A1L8X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C16	sing	1.43Å	1.43Å
O3	C13	sing	1.36Å	1.39Å
OAA	C14	sing	1.36Å	1.37Å
C13	C14	doub	1.39Å	1.43Å	Aromatic
C13	C12	sing	1.39Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.43Å	Aromatic
C12	C11	doub	1.38Å	1.40Å	Aromatic
C15	C10	doub	1.40Å	1.42Å	Aromatic
C11	C10	sing	1.40Å	1.41Å	Aromatic
C10	C1	sing	1.47Å	1.55Å
C1	O1	sing	1.34Å	1.41Å
C1	C2	doub	1.36Å	1.37Å
C17	O2	sing	1.43Å	1.46Å
O1	CAB	sing	1.35Å	1.39Å
O2	C2	sing	1.36Å	1.39Å
C2	C7	sing	1.42Å	1.51Å
CAB	CAA	doub	1.39Å	1.45Å	Aromatic
CAB	CAC	sing	1.41Å	1.40Å	Aromatic
CAA	C6	sing	1.39Å	1.41Å	Aromatic
C7	CAC	sing	1.47Å	1.49Å
C7	O5	doub	1.22Å	1.22Å
CAC	C4	doub	1.40Å	1.43Å	Aromatic
C6	O6	sing	1.36Å	1.38Å
C6	C5	doub	1.39Å	1.41Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	O4	sing	1.36Å	1.36Å
C5	H2	sing	1.08Å	1.08Å
C15	H5	sing	1.08Å	1.08Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C16	H8	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C16	H9	sing	1.09Å	1.10Å
CAA	H1	sing	1.08Å	1.08Å
O4	H14	sing	0.97Å	0.95Å
O6	H7	sing	0.97Å	0.95Å
OAA	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	O3	C13	123.6°	117.0°
O3	C16	H8	109.5°	109.5°
O3	C16	H10	109.4°	109.4°
O3	C16	H9	109.4°	109.4°
O3	C13	C14	121.7°	119.9°
O3	C13	C12	121.5°	119.9°
OAA	C14	C13	113.1°	120.0°
OAA	C14	C15	125.9°	119.9°
C14	OAA	H6	109.5°	114.0°
C14	C13	C12	116.8°	120.2°
C13	C14	C15	121.0°	120.0°
C13	C12	C11	121.3°	120.1°
C13	C12	H4	119.3°	119.9°
C14	C15	C10	122.3°	119.8°
C14	C15	H5	118.8°	120.1°
C12	C11	C10	123.9°	120.0°
C12	C11	H3	118.0°	119.9°
C11	C12	H4	119.3°	119.9°
C15	C10	C11	114.6°	119.9°
C15	C10	C1	124.7°	120.1°
C10	C15	H5	118.8°	120.1°
C11	C10	C1	120.6°	120.0°
C10	C11	H3	118.0°	120.1°
C10	C1	O1	113.8°	118.8°
C10	C1	C2	128.1°	118.8°
O1	C1	C2	118.0°	122.4°
C1	O1	CAB	126.5°	122.3°
C1	C2	O2	122.4°	120.3°
C1	C2	C7	118.9°	119.5°
C17	O2	C2	117.7°	117.0°
O2	C17	H11	109.5°	109.5°
O2	C17	H12	109.5°	109.5°
O2	C17	H13	109.5°	109.4°
O1	CAB	CAA	120.7°	120.7°
O1	CAB	CAC	119.4°	119.9°
O2	C2	C7	118.8°	120.3°
C2	C7	CAC	120.0°	117.4°
C2	C7	O5	118.9°	121.3°
CAA	CAB	CAC	120.0°	119.4°
CAB	CAA	C6	120.6°	120.0°
CAB	CAA	H1	119.7°	120.0°
CAB	CAC	C7	117.3°	118.6°
CAB	CAC	C4	117.1°	120.2°
CAA	C6	O6	120.1°	119.7°
CAA	C6	C5	120.0°	120.6°
C6	CAA	H1	119.7°	120.0°
CAC	C7	O5	121.1°	121.4°
C7	CAC	C4	125.6°	121.2°
CAC	C4	C5	124.3°	119.5°
CAC	C4	O4	114.6°	120.2°
O6	C6	C5	119.9°	119.7°
C6	O6	H7	109.5°	114.0°
C6	C5	C4	118.1°	120.2°
C6	C5	H2	121.0°	119.9°
C5	C4	O4	121.1°	120.3°
C4	C5	H2	121.0°	119.9°
C4	O4	H14	109.5°	114.0°
H11	C17	H12	109.5°	109.5°
H11	C17	H13	109.5°	109.4°
H12	C17	H13	109.4°	109.5°
H8	C16	H10	109.5°	109.5°
H8	C16	H9	109.5°	109.5°
H10	C16	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	O3	C13	C14	127.7°	180.0°
C16	O3	C13	C12	53.7°	0.3°
O3	C16	H8	H10	120.0°	120.0°
O3	C16	H8	H9	120.0°	120.0°
O3	C16	H10	H9	120.0°	119.9°
O3	C13	C14	OAA	0.9°	0.3°
O3	C13	C14	C12	178.6°	179.8°
O3	C13	C14	C15	179.6°	180.0°
O3	C13	C12	C11	179.7°	180.0°
O3	C13	C12	H4	0.3°	0.2°
C13	O3	C16	H8	180.0°	60.0°
C13	O3	C16	H10	60.0°	60.0°
C13	O3	C16	H9	60.0°	180.0°
OAA	C14	C13	C15	179.5°	179.7°
OAA	C14	C13	C12	179.5°	179.9°
OAA	C14	C15	C10	179.1°	179.7°
OAA	C14	C15	H5	1.0°	0.3°
C14	C13	C12	C11	1.1°	0.2°
C13	C14	C15	C10	1.5°	0.0°
C13	C14	C15	H5	178.5°	180.0°
C14	C13	C12	H4	179.0°	180.0°
C13	C14	OAA	H6	180.0°	89.9°
C12	C13	C14	C15	1.0°	0.2°
C13	C12	C11	H4	180.0°	179.8°
C13	C12	C11	C10	1.7°	0.0°
C13	C12	C11	H3	178.3°	180.0°
C14	C15	C10	H5	180.0°	180.0°
C14	C15	C10	C11	1.9°	0.2°
C14	C15	C10	C1	178.7°	180.0°
C15	C14	OAA	H6	0.6°	90.4°
C12	C11	C10	C15	2.0°	0.2°
C12	C11	C10	H3	180.0°	180.0°
C12	C11	C10	C1	179.0°	180.0°
C15	C10	C11	C1	177.0°	179.8°
C15	C10	C1	O1	152.4°	132.5°
C15	C10	C1	C2	31.3°	47.5°
C15	C10	C11	H3	178.0°	179.7°
C11	C10	C1	O1	31.0°	47.3°
C11	C10	C1	C2	145.3°	132.7°
C11	C10	C15	H5	178.0°	179.7°
C10	C11	C12	H4	178.3°	179.8°
C10	C1	O1	C2	176.7°	180.0°
C10	C1	O1	CAB	177.9°	180.0°
C10	C1	C2	O2	3.9°	0.0°
C10	C1	C2	C7	177.6°	179.7°
C1	C10	C15	H5	1.2°	0.0°
C1	C10	C11	H3	1.0°	0.1°
O1	C1	C2	O2	179.9°	180.0°
O1	C1	C2	C7	1.4°	0.3°
C1	O1	CAB	CAA	179.3°	180.0°
C1	O1	CAB	CAC	0.4°	0.3°
C1	C2	O2	C17	127.9°	114.0°
C2	C1	O1	CAB	1.2°	0.0°
C1	C2	O2	C7	178.5°	179.7°
C1	C2	C7	CAC	1.0°	0.2°
C1	C2	C7	O5	179.4°	179.8°
C17	O2	C2	C7	50.6°	66.2°
O2	C17	H11	H12	120.0°	120.0°
O2	C17	H11	H13	120.0°	119.9°
O2	C17	H12	H13	120.0°	120.0°
O1	CAB	CAA	CAC	179.8°	179.7°
O1	CAB	CAA	C6	179.9°	180.0°
O1	CAB	CAC	C7	0.0°	0.3°
O1	CAB	CAC	C4	180.0°	179.7°
O1	CAB	CAA	H1	0.1°	0.0°
O2	C2	C7	CAC	179.6°	180.0°
O2	C2	C7	O5	0.8°	0.0°
C2	O2	C17	H11	180.0°	175.1°
C2	O2	C17	H12	60.0°	55.1°
C2	O2	C17	H13	60.0°	64.9°
C2	C7	CAC	CAB	0.2°	0.0°
C2	C7	CAC	O5	179.6°	180.0°
C2	C7	CAC	C4	179.8°	179.4°
CAB	CAA	C6	H1	180.0°	179.9°
CAA	CAB	CAC	C7	179.8°	180.0°
CAA	CAB	CAC	C4	0.2°	0.6°
CAB	CAA	C6	O6	179.9°	180.0°
CAB	CAA	C6	C5	0.4°	0.0°
CAC	CAB	CAA	C6	0.4°	0.3°
CAB	CAC	C7	C4	180.0°	179.4°
CAB	CAC	C7	O5	179.8°	180.0°
CAB	CAC	C4	C5	0.0°	0.6°
CAB	CAC	C4	O4	179.9°	179.7°
CAC	CAB	CAA	H1	179.6°	179.8°
CAA	C6	O6	C5	179.5°	179.9°
CAA	C6	C5	C4	0.2°	0.0°
CAA	C6	C5	H2	179.8°	180.0°
CAA	C6	O6	H7	180.0°	90.1°
C7	CAC	C4	C5	180.0°	180.0°
C7	CAC	C4	O4	0.1°	0.3°
O5	C7	CAC	C4	0.2°	0.6°
CAC	C4	C5	C6	0.0°	0.3°
CAC	C4	C5	O4	179.9°	179.7°
CAC	C4	C5	H2	180.0°	179.7°
CAC	C4	O4	H14	0.0°	90.3°
O6	C6	C5	C4	179.7°	180.0°
O6	C6	C5	H2	0.3°	0.0°
O6	C6	CAA	H1	0.1°	0.0°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	O4	179.9°	180.0°
C5	C6	CAA	H1	179.7°	179.9°
C5	C6	O6	H7	0.5°	90.0°
C5	C4	O4	H14	179.9°	90.0°
O4	C4	C5	H2	0.1°	0.0°
H11	C17	H12	H13	120.0°	120.0°
H3	C11	C12	H4	1.7°	0.2°
H8	C16	H10	H9	120.0°	120.0°

Release date:	2025-04-16
Definition date:	2025-04-02
Last modified:	2025-04-11
Release status:	REL
Processing site:	PDBJ
Derived from:	9U6A