A1L3G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	sing	1.53Å	0.00Å
C16	O2	sing	1.43Å	0.00Å
O2	C15	sing	1.36Å	0.00Å
C20	C19	sing	1.53Å	0.00Å
O3	C19	sing	1.43Å	0.00Å
O3	C18	sing	1.36Å	0.00Å
C15	C18	doub	1.39Å	0.00Å	Aromatic
C15	C14	sing	1.38Å	0.00Å	Aromatic
C18	C21	sing	1.39Å	0.00Å	Aromatic
C14	C13	doub	1.40Å	0.00Å	Aromatic
C21	C22	doub	1.38Å	0.00Å	Aromatic
C13	C22	sing	1.40Å	0.00Å	Aromatic
C13	C12	sing	1.48Å	0.00Å
N2	C12	doub	1.32Å	0.00Å	Aromatic
N2	C11	sing	1.35Å	0.00Å	Aromatic
C12	O1	sing	1.34Å	0.00Å	Aromatic
C9	C8	doub	1.38Å	0.00Å	Aromatic
C9	C10	sing	1.39Å	0.00Å	Aromatic
C8	C7	sing	1.38Å	0.00Å	Aromatic
C11	C10	sing	1.48Å	0.00Å
C11	N1	doub	1.31Å	0.00Å	Aromatic
O1	N1	sing	1.21Å	0.00Å	Aromatic
C10	C5	doub	1.39Å	0.00Å	Aromatic
C7	C6	doub	1.38Å	0.00Å	Aromatic
C5	C6	sing	1.38Å	0.00Å	Aromatic
C5	C4	sing	1.51Å	0.00Å
C6	C2	sing	1.51Å	0.00Å
C4	C3	sing	1.54Å	0.00Å
C2	C3	sing	1.54Å	0.00Å
C2	N	sing	1.47Å	0.00Å
N	C1	sing	1.47Å	0.00Å
C1	C	sing	1.53Å	0.00Å
O	C	sing	1.43Å	0.00Å
N	H1	sing	1.01Å	0.00Å
C	H3	sing	1.09Å	0.00Å
C	H4	sing	1.09Å	0.00Å
O	H5	sing	0.97Å	0.00Å
C1	H6	sing	1.09Å	0.00Å
C1	H7	sing	1.09Å	0.00Å
C14	H8	sing	1.08Å	0.00Å
C16	H9	sing	1.09Å	0.00Å
C16	H10	sing	1.09Å	0.00Å
C17	H11	sing	1.09Å	0.00Å
C17	H12	sing	1.09Å	0.00Å
C17	H13	sing	1.09Å	0.00Å
C19	H14	sing	1.09Å	0.00Å
C19	H15	sing	1.09Å	0.00Å
C2	H16	sing	1.09Å	0.00Å
C20	H17	sing	1.09Å	0.00Å
C20	H18	sing	1.09Å	0.00Å
C20	H19	sing	1.09Å	0.00Å
C21	H20	sing	1.08Å	0.00Å
C22	H21	sing	1.08Å	0.00Å
C3	H22	sing	1.09Å	0.00Å
C3	H23	sing	1.09Å	0.00Å
C4	H24	sing	1.09Å	0.00Å
C4	H25	sing	1.09Å	0.00Å
C7	H26	sing	1.08Å	0.00Å
C8	H27	sing	1.08Å	0.00Å
C9	H28	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C16	O2	90.0°	109.4°
C17	C16	H9	90.0°	109.5°
C17	C16	H10	90.0°	109.5°
C16	C17	H11	90.0°	109.5°
C16	C17	H12	90.0°	109.5°
C16	C17	H13	90.0°	109.5°
C16	O2	C15	90.0°	117.0°
O2	C16	H9	90.0°	109.5°
O2	C16	H10	90.0°	109.5°
O2	C15	C18	90.0°	120.0°
O2	C15	C14	90.0°	120.0°
C20	C19	O3	90.0°	109.5°
C20	C19	H14	90.0°	109.5°
C20	C19	H15	90.0°	109.5°
C19	C20	H17	90.0°	109.5°
C19	C20	H18	90.0°	109.5°
C19	C20	H19	90.0°	109.5°
C19	O3	C18	90.0°	117.0°
O3	C19	H14	90.0°	109.4°
O3	C19	H15	90.0°	109.5°
O3	C18	C15	90.0°	120.0°
O3	C18	C21	90.0°	119.9°
C18	C15	C14	90.0°	120.0°
C15	C18	C21	90.0°	120.1°
C15	C14	C13	90.0°	119.8°
C15	C14	H8	90.0°	120.1°
C18	C21	C22	90.0°	120.1°
C18	C21	H20	90.0°	119.9°
C14	C13	C22	90.0°	119.9°
C14	C13	C12	90.0°	120.1°
C13	C14	H8	90.0°	120.1°
C21	C22	C13	90.0°	120.0°
C22	C21	H20	90.0°	119.9°
C21	C22	H21	90.0°	120.0°
C22	C13	C12	90.0°	120.0°
C13	C22	H21	90.0°	120.1°
C13	C12	N2	90.0°	126.6°
C13	C12	O1	90.0°	126.5°
C12	N2	C11	90.0°	105.5°
N2	C12	O1	90.0°	106.9°
N2	C11	C10	90.0°	126.4°
N2	C11	N1	90.0°	107.3°
C12	O1	N1	90.0°	109.9°
C8	C9	C10	90.0°	119.8°
C9	C8	C7	90.0°	120.0°
C9	C8	H27	90.0°	120.0°
C8	C9	H28	90.0°	120.1°
C9	C10	C11	90.0°	120.0°
C9	C10	C5	90.0°	120.0°
C10	C9	H28	90.0°	120.1°
C8	C7	C6	90.0°	120.5°
C8	C7	H26	90.0°	119.7°
C7	C8	H27	90.0°	119.9°
C10	C11	N1	90.0°	126.3°
C11	C10	C5	90.0°	120.0°
C11	N1	O1	90.0°	110.4°
C10	C5	C6	90.0°	119.8°
C10	C5	C4	90.0°	130.4°
C7	C6	C5	90.0°	119.9°
C7	C6	C2	90.0°	130.4°
C6	C7	H26	90.0°	119.8°
C6	C5	C4	90.0°	109.8°
C5	C6	C2	90.0°	109.7°
C5	C4	C3	90.0°	105.1°
C5	C4	H24	90.0°	110.3°
C5	C4	H25	90.0°	110.4°
C6	C2	C3	90.0°	105.2°
C6	C2	N	90.0°	110.3°
C6	C2	H16	90.0°	110.4°
C4	C3	C2	90.0°	102.4°
C4	C3	H22	90.0°	110.8°
C4	C3	H23	90.0°	110.9°
C3	C4	H24	90.0°	110.3°
C3	C4	H25	90.0°	110.3°
C3	C2	N	90.0°	110.3°
C3	C2	H16	90.0°	110.3°
C2	C3	H22	90.0°	110.9°
C2	C3	H23	90.0°	110.8°
C2	N	C1	90.0°	111.0°
C2	N	H1	90.0°	111.0°
N	C2	H16	90.0°	110.2°
N	C1	C	90.0°	109.5°
C1	N	H1	90.0°	111.0°
N	C1	H6	90.0°	109.5°
N	C1	H7	90.0°	109.5°
C1	C	O	90.0°	109.5°
C1	C	H3	90.0°	109.5°
C1	C	H4	90.0°	109.5°
C	C1	H6	90.0°	109.5°
C	C1	H7	90.0°	109.4°
O	C	H3	90.0°	109.5°
O	C	H4	90.0°	109.4°
C	O	H5	90.0°	114.0°
H3	C	H4	90.0°	109.5°
H6	C1	H7	90.0°	109.4°
H9	C16	H10	90.0°	109.5°
H11	C17	H12	90.0°	109.5°
H11	C17	H13	90.0°	109.5°
H12	C17	H13	90.0°	109.4°
H14	C19	H15	90.0°	109.5°
H17	C20	H18	90.0°	109.5°
H17	C20	H19	90.0°	109.5°
H18	C20	H19	90.0°	109.5°
H22	C3	H23	90.0°	110.7°
H24	C4	H25	90.0°	110.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C16	O2	H9	90.0°	120.0°
C17	C16	O2	H10	90.0°	120.0°
C17	C16	O2	C15	90.0°	180.0°
C17	C16	H9	H10	90.0°	120.0°
C16	C17	H11	H12	90.0°	120.0°
C16	C17	H11	H13	90.0°	120.0°
C16	C17	H12	H13	90.0°	120.0°
C16	O2	C15	C18	90.0°	180.0°
C16	O2	C15	C14	90.0°	0.0°
O2	C16	H9	H10	90.0°	120.0°
O2	C16	C17	H11	90.0°	60.0°
O2	C16	C17	H12	90.0°	60.0°
O2	C16	C17	H13	90.0°	180.0°
O2	C15	C18	O3	90.0°	0.0°
O2	C15	C18	C14	90.0°	179.9°
O2	C15	C18	C21	90.0°	179.9°
O2	C15	C14	C13	90.0°	180.0°
O2	C15	C14	H8	90.0°	0.0°
C15	O2	C16	H9	90.0°	60.0°
C15	O2	C16	H10	90.0°	60.0°
C20	C19	O3	H14	90.0°	120.0°
C20	C19	O3	H15	90.0°	120.0°
C20	C19	O3	C18	90.0°	180.0°
C20	C19	H14	H15	90.0°	120.0°
C19	C20	H17	H18	90.0°	120.0°
C19	C20	H17	H19	90.0°	120.0°
C19	C20	H18	H19	90.0°	120.0°
C19	O3	C18	C15	90.0°	180.0°
C19	O3	C18	C21	90.0°	0.1°
O3	C19	H14	H15	90.0°	120.0°
O3	C19	C20	H17	90.0°	60.0°
O3	C19	C20	H18	90.0°	60.0°
O3	C19	C20	H19	90.0°	180.0°
O3	C18	C15	C21	90.0°	179.9°
O3	C18	C15	C14	90.0°	179.9°
O3	C18	C21	C22	90.0°	180.0°
C18	O3	C19	H14	90.0°	60.0°
C18	O3	C19	H15	90.0°	60.0°
O3	C18	C21	H20	90.0°	0.1°
C18	C15	C14	C13	90.0°	0.0°
C15	C18	C21	C22	90.0°	0.1°
C18	C15	C14	H8	90.0°	180.0°
C15	C18	C21	H20	90.0°	180.0°
C14	C15	C18	C21	90.0°	0.0°
C15	C14	C13	H8	90.0°	180.0°
C15	C14	C13	C22	90.0°	0.0°
C15	C14	C13	C12	90.0°	179.7°
C18	C21	C22	H20	90.0°	179.9°
C18	C21	C22	C13	90.0°	0.1°
C18	C21	C22	H21	90.0°	179.7°
C14	C13	C22	C21	90.0°	0.0°
C14	C13	C22	C12	90.0°	179.7°
C14	C13	C12	N2	90.0°	179.8°
C14	C13	C12	O1	90.0°	0.3°
C14	C13	C22	H21	90.0°	179.7°
C21	C22	C13	H21	90.0°	179.8°
C21	C22	C13	C12	90.0°	179.7°
C22	C13	C12	N2	90.0°	0.1°
C22	C13	C12	O1	90.0°	180.0°
C22	C13	C14	H8	90.0°	180.0°
C13	C22	C21	H20	90.0°	180.0°
C13	C12	N2	O1	90.0°	180.0°
C13	C12	N2	C11	90.0°	179.8°
C13	C12	O1	N1	90.0°	180.0°
C12	C13	C14	H8	90.0°	0.3°
C12	C13	C22	H21	90.0°	0.0°
C12	N2	C11	C10	90.0°	179.9°
C12	N2	C11	N1	90.0°	0.2°
N2	C12	O1	N1	90.0°	0.0°
C11	N2	C12	O1	90.0°	0.1°
N2	C11	C10	C9	90.0°	0.6°
N2	C11	C10	N1	90.0°	179.6°
N2	C11	N1	O1	90.0°	0.3°
N2	C11	C10	C5	90.0°	179.7°
C12	O1	N1	C11	90.0°	0.2°
C8	C9	C10	H28	90.0°	179.5°
C9	C8	C7	H27	90.0°	179.8°
C8	C9	C10	C11	90.0°	179.8°
C8	C9	C10	C5	90.0°	0.5°
C9	C8	C7	C6	90.0°	0.2°
C9	C8	C7	H26	90.0°	179.7°
C10	C9	C8	C7	90.0°	0.5°
C9	C10	C11	C5	90.0°	179.8°
C9	C10	C11	N1	90.0°	179.8°
C9	C10	C5	C6	90.0°	0.2°
C9	C10	C5	C4	90.0°	179.7°
C10	C9	C8	H27	90.0°	179.7°
C8	C7	C6	H26	90.0°	180.0°
C8	C7	C6	C5	90.0°	0.1°
C8	C7	C6	C2	90.0°	180.0°
C7	C8	C9	H28	90.0°	180.0°
C10	C11	N1	O1	90.0°	179.9°
C11	C10	C5	C6	90.0°	179.9°
C11	C10	C5	C4	90.0°	0.0°
C11	C10	C9	H28	90.0°	0.3°
N1	C11	C10	C5	90.0°	0.1°
C10	C5	C6	C7	90.0°	0.1°
C10	C5	C6	C4	90.0°	179.9°
C10	C5	C6	C2	90.0°	180.0°
C10	C5	C4	C3	90.0°	162.8°
C10	C5	C4	H24	90.0°	43.8°
C10	C5	C4	H25	90.0°	78.3°
C5	C10	C9	H28	90.0°	179.9°
C7	C6	C5	C2	90.0°	179.9°
C7	C6	C5	C4	90.0°	180.0°
C7	C6	C2	C3	90.0°	162.8°
C7	C6	C2	N	90.0°	43.9°
C7	C6	C2	H16	90.0°	78.1°
C6	C7	C8	H27	90.0°	180.0°
C6	C5	C4	C3	90.0°	17.1°
C5	C6	C2	C3	90.0°	17.3°
C5	C6	C2	N	90.0°	136.2°
C5	C6	C2	H16	90.0°	101.8°
C6	C5	C4	H24	90.0°	136.0°
C6	C5	C4	H25	90.0°	101.8°
C5	C6	C7	H26	90.0°	180.0°
C4	C5	C6	C2	90.0°	0.1°
C5	C4	C3	H24	90.0°	118.9°
C5	C4	C3	H25	90.0°	119.0°
C5	C4	C3	C2	90.0°	26.3°
C5	C4	C3	H22	90.0°	92.0°
C5	C4	C3	H23	90.0°	144.6°
C5	C4	H24	H25	90.0°	122.2°
C6	C2	C3	C4	90.0°	26.4°
C6	C2	C3	N	90.0°	118.9°
C6	C2	C3	H16	90.0°	119.1°
C6	C2	N	H16	90.0°	122.2°
C6	C2	N	C1	90.0°	89.2°
C6	C2	N	H1	90.0°	146.8°
C6	C2	C3	H22	90.0°	91.9°
C6	C2	C3	H23	90.0°	144.7°
C2	C6	C7	H26	90.0°	0.1°
C4	C3	C2	H22	90.0°	118.3°
C4	C3	C2	H23	90.0°	118.4°
C4	C3	C2	N	90.0°	145.3°
C4	C3	C2	H16	90.0°	92.7°
C4	C3	H22	H23	90.0°	123.6°
C3	C4	H24	H25	90.0°	122.1°
C3	C2	N	H16	90.0°	122.1°
C3	C2	N	C1	90.0°	155.0°
C3	C2	N	H1	90.0°	31.1°
C2	C3	H22	H23	90.0°	123.4°
C2	C3	C4	H24	90.0°	145.2°
C2	C3	C4	H25	90.0°	92.7°
C2	N	C1	H1	90.0°	123.9°
C2	N	C1	C	90.0°	180.0°
C2	N	C1	H6	90.0°	60.0°
C2	N	C1	H7	90.0°	60.0°
N	C2	C3	H22	90.0°	27.0°
N	C2	C3	H23	90.0°	96.4°
N	C1	C	H6	90.0°	120.0°
N	C1	C	H7	90.0°	120.0°
N	C1	C	O	90.0°	65.0°
N	C1	C	H3	90.0°	55.0°
N	C1	C	H4	90.0°	175.0°
N	C1	H6	H7	90.0°	120.0°
C1	N	C2	H16	90.0°	32.9°
C1	C	O	H3	90.0°	120.0°
C1	C	O	H4	90.0°	120.0°
C	C1	N	H1	90.0°	56.0°
C1	C	H3	H4	90.0°	120.0°
C1	C	O	H5	90.0°	180.0°
C	C1	H6	H7	90.0°	119.9°
O	C	H3	H4	90.0°	120.0°
O	C	C1	H6	90.0°	55.0°
O	C	C1	H7	90.0°	175.0°
H1	N	C1	H6	90.0°	176.1°
H1	N	C1	H7	90.0°	63.9°
H1	N	C2	H16	90.0°	91.0°
H3	C	O	H5	90.0°	60.0°
H3	C	C1	H6	90.0°	175.0°
H3	C	C1	H7	90.0°	65.0°
H4	C	O	H5	90.0°	60.0°
H4	C	C1	H6	90.0°	64.9°
H4	C	C1	H7	90.0°	55.0°
H9	C16	C17	H11	90.0°	60.0°
H9	C16	C17	H12	90.0°	180.0°
H9	C16	C17	H13	90.0°	60.0°
H10	C16	C17	H11	90.0°	180.0°
H10	C16	C17	H12	90.0°	60.0°
H10	C16	C17	H13	90.0°	60.0°
H11	C17	H12	H13	90.0°	120.0°
H14	C19	C20	H17	90.0°	60.0°
H14	C19	C20	H18	90.0°	180.0°
H14	C19	C20	H19	90.0°	60.0°
H15	C19	C20	H17	90.0°	NaN°
H15	C19	C20	H18	90.0°	60.0°
H15	C19	C20	H19	90.0°	60.0°
H16	C2	C3	H22	90.0°	149.0°
H16	C2	C3	H23	90.0°	25.7°
H17	C20	H18	H19	90.0°	120.0°
H20	C21	C22	H21	90.0°	0.2°
H22	C3	C4	H24	90.0°	26.9°
H22	C3	C4	H25	90.0°	149.1°
H23	C3	C4	H24	90.0°	96.5°
H23	C3	C4	H25	90.0°	25.6°
H26	C7	C8	H27	90.0°	0.0°
H27	C8	C9	H28	90.0°	0.3°

Release date:	2026-01-28
Definition date:	2024-08-05
Last modified:	2026-01-23
Release status:	REL
Processing site:	PDBJ