A1EN9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	O3	sing	1.43Å	1.40Å
O3	C15	sing	1.36Å	1.39Å
O2	C16	sing	1.36Å	1.39Å
C15	C16	doub	1.39Å	1.37Å	Aromatic
C15	C9	sing	1.39Å	1.41Å	Aromatic
C10	C9	sing	1.51Å	1.55Å
C10	N1	sing	1.47Å	1.50Å
C16	C17	sing	1.39Å	1.36Å	Aromatic
C9	C8	doub	1.38Å	1.30Å	Aromatic
C11	N1	sing	1.47Å	1.49Å
C11	C12	sing	1.53Å	1.53Å
N1	C6	sing	1.47Å	1.47Å
C6	C7	sing	1.53Å	1.51Å
C6	C5	sing	1.51Å	1.53Å
C17	C18	doub	1.38Å	1.37Å	Aromatic
C8	C18	sing	1.39Å	1.41Å	Aromatic
C8	C7	sing	1.51Å	1.48Å
C12	C13	sing	1.51Å	1.50Å
C5	C13	doub	1.38Å	1.29Å	Aromatic
C5	C4	sing	1.39Å	1.41Å	Aromatic
C13	C14	sing	1.39Å	1.42Å	Aromatic
C4	C3	doub	1.38Å	1.36Å	Aromatic
C14	C2	doub	1.38Å	1.36Å	Aromatic
C3	C2	sing	1.39Å	1.35Å	Aromatic
C3	O4	sing	1.36Å	1.39Å
C2	O1	sing	1.36Å	1.37Å
O1	C1	sing	1.43Å	1.38Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.08Å	1.08Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.08Å	1.08Å
C18	H17	sing	1.08Å	1.08Å
C19	H18	sing	1.09Å	1.10Å
C19	H19	sing	1.09Å	1.10Å
C19	H20	sing	1.09Å	1.10Å
O2	H21	sing	0.97Å	0.95Å
O4	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	O3	C15	113.3°	117.0°
O3	C19	H18	109.5°	109.5°
O3	C19	H19	109.5°	109.5°
O3	C19	H20	109.5°	109.5°
O3	C15	C16	120.7°	119.9°
O3	C15	C9	119.9°	119.9°
O2	C16	C15	120.4°	120.1°
O2	C16	C17	119.0°	120.2°
C16	O2	H21	109.5°	114.0°
C16	C15	C9	119.4°	120.2°
C15	C16	C17	120.6°	119.7°
C15	C9	C10	121.8°	118.5°
C15	C9	C8	119.6°	119.8°
C9	C10	N1	114.8°	110.7°
C10	C9	C8	118.7°	121.8°
C9	C10	H6	108.1°	109.2°
C9	C10	H7	108.1°	109.2°
C10	N1	C11	128.4°	109.9°
C10	N1	C6	105.5°	110.2°
N1	C10	H6	108.1°	109.2°
N1	C10	H7	108.1°	109.3°
C16	C17	C18	120.1°	119.8°
C16	C17	H8	119.9°	120.1°
C9	C8	C18	121.9°	119.9°
C9	C8	C7	120.1°	121.6°
N1	C11	C12	112.2°	108.9°
C11	N1	C6	116.2°	111.0°
N1	C11	H12	108.8°	109.6°
N1	C11	H13	108.8°	109.6°
C11	C12	C13	111.0°	109.4°
C12	C11	H12	108.8°	109.5°
C12	C11	H13	108.8°	109.5°
C11	C12	H14	109.1°	109.5°
C11	C12	H15	109.1°	109.5°
N1	C6	C7	104.3°	108.6°
N1	C6	C5	115.6°	111.3°
N1	C6	H3	110.3°	109.5°
C7	C6	C5	107.2°	108.6°
C6	C7	C8	115.6°	110.2°
C7	C6	H3	109.8°	109.4°
C6	C7	H4	107.9°	109.4°
C6	C7	H5	107.9°	109.3°
C6	C5	C13	121.8°	122.4°
C6	C5	C4	118.5°	118.0°
C5	C6	H3	109.4°	109.3°
C17	C18	C8	118.5°	120.5°
C18	C17	H8	120.0°	120.1°
C17	C18	H17	120.7°	119.8°
C18	C8	C7	118.1°	118.4°
C8	C18	H17	120.7°	119.7°
C8	C7	H4	107.9°	109.3°
C8	C7	H5	107.9°	109.2°
C12	C13	C5	124.1°	121.3°
C12	C13	C14	115.1°	118.5°
C13	C12	H14	109.1°	109.5°
C13	C12	H15	109.1°	109.5°
C13	C5	C4	119.7°	119.6°
C5	C13	C14	120.8°	120.2°
C5	C4	C3	120.2°	120.5°
C5	C4	H2	119.9°	119.8°
C13	C14	C2	118.9°	120.3°
C13	C14	H16	120.6°	119.9°
C4	C3	C2	119.4°	119.7°
C4	C3	O4	120.4°	120.1°
C3	C4	H2	119.9°	119.7°
C14	C2	C3	121.0°	119.6°
C14	C2	O1	118.5°	120.2°
C2	C14	H16	120.6°	119.8°
C2	C3	O4	120.2°	120.2°
C3	C2	O1	120.4°	120.1°
C3	O4	H22	109.5°	114.0°
C2	O1	C1	106.8°	117.0°
O1	C1	H9	109.5°	109.5°
O1	C1	H10	109.4°	109.5°
O1	C1	H11	109.5°	109.5°
H4	C7	H5	109.4°	109.4°
H6	C10	H7	109.5°	109.2°
H9	C1	H10	109.5°	109.5°
H9	C1	H11	109.5°	109.5°
H10	C1	H11	109.5°	109.4°
H12	C11	H13	109.5°	109.7°
H14	C12	H15	109.5°	109.5°
H18	C19	H19	109.5°	109.5°
H18	C19	H20	109.5°	109.4°
H19	C19	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	O3	C15	C16	82.1°	90.0°
C19	O3	C15	C9	98.2°	89.9°
O3	C19	H18	H19	120.0°	120.0°
O3	C19	H18	H20	120.0°	120.0°
O3	C19	H19	H20	120.0°	120.0°
O3	C15	C16	O2	0.2°	0.0°
O3	C15	C16	C9	179.7°	180.0°
O3	C15	C9	C10	0.1°	0.2°
O3	C15	C16	C17	179.7°	180.0°
O3	C15	C9	C8	179.8°	179.8°
C15	O3	C19	H18	180.0°	60.0°
C15	O3	C19	H19	60.0°	180.0°
C15	O3	C19	H20	60.0°	60.0°
O2	C16	C15	C17	180.0°	179.9°
O2	C16	C15	C9	179.4°	179.9°
O2	C16	C17	C18	179.5°	179.9°
O2	C16	C17	H8	0.5°	0.0°
C16	C15	C9	C10	179.8°	179.7°
C16	C15	C9	C8	0.1°	0.3°
C15	C16	C17	C18	0.5°	0.1°
C15	C16	C17	H8	179.5°	179.9°
C15	C16	O2	H21	180.0°	90.0°
C15	C9	C10	C8	179.9°	180.0°
C15	C9	C10	N1	163.5°	162.4°
C9	C15	C16	C17	0.6°	0.0°
C15	C9	C8	C18	0.5°	0.3°
C15	C9	C8	C7	180.0°	179.5°
C15	C9	C10	H6	42.8°	77.3°
C15	C9	C10	H7	75.7°	42.1°
C9	C10	N1	H6	120.8°	120.3°
C9	C10	N1	H7	120.8°	120.4°
C9	C10	N1	C11	163.8°	175.0°
C9	C10	N1	C6	52.7°	52.4°
C10	C9	C8	C18	179.6°	179.6°
C10	C9	C8	C7	0.1°	0.5°
C9	C10	H6	H7	117.6°	119.4°
N1	C10	C9	C8	16.6°	17.6°
C10	N1	C11	C6	140.3°	122.2°
C10	N1	C11	C12	171.7°	167.9°
C10	N1	C6	C7	70.0°	70.7°
C10	N1	C6	C5	172.5°	169.7°
C10	N1	C6	H3	47.8°	48.7°
N1	C10	H6	H7	117.6°	119.4°
C10	N1	C11	H12	51.3°	48.1°
C10	N1	C11	H13	67.8°	72.2°
C16	C17	C18	H8	180.0°	180.0°
C16	C17	C18	C8	0.1°	0.1°
C16	C17	C18	H17	179.9°	179.9°
C17	C16	O2	H21	0.0°	90.0°
C9	C8	C7	C6	21.1°	16.7°
C9	C8	C18	C17	0.6°	0.2°
C9	C8	C18	C7	179.5°	179.8°
C9	C8	C7	H4	99.8°	103.5°
C9	C8	C7	H5	142.0°	136.8°
C8	C9	C10	H6	137.3°	102.7°
C8	C9	C10	H7	104.2°	138.0°
C9	C8	C18	H17	179.4°	179.9°
N1	C11	C12	H12	120.4°	119.8°
N1	C11	C12	H13	120.4°	119.9°
C11	N1	C6	C7	141.3°	167.2°
C11	N1	C6	C5	23.9°	47.7°
N1	C11	C12	C13	46.7°	52.8°
C11	N1	C6	H3	100.9°	73.3°
C11	N1	C10	H6	43.0°	54.7°
C11	N1	C10	H7	75.4°	64.6°
N1	C11	H12	H13	118.8°	120.3°
N1	C11	C12	H14	73.5°	172.8°
N1	C11	C12	H15	167.0°	67.2°
C12	C11	N1	C6	48.0°	69.9°
C11	C12	C13	H14	120.2°	120.0°
C11	C12	C13	H15	120.2°	120.0°
C11	C12	C13	C5	24.5°	19.5°
C11	C12	C13	C14	155.5°	160.5°
C12	C11	H12	H13	118.7°	120.2°
C11	C12	H14	H15	119.3°	120.0°
N1	C6	C7	C5	123.1°	121.2°
N1	C6	C7	H3	118.2°	119.5°
N1	C6	C5	H3	125.2°	121.1°
N1	C6	C7	C8	57.1°	50.1°
N1	C6	C5	C13	0.8°	13.2°
N1	C6	C5	C4	178.3°	166.7°
N1	C6	C7	H4	63.8°	70.1°
N1	C6	C7	H5	178.0°	170.2°
C6	N1	C10	H6	173.5°	67.9°
C6	N1	C10	H7	68.1°	172.7°
C6	N1	C11	H12	168.4°	170.3°
C6	N1	C11	H13	72.4°	50.0°
C7	C6	C5	H3	119.0°	119.3°
C6	C7	C8	C18	159.3°	163.4°
C6	C7	C8	H4	120.9°	120.2°
C6	C7	C8	H5	120.9°	120.1°
C7	C6	C5	C13	115.1°	132.7°
C7	C6	C5	C4	65.8°	47.2°
C6	C7	H4	H5	117.2°	119.7°
C5	C6	C7	C8	179.8°	171.4°
C6	C5	C13	C12	0.5°	0.2°
C6	C5	C13	C4	179.1°	179.9°
C6	C5	C13	C14	179.5°	179.8°
C6	C5	C4	C3	179.7°	179.7°
C6	C5	C4	H2	0.3°	0.1°
C5	C6	C7	H4	59.3°	51.2°
C5	C6	C7	H5	58.9°	68.6°
C17	C18	C8	H17	180.0°	179.9°
C17	C18	C8	C7	179.9°	179.6°
C18	C8	C7	H4	79.8°	76.3°
C18	C8	C7	H5	38.4°	43.3°
C8	C18	C17	H8	179.9°	180.0°
C8	C7	C6	H3	61.1°	69.3°
C8	C7	H4	H5	117.2°	119.6°
C7	C8	C18	H17	0.2°	0.3°
C12	C13	C5	C14	180.0°	180.0°
C12	C13	C5	C4	179.6°	179.9°
C12	C13	C14	C2	179.4°	180.0°
C13	C12	C11	H12	167.2°	172.7°
C13	C12	C11	H13	73.7°	67.0°
C13	C12	H14	H15	119.3°	120.1°
C12	C13	C14	H16	0.6°	0.0°
C13	C5	C4	C3	0.5°	0.1°
C5	C13	C14	C2	0.6°	0.0°
C13	C5	C4	H2	179.5°	180.0°
C13	C5	C6	H3	126.0°	107.9°
C5	C13	C12	H14	95.7°	139.5°
C5	C13	C12	H15	144.7°	100.5°
C5	C13	C14	H16	179.4°	180.0°
C4	C5	C13	C14	0.5°	0.1°
C5	C4	C3	H2	180.0°	179.9°
C5	C4	C3	C2	0.8°	0.1°
C5	C4	C3	O4	179.7°	180.0°
C4	C5	C6	H3	53.1°	72.2°
C13	C14	C2	H16	180.0°	179.9°
C13	C14	C2	C3	0.9°	0.0°
C13	C14	C2	O1	179.9°	180.0°
C14	C13	C12	H14	84.3°	40.5°
C14	C13	C12	H15	35.3°	79.5°
C4	C3	C2	C14	1.0°	0.0°
C4	C3	C2	O4	179.5°	179.8°
C4	C3	C2	O1	180.0°	179.9°
C4	C3	O4	H22	180.0°	90.0°
C14	C2	C3	O1	179.0°	180.0°
C14	C2	C3	O4	179.5°	179.9°
C14	C2	O1	C1	31.6°	0.1°
C3	C2	O1	C1	147.4°	180.0°
C2	C3	C4	H2	179.2°	180.0°
C3	C2	C14	H16	179.1°	179.9°
C2	C3	O4	H22	0.5°	90.1°
O4	C3	C2	O1	0.5°	0.1°
O4	C3	C4	H2	0.2°	0.2°
C2	O1	C1	H9	180.0°	59.9°
C2	O1	C1	H10	60.0°	60.1°
C2	O1	C1	H11	60.0°	180.0°
O1	C2	C14	H16	0.1°	0.0°
O1	C1	H9	H10	120.0°	120.0°
O1	C1	H9	H11	120.0°	120.0°
O1	C1	H10	H11	120.0°	119.9°
H3	C6	C7	H4	178.0°	170.4°
H3	C6	C7	H5	59.8°	50.7°
H8	C17	C18	H17	0.1°	0.1°
H9	C1	H10	H11	120.0°	120.0°
H12	C11	C12	H14	46.9°	67.3°
H12	C11	C12	H15	72.6°	52.7°
H13	C11	C12	H14	166.1°	53.0°
H13	C11	C12	H15	46.5°	173.0°
H18	C19	H19	H20	120.0°	120.0°

Release date:	2026-10-07
Definition date:	2025-03-26
Last modified:	2026-10-02
Release status:	REL
Processing site:	PDBC
Derived from:	9U5F