A1EQY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	doub	1.33Å	1.35Å	Aromatic
N1	N2	sing	1.28Å	1.33Å	Aromatic
C1	C2	sing	1.40Å	1.41Å	Aromatic
C1	C5	sing	1.48Å	1.47Å
C2	C3	doub	1.39Å	1.42Å	Aromatic
C3	C4	sing	1.39Å	1.41Å	Aromatic
C3	O1	sing	1.36Å	1.39Å
C4	N2	doub	1.32Å	1.35Å	Aromatic
C4	CL1	sing	1.74Å	1.73Å
C5	C6	sing	1.47Å	1.46Å
C5	C8	doub	1.36Å	1.37Å
O1	C9	sing	1.43Å	1.43Å
C6	N3	sing	1.35Å	1.39Å
C6	O2	doub	1.22Å	1.22Å
N3	C7	sing	1.34Å	1.39Å
C7	N4	sing	1.34Å	1.40Å
C7	O3	doub	1.22Å	1.23Å
N4	C8	sing	1.36Å	1.39Å
C9	C10	sing	1.53Å	1.53Å
C10	C11	sing	1.51Å	1.52Å
C11	C12	doub	1.38Å	1.41Å	Aromatic
C11	C16	sing	1.38Å	1.41Å	Aromatic
C12	C13	sing	1.38Å	1.41Å	Aromatic
C13	C14	doub	1.38Å	1.41Å	Aromatic
C14	C15	sing	1.38Å	1.42Å	Aromatic
C15	C16	doub	1.38Å	1.41Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C9	H6	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C15	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
N3	H2	sing	0.97Å	1.00Å
N4	H3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	N2	119.4°	122.2°
N1	C1	C2	122.5°	119.7°
N1	C1	C5	117.3°	120.1°
N1	N2	C4	121.5°	122.4°
C2	C1	C5	120.3°	120.1°
C1	C2	C3	118.2°	117.8°
C1	C2	H1	120.9°	121.1°
C1	C5	C6	120.6°	120.9°
C1	C5	C8	121.2°	120.8°
C2	C3	C4	115.7°	118.0°
C2	C3	O1	125.8°	121.0°
C3	C2	H1	120.9°	121.1°
C4	C3	O1	118.5°	121.0°
C3	C4	N2	122.7°	120.0°
C3	C4	CL1	118.8°	120.0°
C3	O1	C9	116.2°	117.0°
N2	C4	CL1	118.4°	120.0°
C6	C5	C8	118.2°	118.3°
C5	C6	N3	116.1°	118.7°
C5	C6	O2	124.4°	120.6°
C5	C8	N4	123.1°	119.5°
C5	C8	H4	118.5°	120.3°
O1	C9	C10	112.5°	109.5°
O1	C9	H6	108.7°	109.4°
O1	C9	H5	108.7°	109.5°
N3	C6	O2	119.5°	120.7°
C6	N3	C7	125.7°	120.3°
C6	N3	H2	117.2°	119.8°
N3	C7	N4	116.1°	121.8°
N3	C7	O3	121.1°	119.1°
C7	N3	H2	117.1°	119.8°
N4	C7	O3	122.8°	119.1°
C7	N4	C8	120.9°	121.4°
C7	N4	H3	119.6°	119.3°
N4	C8	H4	118.5°	120.3°
C8	N4	H3	119.6°	119.3°
C9	C10	C11	112.2°	109.5°
C10	C9	H6	108.7°	109.5°
C10	C9	H5	108.7°	109.5°
C9	C10	H7	108.8°	109.5°
C9	C10	H8	108.8°	109.5°
C10	C11	C12	120.8°	120.0°
C10	C11	C16	119.8°	120.0°
C11	C10	H7	108.8°	109.4°
C11	C10	H8	108.8°	109.5°
C12	C11	C16	119.5°	120.0°
C11	C12	C13	120.6°	120.0°
C11	C12	H9	119.7°	120.0°
C11	C16	C15	120.2°	120.0°
C11	C16	H13	119.9°	120.0°
C12	C13	C14	119.8°	120.0°
C13	C12	H9	119.7°	120.0°
C12	C13	H10	120.1°	120.0°
C13	C14	C15	119.8°	120.0°
C14	C13	H10	120.1°	120.0°
C13	C14	H11	120.1°	120.1°
C14	C15	C16	120.2°	120.0°
C15	C14	H11	120.1°	120.0°
C14	C15	H12	119.9°	120.0°
C16	C15	H12	119.9°	120.0°
C15	C16	H13	119.9°	120.0°
H6	C9	H5	109.5°	109.5°
H7	C10	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	C5	179.0°	179.7°
N1	C1	C2	C3	0.2°	0.3°
C1	N1	N2	C4	0.6°	0.7°
N1	C1	C5	C6	141.0°	0.3°
N1	C1	C5	C8	40.4°	180.0°
N1	C1	C2	H1	179.8°	179.7°
N2	N1	C1	C2	0.4°	0.7°
N2	N1	C1	C5	179.4°	179.7°
N1	N2	C4	C3	0.5°	0.4°
N1	N2	C4	CL1	179.9°	179.6°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	O1	178.9°	180.0°
C2	C1	C5	C6	40.0°	180.0°
C2	C1	C5	C8	138.6°	0.3°
C5	C1	C2	C3	179.1°	180.0°
C1	C5	C6	C8	178.7°	179.7°
C1	C5	C6	N3	179.1°	180.0°
C1	C5	C6	O2	1.3°	0.1°
C1	C5	C8	N4	179.2°	179.9°
C5	C1	C2	H1	0.8°	0.0°
C1	C5	C8	H4	0.8°	0.0°
C2	C3	C4	O1	179.0°	180.0°
C2	C3	C4	N2	0.2°	0.0°
C2	C3	C4	CL1	179.8°	180.0°
C2	C3	O1	C9	19.2°	0.0°
C3	C4	N2	CL1	179.6°	180.0°
C4	C3	O1	C9	159.6°	180.0°
C4	C3	C2	H1	179.9°	180.0°
O1	C3	C4	N2	179.2°	180.0°
O1	C3	C4	CL1	1.2°	0.0°
C3	O1	C9	C10	169.9°	180.0°
O1	C3	C2	H1	1.1°	0.0°
C3	O1	C9	H6	69.6°	60.0°
C3	O1	C9	H5	49.4°	60.0°
C5	C6	N3	O2	179.6°	179.9°
C5	C6	N3	C7	0.2°	0.0°
C6	C5	C8	N4	0.5°	0.3°
C6	C5	C8	H4	179.5°	179.7°
C5	C6	N3	H2	179.8°	179.9°
C8	C5	C6	N3	0.5°	0.3°
C8	C5	C6	O2	180.0°	179.8°
C5	C8	N4	C7	0.3°	0.0°
C5	C8	N4	H4	180.0°	180.0°
C5	C8	N4	H3	179.7°	179.7°
O1	C9	C10	H6	120.4°	120.0°
O1	C9	C10	H5	120.5°	120.0°
O1	C9	C10	C11	73.5°	180.0°
O1	C9	H6	H5	118.6°	120.0°
O1	C9	C10	H7	46.9°	60.0°
O1	C9	C10	H8	166.1°	60.0°
C6	N3	C7	H2	180.0°	179.9°
C6	N3	C7	N4	0.0°	0.3°
C6	N3	C7	O3	179.4°	179.9°
O2	C6	N3	C7	179.8°	179.9°
O2	C6	N3	H2	0.2°	0.0°
N3	C7	N4	O3	179.4°	179.6°
N3	C7	N4	C8	0.0°	0.3°
N3	C7	N4	H3	180.0°	180.0°
C7	N4	C8	H3	180.0°	179.7°
C7	N4	C8	H4	179.7°	180.0°
N4	C7	N3	H2	180.0°	179.8°
O3	C7	N4	C8	179.4°	180.0°
O3	C7	N3	H2	0.6°	0.1°
O3	C7	N4	H3	0.6°	0.3°
C9	C10	C11	H7	120.4°	120.0°
C9	C10	C11	H8	120.4°	120.0°
C9	C10	C11	C12	39.6°	90.0°
C9	C10	C11	C16	140.1°	89.7°
C10	C9	H6	H5	118.6°	120.0°
C9	C10	H7	H8	118.7°	120.0°
C10	C11	C12	C16	179.6°	179.8°
C10	C11	C12	C13	179.3°	179.8°
C10	C11	C16	C15	179.6°	179.8°
C11	C10	C9	H6	166.1°	60.0°
C11	C10	C9	H5	47.0°	60.0°
C10	C11	C12	H9	0.7°	0.3°
C11	C10	H7	H8	118.8°	120.0°
C10	C11	C16	H13	0.4°	0.3°
C11	C12	C13	H9	180.0°	180.0°
C11	C12	C13	C14	0.4°	0.0°
C12	C11	C16	C15	0.1°	0.1°
C11	C12	C13	H10	179.5°	180.0°
C12	C11	C10	H7	160.0°	30.0°
C12	C11	C10	H8	80.8°	150.0°
C12	C11	C16	H13	179.9°	180.0°
C16	C11	C12	C13	0.3°	0.0°
C11	C16	C15	C14	0.1°	0.1°
C11	C16	C15	H13	180.0°	179.9°
C16	C11	C12	H9	179.7°	180.0°
C16	C11	C10	H7	19.6°	150.3°
C16	C11	C10	H8	99.6°	30.3°
C11	C16	C15	H12	180.0°	180.0°
C12	C13	C14	H10	180.0°	180.0°
C12	C13	C14	C15	0.3°	0.1°
C12	C13	C14	H11	179.7°	179.9°
C13	C14	C15	H11	180.0°	180.0°
C13	C14	C15	C16	0.1°	0.1°
C14	C13	C12	H9	179.6°	180.0°
C13	C14	C15	H12	179.9°	180.0°
C14	C15	C16	H12	180.0°	179.8°
C15	C14	C13	H10	179.7°	180.0°
C14	C15	C16	H13	179.9°	180.0°
C16	C15	C14	H11	179.9°	179.8°
H4	C8	N4	H3	0.3°	0.3°
H6	C9	C10	H7	73.5°	60.0°
H6	C9	C10	H8	45.7°	NaN°
H5	C9	C10	H7	167.4°	NaN°
H5	C9	C10	H8	73.4°	60.0°
H9	C12	C13	H10	0.4°	0.1°
H10	C13	C14	H11	0.3°	0.0°
H11	C14	C15	H12	0.1°	0.0°
H12	C15	C16	H13	0.0°	0.2°

Release date:	2026-06-03
Definition date:	2025-05-30
Last modified:	2026-05-29
Release status:	REL
Processing site:	PDBC
Derived from:	9V6D