A1LXQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	O4	sing	1.45Å	1.43Å
O4	C14	sing	1.35Å	1.35Å
C14	O3	doub	1.21Å	1.23Å
C14	C6	sing	1.48Å	1.39Å
C13	C12	doub	1.35Å	1.56Å
C13	C10	sing	1.41Å	1.43Å
C12	N1	sing	1.36Å	1.47Å
O1	C10	sing	1.34Å	1.35Å	Aromatic
O1	C7	sing	1.35Å	1.30Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C5	C4	sing	1.39Å	1.40Å	Aromatic
C6	C1	sing	1.39Å	1.38Å	Aromatic
C10	C9	doub	1.40Å	1.36Å	Aromatic
C7	C4	sing	1.48Å	1.34Å
C7	C8	doub	1.36Å	1.33Å	Aromatic
C4	C3	doub	1.39Å	1.40Å	Aromatic
N1	C11	sing	1.35Å	1.38Å
C1	C2	doub	1.39Å	1.38Å	Aromatic
C9	C11	sing	1.41Å	1.34Å
C9	C8	sing	1.46Å	1.34Å	Aromatic
C11	O2	doub	1.22Å	1.24Å
C3	C2	sing	1.40Å	1.39Å	Aromatic
C2	C16	sing	1.48Å	1.39Å
O6	C16	sing	1.35Å	1.36Å
O6	C17	sing	1.45Å	1.43Å
C16	O5	doub	1.22Å	1.23Å
C1	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.08Å	1.08Å
C5	H12	sing	1.08Å	1.08Å
C8	H13	sing	1.08Å	1.08Å
N1	H4	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	O4	C14	105.6°	117.0°
O4	C15	H5	109.5°	109.5°
O4	C15	H6	109.5°	109.5°
O4	C15	H7	109.5°	109.5°
O4	C14	O3	123.5°	120.0°
O4	C14	C6	116.5°	120.0°
O3	C14	C6	120.0°	120.0°
C14	C6	C5	123.4°	120.0°
C14	C6	C1	116.9°	120.0°
C12	C13	C10	108.8°	119.8°
C13	C12	N1	119.0°	121.6°
C13	C12	H2	120.5°	119.2°
C12	C13	H3	125.6°	120.1°
C13	C10	O1	126.5°	133.8°
C13	C10	C9	127.1°	118.5°
C10	C13	H3	125.6°	120.0°
C12	N1	C11	120.6°	121.1°
N1	C12	H2	120.5°	119.2°
C12	N1	H4	119.7°	119.4°
C10	O1	C7	109.4°	110.9°
O1	C10	C9	106.2°	107.7°
O1	C7	C4	123.1°	125.2°
O1	C7	C8	109.2°	109.6°
C6	C5	C4	120.0°	120.0°
C5	C6	C1	119.7°	120.0°
C6	C5	H12	120.0°	120.0°
C5	C4	C7	118.7°	120.0°
C5	C4	C3	119.7°	120.0°
C4	C5	H12	120.0°	120.0°
C6	C1	C2	121.1°	120.0°
C6	C1	H1	119.5°	120.0°
C10	C9	C11	123.0°	119.5°
C10	C9	C8	107.5°	105.8°
C4	C7	C8	127.6°	125.2°
C7	C4	C3	121.6°	120.0°
C7	C8	C9	107.6°	106.0°
C7	C8	H13	126.2°	127.0°
C4	C3	C2	119.9°	120.0°
C4	C3	H11	120.0°	120.0°
N1	C11	C9	119.4°	119.4°
N1	C11	O2	117.7°	120.3°
C11	N1	H4	119.7°	119.5°
C1	C2	C3	119.6°	120.0°
C1	C2	C16	117.4°	120.0°
C2	C1	H1	119.5°	120.0°
C11	C9	C8	129.5°	134.8°
C9	C11	O2	122.8°	120.3°
C9	C8	H13	126.2°	127.0°
C3	C2	C16	123.0°	120.0°
C2	C3	H11	120.1°	119.9°
C2	C16	O6	114.2°	120.0°
C2	C16	O5	121.9°	120.0°
C16	O6	C17	110.8°	117.0°
O6	C16	O5	123.8°	120.0°
O6	C17	H8	109.5°	109.4°
O6	C17	H9	109.4°	109.5°
O6	C17	H10	109.5°	109.5°
H5	C15	H6	109.5°	109.4°
H5	C15	H7	109.4°	109.5°
H6	C15	H7	109.5°	109.5°
H8	C17	H9	109.5°	109.5°
H8	C17	H10	109.5°	109.4°
H9	C17	H10	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	O4	C14	O3	24.5°	0.0°
C15	O4	C14	C6	155.0°	180.0°
O4	C15	H5	H6	120.0°	120.0°
O4	C15	H5	H7	120.0°	120.0°
O4	C15	H6	H7	120.0°	120.0°
O4	C14	O3	C6	179.5°	180.0°
O4	C14	C6	C5	36.3°	180.0°
O4	C14	C6	C1	144.2°	0.5°
C14	O4	C15	H5	180.0°	60.0°
C14	O4	C15	H6	60.0°	60.0°
C14	O4	C15	H7	60.0°	180.0°
O3	C14	C6	C5	144.1°	0.0°
O3	C14	C6	C1	35.3°	179.5°
C14	C6	C5	C1	179.4°	179.5°
C14	C6	C5	C4	179.5°	180.0°
C14	C6	C1	C2	179.4°	179.9°
C14	C6	C1	H1	0.6°	0.3°
C14	C6	C5	H12	0.5°	0.5°
C12	C13	C10	H3	180.0°	180.0°
C13	C12	N1	H2	180.0°	179.9°
C12	C13	C10	O1	173.2°	179.7°
C12	C13	C10	C9	10.8°	0.1°
C13	C12	N1	C11	14.6°	0.0°
C13	C12	N1	H4	165.4°	180.0°
C10	C13	C12	N1	16.3°	0.1°
C13	C10	O1	C9	176.6°	179.8°
C13	C10	O1	C7	178.6°	179.7°
C13	C10	C9	C11	2.0°	0.1°
C13	C10	C9	C8	177.8°	180.0°
C10	C13	C12	H2	163.7°	180.0°
C12	N1	C11	H4	180.0°	180.0°
C12	N1	C11	C9	4.8°	0.0°
C12	N1	C11	O2	178.0°	179.9°
N1	C12	C13	H3	163.8°	179.9°
C10	O1	C7	C4	179.8°	179.9°
C10	O1	C7	C8	1.9°	0.3°
O1	C10	C9	C11	178.6°	179.8°
O1	C10	C9	C8	1.2°	0.1°
O1	C10	C13	H3	6.8°	0.3°
O1	C7	C4	C5	15.0°	179.5°
C7	O1	C10	C9	1.9°	0.1°
O1	C7	C4	C8	177.5°	179.5°
O1	C7	C4	C3	166.3°	0.5°
O1	C7	C8	C9	1.1°	0.3°
O1	C7	C8	H13	178.9°	179.6°
C6	C5	C4	H12	180.0°	179.5°
C6	C5	C4	C7	179.2°	179.8°
C6	C5	C4	C3	0.4°	0.2°
C5	C6	C1	C2	0.1°	0.5°
C5	C6	C1	H1	180.0°	179.8°
C4	C5	C6	C1	0.1°	0.5°
C5	C4	C7	C3	178.7°	180.0°
C5	C4	C7	C8	162.5°	0.0°
C5	C4	C3	C2	0.7°	0.0°
C5	C4	C3	H11	179.3°	180.0°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	C3	0.2°	0.3°
C6	C1	C2	C16	179.9°	179.7°
C1	C6	C5	H12	179.9°	180.0°
C10	C9	C8	C7	0.1°	0.3°
C10	C9	C11	N1	2.0°	0.0°
C10	C9	C11	C8	179.8°	179.9°
C10	C9	C11	O2	175.0°	179.9°
C9	C10	C13	H3	169.2°	179.9°
C10	C9	C8	H13	179.9°	179.7°
C4	C7	C8	C9	178.9°	179.9°
C7	C4	C3	C2	179.4°	180.0°
C7	C4	C3	H11	0.6°	0.1°
C7	C4	C5	H12	0.8°	0.2°
C4	C7	C8	H13	1.1°	0.0°
C8	C7	C4	C3	16.2°	180.0°
C7	C8	C9	C11	179.7°	179.6°
C7	C8	C9	H13	180.0°	180.0°
C4	C3	C2	C1	0.5°	0.0°
C4	C3	C2	H11	180.0°	179.9°
C4	C3	C2	C16	179.7°	180.0°
C3	C4	C5	H12	179.5°	179.7°
N1	C11	C9	O2	177.0°	179.9°
N1	C11	C9	C8	178.2°	179.9°
C11	N1	C12	H2	165.4°	180.0°
C1	C2	C3	C16	179.7°	180.0°
C1	C2	C16	O6	0.7°	0.0°
C1	C2	C16	O5	177.8°	180.0°
C1	C2	C3	H11	179.5°	179.9°
C11	C9	C8	H13	0.2°	0.4°
C9	C11	N1	H4	175.2°	180.0°
C8	C9	C11	O2	4.8°	0.0°
O2	C11	N1	H4	1.9°	0.1°
C3	C2	C16	O6	179.5°	180.0°
C3	C2	C16	O5	2.0°	0.0°
C3	C2	C1	H1	179.8°	180.0°
C2	C16	O6	O5	178.5°	180.0°
C2	C16	O6	C17	107.4°	180.0°
C16	C2	C1	H1	0.1°	0.1°
C16	C2	C3	H11	0.3°	0.1°
C16	O6	C17	H8	180.0°	60.0°
C16	O6	C17	H9	60.0°	180.0°
C16	O6	C17	H10	60.0°	59.9°
C17	O6	C16	O5	71.1°	0.1°
O6	C17	H8	H9	120.0°	120.0°
O6	C17	H8	H10	120.0°	119.9°
O6	C17	H9	H10	120.0°	120.1°
H2	C12	C13	H3	16.2°	0.0°
H2	C12	N1	H4	14.6°	0.0°
H5	C15	H6	H7	120.0°	120.0°
H8	C17	H9	H10	120.0°	120.0°

Release date:	2025-01-29
Definition date:	2024-02-04
Last modified:	2025-01-24
Release status:	REL
Processing site:	PDBJ
Derived from:	8Y26