A1EY2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C13	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C14	C09	doub	1.39Å	1.38Å	Aromatic
C10	C09	sing	1.39Å	1.39Å	Aromatic
C09	C06	sing	1.48Å	1.39Å
C07	C06	doub	1.39Å	1.39Å	Aromatic
C07	C08	sing	1.38Å	1.39Å	Aromatic
C06	C05	sing	1.39Å	1.39Å	Aromatic
C05	C04	doub	1.38Å	1.39Å	Aromatic
C08	C03	doub	1.38Å	1.39Å	Aromatic
C04	C03	sing	1.38Å	1.38Å	Aromatic
C03	C02	sing	1.51Å	1.53Å
N01	C02	sing	1.47Å	1.45Å
C02	C15	sing	1.51Å	1.53Å
C16	C15	doub	1.33Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C15	S19	sing	1.76Å	1.72Å	Aromatic
C17	C18	doub	1.33Å	1.38Å	Aromatic
S19	C18	sing	1.76Å	1.73Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C02	H4	sing	1.09Å	1.10Å
C04	H5	sing	1.08Å	1.08Å
C05	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.08Å	1.08Å
C08	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
N01	H14	sing	1.01Å	1.00Å
N01	H15	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	C11	119.9°	120.3°
C12	C13	C14	120.7°	120.1°
C12	C13	H2	119.6°	119.9°
C13	C12	H10	120.1°	119.8°
C12	C11	C10	119.4°	120.1°
C12	C11	H9	120.3°	119.9°
C11	C12	H10	120.0°	119.9°
C13	C14	C09	119.3°	119.9°
C14	C13	H2	119.6°	119.9°
C13	C14	H11	120.3°	120.0°
C11	C10	C09	120.7°	119.9°
C11	C10	H1	119.7°	120.1°
C10	C11	H9	120.3°	119.9°
C14	C09	C10	120.0°	119.8°
C14	C09	C06	121.6°	120.1°
C09	C14	H11	120.4°	120.1°
C10	C09	C06	118.4°	120.1°
C09	C10	H1	119.7°	120.1°
C09	C06	C07	120.4°	120.2°
C09	C06	C05	119.1°	120.1°
C06	C07	C08	119.7°	119.9°
C07	C06	C05	120.5°	119.7°
C06	C07	H7	120.2°	120.0°
C07	C08	C03	120.0°	120.1°
C08	C07	H7	120.1°	120.1°
C07	C08	H8	120.0°	120.0°
C06	C05	C04	119.7°	119.9°
C06	C05	H6	120.2°	120.0°
C05	C04	C03	120.4°	120.1°
C05	C04	H5	119.8°	119.9°
C04	C05	H6	120.2°	120.1°
C08	C03	C04	119.8°	120.2°
C08	C03	C02	121.0°	119.8°
C03	C08	H8	120.0°	119.9°
C04	C03	C02	119.2°	119.9°
C03	C04	H5	119.8°	119.9°
C03	C02	N01	108.9°	109.5°
C03	C02	C15	112.5°	109.4°
C03	C02	H4	108.2°	109.4°
N01	C02	C15	109.7°	109.5°
N01	C02	H4	109.2°	109.5°
C02	N01	H14	109.5°	111.0°
C02	N01	H15	109.5°	111.0°
C02	C15	C16	127.7°	125.2°
C02	C15	S19	126.7°	125.2°
C15	C02	H4	108.2°	109.5°
C15	C16	C17	116.2°	114.9°
C16	C15	S19	105.6°	109.6°
C15	C16	H12	121.9°	122.5°
C16	C17	C18	115.3°	115.0°
C16	C17	H3	122.4°	122.5°
C17	C16	H12	121.9°	122.6°
C15	S19	C18	97.0°	91.0°
C17	C18	S19	106.0°	109.5°
C18	C17	H3	122.4°	122.5°
C17	C18	H13	127.0°	125.2°
S19	C18	H13	127.0°	125.2°
H14	N01	H15	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C11	H10	180.0°	179.8°
C12	C13	C14	H2	180.0°	179.5°
C13	C12	C11	C10	0.2°	0.1°
C12	C13	C14	C09	0.3°	0.5°
C13	C12	C11	H9	179.8°	180.0°
C12	C13	C14	H11	179.7°	179.9°
C11	C12	C13	C14	0.1°	0.2°
C12	C11	C10	H9	180.0°	179.9°
C12	C11	C10	C09	0.5°	0.1°
C12	C11	C10	H1	179.5°	179.7°
C11	C12	C13	H2	179.8°	179.7°
C13	C14	C09	H11	180.0°	179.4°
C13	C14	C09	C10	0.6°	0.5°
C13	C14	C09	C06	179.3°	179.4°
C14	C13	C12	H10	179.9°	180.0°
C11	C10	C09	C14	0.7°	0.2°
C11	C10	C09	H1	180.0°	179.8°
C11	C10	C09	C06	179.5°	179.7°
C10	C11	C12	H10	179.8°	179.7°
C14	C09	C10	C06	178.8°	179.9°
C14	C09	C06	C07	53.9°	180.0°
C14	C09	C06	C05	127.5°	0.1°
C14	C09	C10	H1	179.3°	180.0°
C09	C14	C13	H2	179.7°	180.0°
C10	C09	C06	C07	124.9°	0.1°
C10	C09	C06	C05	53.7°	180.0°
C09	C10	C11	H9	179.5°	180.0°
C10	C09	C14	H11	179.4°	179.9°
C09	C06	C07	C05	178.6°	179.9°
C09	C06	C07	C08	178.8°	179.8°
C09	C06	C05	C04	178.8°	179.9°
C06	C09	C10	H1	0.5°	0.1°
C09	C06	C05	H6	1.2°	0.0°
C09	C06	C07	H7	1.1°	0.0°
C06	C09	C14	H11	0.6°	0.0°
C06	C07	C08	H7	180.0°	179.9°
C07	C06	C05	C04	0.1°	0.0°
C06	C07	C08	C03	0.0°	0.5°
C07	C06	C05	H6	179.9°	180.0°
C06	C07	C08	H8	179.9°	180.0°
C08	C07	C06	C05	0.3°	0.2°
C07	C08	C03	H8	180.0°	179.6°
C07	C08	C03	C04	0.4°	0.5°
C07	C08	C03	C02	179.6°	179.8°
C06	C05	C04	H6	180.0°	180.0°
C06	C05	C04	C03	0.3°	0.0°
C06	C05	C04	H5	179.7°	180.0°
C05	C06	C07	H7	179.7°	179.9°
C05	C04	C03	C08	0.6°	0.2°
C05	C04	C03	H5	180.0°	180.0°
C05	C04	C03	C02	179.7°	180.0°
C08	C03	C04	C02	179.2°	179.8°
C08	C03	C02	N01	36.9°	40.3°
C08	C03	C02	C15	85.0°	79.7°
C08	C03	C02	H4	155.5°	160.3°
C08	C03	C04	H5	179.4°	179.8°
C03	C08	C07	H7	180.0°	179.7°
C04	C03	C02	N01	142.3°	140.0°
C04	C03	C02	C15	95.8°	100.0°
C04	C03	C02	H4	23.6°	20.0°
C03	C04	C05	H6	179.7°	180.0°
C04	C03	C08	H8	179.5°	180.0°
C03	C02	N01	C15	123.5°	120.0°
C03	C02	N01	H4	118.0°	120.0°
C03	C02	C15	H4	119.4°	119.9°
C03	C02	C15	C16	7.6°	100.2°
C03	C02	C15	S19	172.2°	80.0°
C02	C03	C04	H5	0.3°	0.0°
C02	C03	C08	H8	0.4°	0.2°
C03	C02	N01	H14	180.0°	60.0°
C03	C02	N01	H15	60.0°	176.0°
N01	C02	C15	H4	119.1°	120.1°
N01	C02	C15	C16	113.8°	139.8°
N01	C02	C15	S19	66.4°	40.0°
C02	N01	H14	H15	120.0°	124.0°
C02	C15	C16	S19	179.9°	179.8°
C02	C15	C16	C17	180.0°	179.7°
C02	C15	S19	C18	180.0°	179.9°
C02	C15	C16	H12	0.0°	0.2°
C15	C02	N01	H14	56.5°	60.0°
C15	C02	N01	H15	176.5°	64.0°
C15	C16	C17	H12	180.0°	179.9°
C15	C16	C17	C18	0.1°	0.4°
C16	C15	S19	C18	0.1°	0.2°
C15	C16	C17	H3	179.9°	179.8°
C16	C15	C02	H4	127.1°	19.7°
C17	C16	C15	S19	0.1°	0.1°
C16	C17	C18	H3	180.0°	179.4°
C16	C17	C18	S19	0.0°	0.5°
C16	C17	C18	H13	180.0°	179.5°
C15	S19	C18	C17	0.1°	0.4°
S19	C15	C02	H4	52.8°	160.0°
S19	C15	C16	H12	179.9°	180.0°
C15	S19	C18	H13	180.0°	179.6°
C17	C18	S19	H13	180.0°	180.0°
C18	C17	C16	H12	179.9°	179.7°
S19	C18	C17	H3	180.0°	179.9°
H1	C10	C11	H9	0.5°	0.2°
H2	C13	C12	H10	0.1°	0.5°
H2	C13	C14	H11	0.4°	0.6°
H3	C17	C16	H12	0.1°	0.3°
H3	C17	C18	H13	0.0°	0.1°
H4	C02	N01	H14	62.0°	180.0°
H4	C02	N01	H15	58.0°	56.1°
H5	C04	C05	H6	0.3°	0.0°
H7	C07	C08	H8	0.0°	0.1°
H9	C11	C12	H10	0.2°	0.2°

Release date:	2025-10-29
Definition date:	2025-10-16
Last modified:	2025-10-24
Release status:	REL
Processing site:	PDBC
Derived from:	9X59