A1PQJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.53Å	1.51Å
C9	C10	sing	1.53Å	1.51Å
C8	C7	sing	1.53Å	1.51Å
C8	C10	sing	1.53Å	1.51Å
C7	N3	sing	1.47Å	1.46Å
C10	C11	sing	1.53Å	1.51Å
O2	C6	doub	1.22Å	1.23Å
C11	O3	sing	1.43Å	1.41Å
N3	C6	sing	1.35Å	1.34Å
C6	C5	sing	1.48Å	1.50Å
C5	C4	doub	1.40Å	1.41Å	Aromatic
C5	C12	sing	1.40Å	1.41Å	Aromatic
C4	C3	sing	1.38Å	1.41Å	Aromatic
C12	C13	doub	1.38Å	1.41Å	Aromatic
C3	C2	doub	1.39Å	1.41Å	Aromatic
C13	C2	sing	1.39Å	1.42Å	Aromatic
C2	N2	sing	1.39Å	1.42Å
O1	C1	doub	1.22Å	1.23Å
N2	C1	sing	1.35Å	1.34Å
C1	N1	sing	1.35Å	1.33Å
C13	H17	sing	1.08Å	1.08Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H16	sing	1.08Å	1.08Å
C10	H12	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
N2	H3	sing	0.97Å	1.00Å
N3	H6	sing	0.97Å	1.00Å
O3	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C9	C10	60.0°	60.0°
C9	C8	C7	121.3°	117.5°
C9	C8	C10	60.1°	60.0°
C9	C8	H9	114.6°	117.6°
C8	C9	H10	120.0°	117.5°
C8	C9	H11	120.0°	117.5°
C9	C10	C8	59.9°	60.0°
C9	C10	C11	120.3°	117.5°
C9	C10	H12	114.9°	117.5°
C10	C9	H10	120.0°	117.5°
C10	C9	H11	120.0°	117.5°
C7	C8	C10	120.9°	117.5°
C8	C7	N3	114.2°	109.5°
C8	C7	H7	108.3°	109.5°
C8	C7	H8	108.3°	109.5°
C7	C8	H9	114.6°	115.6°
C8	C10	C11	121.0°	117.5°
C8	C10	H12	114.9°	117.5°
C10	C8	H9	114.6°	117.5°
C7	N3	C6	124.1°	120.0°
N3	C7	H7	108.3°	109.5°
N3	C7	H8	108.3°	109.5°
C7	N3	H6	117.9°	120.0°
C10	C11	O3	109.7°	109.4°
C10	C11	H13	109.4°	109.4°
C10	C11	H14	109.4°	109.4°
C11	C10	H12	114.9°	115.6°
O2	C6	N3	123.0°	120.1°
O2	C6	C5	120.7°	120.0°
O3	C11	H13	109.4°	109.5°
O3	C11	H14	109.4°	109.5°
C11	O3	H15	109.5°	114.0°
N3	C6	C5	116.3°	120.0°
C6	N3	H6	117.9°	120.1°
C6	C5	C4	119.6°	120.1°
C6	C5	C12	121.3°	120.0°
C4	C5	C12	119.1°	119.9°
C5	C4	C3	120.5°	120.0°
C5	C4	H5	119.7°	120.1°
C5	C12	C13	120.4°	119.9°
C5	C12	H16	119.8°	120.1°
C4	C3	C2	120.7°	120.1°
C4	C3	H4	119.7°	120.0°
C3	C4	H5	119.8°	120.0°
C12	C13	C2	120.4°	120.1°
C12	C13	H17	119.8°	119.9°
C13	C12	H16	119.8°	120.1°
C3	C2	C13	119.0°	120.2°
C3	C2	N2	118.0°	120.0°
C2	C3	H4	119.7°	120.0°
C13	C2	N2	123.0°	119.9°
C2	C13	H17	119.8°	120.0°
C2	N2	C1	129.7°	120.0°
C2	N2	H3	115.2°	120.0°
O1	C1	N2	126.3°	120.0°
O1	C1	N1	122.3°	120.0°
N2	C1	N1	111.4°	120.0°
C1	N2	H3	115.2°	120.0°
C1	N1	H1	120.0°	120.0°
C1	N1	H2	120.0°	120.0°
H13	C11	H14	109.4°	109.5°
H7	C7	H8	109.5°	109.5°
H10	C9	H11	109.5°	115.6°
H1	N1	H2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C9	C10	H10	109.4°	107.4°
C8	C9	C10	H11	109.5°	107.5°
C9	C8	C7	C10	71.5°	68.6°
C9	C8	C7	H9	144.6°	145.8°
C9	C8	C10	H9	105.4°	107.6°
C9	C8	C7	N3	126.7°	116.4°
C8	C9	C10	C11	110.5°	107.5°
C8	C9	C10	H12	105.5°	107.5°
C9	C8	C7	H7	112.6°	3.6°
C9	C8	C7	H8	6.0°	123.6°
C8	C9	H10	H11	144.7°	145.7°
C9	C10	C11	H12	144.0°	145.7°
C9	C10	C11	O3	135.4°	116.2°
C9	C10	C11	H13	104.6°	3.7°
C9	C10	C11	H14	15.3°	123.8°
C10	C9	H10	H11	144.7°	145.7°
C7	C8	C10	H9	143.9°	145.0°
C8	C7	N3	H7	120.7°	120.0°
C8	C7	N3	H8	120.7°	120.0°
C7	C8	C10	C11	139.8°	145.0°
C8	C7	N3	C6	147.4°	180.0°
C7	C8	C10	H12	5.2°	0.0°
C8	C7	H7	H8	117.9°	120.0°
C7	C8	C9	H10	0.6°	145.0°
C7	C8	C9	H11	140.4°	0.0°
C8	C7	N3	H6	32.6°	0.0°
C10	C8	C7	N3	55.1°	175.0°
C8	C10	C11	H12	145.0°	145.7°
C8	C10	C11	O3	64.4°	175.1°
C8	C10	C11	H13	175.5°	64.9°
C8	C10	C11	H14	55.6°	55.1°
C10	C8	C7	H7	175.8°	65.0°
C10	C8	C7	H8	65.5°	55.0°
C7	N3	C6	O2	0.0°	0.0°
C7	N3	C6	H6	180.0°	180.0°
C7	N3	C6	C5	179.9°	180.0°
N3	C7	H7	H8	117.9°	120.0°
N3	C7	C8	H9	88.8°	29.3°
C10	C11	O3	H13	120.1°	119.9°
C10	C11	O3	H14	120.0°	120.0°
C10	C11	H13	H14	119.9°	120.0°
C11	C10	C8	H9	4.1°	0.0°
C11	C10	C9	H10	140.1°	0.0°
C11	C10	C9	H11	1.0°	145.1°
C10	C11	O3	H15	180.0°	180.0°
O2	C6	N3	C5	179.9°	180.0°
O2	C6	C5	C4	22.4°	0.1°
O2	C6	C5	C12	157.4°	179.2°
O2	C6	N3	H6	180.0°	180.0°
O3	C11	H13	H14	119.9°	120.1°
O3	C11	C10	H12	80.6°	29.4°
N3	C6	C5	C4	157.6°	179.9°
N3	C6	C5	C12	22.7°	0.8°
C6	N3	C7	H7	92.0°	60.0°
C6	N3	C7	H8	26.7°	60.0°
C6	C5	C4	C12	179.8°	179.2°
C6	C5	C4	C3	179.9°	180.0°
C6	C5	C12	C13	180.0°	179.7°
C6	C5	C12	H16	0.1°	0.3°
C6	C5	C4	H5	0.1°	0.6°
C5	C6	N3	H6	0.1°	0.0°
C5	C4	C3	H5	180.0°	179.4°
C4	C5	C12	C13	0.2°	0.6°
C5	C4	C3	C2	0.6°	0.6°
C4	C5	C12	H16	179.8°	179.5°
C5	C4	C3	H4	179.4°	179.4°
C12	C5	C4	C3	0.3°	0.9°
C5	C12	C13	H16	180.0°	180.0°
C5	C12	C13	C2	0.4°	0.0°
C5	C12	C13	H17	179.6°	179.7°
C12	C5	C4	H5	179.7°	179.8°
C4	C3	C2	H4	180.0°	179.9°
C4	C3	C2	C13	0.8°	0.1°
C4	C3	C2	N2	179.6°	180.0°
C12	C13	C2	C3	0.7°	0.2°
C12	C13	C2	H17	180.0°	179.7°
C12	C13	C2	N2	179.5°	179.7°
C3	C2	C13	N2	178.8°	179.9°
C3	C2	N2	C1	0.9°	144.9°
C3	C2	C13	H17	179.3°	179.9°
C2	C3	C4	H5	179.4°	180.0°
C3	C2	N2	H3	179.1°	35.0°
C13	C2	N2	C1	179.8°	35.2°
C2	C13	C12	H16	179.6°	180.0°
C13	C2	C3	H4	179.2°	180.0°
C13	C2	N2	H3	0.2°	144.9°
C2	N2	C1	O1	0.6°	4.7°
C2	N2	C1	H3	180.0°	179.9°
C2	N2	C1	N1	179.8°	175.4°
N2	C2	C13	H17	0.5°	0.0°
N2	C2	C3	H4	0.3°	0.1°
O1	C1	N2	N1	179.6°	179.9°
O1	C1	N1	H1	0.0°	180.0°
O1	C1	N1	H2	180.0°	0.0°
O1	C1	N2	H3	179.4°	175.4°
N2	C1	N1	H1	179.7°	0.0°
N2	C1	N1	H2	0.3°	179.9°
C1	N1	H1	H2	180.0°	180.0°
N1	C1	N2	H3	0.2°	4.5°
H17	C13	C12	H16	0.4°	0.3°
H13	C11	C10	H12	39.4°	149.4°
H13	C11	O3	H15	60.0°	60.0°
H14	C11	C10	H12	159.4°	90.6°
H14	C11	O3	H15	59.9°	60.1°
H12	C10	C8	H9	149.1°	145.0°
H12	C10	C9	H10	3.9°	145.0°
H12	C10	C9	H11	145.0°	0.0°
H4	C3	C4	H5	0.6°	0.1°
H7	C7	C8	H9	31.9°	149.3°
H7	C7	N3	H6	88.1°	120.0°
H8	C7	C8	H9	150.6°	90.6°
H8	C7	N3	H6	153.3°	120.0°
H9	C8	C9	H10	145.2°	0.0°
H9	C8	C9	H11	4.1°	145.0°

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