A1EOA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C21	doub	1.33Å	1.39Å	Aromatic
C20	S19	sing	1.76Å	1.72Å	Aromatic
C21	C17	sing	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.51Å	1.53Å
C10	N09	sing	1.46Å	1.45Å
C12	C11	doub	1.33Å	1.39Å	Aromatic
C12	S13	sing	1.76Å	1.73Å	Aromatic
C11	C15	sing	1.38Å	1.39Å	Aromatic
N06	C07	doub	1.31Å	1.32Å	Aromatic
N06	N05	sing	1.40Å	1.36Å	Aromatic
N09	C16	sing	1.47Å	1.45Å
N09	C07	sing	1.40Å	1.45Å
C17	C16	sing	1.51Å	1.52Å
C17	C18	doub	1.33Å	1.38Å	Aromatic
S19	C18	sing	1.76Å	1.72Å	Aromatic
C07	C08	sing	1.40Å	1.38Å	Aromatic
S13	C14	sing	1.76Å	1.72Å	Aromatic
N05	C04	sing	1.37Å	1.32Å	Aromatic
C15	C14	doub	1.33Å	1.38Å	Aromatic
C08	C04	doub	1.38Å	1.38Å	Aromatic
C04	C02	sing	1.47Å	1.53Å
C02	O01	doub	1.22Å	1.26Å
C02	O03	sing	1.35Å	1.26Å
C08	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.08Å	1.08Å
C21	H11	sing	1.08Å	1.08Å
N05	H12	sing	0.97Å	1.00Å
O03	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C20	S19	105.5°	109.6°
C20	C21	C17	116.1°	114.9°
C21	C20	H10	127.2°	125.2°
C20	C21	H11	122.0°	122.5°
C20	S19	C18	97.1°	91.0°
S19	C20	H10	127.2°	125.2°
C21	C17	C16	123.1°	122.5°
C21	C17	C18	115.2°	114.9°
C17	C21	H11	122.0°	122.6°
C11	C10	N09	109.9°	109.5°
C10	C11	C12	122.1°	122.5°
C10	C11	C15	122.0°	122.5°
C11	C10	H2	109.4°	109.4°
C11	C10	H3	109.4°	109.5°
C10	N09	C16	119.7°	120.0°
C10	N09	C07	119.7°	120.0°
N09	C10	H2	109.3°	109.5°
N09	C10	H3	109.4°	109.5°
C11	C12	S13	106.0°	109.6°
C12	C11	C15	115.9°	114.9°
C11	C12	H4	127.0°	125.2°
C12	S13	C14	96.6°	91.0°
S13	C12	H4	127.0°	125.2°
C11	C15	C14	115.0°	114.9°
C11	C15	H6	122.5°	122.6°
C07	N06	N05	109.0°	108.7°
N06	C07	N09	126.2°	125.7°
N06	C07	C08	107.8°	108.7°
N06	N05	C04	108.7°	107.9°
N06	N05	H12	125.6°	126.1°
C16	N09	C07	120.6°	120.0°
N09	C16	C17	112.8°	109.5°
N09	C16	H7	108.6°	109.4°
N09	C16	H8	108.6°	109.4°
N09	C07	C08	126.0°	125.7°
C16	C17	C18	121.7°	122.6°
C17	C16	H7	108.6°	109.5°
C17	C16	H8	108.6°	109.5°
C17	C18	S19	106.1°	109.6°
C17	C18	H9	126.9°	125.2°
S19	C18	H9	127.0°	125.2°
C07	C08	C04	106.5°	107.6°
C07	C08	H1	126.8°	126.2°
S13	C14	C15	106.5°	109.6°
S13	C14	H5	126.7°	125.2°
N05	C04	C08	108.0°	107.1°
N05	C04	C02	126.0°	126.4°
C04	N05	H12	125.6°	126.0°
C15	C14	H5	126.7°	125.2°
C14	C15	H6	122.5°	122.5°
C08	C04	C02	126.0°	126.5°
C04	C08	H1	126.7°	126.2°
C04	C02	O01	120.0°	120.0°
C04	C02	O03	119.8°	120.0°
O01	C02	O03	120.1°	120.0°
C02	O03	H13	109.5°	117.0°
H2	C10	H3	109.5°	109.4°
H7	C16	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C20	S19	H10	180.0°	179.9°
C20	C21	C17	H11	180.0°	179.9°
C20	C21	C17	C16	179.7°	180.0°
C20	C21	C17	C18	0.6°	0.3°
C21	C20	S19	C18	0.0°	0.0°
S19	C20	C21	C17	0.3°	0.1°
C20	S19	C18	C17	0.3°	0.1°
C20	S19	C18	H9	179.7°	179.9°
S19	C20	C21	H11	179.7°	180.0°
C21	C17	C16	N09	58.7°	89.2°
C21	C17	C16	C18	179.0°	179.7°
C21	C17	C18	S19	0.5°	0.2°
C21	C17	C16	H7	179.2°	30.8°
C21	C17	C16	H8	61.8°	150.9°
C21	C17	C18	H9	179.5°	179.8°
C17	C21	C20	H10	179.7°	180.0°
C11	C10	N09	H2	120.0°	120.0°
C11	C10	N09	H3	120.1°	120.0°
C10	C11	C12	C15	179.9°	179.6°
C10	C11	C12	S13	180.0°	180.0°
C11	C10	N09	C16	86.7°	88.6°
C11	C10	N09	C07	92.1°	91.4°
C10	C11	C15	C14	180.0°	180.0°
C11	C10	H2	H3	119.9°	119.9°
C10	C11	C12	H4	0.0°	0.2°
C10	C11	C15	H6	0.0°	0.1°
N09	C10	C11	C12	176.0°	93.5°
N09	C10	C11	C15	4.1°	86.1°
C10	N09	C07	N06	38.0°	174.8°
C10	N09	C16	C07	178.8°	180.0°
C10	N09	C16	C17	128.9°	88.8°
C10	N09	C07	C08	141.4°	5.0°
N09	C10	H2	H3	119.8°	120.0°
C10	N09	C16	H7	110.6°	151.2°
C10	N09	C16	H8	8.4°	31.2°
C11	C12	S13	H4	180.0°	179.9°
C11	C12	S13	C14	0.0°	0.2°
C12	C11	C15	C14	0.1°	0.3°
C12	C11	C10	H2	56.0°	26.5°
C12	C11	C10	H3	63.9°	146.4°
C12	C11	C15	H6	179.9°	179.7°
S13	C12	C11	C15	0.1°	0.3°
C12	S13	C14	C15	0.0°	0.0°
C12	S13	C14	H5	179.9°	179.8°
C11	C15	C14	S13	0.1°	0.2°
C11	C15	C14	H6	180.0°	180.0°
C15	C11	C10	H2	124.1°	153.8°
C15	C11	C10	H3	116.0°	34.0°
C15	C11	C12	H4	179.9°	179.8°
C11	C15	C14	H5	179.9°	180.0°
N06	C07	N09	C16	143.2°	5.2°
N06	C07	N09	C08	179.4°	179.9°
C07	N06	N05	C04	0.2°	0.1°
N06	C07	C08	C04	0.2°	0.1°
N06	C07	C08	H1	179.8°	179.8°
C07	N06	N05	H12	179.9°	179.8°
N05	N06	C07	N09	179.7°	179.9°
N05	N06	C07	C08	0.2°	0.0°
N06	N05	C04	H12	180.0°	179.9°
N06	N05	C04	C08	0.0°	0.2°
N06	N05	C04	C02	180.0°	179.9°
N09	C16	C17	H7	120.5°	120.0°
N09	C16	C17	H8	120.5°	119.9°
N09	C16	C17	C18	122.3°	91.1°
C16	N09	C07	C08	37.4°	175.0°
C16	N09	C10	H2	33.3°	151.4°
C16	N09	C10	H3	153.2°	31.5°
N09	C16	H7	H8	118.5°	120.0°
C07	N09	C16	C17	52.3°	91.2°
N09	C07	C08	C04	179.7°	180.0°
N09	C07	C08	H1	0.3°	0.0°
C07	N09	C10	H2	147.9°	28.6°
C07	N09	C10	H3	28.0°	148.5°
C07	N09	C16	H7	68.2°	28.8°
C07	N09	C16	H8	172.8°	148.8°
C16	C17	C18	S19	179.6°	180.0°
C17	C16	H7	H8	118.5°	120.0°
C16	C17	C18	H9	0.4°	0.1°
C16	C17	C21	H11	0.3°	0.2°
C17	C18	S19	H9	180.0°	180.0°
C18	C17	C16	H7	1.8°	148.9°
C18	C17	C16	H8	117.2°	28.8°
C18	C17	C21	H11	179.4°	179.9°
C18	S19	C20	H10	180.0°	179.9°
C07	C08	C04	N05	0.1°	0.2°
C07	C08	C04	H1	180.0°	180.0°
C07	C08	C04	C02	179.8°	179.9°
S13	C14	C15	H5	180.0°	179.8°
C14	S13	C12	H4	179.9°	179.9°
S13	C14	C15	H6	179.9°	179.9°
N05	C04	C08	C02	180.0°	179.7°
N05	C04	C02	O01	17.5°	179.7°
N05	C04	C02	O03	162.6°	0.6°
N05	C04	C08	H1	179.9°	179.8°
C08	C04	C02	O01	162.5°	0.1°
C08	C04	C02	O03	17.4°	179.7°
C08	C04	N05	H12	180.0°	179.7°
C04	C02	O01	O03	179.9°	179.7°
C02	C04	C08	H1	0.2°	0.1°
C02	C04	N05	H12	0.0°	0.0°
C04	C02	O03	H13	179.9°	179.7°
O01	C02	O03	H13	0.0°	0.0°
H5	C14	C15	H6	0.1°	0.1°
H10	C20	C21	H11	0.3°	0.1°

Release date:	2025-10-29
Definition date:	2025-03-27
Last modified:	2025-10-24
Release status:	REL
Processing site:	PDBC
Derived from:	9JKS