A1D6M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	0.00Å
C02	C11	sing	1.51Å	0.00Å
C02	C03	sing	1.47Å	0.00Å
O09	C08	sing	1.36Å	0.00Å
C11	C12	sing	1.51Å	0.00Å
C03	C08	doub	1.41Å	0.00Å	Aromatic
C03	C04	sing	1.40Å	0.00Å	Aromatic
C08	C07	sing	1.38Å	0.00Å	Aromatic
C04	C05	doub	1.36Å	0.00Å	Aromatic
C12	C17	doub	1.38Å	0.00Å	Aromatic
C12	C13	sing	1.38Å	0.00Å	Aromatic
C07	C06	doub	1.39Å	0.00Å	Aromatic
C17	C16	sing	1.38Å	0.00Å	Aromatic
C05	C06	sing	1.39Å	0.00Å	Aromatic
C06	O10	sing	1.36Å	0.00Å
C13	C14	doub	1.38Å	0.00Å	Aromatic
C16	C15	doub	1.39Å	0.00Å	Aromatic
C14	C15	sing	1.39Å	0.00Å	Aromatic
C15	O18	sing	1.36Å	0.00Å
O18	C19	sing	1.43Å	0.00Å
C13	H1	sing	1.08Å	0.00Å
C17	H2	sing	1.08Å	0.00Å
C04	H3	sing	1.08Å	0.00Å
C05	H4	sing	1.08Å	0.00Å
C07	H5	sing	1.08Å	0.00Å
O09	H6	sing	0.97Å	0.00Å
O10	H7	sing	0.97Å	0.00Å
C11	H8	sing	1.09Å	0.00Å
C11	H9	sing	1.09Å	0.00Å
C14	H10	sing	1.08Å	0.00Å
C16	H11	sing	1.08Å	0.00Å
C19	H12	sing	1.09Å	0.00Å
C19	H13	sing	1.09Å	0.00Å
C19	H14	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C11	90.0°	120.0°
O01	C02	C03	90.0°	120.0°
C11	C02	C03	90.0°	120.0°
C02	C11	C12	90.0°	109.4°
C02	C11	H8	90.0°	109.4°
C02	C11	H9	90.0°	109.5°
C02	C03	C08	90.0°	120.1°
C02	C03	C04	90.0°	120.2°
O09	C08	C03	90.0°	120.2°
O09	C08	C07	90.0°	120.2°
C08	O09	H6	90.0°	114.0°
C11	C12	C17	90.0°	119.9°
C11	C12	C13	90.0°	120.0°
C12	C11	H8	90.0°	109.5°
C12	C11	H9	90.0°	109.5°
C08	C03	C04	90.0°	119.7°
C03	C08	C07	90.0°	119.6°
C03	C04	C05	90.0°	120.1°
C03	C04	H3	90.0°	120.0°
C08	C07	C06	90.0°	119.9°
C08	C07	H5	90.0°	120.0°
C04	C05	C06	90.0°	120.4°
C05	C04	H3	90.0°	120.0°
C04	C05	H4	90.0°	119.8°
C17	C12	C13	90.0°	120.1°
C12	C17	C16	90.0°	120.1°
C12	C17	H2	90.0°	120.0°
C12	C13	C14	90.0°	120.1°
C12	C13	H1	90.0°	119.9°
C07	C06	C05	90.0°	120.3°
C07	C06	O10	90.0°	119.8°
C06	C07	H5	90.0°	120.1°
C17	C16	C15	90.0°	119.9°
C16	C17	H2	90.0°	119.9°
C17	C16	H11	90.0°	120.1°
C05	C06	O10	90.0°	119.8°
C06	C05	H4	90.0°	119.8°
C06	O10	H7	90.0°	114.1°
C13	C14	C15	90.0°	119.9°
C14	C13	H1	90.0°	120.0°
C13	C14	H10	90.0°	120.0°
C16	C15	C14	90.0°	119.9°
C16	C15	O18	90.0°	120.0°
C15	C16	H11	90.0°	120.0°
C14	C15	O18	90.0°	120.1°
C15	C14	H10	90.0°	120.0°
C15	O18	C19	90.0°	117.0°
O18	C19	H12	90.0°	109.4°
O18	C19	H13	90.0°	109.5°
O18	C19	H14	90.0°	109.5°
H8	C11	H9	90.0°	109.5°
H12	C19	H13	90.0°	109.5°
H12	C19	H14	90.0°	109.5°
H13	C19	H14	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C11	C03	90.0°	180.0°
O01	C02	C11	C12	90.0°	0.1°
O01	C02	C03	C08	90.0°	0.0°
O01	C02	C03	C04	90.0°	179.8°
O01	C02	C11	H8	90.0°	120.1°
O01	C02	C11	H9	90.0°	120.0°
C02	C11	C12	H8	90.0°	119.9°
C02	C11	C12	H9	90.0°	120.0°
C11	C02	C03	C08	90.0°	179.9°
C11	C02	C03	C04	90.0°	0.3°
C02	C11	C12	C17	90.0°	90.0°
C02	C11	C12	C13	90.0°	90.0°
C02	C11	H8	H9	90.0°	119.9°
C02	C03	C08	O09	90.0°	0.0°
C03	C02	C11	C12	90.0°	180.0°
C02	C03	C08	C04	90.0°	179.8°
C02	C03	C08	C07	90.0°	179.8°
C02	C03	C04	C05	90.0°	180.0°
C02	C03	C04	H3	90.0°	0.0°
C03	C02	C11	H8	90.0°	60.0°
C03	C02	C11	H9	90.0°	60.0°
O09	C08	C03	C07	90.0°	179.8°
O09	C08	C03	C04	90.0°	179.8°
O09	C08	C07	C06	90.0°	179.8°
O09	C08	C07	H5	90.0°	0.1°
C11	C12	C17	C13	90.0°	180.0°
C11	C12	C17	C16	90.0°	179.6°
C11	C12	C13	C14	90.0°	180.0°
C11	C12	C13	H1	90.0°	0.3°
C11	C12	C17	H2	90.0°	0.3°
C12	C11	H8	H9	90.0°	120.1°
C08	C03	C04	C05	90.0°	0.2°
C03	C08	C07	C06	90.0°	0.4°
C08	C03	C04	H3	90.0°	179.8°
C03	C08	C07	H5	90.0°	179.7°
C03	C08	O09	H6	90.0°	90.0°
C04	C03	C08	C07	90.0°	0.4°
C03	C04	C05	H3	90.0°	180.0°
C03	C04	C05	C06	90.0°	0.0°
C03	C04	C05	H4	90.0°	180.0°
C08	C07	C06	H5	90.0°	179.8°
C08	C07	C06	C05	90.0°	0.2°
C08	C07	C06	O10	90.0°	179.7°
C07	C08	O09	H6	90.0°	89.8°
C04	C05	C06	C07	90.0°	0.0°
C04	C05	C06	H4	90.0°	180.0°
C04	C05	C06	O10	90.0°	180.0°
C12	C17	C16	H2	90.0°	179.3°
C17	C12	C13	C14	90.0°	0.0°
C12	C17	C16	C15	90.0°	0.7°
C17	C12	C13	H1	90.0°	179.7°
C17	C12	C11	H8	90.0°	29.9°
C17	C12	C11	H9	90.0°	150.0°
C12	C17	C16	H11	90.0°	179.3°
C13	C12	C17	C16	90.0°	0.5°
C12	C13	C14	H1	90.0°	179.7°
C12	C13	C14	C15	90.0°	0.2°
C13	C12	C17	H2	90.0°	179.8°
C13	C12	C11	H8	90.0°	150.0°
C13	C12	C11	H9	90.0°	30.0°
C12	C13	C14	H10	90.0°	179.7°
C07	C06	C05	O10	90.0°	180.0°
C07	C06	C05	H4	90.0°	180.0°
C07	C06	O10	H7	90.0°	90.0°
C17	C16	C15	H11	90.0°	180.0°
C17	C16	C15	C14	90.0°	0.5°
C17	C16	C15	O18	90.0°	179.5°
C06	C05	C04	H3	90.0°	180.0°
C05	C06	C07	H5	90.0°	179.9°
C05	C06	O10	H7	90.0°	90.0°
O10	C06	C05	H4	90.0°	0.0°
O10	C06	C07	H5	90.0°	0.1°
C13	C14	C15	C16	90.0°	0.0°
C13	C14	C15	H10	90.0°	180.0°
C13	C14	C15	O18	90.0°	180.0°
C16	C15	C14	O18	90.0°	180.0°
C16	C15	O18	C19	90.0°	0.0°
C15	C16	C17	H2	90.0°	180.0°
C16	C15	C14	H10	90.0°	180.0°
C14	C15	O18	C19	90.0°	180.0°
C15	C14	C13	H1	90.0°	179.9°
C14	C15	C16	H11	90.0°	179.5°
O18	C15	C14	H10	90.0°	0.0°
O18	C15	C16	H11	90.0°	0.5°
C15	O18	C19	H12	90.0°	60.0°
C15	O18	C19	H13	90.0°	59.9°
C15	O18	C19	H14	90.0°	180.0°
O18	C19	H12	H13	90.0°	120.0°
O18	C19	H12	H14	90.0°	120.0°
O18	C19	H13	H14	90.0°	120.1°
H1	C13	C14	H10	90.0°	0.0°
H2	C17	C16	H11	90.0°	0.0°
H3	C04	C05	H4	90.0°	0.0°
H12	C19	H13	H14	90.0°	120.0°

Release date:	2026-02-11
Definition date:	2024-03-04
Last modified:	2026-02-06
Release status:	REL
Processing site:	PDBC