A1PQL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.54Å	1.53Å
C10	C11	sing	1.55Å	1.54Å
C9	N5	sing	1.47Å	1.44Å
C11	C12	sing	1.51Å	1.52Å
N5	C12	sing	1.34Å	1.33Å
N5	N4	sing	1.40Å	1.39Å
C12	O2	doub	1.21Å	1.23Å
BR1	C4	sing	1.89Å	1.90Å
N4	C6	sing	1.38Å	1.40Å
C6	C5	doub	1.41Å	1.41Å	Aromatic
C6	N1	sing	1.33Å	1.36Å	Aromatic
C4	C5	sing	1.41Å	1.43Å	Aromatic
C4	C3	doub	1.36Å	1.37Å	Aromatic
O3	C2	doub	1.22Å	1.23Å
C5	C8	sing	1.41Å	1.42Å	Aromatic
N1	C7	doub	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.47Å	1.47Å
C3	N3	sing	1.39Å	1.39Å	Aromatic
C2	O1	sing	1.35Å	1.34Å
C8	N3	sing	1.37Å	1.38Å	Aromatic
C8	N2	doub	1.33Å	1.36Å	Aromatic
C7	N2	sing	1.32Å	1.34Å	Aromatic
O1	C1	sing	1.45Å	1.42Å
C11	H12	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C7	H4	sing	1.08Å	1.08Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
N3	H5	sing	0.97Å	1.00Å
N4	H6	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	107.0°	101.8°
C10	C9	N5	104.3°	105.4°
C9	C10	H9	110.1°	111.0°
C9	C10	H10	110.1°	111.0°
C10	C9	H7	110.8°	110.3°
C10	C9	H8	110.7°	110.3°
C10	C11	C12	103.4°	104.2°
C10	C11	H12	111.0°	110.5°
C10	C11	H11	111.0°	110.6°
C11	C10	H9	110.1°	111.0°
C11	C10	H10	110.1°	111.0°
C9	N5	C12	114.8°	111.3°
C9	N5	N4	120.5°	124.3°
N5	C9	H7	110.7°	110.2°
N5	C9	H8	110.7°	110.3°
C11	C12	N5	110.3°	110.1°
C11	C12	O2	123.2°	125.0°
C12	C11	H12	111.0°	110.5°
C12	C11	H11	111.0°	110.5°
C12	N5	N4	124.7°	124.4°
N5	C12	O2	126.5°	124.9°
N5	N4	C6	122.8°	120.0°
N5	N4	H6	106.1°	120.0°
BR1	C4	C5	123.5°	126.2°
BR1	C4	C3	127.3°	126.2°
N4	C6	C5	121.7°	120.8°
N4	C6	N1	119.8°	120.8°
C6	N4	H6	106.0°	120.1°
C5	C6	N1	118.5°	118.4°
C6	C5	C4	137.4°	134.5°
C6	C5	C8	115.9°	118.3°
C6	N1	C7	119.3°	121.1°
C5	C4	C3	109.2°	107.6°
C4	C5	C8	106.7°	107.2°
C4	C3	C2	133.8°	125.5°
C4	C3	N3	106.7°	108.9°
O3	C2	C3	123.0°	120.0°
O3	C2	O1	124.1°	120.0°
C5	C8	N3	106.2°	107.5°
C5	C8	N2	126.0°	118.7°
N1	C7	N2	128.9°	122.7°
N1	C7	H4	115.6°	118.6°
C2	C3	N3	119.5°	125.6°
C3	C2	O1	112.9°	120.0°
C3	N3	C8	111.2°	108.9°
C3	N3	H5	124.4°	125.5°
C2	O1	C1	119.3°	116.9°
N3	C8	N2	127.8°	133.9°
C8	N3	H5	124.4°	125.6°
C8	N2	C7	111.4°	120.8°
N2	C7	H4	115.5°	118.7°
O1	C1	H1	109.5°	109.5°
O1	C1	H2	109.5°	109.4°
O1	C1	H3	109.5°	109.5°
H12	C11	H11	109.5°	110.5°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H9	C10	H10	109.5°	110.8°
H7	C9	H8	109.5°	110.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H9	119.6°	118.1°
C9	C10	C11	H10	119.6°	118.1°
C10	C9	N5	H7	119.2°	119.0°
C10	C9	N5	H8	119.2°	119.0°
C9	C10	C11	C12	4.4°	24.8°
C10	C9	N5	C12	2.8°	17.0°
C10	C9	N5	N4	177.2°	163.0°
C9	C10	C11	H12	114.6°	93.9°
C9	C10	C11	H11	123.4°	143.5°
C9	C10	H9	H10	121.1°	123.8°
C10	C9	H7	H8	122.4°	122.0°
C11	C10	C9	N5	4.4°	25.4°
C10	C11	C12	H12	119.0°	118.7°
C10	C11	C12	H11	119.0°	118.8°
C10	C11	C12	N5	2.9°	16.3°
C10	C11	C12	O2	177.2°	163.7°
C10	C11	H12	H11	122.8°	122.7°
C11	C10	H9	H10	121.1°	123.8°
C11	C10	C9	H7	123.5°	93.6°
C11	C10	C9	H8	114.8°	144.4°
C9	N5	C12	C11	0.1°	0.4°
C9	N5	C12	N4	179.9°	180.0°
C9	N5	C12	O2	180.0°	179.6°
C9	N5	N4	C6	127.0°	105.0°
N5	C9	C10	H9	124.0°	143.6°
N5	C9	C10	H10	115.2°	92.8°
N5	C9	H7	H8	122.4°	122.0°
C9	N5	N4	H6	5.2°	75.0°
C11	C12	N5	O2	179.9°	180.0°
C11	C12	N5	N4	180.0°	179.6°
C12	C11	H12	H11	122.8°	122.6°
C12	C11	C10	H9	124.0°	142.9°
C12	C11	C10	H10	115.3°	93.3°
C12	N5	N4	C6	52.9°	75.0°
N5	C12	C11	H12	116.2°	102.4°
N5	C12	C11	H11	121.9°	135.1°
C12	N5	C9	H7	121.9°	102.0°
C12	N5	C9	H8	116.4°	136.0°
C12	N5	N4	H6	174.7°	105.0°
N4	N5	C12	O2	0.1°	0.4°
N5	N4	C6	H6	121.8°	180.0°
N5	N4	C6	C5	156.7°	179.9°
N5	N4	C6	N1	23.2°	0.0°
N4	N5	C9	H7	58.0°	78.0°
N4	N5	C9	H8	63.7°	43.9°
O2	C12	C11	H12	63.8°	77.6°
O2	C12	C11	H11	58.2°	45.0°
BR1	C4	C5	C6	0.2°	0.0°
BR1	C4	C5	C3	179.8°	180.0°
BR1	C4	C5	C8	179.9°	179.9°
BR1	C4	C3	C2	0.7°	0.1°
BR1	C4	C3	N3	179.9°	179.8°
N4	C6	C5	N1	179.9°	179.9°
N4	C6	C5	C4	0.1°	0.1°
N4	C6	C5	C8	179.9°	180.0°
N4	C6	N1	C7	179.9°	180.0°
C6	C5	C4	C8	179.9°	179.9°
C6	C5	C4	C3	180.0°	179.9°
C5	C6	N1	C7	0.0°	0.1°
C6	C5	C8	N3	180.0°	179.8°
C6	C5	C8	N2	0.0°	0.1°
C5	C6	N4	H6	81.5°	0.1°
N1	C6	C5	C4	180.0°	180.0°
N1	C6	C5	C8	0.0°	0.1°
C6	N1	C7	N2	0.1°	0.0°
C6	N1	C7	H4	179.9°	179.9°
N1	C6	N4	H6	98.6°	180.0°
C5	C4	C3	C2	179.5°	180.0°
C5	C4	C3	N3	0.1°	0.3°
C4	C5	C8	N3	0.0°	0.3°
C4	C5	C8	N2	180.0°	180.0°
C4	C3	C2	O3	5.0°	0.3°
C3	C4	C5	C8	0.1°	0.0°
C4	C3	C2	N3	179.4°	179.7°
C4	C3	C2	O1	173.7°	179.7°
C4	C3	N3	C8	0.1°	0.5°
C4	C3	N3	H5	180.0°	179.7°
O3	C2	C3	O1	178.7°	180.0°
O3	C2	C3	N3	175.6°	179.9°
O3	C2	O1	C1	5.0°	0.0°
C5	C8	N3	C3	0.0°	0.5°
C5	C8	N3	N2	180.0°	179.6°
C5	C8	N2	C7	0.0°	0.0°
C5	C8	N3	H5	180.0°	179.7°
N1	C7	N2	C8	0.1°	0.0°
N1	C7	N2	H4	180.0°	179.9°
C2	C3	N3	C8	179.6°	179.8°
C3	C2	O1	C1	173.7°	180.0°
C2	C3	N3	H5	0.4°	0.0°
N3	C3	C2	O1	5.7°	0.0°
C3	N3	C8	H5	180.0°	179.8°
C3	N3	C8	N2	180.0°	179.9°
C2	O1	C1	H1	180.0°	60.0°
C2	O1	C1	H2	60.0°	60.0°
C2	O1	C1	H3	60.0°	180.0°
N3	C8	N2	C7	180.0°	179.6°
C8	N2	C7	H4	179.9°	180.0°
N2	C8	N3	H5	0.0°	0.1°
O1	C1	H1	H2	120.0°	120.0°
O1	C1	H1	H3	120.0°	120.0°
O1	C1	H2	H3	120.0°	120.0°
H12	C11	C10	H9	5.0°	24.3°
H12	C11	C10	H10	125.7°	148.0°
H11	C11	C10	H9	117.0°	98.3°
H11	C11	C10	H10	3.8°	25.4°
H1	C1	H2	H3	120.0°	120.0°
H9	C10	C9	H7	116.8°	24.6°
H9	C10	C9	H8	4.8°	97.4°
H10	C10	C9	H7	3.9°	148.3°
H10	C10	C9	H8	125.6°	26.3°

Release date:	2026-11-04
Definition date:	2026-09-04
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15AV