A1EBO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C07	doub	1.39Å	1.40Å	Aromatic
C08	C09	sing	1.36Å	1.39Å	Aromatic
C07	C06	sing	1.36Å	1.39Å	Aromatic
C09	C10	doub	1.40Å	1.42Å	Aromatic
C06	C05	doub	1.40Å	1.42Å	Aromatic
C10	C05	sing	1.42Å	1.36Å	Aromatic
C10	C11	sing	1.40Å	1.42Å	Aromatic
C05	C04	sing	1.41Å	1.42Å	Aromatic
C11	N01	doub	1.31Å	1.32Å	Aromatic
C04	C03	doub	1.36Å	1.39Å	Aromatic
N01	C03	sing	1.33Å	1.32Å	Aromatic
N01	C02	sing	1.46Å	1.45Å
O01	C01	doub	1.21Å	1.18Å
C01	C02	sing	1.51Å	1.52Å
C01	C12	sing	1.47Å	1.52Å
C17	C16	doub	1.38Å	1.38Å	Aromatic
C17	C12	sing	1.40Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.40Å	1.38Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.08Å	1.08Å
C04	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
C07	H9	sing	1.08Å	1.08Å
C08	H10	sing	1.08Å	1.08Å
C09	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C08	C09	120.5°	121.1°
C08	C07	C06	120.0°	121.0°
C08	C07	H9	120.0°	119.4°
C07	C08	H10	119.8°	119.5°
C08	C09	C10	119.6°	119.5°
C09	C08	H10	119.8°	119.4°
C08	C09	H11	120.2°	120.2°
C07	C06	C05	119.6°	119.5°
C07	C06	H8	120.2°	120.2°
C06	C07	H9	120.0°	119.5°
C09	C10	C05	120.0°	119.3°
C09	C10	C11	121.0°	122.1°
C10	C09	H11	120.2°	120.3°
C06	C05	C10	120.3°	119.6°
C06	C05	C04	121.5°	122.2°
C05	C06	H8	120.2°	120.3°
C05	C10	C11	119.0°	118.6°
C10	C05	C04	118.1°	118.2°
C10	C11	N01	121.8°	119.9°
C10	C11	H12	119.1°	120.1°
C05	C04	C03	118.9°	118.6°
C05	C04	H7	120.5°	120.7°
C11	N01	C03	120.3°	122.7°
C11	N01	C02	120.1°	118.6°
N01	C11	H12	119.1°	120.0°
C04	C03	N01	121.9°	121.9°
C04	C03	H6	119.0°	119.0°
C03	C04	H7	120.6°	120.7°
C03	N01	C02	119.6°	118.6°
N01	C03	H6	119.1°	119.0°
N01	C02	C01	110.0°	109.5°
N01	C02	H4	109.4°	109.5°
N01	C02	H5	109.3°	109.5°
O01	C01	C02	120.1°	120.0°
O01	C01	C12	120.2°	120.0°
C02	C01	C12	119.7°	120.0°
C01	C02	H4	109.3°	109.4°
C01	C02	H5	109.4°	109.5°
C01	C12	C17	120.2°	120.2°
C01	C12	C13	119.6°	120.2°
C16	C17	C12	119.9°	119.9°
C17	C16	C15	120.0°	120.2°
C16	C17	H3	120.0°	120.1°
C17	C16	H14	120.0°	119.9°
C17	C12	C13	120.2°	119.6°
C12	C17	H3	120.0°	120.0°
C16	C15	C14	120.0°	120.4°
C16	C15	H2	120.0°	119.9°
C15	C16	H14	120.0°	119.9°
C12	C13	C14	119.9°	119.8°
C12	C13	H1	120.0°	120.1°
C15	C14	C13	120.1°	120.1°
C14	C15	H2	120.0°	119.8°
C15	C14	H13	120.0°	120.0°
C14	C13	H1	120.1°	120.1°
C13	C14	H13	120.0°	119.9°
H4	C02	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C08	C09	H10	180.0°	179.7°
C08	C07	C06	H9	180.0°	179.9°
C07	C08	C09	C10	0.1°	0.5°
C08	C07	C06	C05	0.1°	0.0°
C08	C07	C06	H8	179.9°	180.0°
C07	C08	C09	H11	179.9°	179.9°
C09	C08	C07	C06	0.1°	0.3°
C08	C09	C10	H11	180.0°	179.5°
C08	C09	C10	C05	0.1°	0.5°
C08	C09	C10	C11	180.0°	179.8°
C09	C08	C07	H9	179.9°	179.8°
C07	C06	C05	H8	180.0°	179.9°
C07	C06	C05	C10	0.3°	0.0°
C07	C06	C05	C04	179.9°	179.9°
C06	C07	C08	H10	179.9°	180.0°
C09	C10	C05	C06	0.3°	0.2°
C09	C10	C05	C11	179.9°	179.7°
C09	C10	C05	C04	179.9°	179.7°
C09	C10	C11	N01	179.6°	179.7°
C10	C09	C08	H10	179.9°	179.7°
C09	C10	C11	H12	0.4°	0.4°
C06	C05	C10	C04	179.8°	179.9°
C06	C05	C10	C11	179.8°	179.9°
C06	C05	C04	C03	180.0°	179.9°
C06	C05	C04	H7	0.0°	0.1°
C05	C06	C07	H9	179.9°	179.9°
C05	C10	C11	N01	0.3°	0.0°
C10	C05	C04	C03	0.2°	0.0°
C10	C05	C04	H7	179.8°	180.0°
C10	C05	C06	H8	179.7°	180.0°
C05	C10	C09	H11	179.9°	180.0°
C05	C10	C11	H12	179.7°	179.9°
C11	C10	C05	C04	0.0°	0.0°
C10	C11	N01	H12	180.0°	179.9°
C10	C11	N01	C03	0.4°	0.0°
C10	C11	N01	C02	179.9°	180.0°
C11	C10	C09	H11	0.0°	0.3°
C05	C04	C03	H7	180.0°	179.9°
C05	C04	C03	N01	0.1°	0.0°
C05	C04	C03	H6	179.9°	179.9°
C04	C05	C06	H8	0.1°	0.1°
C11	N01	C03	C04	0.1°	0.0°
C11	N01	C03	C02	179.5°	180.0°
C11	N01	C02	C01	114.2°	90.0°
C11	N01	C02	H4	125.7°	30.0°
C11	N01	C02	H5	5.9°	150.0°
C11	N01	C03	H6	179.9°	180.0°
C04	C03	N01	H6	180.0°	180.0°
C04	C03	N01	C02	179.7°	180.0°
C03	N01	C02	C01	66.3°	90.0°
C03	N01	C02	H4	53.8°	150.1°
C03	N01	C02	H5	173.7°	30.0°
N01	C03	C04	H7	179.9°	180.0°
C03	N01	C11	H12	179.6°	179.9°
N01	C02	C01	O01	8.2°	0.0°
N01	C02	C01	H4	120.1°	120.0°
N01	C02	C01	H5	120.1°	120.0°
N01	C02	C01	C12	171.6°	180.0°
N01	C02	H4	H5	119.8°	120.0°
C02	N01	C03	H6	0.3°	0.0°
C02	N01	C11	H12	0.1°	0.1°
O01	C01	C02	C12	179.7°	180.0°
O01	C01	C12	C17	25.5°	0.1°
O01	C01	C12	C13	154.5°	180.0°
O01	C01	C02	H4	111.9°	120.0°
O01	C01	C02	H5	128.2°	120.0°
C02	C01	C12	C17	154.2°	179.9°
C02	C01	C12	C13	25.8°	0.0°
C01	C02	H4	H5	119.8°	120.0°
C01	C12	C17	C16	179.9°	179.5°
C01	C12	C17	C13	179.9°	179.9°
C01	C12	C13	C14	180.0°	180.0°
C01	C12	C13	H1	0.0°	0.3°
C01	C12	C17	H3	0.1°	0.3°
C12	C01	C02	H4	68.4°	60.0°
C12	C01	C02	H5	51.5°	60.0°
C16	C17	C12	H3	180.0°	179.2°
C17	C16	C15	H14	180.0°	179.2°
C16	C17	C12	C13	0.1°	0.6°
C17	C16	C15	C14	0.0°	0.6°
C17	C16	C15	H2	180.0°	179.4°
C12	C17	C16	C15	0.1°	0.8°
C17	C12	C13	C14	0.0°	0.1°
C17	C12	C13	H1	180.0°	179.7°
C12	C17	C16	H14	179.9°	180.0°
C16	C15	C14	H2	180.0°	180.0°
C16	C15	C14	C13	0.1°	0.0°
C15	C16	C17	H3	179.9°	180.0°
C16	C15	C14	H13	179.9°	180.0°
C12	C13	C14	C15	0.1°	0.2°
C12	C13	C14	H1	180.0°	179.7°
C13	C12	C17	H3	179.9°	179.8°
C12	C13	C14	H13	179.9°	179.7°
C15	C14	C13	H13	180.0°	180.0°
C15	C14	C13	H1	179.9°	180.0°
C14	C15	C16	H14	180.0°	179.7°
C13	C14	C15	H2	179.9°	180.0°
H1	C13	C14	H13	0.1°	0.0°
H2	C15	C14	H13	0.1°	0.0°
H2	C15	C16	H14	0.0°	0.2°
H3	C17	C16	H14	0.1°	0.8°
H6	C03	C04	H7	0.2°	0.0°
H8	C06	C07	H9	0.1°	0.0°
H9	C07	C08	H10	0.1°	0.1°
H10	C08	C09	H11	0.1°	0.2°

Release date:	2025-12-24
Definition date:	2024-09-09
Last modified:	2025-12-19
Release status:	REL
Processing site:	PDBC
Derived from:	9JF3