°
C20	C19	H14	119.6°	119.9°
C19	C20	H15	119.6°	120.1°
C16	C17	C18	121.1°	120.2°
C17	C16	H6	120.9°	120.1°
C16	C17	H7	119.5°	120.0°
C19	C18	C17	118.5°	120.3°
C19	C18	H8	120.8°	119.9°
C18	C19	H14	119.7°	120.0°
C18	C17	H7	119.4°	119.9°
C17	C18	H8	120.7°	119.9°
H1	C11	H2	109.4°	109.5°
H1	C11	H3	109.5°	109.5°
H2	C11	H3	109.5°	109.5°
H10	C05	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C09	N08	H13	180.0°	179.5°
C09	C10	C11	N06	179.4°	179.7°
C10	C09	N08	C07	0.1°	0.4°
C09	C10	N06	C07	0.3°	0.3°
C09	C10	N06	C05	177.0°	179.8°
C09	C10	C11	H1	90.3°	95.5°
C09	C10	C11	H2	149.7°	24.5°
C09	C10	C11	H3	29.7°	144.5°
N08	C09	C10	C11	179.6°	179.8°
N08	C09	C10	N06	0.1°	0.4°
C09	N08	C07	N06	0.3°	0.3°
C09	N08	C07	H12	179.7°	179.8°
C11	C10	N06	C07	179.8°	180.0°
C11	C10	N06	C05	2.5°	0.1°
C10	C11	H1	H2	120.0°	120.0°
C10	C11	H1	H3	120.0°	119.9°
C10	C11	H2	H3	120.0°	119.9°
C11	C10	C09	H13	0.4°	0.3°
C10	N06	C07	N08	0.4°	0.0°
C10	N06	C07	C05	177.2°	179.9°
C10	N06	C05	C04	71.1°	85.9°
N06	C10	C11	H1	90.2°	84.8°
N06	C10	C11	H2	29.7°	155.1°
N06	C10	C11	H3	149.7°	35.2°
C10	N06	C05	H10	167.5°	154.1°
C10	N06	C05	H11	50.3°	34.1°
C10	N06	C07	H12	179.6°	179.9°
N06	C10	C09	H13	179.9°	180.0°
N08	C07	N06	H12	180.0°	180.0°
N08	C07	N06	C05	176.8°	179.9°
C07	N08	C09	H13	179.9°	180.0°
C07	N06	C05	C04	112.1°	94.0°
C07	N06	C05	H10	9.3°	26.0°
C07	N06	C05	H11	126.5°	146.0°
N06	C05	C04	H10	121.4°	120.0°
N06	C05	C04	H11	121.4°	120.0°
N06	C05	C04	N03	120.0°	81.3°
N06	C05	C04	C12	62.1°	98.2°
N06	C05	H10	H11	115.6°	120.0°
C05	N06	C07	H12	3.1°	0.0°
C05	C04	N03	C12	177.8°	179.4°
C05	C04	N03	C02	177.4°	180.0°
C05	C04	C12	C13	179.5°	180.0°
C05	C04	C12	H4	0.5°	0.4°
C05	C04	N03	H9	2.7°	0.6°
C04	C05	H10	H11	115.6°	120.0°
C04	N03	C02	H9	180.0°	179.5°
C04	N03	C02	O01	177.8°	179.7°
C04	N03	C02	C14	1.9°	0.3°
N03	C04	C12	C13	1.5°	0.5°
N03	C04	C12	H4	178.5°	179.8°
N03	C04	C05	H10	118.6°	38.7°
N03	C04	C05	H11	1.3°	158.7°
C02	N03	C04	C12	0.5°	0.5°
N03	C02	O01	C14	179.7°	180.0°
N03	C02	C14	C13	1.4°	0.0°
N03	C02	C14	C15	179.5°	180.0°
C04	C12	C13	H4	180.0°	179.7°
C04	C12	C13	C14	2.1°	0.3°
C04	C12	C13	H5	177.9°	179.8°
C12	C04	N03	H9	179.5°	180.0°
C12	C04	C05	H10	59.3°	141.9°
C12	C04	C05	H11	176.5°	21.9°
O01	C02	C14	C13	178.3°	180.0°
O01	C02	C14	C15	0.7°	0.0°
O01	C02	N03	H9	2.2°	0.3°
C02	C14	C13	C12	0.6°	0.0°
C02	C14	C13	C15	179.1°	180.0°
C02	C14	C15	C20	47.2°	65.0°
C02	C14	C15	C16	131.8°	115.3°
C02	C14	C13	H5	179.4°	180.0°
C14	C02	N03	H9	178.1°	179.7°
C12	C13	C14	H5	180.0°	180.0°
C12	C13	C14	C15	178.5°	180.0°
C13	C14	C15	C20	133.7°	115.0°
C13	C14	C15	C16	47.3°	64.7°
C14	C13	C12	H4	177.9°	180.0°
C14	C15	C20	C16	178.9°	179.7°
C14	C15	C20	C19	179.6°	179.7°
C14	C15	C16	C17	179.6°	180.0°
C15	C14	C13	H5	1.5°	0.1°
C14	C15	C16	H6	0.4°	0.0°
C14	C15	C20	H15	0.4°	0.0°
C15	C20	C19	H15	180.0°	179.7°
C20	C15	C16	C17	0.7°	0.3°
C15	C20	C19	C18	0.3°	0.6°
C20	C15	C16	H6	179.4°	179.8°
C15	C20	C19	H14	179.7°	179.7°
C16	C15	C20	C19	0.6°	0.6°
C15	C16	C17	H6	180.0°	179.9°
C15	C16	C17	C18	0.4°	0.0°
C15	C16	C17	H7	179.6°	180.0°
C16	C15	C20	H15	179.4°	179.7°
C20	C19	C18	H14	180.0°	179.7°
C20	C19	C18	C17	0.0°	0.4°
C20	C19	C18	H8	180.0°	179.7°
C16	C17	C18	C19	0.1°	0.1°
C16	C17	C18	H7	180.0°	180.0°
C16	C17	C18	H8	179.9°	180.0°
C19	C18	C17	H8	180.0°	179.9°
C19	C18	C17	H7	179.9°	179.9°
C18	C19	C20	H15	179.7°	179.7°
C18	C17	C16	H6	179.6°	180.0°
C17	C18	C19	H14	179.9°	179.9°
H1	C11	H2	H3	120.0°	120.0°
H4	C12	C13	H5	2.1°	0.1°
H6	C16	C17	H7	0.4°	0.0°
H7	C17	C18	H8	0.1°	0.0°
H8	C18	C19	H14	0.1°	0.0°
H14	C19	C20	H15	0.3°	0.0°

Release date:	2026-04-08
Definition date:	2025-04-08
Last modified:	2026-04-03
Release status:	REL
Processing site:	PDBC
Derived from:	9UD7