A1A7L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C14	sing	1.35Å	1.35Å
C15	C14	doub	1.38Å	1.41Å	Aromatic
C15	C16	sing	1.38Å	1.41Å	Aromatic
F2	C16	sing	1.35Å	1.36Å
C14	C13	sing	1.39Å	1.40Å	Aromatic
C16	C11	doub	1.39Å	1.42Å	Aromatic
C13	C12	doub	1.38Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C11	C3	sing	1.51Å	1.52Å
C3	C2	sing	1.53Å	1.55Å
C3	N1	sing	1.47Å	1.44Å
C2	C1	sing	1.51Å	1.54Å
O2	C4	doub	1.22Å	1.22Å
O1	C1	doub	1.21Å	1.26Å
C1	O3	sing	1.34Å	1.26Å
N1	C4	sing	1.35Å	1.32Å
C4	C5	sing	1.47Å	1.49Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	N4	sing	1.37Å	1.36Å	Aromatic
C6	C7	sing	1.40Å	1.41Å	Aromatic
N3	N4	sing	1.40Å	1.37Å	Aromatic
N3	C10	doub	1.31Å	1.31Å	Aromatic
N4	C9	sing	1.37Å	1.39Å	Aromatic
C7	C8	doub	1.36Å	1.37Å	Aromatic
C10	N2	sing	1.32Å	1.35Å	Aromatic
C9	C8	sing	1.41Å	1.42Å	Aromatic
C9	N2	doub	1.33Å	1.32Å	Aromatic
C3	H1	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C2	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
N1	H4	sing	0.97Å	1.00Å
O3	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C14	C15	119.9°	120.1°
F1	C14	C13	119.4°	120.0°
C14	C15	C16	119.4°	120.0°
C15	C14	C13	120.7°	119.9°
C14	C15	H11	120.3°	120.0°
C15	C16	F2	119.1°	120.0°
C15	C16	C11	120.0°	120.0°
C16	C15	H11	120.3°	120.1°
F2	C16	C11	121.0°	120.0°
C14	C13	C12	119.9°	120.0°
C14	C13	H10	120.0°	120.0°
C16	C11	C12	119.7°	120.1°
C16	C11	C3	120.7°	119.9°
C13	C12	C11	120.3°	120.0°
C13	C12	H9	119.9°	120.0°
C12	C13	H10	120.0°	120.0°
C12	C11	C3	119.6°	120.0°
C11	C12	H9	119.8°	120.0°
C11	C3	C2	116.7°	109.5°
C11	C3	N1	109.0°	109.5°
C11	C3	H1	107.6°	109.5°
C2	C3	N1	107.3°	109.5°
C3	C2	C1	113.0°	109.4°
C2	C3	H1	107.3°	109.4°
C3	C2	H3	108.6°	109.4°
C3	C2	H2	108.6°	109.5°
C3	N1	C4	122.7°	120.0°
N1	C3	H1	108.6°	109.5°
C3	N1	H4	118.7°	120.0°
C2	C1	O1	115.7°	120.0°
C2	C1	O3	117.8°	120.0°
C1	C2	H3	108.6°	109.5°
C1	C2	H2	108.6°	109.5°
O2	C4	N1	122.0°	120.0°
O2	C4	C5	120.5°	120.0°
O1	C1	O3	126.5°	120.0°
C1	O3	H12	109.5°	117.0°
N1	C4	C5	117.5°	120.0°
C4	N1	H4	118.7°	120.0°
C4	C5	C6	118.9°	119.9°
C4	C5	N4	122.3°	119.9°
C6	C5	N4	118.8°	120.1°
C5	C6	C7	121.1°	119.9°
C5	C6	H5	119.4°	120.0°
C5	N4	N3	129.4°	133.2°
C5	N4	C9	121.8°	120.5°
C6	C7	C8	119.9°	119.8°
C7	C6	H5	119.4°	120.0°
C6	C7	H6	120.0°	120.1°
N4	N3	C10	103.2°	107.0°
N3	N4	C9	108.7°	106.2°
N3	C10	N2	114.8°	109.6°
N3	C10	H8	122.6°	125.3°
N4	C9	C8	119.2°	119.9°
N4	C9	N2	107.8°	107.4°
C7	C8	C9	119.1°	119.7°
C8	C7	H6	120.0°	120.1°
C7	C8	H7	120.4°	120.2°
C10	N2	C9	105.4°	109.7°
N2	C10	H8	122.6°	125.1°
C8	C9	N2	132.9°	132.7°
C9	C8	H7	120.5°	120.1°
H3	C2	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C14	C15	C13	179.2°	180.0°
F1	C14	C15	C16	179.9°	179.7°
F1	C14	C13	C12	179.6°	180.0°
F1	C14	C13	H10	0.3°	0.1°
F1	C14	C15	H11	0.1°	0.1°
C14	C15	C16	H11	180.0°	179.6°
C14	C15	C16	F2	179.2°	179.9°
C14	C15	C16	C11	0.0°	0.3°
C15	C14	C13	C12	0.4°	0.0°
C15	C14	C13	H10	179.5°	180.0°
C15	C16	F2	C11	179.2°	179.8°
C16	C15	C14	C13	0.7°	0.3°
C15	C16	C11	C12	1.0°	0.0°
C15	C16	C11	C3	179.5°	180.0°
F2	C16	C11	C12	179.8°	179.8°
F2	C16	C11	C3	1.3°	0.2°
F2	C16	C15	H11	0.8°	0.3°
C14	C13	C12	H10	180.0°	180.0°
C14	C13	C12	C11	0.6°	0.3°
C14	C13	C12	H9	179.4°	180.0°
C13	C14	C15	H11	179.3°	180.0°
C16	C11	C12	C13	1.3°	0.3°
C16	C11	C12	C3	178.5°	180.0°
C16	C11	C3	C2	137.0°	85.0°
C16	C11	C3	N1	101.3°	155.1°
C16	C11	C3	H1	16.4°	35.0°
C16	C11	C12	H9	178.7°	180.0°
C11	C16	C15	H11	180.0°	179.9°
C13	C12	C11	H9	180.0°	179.7°
C13	C12	C11	C3	179.8°	179.7°
C12	C11	C3	C2	44.6°	95.0°
C12	C11	C3	N1	77.2°	25.0°
C12	C11	C3	H1	165.2°	145.0°
C11	C12	C13	H10	179.5°	179.7°
C11	C3	C2	N1	122.6°	120.0°
C11	C3	C2	H1	120.8°	120.0°
C11	C3	N1	H1	117.0°	120.1°
C11	C3	C2	C1	148.9°	65.6°
C11	C3	N1	C4	74.0°	159.0°
C3	C11	C12	H9	0.2°	0.0°
C11	C3	C2	H3	90.6°	174.4°
C11	C3	C2	H2	28.4°	54.3°
C11	C3	N1	H4	106.1°	21.0°
C2	C3	N1	H1	115.7°	119.9°
C3	C2	C1	H3	120.5°	120.0°
C3	C2	C1	H2	120.5°	120.0°
C3	C2	C1	O1	82.4°	7.6°
C3	C2	C1	O3	96.8°	172.4°
C2	C3	N1	C4	158.8°	81.0°
C3	C2	H3	H2	118.4°	120.0°
C2	C3	N1	H4	21.2°	99.0°
N1	C3	C2	C1	26.2°	54.4°
C3	N1	C4	O2	0.6°	5.0°
C3	N1	C4	H4	180.0°	179.9°
C3	N1	C4	C5	178.3°	175.0°
N1	C3	C2	H3	146.8°	65.6°
N1	C3	C2	H2	94.3°	174.3°
C2	C1	O1	O3	179.2°	180.0°
C1	C2	C3	H1	90.4°	174.3°
C1	C2	H3	H2	118.4°	120.0°
C2	C1	O3	H12	179.1°	180.0°
O2	C4	N1	C5	177.7°	180.0°
O2	C4	C5	C6	12.6°	0.0°
O2	C4	C5	N4	168.2°	180.0°
O2	C4	N1	H4	179.4°	174.9°
O1	C1	C2	H3	38.1°	112.4°
O1	C1	C2	H2	157.0°	127.6°
O1	C1	O3	H12	0.0°	0.0°
O3	C1	C2	H3	142.7°	67.6°
O3	C1	C2	H2	23.7°	52.4°
N1	C4	C5	C6	165.1°	180.0°
N1	C4	C5	N4	14.0°	0.0°
C4	N1	C3	H1	43.0°	38.9°
C4	C5	C6	N4	179.2°	180.0°
C4	C5	C6	C7	179.1°	180.0°
C4	C5	N4	N3	1.3°	0.0°
C4	C5	N4	C9	178.9°	180.0°
C4	C5	C6	H5	0.9°	0.1°
C5	C4	N1	H4	1.7°	5.1°
C5	C6	C7	H5	180.0°	179.9°
C6	C5	N4	N3	179.5°	180.0°
C6	C5	N4	C9	0.2°	0.0°
C5	C6	C7	C8	0.1°	0.0°
C5	C6	C7	H6	179.9°	180.0°
N4	C5	C6	C7	0.1°	0.0°
C5	N4	N3	C9	179.8°	180.0°
C5	N4	N3	C10	179.7°	180.0°
C5	N4	C9	C8	0.4°	0.0°
C5	N4	C9	N2	179.9°	180.0°
N4	C5	C6	H5	179.9°	180.0°
C6	C7	C8	H6	180.0°	180.0°
C6	C7	C8	C9	0.3°	0.0°
C6	C7	C8	H7	179.7°	180.0°
N4	N3	C10	N2	0.6°	0.0°
N3	N4	C9	C8	179.4°	180.0°
N3	N4	C9	N2	0.3°	0.0°
N4	N3	C10	H8	179.4°	180.0°
C10	N3	N4	C9	0.6°	0.1°
N3	C10	N2	H8	180.0°	180.0°
N3	C10	N2	C9	0.4°	0.0°
N4	C9	C8	C7	0.4°	0.0°
N4	C9	N2	C10	0.0°	0.0°
N4	C9	C8	N2	179.7°	180.0°
N4	C9	C8	H7	179.5°	180.0°
C7	C8	C9	H7	180.0°	180.0°
C7	C8	C9	N2	179.9°	180.0°
C8	C7	C6	H5	179.9°	180.0°
C10	N2	C9	C8	179.7°	180.0°
C9	C8	C7	H6	179.7°	180.0°
C9	N2	C10	H8	179.6°	180.0°
N2	C9	C8	H7	0.1°	0.0°
H1	C3	C2	H3	30.2°	54.3°
H1	C3	C2	H2	149.1°	65.7°
H1	C3	N1	H4	136.9°	141.1°
H5	C6	C7	H6	0.1°	0.0°
H9	C12	C13	H10	0.5°	0.0°
H6	C7	C8	H7	0.3°	0.0°

Release date:	2025-08-20
Definition date:	2024-09-17
Last modified:	2025-08-15
Release status:	REL
Processing site:	RCSB
Derived from:	7HHV