I5L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	doub	1.38Å	1.53Å	Aromatic
C12	C13	sing	1.38Å	1.51Å	Aromatic
C18	C17	sing	1.51Å	1.52Å
C11	C10	sing	1.40Å	1.52Å	Aromatic
C13	C09	doub	1.39Å	1.59Å	Aromatic
C17	C16	doub	1.36Å	1.37Å
C17	C20	sing	1.40Å	1.55Å
C16	C15	sing	1.41Å	1.56Å
C10	C14	sing	1.47Å	1.59Å
C10	C08	doub	1.41Å	1.56Å	Aromatic
C09	C08	sing	1.40Å	1.43Å	Aromatic
C09	C05	sing	1.48Å	1.38Å	Aromatic
O21	C20	doub	1.22Å	1.22Å
C15	C14	doub	1.36Å	1.35Å
C08	O07	sing	1.35Å	1.38Å	Aromatic
C06	C05	doub	1.39Å	1.55Å	Aromatic
C06	C01	sing	1.38Å	1.50Å	Aromatic
C05	C04	sing	1.40Å	1.42Å	Aromatic
O07	C04	sing	1.35Å	1.39Å	Aromatic
C04	C03	doub	1.39Å	1.57Å	Aromatic
C01	O19	sing	1.36Å	1.40Å
C01	C02	doub	1.39Å	1.53Å	Aromatic
C02	C03	sing	1.38Å	1.46Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C02	H4	sing	1.08Å	1.08Å
C03	H5	sing	1.08Å	1.08Å
C06	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.09Å	1.10Å
C18	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.09Å	1.10Å
O19	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C13	120.4°	120.4°
C12	C11	C10	119.9°	120.4°
C12	C11	H7	120.1°	119.8°
C11	C12	H8	119.8°	119.8°
C12	C13	C09	118.6°	120.1°
C12	C13	H1	120.7°	120.0°
C13	C12	H8	119.8°	119.8°
C18	C17	C16	119.0°	119.9°
C18	C17	C20	120.6°	120.0°
C17	C18	H11	109.5°	109.4°
C17	C18	H12	109.4°	109.5°
C17	C18	H13	109.5°	109.5°
C11	C10	C14	124.6°	120.1°
C11	C10	C08	119.0°	119.7°
C10	C11	H7	120.0°	119.8°
C13	C09	C08	120.6°	120.4°
C13	C09	C05	133.2°	133.9°
C09	C13	H1	120.7°	119.9°
C16	C17	C20	120.4°	120.0°
C17	C16	C15	121.6°	120.0°
C17	C16	H10	119.2°	120.1°
C17	C20	O21	120.6°	120.0°
C17	C20	H3	119.7°	120.0°
C16	C15	C14	120.1°	120.0°
C16	C15	H2	119.9°	120.0°
C15	C16	H10	119.2°	120.0°
C14	C10	C08	116.4°	120.2°
C10	C14	C15	119.6°	120.0°
C10	C14	H9	120.2°	120.0°
C10	C08	C09	121.5°	119.0°
C10	C08	O07	128.7°	132.4°
C08	C09	C05	106.2°	105.7°
C09	C08	O07	109.8°	108.6°
C09	C05	C06	131.2°	134.0°
C09	C05	C04	108.3°	105.7°
O21	C20	H3	119.7°	120.0°
C14	C15	H2	120.0°	120.0°
C15	C14	H9	120.2°	120.0°
C08	O07	C04	107.3°	111.6°
C05	C06	C01	117.4°	119.7°
C06	C05	C04	120.5°	120.3°
C05	C06	H6	121.3°	120.2°
C06	C01	O19	119.6°	120.0°
C06	C01	C02	121.0°	120.0°
C01	C06	H6	121.3°	120.2°
C05	C04	O07	108.5°	108.4°
C05	C04	C03	122.7°	119.2°
O07	C04	C03	128.8°	132.3°
C04	C03	C02	117.2°	120.2°
C04	C03	H5	121.4°	119.9°
O19	C01	C02	119.4°	120.0°
C01	O19	H14	109.5°	114.0°
C01	C02	C03	121.2°	120.6°
C01	C02	H4	119.4°	119.7°
C03	C02	H4	119.4°	119.7°
C02	C03	H5	121.4°	119.9°
H11	C18	H12	109.5°	109.5°
H11	C18	H13	109.5°	109.5°
H12	C18	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C13	H8	180.0°	179.9°
C12	C11	C10	H7	180.0°	179.9°
C11	C12	C13	C09	0.2°	0.4°
C12	C11	C10	C14	180.0°	179.9°
C12	C11	C10	C08	0.3°	0.2°
C11	C12	C13	H1	179.8°	179.9°
C13	C12	C11	C10	0.1°	0.1°
C12	C13	C09	H1	180.0°	179.6°
C12	C13	C09	C08	0.3°	0.4°
C12	C13	C09	C05	179.9°	179.7°
C13	C12	C11	H7	179.9°	179.9°
C18	C17	C16	C20	179.7°	179.9°
C18	C17	C16	C15	179.3°	179.9°
C18	C17	C20	O21	89.8°	0.1°
C18	C17	C20	H3	90.2°	180.0°
C18	C17	C16	H10	0.7°	0.0°
C17	C18	H11	H12	120.0°	120.0°
C17	C18	H11	H13	120.0°	120.0°
C17	C18	H12	H13	120.0°	120.1°
C11	C10	C14	C08	179.7°	179.7°
C11	C10	C08	C09	0.2°	0.3°
C11	C10	C14	C15	89.1°	40.2°
C11	C10	C08	O07	179.9°	179.8°
C10	C11	C12	H8	179.9°	180.0°
C11	C10	C14	H9	90.9°	139.8°
C13	C09	C08	C10	0.1°	0.1°
C13	C09	C08	C05	179.7°	179.9°
C13	C09	C08	O07	179.6°	179.9°
C13	C09	C05	C06	0.3°	0.0°
C13	C09	C05	C04	179.7°	179.9°
C09	C13	C12	H8	179.8°	179.7°
C17	C16	C15	H10	180.0°	180.0°
C16	C17	C20	O21	90.5°	180.0°
C17	C16	C15	C14	153.0°	174.5°
C17	C16	C15	H2	27.0°	5.4°
C16	C17	C20	H3	89.5°	0.1°
C16	C17	C18	H11	180.0°	90.0°
C16	C17	C18	H12	60.0°	150.0°
C16	C17	C18	H13	60.0°	30.0°
C20	C17	C16	C15	1.0°	0.0°
C17	C20	O21	H3	180.0°	179.9°
C20	C17	C16	H10	179.0°	180.0°
C20	C17	C18	H11	0.3°	90.0°
C20	C17	C18	H12	120.3°	29.9°
C20	C17	C18	H13	119.7°	150.0°
C16	C15	C14	C10	2.2°	7.5°
C16	C15	C14	H2	180.0°	179.9°
C16	C15	C14	H9	177.8°	172.5°
C14	C10	C08	C09	179.9°	180.0°
C10	C14	C15	H9	180.0°	180.0°
C14	C10	C08	O07	0.4°	0.1°
C10	C14	C15	H2	177.8°	172.5°
C14	C10	C11	H7	0.0°	0.0°
C10	C08	C09	O07	179.7°	180.0°
C10	C08	C09	C05	179.8°	180.0°
C08	C10	C14	C15	90.6°	140.1°
C10	C08	O07	C04	179.9°	180.0°
C08	C10	C11	H7	179.7°	179.7°
C08	C10	C14	H9	89.4°	39.9°
C08	C09	C05	C06	179.9°	180.0°
C08	C09	C05	C04	0.0°	0.0°
C09	C08	O07	C04	0.1°	0.0°
C08	C09	C13	H1	179.7°	180.0°
C05	C09	C08	O07	0.1°	0.0°
C09	C05	C06	C04	180.0°	179.9°
C09	C05	C06	C01	179.8°	179.9°
C09	C05	C04	O07	0.1°	0.0°
C09	C05	C04	C03	179.9°	180.0°
C05	C09	C13	H1	0.1°	0.1°
C09	C05	C06	H6	0.2°	0.0°
C14	C15	C16	H10	27.0°	5.5°
C08	O07	C04	C05	0.1°	0.0°
C08	O07	C04	C03	179.8°	180.0°
C05	C06	C01	H6	180.0°	179.9°
C06	C05	C04	O07	179.9°	180.0°
C06	C05	C04	C03	0.2°	0.1°
C05	C06	C01	O19	179.8°	179.9°
C05	C06	C01	C02	0.3°	0.0°
C01	C06	C05	C04	0.2°	0.0°
C06	C01	O19	C02	179.9°	179.9°
C06	C01	C02	C03	0.3°	0.0°
C06	C01	C02	H4	179.7°	180.0°
C06	C01	O19	H14	180.0°	89.9°
C05	C04	O07	C03	180.0°	179.9°
C05	C04	C03	C02	0.1°	0.1°
C05	C04	C03	H5	179.9°	180.0°
C04	C05	C06	H6	179.8°	179.9°
O07	C04	C03	C02	179.9°	179.9°
O07	C04	C03	H5	0.1°	0.1°
C04	C03	C02	C01	0.2°	0.1°
C04	C03	C02	H5	180.0°	179.9°
C04	C03	C02	H4	179.8°	179.9°
O19	C01	C02	C03	179.8°	179.9°
O19	C01	C02	H4	0.2°	0.1°
O19	C01	C06	H6	0.2°	0.1°
C01	C02	C03	H4	180.0°	180.0°
C01	C02	C03	H5	179.8°	180.0°
C02	C01	C06	H6	179.7°	180.0°
C02	C01	O19	H14	0.1°	90.0°
H1	C13	C12	H8	0.2°	0.0°
H2	C15	C14	H9	2.2°	7.6°
H2	C15	C16	H10	153.1°	174.5°
H4	C02	C03	H5	0.2°	0.1°
H7	C11	C12	H8	0.1°	0.0°
H11	C18	H12	H13	120.0°	120.0°

Release date:	2023-12-13
Definition date:	2022-06-10
Last modified:	2023-12-08
Release status:	REL
Processing site:	PDBJ
Derived from:	7Y1P