A1CQV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.49Å
N1	C2	doub	1.30Å	1.35Å	Aromatic
N1	N2	sing	1.40Å	1.36Å	Aromatic
C2	C15	sing	1.46Å	1.42Å	Aromatic
C3	N2	sing	1.47Å	1.45Å
N2	C4	sing	1.37Å	1.35Å	Aromatic
C15	C4	doub	1.41Å	1.42Å	Aromatic
C15	C14	sing	1.40Å	1.40Å	Aromatic
C4	N3	sing	1.33Å	1.33Å	Aromatic
C14	C6	doub	1.40Å	1.40Å	Aromatic
N3	C5	doub	1.31Å	1.31Å	Aromatic
C6	C5	sing	1.40Å	1.41Å	Aromatic
C6	C7	sing	1.48Å	1.50Å
C7	O1	doub	1.22Å	1.22Å
C7	N4	sing	1.35Å	1.33Å
N4	C8	sing	1.46Å	1.45Å
C8	C9	sing	1.51Å	1.51Å
C9	C10	doub	1.39Å	1.38Å	Aromatic
C9	C13	sing	1.38Å	1.37Å	Aromatic
C10	C11	sing	1.39Å	1.37Å	Aromatic
C13	N5	doub	1.32Å	1.33Å	Aromatic
C11	C12	doub	1.38Å	1.36Å	Aromatic
N5	C12	sing	1.32Å	1.33Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.08Å	1.08Å
N4	H10	sing	0.97Å	1.00Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
C14	CL1	sing	1.74Å	1.78Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N1	120.6°	126.2°
C1	C2	C15	129.5°	126.2°
C2	C1	H3	109.5°	109.5°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.5°	109.5°
C2	N1	N2	107.1°	110.1°
N1	C2	C15	109.9°	107.6°
N1	N2	C3	120.8°	125.3°
N1	N2	C4	111.1°	109.3°
C2	C15	C4	104.2°	106.5°
C2	C15	C14	138.3°	134.1°
C3	N2	C4	128.1°	125.3°
N2	C3	H6	109.5°	109.5°
N2	C3	H7	109.5°	109.4°
N2	C3	H8	109.5°	109.4°
N2	C4	C15	107.7°	106.5°
N2	C4	N3	126.6°	133.3°
C4	C15	C14	117.4°	119.4°
C15	C4	N3	125.7°	120.2°
C15	C14	C6	117.1°	117.9°
C15	C14	CL1	122.1°	121.1°
C4	N3	C5	116.0°	121.9°
C14	C6	C5	119.5°	119.1°
C14	C6	C7	125.0°	120.5°
C6	C14	CL1	120.7°	121.0°
N3	C5	C6	124.4°	121.4°
N3	C5	H9	117.8°	119.3°
C5	C6	C7	115.5°	120.4°
C6	C5	H9	117.8°	119.4°
C6	C7	O1	121.4°	120.0°
C6	C7	N4	116.0°	120.0°
O1	C7	N4	122.5°	120.0°
C7	N4	C8	120.6°	120.0°
C7	N4	H10	119.7°	120.0°
N4	C8	C9	114.6°	109.5°
C8	N4	H10	119.7°	120.0°
N4	C8	H11	108.2°	109.5°
N4	C8	H12	108.2°	109.5°
C8	C9	C10	121.8°	120.4°
C8	C9	C13	120.9°	120.4°
C9	C8	H11	108.2°	109.5°
C9	C8	H12	108.2°	109.5°
C10	C9	C13	117.3°	119.2°
C9	C10	C11	119.8°	118.4°
C9	C10	H13	120.1°	120.8°
C9	C13	N5	124.0°	120.8°
C9	C13	H14	118.0°	119.6°
C10	C11	C12	118.6°	119.1°
C10	C11	H1	120.7°	120.4°
C11	C10	H13	120.1°	120.8°
C13	N5	C12	117.1°	121.7°
N5	C13	H14	118.0°	119.6°
C11	C12	N5	123.2°	120.8°
C12	C11	H1	120.7°	120.5°
C11	C12	H2	118.4°	119.6°
N5	C12	H2	118.4°	119.6°
H3	C1	H4	109.5°	109.5°
H3	C1	H5	109.4°	109.5°
H4	C1	H5	109.4°	109.4°
H6	C3	H7	109.4°	109.5°
H6	C3	H8	109.5°	109.5°
H7	C3	H8	109.5°	109.5°
H11	C8	H12	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N1	C15	176.8°	179.7°
C1	C2	N1	N2	178.0°	180.0°
C1	C2	C15	C4	177.3°	179.9°
C1	C2	C15	C14	2.6°	0.8°
C2	C1	H3	H4	120.0°	120.0°
C2	C1	H3	H5	120.0°	120.0°
C2	C1	H4	H5	120.0°	120.0°
C2	N1	N2	C3	179.1°	179.9°
C2	N1	N2	C4	1.2°	0.0°
N1	C2	C15	C4	0.8°	0.5°
N1	C2	C15	C14	179.0°	179.5°
N1	C2	C1	H3	0.0°	89.7°
N1	C2	C1	H4	120.0°	30.4°
N1	C2	C1	H5	120.0°	150.3°
N2	N1	C2	C15	1.2°	0.3°
N1	N2	C3	C4	179.6°	179.9°
N1	N2	C4	C15	0.7°	0.2°
N1	N2	C4	N3	179.2°	179.9°
N1	N2	C3	H6	0.0°	89.9°
N1	N2	C3	H7	120.0°	150.1°
N1	N2	C3	H8	120.0°	30.1°
C2	C15	C4	N2	0.1°	0.4°
C2	C15	C4	C14	179.9°	179.2°
C2	C15	C4	N3	180.0°	179.8°
C2	C15	C14	C6	180.0°	179.5°
C15	C2	C1	H3	176.1°	90.0°
C15	C2	C1	H4	63.9°	150.0°
C15	C2	C1	H5	56.1°	30.0°
C2	C15	C14	CL1	2.4°	0.7°
C3	N2	C4	C15	179.7°	179.7°
C3	N2	C4	N3	0.4°	0.0°
N2	C3	H6	H7	120.0°	120.0°
N2	C3	H6	H8	120.0°	120.0°
N2	C3	H7	H8	120.0°	119.9°
N2	C4	C15	N3	179.9°	179.7°
N2	C4	C15	C14	179.8°	179.6°
N2	C4	N3	C5	179.5°	180.0°
C4	N2	C3	H6	179.6°	90.0°
C4	N2	C3	H7	59.6°	30.0°
C4	N2	C3	H8	60.4°	150.0°
C4	C15	C14	C6	0.2°	0.6°
C15	C4	N3	C5	0.3°	0.3°
C4	C15	C14	CL1	177.8°	179.7°
C14	C15	C4	N3	0.1°	0.6°
C15	C14	C6	CL1	177.6°	179.7°
C15	C14	C6	C5	0.5°	0.3°
C15	C14	C6	C7	179.3°	179.7°
C4	N3	C5	C6	0.7°	0.1°
C4	N3	C5	H9	179.3°	180.0°
C14	C6	C5	N3	0.8°	0.0°
C14	C6	C5	C7	178.9°	180.0°
C14	C6	C7	O1	130.0°	0.0°
C14	C6	C7	N4	53.6°	180.0°
C14	C6	C5	H9	179.1°	180.0°
N3	C5	C6	H9	180.0°	180.0°
N3	C5	C6	C7	179.8°	180.0°
C5	C6	C7	O1	51.1°	180.0°
C5	C6	C7	N4	125.3°	0.0°
C5	C6	C14	CL1	178.1°	179.9°
C6	C7	O1	N4	176.2°	180.0°
C6	C7	N4	C8	175.2°	180.0°
C7	C6	C5	H9	0.2°	0.0°
C6	C7	N4	H10	4.8°	0.0°
C7	C6	C14	CL1	3.0°	0.0°
O1	C7	N4	C8	1.2°	0.0°
O1	C7	N4	H10	178.8°	180.0°
C7	N4	C8	H10	180.0°	180.0°
C7	N4	C8	C9	139.4°	180.0°
C7	N4	C8	H11	99.9°	60.0°
C7	N4	C8	H12	18.6°	60.0°
N4	C8	C9	H11	120.7°	120.0°
N4	C8	C9	H12	120.8°	120.0°
N4	C8	C9	C10	137.7°	90.0°
N4	C8	C9	C13	42.9°	89.5°
N4	C8	H11	H12	117.7°	120.0°
C8	C9	C10	C13	179.4°	179.5°
C8	C9	C10	C11	179.5°	180.0°
C8	C9	C13	N5	179.4°	179.8°
C9	C8	N4	H10	40.6°	0.0°
C9	C8	H11	H12	117.7°	120.0°
C8	C9	C10	H13	0.5°	0.0°
C8	C9	C13	H14	0.6°	0.6°
C9	C10	C11	H13	180.0°	180.0°
C10	C9	C13	N5	0.1°	0.8°
C9	C10	C11	C12	0.2°	0.0°
C9	C10	C11	H1	179.9°	179.8°
C10	C9	C8	H11	16.9°	30.0°
C10	C9	C8	H12	101.6°	150.0°
C10	C9	C13	H14	179.9°	180.0°
C13	C9	C10	C11	0.1°	0.5°
C9	C13	N5	H14	180.0°	179.2°
C9	C13	N5	C12	0.5°	0.5°
C13	C9	C8	H11	163.7°	150.5°
C13	C9	C8	H12	77.8°	30.6°
C13	C9	C10	H13	179.9°	179.5°
C10	C11	C12	H1	180.0°	179.8°
C10	C11	C12	N5	0.6°	0.2°
C10	C11	C12	H2	179.4°	179.7°
C13	N5	C12	C11	0.7°	0.0°
C13	N5	C12	H2	179.3°	180.0°
C11	C12	N5	H2	180.0°	180.0°
C12	C11	C10	H13	179.8°	180.0°
N5	C12	C11	H1	179.4°	180.0°
C12	N5	C13	H14	179.5°	179.7°
H1	C11	C12	H2	0.6°	0.0°
H1	C11	C10	H13	0.2°	0.2°
H3	C1	H4	H5	119.9°	120.0°
H6	C3	H7	H8	120.0°	120.0°
H10	N4	C8	H11	80.1°	120.0°
H10	N4	C8	H12	161.4°	120.0°

Release date:	2026-01-21
Definition date:	2025-08-24
Last modified:	2026-01-16
Release status:	REL
Processing site:	RCSB
Derived from:	9Q64