A1PRL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C13	doub	1.38Å	1.41Å	Aromatic
C12	C11	sing	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.38Å	1.41Å	Aromatic
C11	C10	doub	1.38Å	1.41Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C1	C2	sing	1.53Å	1.54Å
C10	C15	sing	1.38Å	1.41Å	Aromatic
C10	C2	sing	1.51Å	1.53Å
C2	C3	sing	1.53Å	1.56Å
C2	O1	sing	1.43Å	1.42Å
C3	N1	sing	1.47Å	1.46Å
N1	C4	sing	1.38Å	1.40Å
C4	C9	doub	1.40Å	1.42Å	Aromatic
C4	N2	sing	1.33Å	1.36Å	Aromatic
C8	C9	sing	1.46Å	1.44Å	Aromatic
C8	C7	doub	1.34Å	1.37Å	Aromatic
C9	C6	sing	1.41Å	1.42Å	Aromatic
N2	C5	doub	1.32Å	1.34Å	Aromatic
C7	N4	sing	1.37Å	1.38Å	Aromatic
C5	N3	sing	1.32Å	1.33Å	Aromatic
C6	N4	sing	1.37Å	1.37Å	Aromatic
C6	N3	doub	1.33Å	1.36Å	Aromatic
C13	H14	sing	1.08Å	1.08Å
C15	H16	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C14	H15	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
N1	H7	sing	0.97Å	1.00Å
N4	H9	sing	0.97Å	1.00Å
O1	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	C11	119.8°	120.0°
C12	C13	C14	120.1°	120.0°
C12	C13	H14	120.0°	119.9°
C13	C12	H13	120.1°	120.0°
C12	C11	C10	120.5°	120.0°
C12	C11	H12	119.8°	120.0°
C11	C12	H13	120.1°	120.0°
C13	C14	C15	120.1°	120.0°
C14	C13	H14	120.0°	120.1°
C13	C14	H15	119.9°	120.0°
C11	C10	C15	119.2°	120.0°
C11	C10	C2	122.4°	120.0°
C10	C11	H12	119.8°	120.0°
C14	C15	C10	120.4°	120.0°
C14	C15	H16	119.8°	120.0°
C15	C14	H15	119.9°	120.0°
C1	C2	C10	108.6°	109.5°
C1	C2	C3	109.1°	109.5°
C1	C2	O1	104.6°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.4°	109.5°
C15	C10	C2	118.4°	120.0°
C10	C15	H16	119.8°	120.0°
C10	C2	C3	114.7°	109.5°
C10	C2	O1	111.7°	109.5°
C3	C2	O1	107.7°	109.4°
C2	C3	N1	116.6°	109.5°
C2	C3	H6	107.7°	109.4°
C2	C3	H5	107.7°	109.5°
C2	O1	H4	109.5°	114.0°
C3	N1	C4	120.6°	120.0°
N1	C3	H6	107.6°	109.4°
N1	C3	H5	107.7°	109.5°
C3	N1	H7	106.6°	120.0°
N1	C4	C9	123.1°	120.8°
N1	C4	N2	118.0°	120.9°
C4	N1	H7	106.6°	120.0°
C9	C4	N2	118.9°	118.3°
C4	C9	C8	137.3°	135.2°
C4	C9	C6	114.9°	118.6°
C4	N2	C5	119.6°	121.0°
C9	C8	C7	106.6°	106.8°
C8	C9	C6	107.8°	106.2°
C9	C8	H11	126.7°	126.6°
C8	C7	N4	109.1°	109.8°
C8	C7	H10	125.5°	125.1°
C7	C8	H11	126.7°	126.6°
C9	C6	N4	106.4°	107.1°
C9	C6	N3	126.7°	118.6°
N2	C5	N3	128.2°	122.7°
N2	C5	H8	115.9°	118.6°
C7	N4	C6	110.2°	110.0°
N4	C7	H10	125.5°	125.1°
C7	N4	H9	124.9°	125.0°
C5	N3	C6	111.7°	120.7°
N3	C5	H8	115.9°	118.6°
N4	C6	N3	126.9°	134.3°
C6	N4	H9	124.9°	125.0°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.5°
H6	C3	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C11	H13	180.0°	179.9°
C12	C13	C14	H14	180.0°	179.7°
C13	C12	C11	C10	0.8°	0.6°
C12	C13	C14	C15	0.1°	0.3°
C13	C12	C11	H12	179.2°	179.6°
C12	C13	C14	H15	179.9°	179.7°
C11	C12	C13	C14	0.3°	0.0°
C12	C11	C10	H12	180.0°	179.0°
C12	C11	C10	C15	0.8°	0.9°
C12	C11	C10	C2	179.9°	179.1°
C11	C12	C13	H14	179.7°	179.7°
C13	C14	C15	H15	180.0°	180.0°
C13	C14	C15	C10	0.1°	0.0°
C13	C14	C15	H16	179.9°	180.0°
C14	C13	C12	H13	179.7°	180.0°
C11	C10	C15	C14	0.3°	0.6°
C11	C10	C2	C1	100.1°	90.0°
C11	C10	C15	C2	179.2°	179.9°
C11	C10	C2	C3	22.2°	150.0°
C11	C10	C2	O1	145.1°	30.0°
C11	C10	C15	H16	179.7°	179.4°
C10	C11	C12	H13	179.3°	179.4°
C14	C15	C10	H16	180.0°	180.0°
C14	C15	C10	C2	179.5°	179.4°
C15	C14	C13	H14	179.9°	180.0°
C1	C2	C10	C15	79.1°	90.0°
C1	C2	C10	C3	122.3°	120.1°
C1	C2	C10	O1	114.8°	120.0°
C1	C2	C3	O1	113.0°	120.0°
C1	C2	C3	N1	171.0°	54.9°
C2	C1	H1	H2	120.0°	120.1°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	119.9°	120.0°
C1	C2	C3	H6	68.0°	65.0°
C1	C2	C3	H5	50.0°	174.9°
C1	C2	O1	H4	180.0°	180.0°
C15	C10	C2	C3	158.6°	30.1°
C15	C10	C2	O1	35.8°	150.0°
C15	C10	C11	H12	179.2°	180.0°
C10	C15	C14	H15	179.9°	180.0°
C10	C2	C3	O1	125.0°	120.0°
C10	C2	C3	N1	49.0°	175.0°
C2	C10	C15	H16	0.5°	0.6°
C2	C10	C11	H12	0.1°	0.1°
C10	C2	C1	H1	180.0°	60.0°
C10	C2	C1	H2	60.0°	180.0°
C10	C2	C1	H3	60.0°	60.0°
C10	C2	C3	H6	170.0°	55.1°
C10	C2	C3	H5	72.0°	65.0°
C10	C2	O1	H4	62.7°	60.0°
C2	C3	N1	H6	121.0°	119.9°
C2	C3	N1	H5	121.0°	120.1°
C2	C3	N1	C4	83.9°	180.0°
C3	C2	C1	H1	54.4°	60.1°
C3	C2	C1	H2	174.4°	60.0°
C3	C2	C1	H3	65.6°	180.0°
C2	C3	H6	H5	116.8°	120.1°
C2	C3	N1	H7	154.5°	0.1°
C3	C2	O1	H4	64.0°	60.0°
O1	C2	C3	N1	76.0°	65.1°
O1	C2	C1	H1	60.6°	180.0°
O1	C2	C1	H2	59.4°	60.0°
O1	C2	C1	H3	179.4°	60.0°
O1	C2	C3	H6	45.0°	175.0°
O1	C2	C3	H5	163.0°	55.0°
C3	N1	C4	H7	121.6°	179.9°
C3	N1	C4	C9	164.8°	180.0°
C3	N1	C4	N2	15.5°	0.2°
N1	C3	H6	H5	116.8°	120.0°
N1	C4	C9	N2	179.7°	179.8°
N1	C4	C9	C8	0.7°	0.3°
N1	C4	C9	C6	179.7°	179.8°
N1	C4	N2	C5	179.5°	179.8°
C4	N1	C3	H6	37.1°	60.1°
C4	N1	C3	H5	155.1°	59.9°
C4	C9	C8	C6	179.7°	179.9°
C4	C9	C8	C7	179.9°	180.0°
C9	C4	N2	C5	0.3°	0.0°
C4	C9	C6	N4	179.7°	180.0°
C4	C9	C6	N3	0.2°	0.1°
C4	C9	C8	H11	0.1°	0.1°
C9	C4	N1	H7	43.2°	0.0°
N2	C4	C9	C8	179.6°	179.9°
N2	C4	C9	C6	0.1°	0.0°
C4	N2	C5	N3	0.3°	0.0°
C4	N2	C5	H8	179.6°	179.9°
N2	C4	N1	H7	137.1°	179.8°
C9	C8	C7	H11	180.0°	180.0°
C9	C8	C7	N4	0.5°	0.0°
C8	C9	C6	N4	0.1°	0.1°
C8	C9	C6	N3	180.0°	180.0°
C9	C8	C7	H10	179.5°	179.9°
C7	C8	C9	C6	0.2°	0.1°
C8	C7	N4	H10	180.0°	179.9°
C8	C7	N4	C6	0.5°	0.1°
C8	C7	N4	H9	179.5°	179.9°
C9	C6	N4	C7	0.3°	0.1°
C9	C6	N3	C5	0.2°	0.1°
C9	C6	N4	N3	179.9°	179.9°
C6	C9	C8	H11	179.8°	180.0°
C9	C6	N4	H9	179.7°	180.0°
N2	C5	N3	H8	180.0°	180.0°
N2	C5	N3	C6	0.1°	0.0°
C7	N4	C6	H9	180.0°	179.9°
C7	N4	C6	N3	179.8°	180.0°
N4	C7	C8	H11	179.6°	180.0°
C5	N3	C6	N4	179.7°	180.0°
C6	N4	C7	H10	179.5°	180.0°
C6	N3	C5	H8	179.9°	180.0°
N3	C6	N4	H9	0.2°	0.1°
H14	C13	C12	H13	0.3°	0.3°
H14	C13	C14	H15	0.1°	0.0°
H16	C15	C14	H15	0.1°	0.0°
H12	C11	C12	H13	0.7°	0.3°
H1	C1	H2	H3	120.0°	119.9°
H6	C3	N1	H7	84.4°	120.0°
H5	C3	N1	H7	33.5°	120.0°
H10	C7	C8	H11	0.5°	0.0°
H10	C7	N4	H9	0.5°	0.1°

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