A1BKA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C1	sing	1.35Å	1.36Å
C1	C2	doub	1.38Å	1.37Å	Aromatic
C1	C6	sing	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.35Å	Aromatic
O1	C6	sing	1.36Å	1.41Å
O1	C7	sing	1.43Å	1.41Å
C6	C5	doub	1.38Å	1.41Å	Aromatic
C3	C4	doub	1.38Å	1.41Å	Aromatic
C5	C4	sing	1.38Å	1.42Å	Aromatic
C5	C15	sing	1.52Å	1.54Å
C7	C8	sing	1.52Å	1.56Å
C15	N1	sing	1.47Å	1.47Å
C8	N1	sing	1.46Å	1.44Å
N1	C9	sing	1.38Å	1.47Å
C9	N2	doub	1.33Å	1.35Å	Aromatic
C9	C12	sing	1.40Å	1.46Å	Aromatic
N2	C10	sing	1.32Å	1.38Å	Aromatic
C13	C12	sing	1.46Å	1.48Å	Aromatic
C13	C14	doub	1.34Å	1.39Å	Aromatic
C12	C11	doub	1.41Å	1.44Å	Aromatic
C10	N3	doub	1.32Å	1.33Å	Aromatic
C14	N4	sing	1.37Å	1.37Å	Aromatic
C11	N3	sing	1.33Å	1.37Å	Aromatic
C11	N4	sing	1.37Å	1.37Å	Aromatic
C3	H2	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C15	H13	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C2	H1	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
N4	H11	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C1	C2	114.6°	120.2°
F1	C1	C6	120.3°	120.2°
C2	C1	C6	125.1°	119.6°
C1	C2	C3	117.6°	120.2°
C1	C2	H1	121.2°	119.9°
C1	C6	O1	115.7°	120.2°
C1	C6	C5	118.5°	120.0°
C2	C3	C4	120.3°	120.1°
C2	C3	H2	119.9°	119.9°
C3	C2	H1	121.2°	119.9°
C6	O1	C7	121.0°	115.3°
O1	C6	C5	125.7°	119.8°
O1	C7	C8	112.4°	110.1°
O1	C7	H5	108.8°	110.3°
O1	C7	H4	108.7°	108.8°
C6	C5	C4	115.8°	120.4°
C6	C5	C15	116.4°	119.5°
C3	C4	C5	122.7°	119.8°
C4	C3	H2	119.8°	119.9°
C3	C4	H3	118.7°	120.2°
C4	C5	C15	127.8°	120.1°
C5	C4	H3	118.6°	120.1°
C5	C15	N1	119.7°	108.7°
C5	C15	H13	106.9°	109.6°
C5	C15	H12	106.8°	109.6°
C7	C8	N1	112.7°	113.2°
C8	C7	H5	108.7°	109.2°
C8	C7	H4	108.8°	109.2°
C7	C8	H6	108.7°	108.6°
C7	C8	H7	108.6°	108.6°
C15	N1	C8	119.0°	112.5°
C15	N1	C9	119.7°	110.9°
N1	C15	H13	106.9°	109.6°
N1	C15	H12	106.9°	109.6°
C8	N1	C9	117.8°	111.0°
N1	C8	H6	108.7°	108.9°
N1	C8	H7	108.7°	108.8°
N1	C9	N2	118.0°	120.9°
N1	C9	C12	124.2°	120.8°
N2	C9	C12	117.8°	118.3°
C9	N2	C10	121.6°	121.0°
C9	C12	C13	141.9°	135.1°
C9	C12	C11	114.4°	118.6°
N2	C10	N3	125.8°	122.7°
N2	C10	H8	117.1°	118.6°
C12	C13	C14	109.1°	106.8°
C13	C12	C11	103.7°	106.2°
C12	C13	H9	125.5°	126.6°
C13	C14	N4	106.9°	109.8°
C13	C14	H10	126.6°	125.1°
C14	C13	H9	125.5°	126.6°
C12	C11	N3	126.8°	118.6°
C12	C11	N4	108.2°	107.1°
C10	N3	C11	113.6°	120.7°
N3	C10	H8	117.1°	118.7°
C14	N4	C11	112.0°	110.0°
N4	C14	H10	126.5°	125.1°
C14	N4	H11	124.0°	125.0°
N3	C11	N4	125.0°	134.3°
C11	N4	H11	124.0°	124.9°
H13	C15	H12	109.5°	109.7°
H5	C7	H4	109.5°	109.2°
H6	C8	H7	109.5°	108.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C1	C2	C6	179.5°	179.5°
F1	C1	C2	C3	179.8°	180.0°
F1	C1	C6	O1	1.4°	2.3°
F1	C1	C6	C5	178.8°	179.4°
F1	C1	C2	H1	0.3°	0.0°
C1	C2	C3	H1	180.0°	180.0°
C2	C1	C6	O1	179.1°	178.2°
C2	C1	C6	C5	1.7°	0.0°
C1	C2	C3	C4	0.1°	0.4°
C1	C2	C3	H2	179.9°	179.3°
C6	C1	C2	C3	0.7°	0.5°
C1	C6	O1	C5	177.2°	178.3°
C1	C6	O1	C7	120.6°	110.1°
C1	C6	C5	C4	1.9°	0.7°
C1	C6	C5	C15	179.9°	177.6°
C6	C1	C2	H1	179.3°	179.5°
C2	C3	C4	H2	180.0°	179.7°
C2	C3	C4	C5	0.5°	0.3°
C2	C3	C4	H3	179.5°	179.7°
O1	C6	C5	C4	179.0°	177.6°
O1	C6	C5	C15	2.9°	4.1°
C6	O1	C7	C8	79.1°	86.4°
C6	O1	C7	H5	41.4°	34.2°
C6	O1	C7	H4	160.5°	154.0°
C7	O1	C6	C5	62.2°	68.2°
O1	C7	C8	H5	120.5°	121.3°
O1	C7	C8	H4	120.4°	119.4°
O1	C7	C8	N1	64.4°	66.3°
O1	C7	H5	H4	118.7°	119.5°
O1	C7	C8	H6	175.1°	54.8°
O1	C7	C8	H7	56.1°	172.7°
C6	C5	C4	C3	1.4°	0.9°
C6	C5	C4	C15	177.8°	178.3°
C6	C5	C15	N1	50.8°	68.8°
C6	C5	C15	H13	70.6°	171.4°
C6	C5	C15	H12	172.2°	50.9°
C6	C5	C4	H3	178.6°	179.2°
C3	C4	C5	H3	180.0°	179.9°
C3	C4	C5	C15	179.2°	177.5°
C4	C3	C2	H1	179.9°	179.7°
C4	C5	C15	N1	127.0°	112.9°
C5	C4	C3	H2	179.5°	180.0°
C4	C5	C15	H13	111.6°	7.0°
C4	C5	C15	H12	5.5°	127.4°
C5	C15	N1	H13	121.5°	119.8°
C5	C15	N1	H12	121.4°	119.7°
C5	C15	N1	C8	74.2°	84.2°
C5	C15	N1	C9	84.2°	150.8°
C5	C15	H13	H12	115.4°	120.4°
C15	C5	C4	H3	0.8°	2.4°
C7	C8	N1	C15	65.1°	69.3°
C7	C8	N1	H6	120.5°	120.9°
C7	C8	N1	H7	120.5°	120.9°
C7	C8	N1	C9	93.6°	165.7°
C8	C7	H5	H4	118.7°	119.4°
C7	C8	H6	H7	118.5°	117.9°
C15	N1	C8	C9	158.8°	125.0°
C15	N1	C9	N2	26.9°	0.1°
C15	N1	C9	C12	154.8°	180.0°
N1	C15	H13	H12	115.4°	120.4°
C15	N1	C8	H6	174.4°	51.6°
C15	N1	C8	H7	55.3°	169.8°
C8	N1	C9	N2	174.5°	126.0°
C8	N1	C9	C12	3.8°	54.1°
C8	N1	C15	H13	47.3°	156.0°
C8	N1	C15	H12	164.4°	35.5°
N1	C8	C7	H5	56.0°	55.0°
N1	C8	C7	H4	175.1°	174.4°
N1	C8	H6	H7	118.6°	118.3°
N1	C9	N2	C12	178.4°	179.9°
N1	C9	N2	C10	178.1°	180.0°
N1	C9	C12	C13	2.0°	0.0°
N1	C9	C12	C11	178.1°	180.0°
C9	N1	C15	H13	154.4°	31.0°
C9	N1	C15	H12	37.3°	89.5°
C9	N1	C8	H6	26.9°	73.4°
C9	N1	C8	H7	145.9°	44.8°
N2	C9	C12	C13	179.7°	180.0°
N2	C9	C12	C11	0.2°	0.0°
C9	N2	C10	N3	0.1°	0.1°
C9	N2	C10	H8	179.9°	179.9°
C12	C9	N2	C10	0.3°	0.1°
C9	C12	C13	C11	179.9°	180.0°
C9	C12	C13	C14	179.4°	180.0°
C9	C12	C11	N3	0.1°	0.0°
C9	C12	C11	N4	180.0°	179.9°
C9	C12	C13	H9	0.6°	0.0°
N2	C10	N3	H8	180.0°	179.9°
N2	C10	N3	C11	0.3°	0.1°
C12	C13	C14	H9	180.0°	179.9°
C12	C13	C14	N4	0.9°	0.0°
C13	C12	C11	N3	179.9°	180.0°
C13	C12	C11	N4	0.0°	0.0°
C12	C13	C14	H10	179.1°	179.9°
C14	C13	C12	C11	0.5°	0.0°
C13	C14	N4	H10	180.0°	179.9°
C13	C14	N4	C11	1.0°	0.0°
C13	C14	N4	H11	179.0°	180.0°
C12	C11	N3	C10	0.4°	0.0°
C12	C11	N4	C14	0.6°	0.1°
C12	C11	N3	N4	179.9°	180.0°
C11	C12	C13	H9	179.5°	180.0°
C12	C11	N4	H11	179.3°	180.0°
C10	N3	C11	N4	179.8°	179.9°
C14	N4	C11	N3	179.5°	180.0°
C14	N4	C11	H11	180.0°	179.9°
N4	C14	C13	H9	179.1°	179.9°
C11	N3	C10	H8	179.8°	180.0°
N3	C11	N4	H11	0.6°	0.1°
C11	N4	C14	H10	179.0°	180.0°
H2	C3	C2	H1	0.1°	0.6°
H2	C3	C4	H3	0.5°	0.1°
H10	C14	C13	H9	0.9°	0.0°
H10	C14	N4	H11	1.0°	0.1°
H5	C7	C8	H6	64.5°	176.1°
H5	C7	C8	H7	176.5°	66.0°
H4	C7	C8	H6	54.6°	64.6°
H4	C7	C8	H7	64.4°	53.3°

Release date:	2025-08-20
Definition date:	2024-12-09
Last modified:	2025-08-15
Release status:	REL
Processing site:	RCSB
Derived from:	7HPT