A1CYC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F2	C11	sing	1.40Å	1.33Å
F3	C11	sing	1.40Å	1.33Å
C11	C10	sing	1.51Å	1.48Å
C11	F1	sing	1.40Å	1.33Å
C9	C10	sing	1.40Å	1.40Å	Aromatic
C9	C8	doub	1.35Å	1.36Å	Aromatic
C10	N3	doub	1.31Å	1.33Å	Aromatic
C8	N2	sing	1.35Å	1.35Å	Aromatic
N3	N2	sing	1.40Å	1.37Å	Aromatic
N2	C7	sing	1.46Å	1.45Å
C7	C6	sing	1.51Å	1.53Å
C1	C2	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.52Å
C2	N1	sing	1.47Å	1.49Å
C6	N1	sing	1.35Å	1.35Å
C6	O2	doub	1.21Å	1.23Å
C3	O1	sing	1.43Å	1.43Å
N1	C5	sing	1.47Å	1.47Å
O1	C4	sing	1.43Å	1.43Å
C5	C4	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.08Å	1.08Å
C9	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F2	C11	F3	106.7°	109.5°
F2	C11	C10	112.2°	109.5°
F2	C11	F1	106.6°	109.5°
F3	C11	C10	111.8°	109.4°
F3	C11	F1	106.8°	109.4°
C10	C11	F1	112.3°	109.5°
C11	C10	C9	129.2°	125.9°
C11	C10	N3	120.2°	125.9°
C10	C9	C8	105.7°	107.9°
C9	C10	N3	110.6°	108.2°
C10	C9	H14	127.2°	126.0°
C9	C8	N2	107.2°	107.8°
C9	C8	H13	126.4°	126.1°
C8	C9	H14	127.1°	126.0°
C10	N3	N2	105.3°	108.2°
C8	N2	N3	111.1°	107.9°
C8	N2	C7	128.8°	126.0°
N2	C8	H13	126.4°	126.2°
N3	N2	C7	120.0°	126.1°
N2	C7	C6	112.2°	109.5°
N2	C7	H11	108.8°	109.5°
N2	C7	H12	108.8°	109.5°
C7	C6	N1	119.5°	120.1°
C7	C6	O2	119.3°	120.0°
C6	C7	H11	108.8°	109.5°
C6	C7	H12	108.8°	109.5°
C1	C2	C3	107.7°	109.7°
C1	C2	N1	112.4°	109.7°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.4°	109.5°
C1	C2	H4	109.2°	109.7°
C3	C2	N1	108.7°	108.3°
C2	C3	O1	109.6°	109.2°
C3	C2	H4	109.1°	109.7°
C2	C3	H5	109.5°	109.5°
C2	C3	H6	109.4°	109.5°
C2	N1	C6	122.5°	121.0°
C2	N1	C5	117.3°	118.0°
N1	C2	H4	109.7°	109.7°
N1	C6	O2	120.9°	120.0°
C6	N1	C5	119.9°	121.0°
C3	O1	C4	112.7°	114.2°
O1	C3	H5	109.4°	109.5°
O1	C3	H6	109.5°	109.6°
N1	C5	C4	112.2°	108.4°
N1	C5	H9	108.8°	109.7°
N1	C5	H10	108.8°	109.7°
O1	C4	C5	114.8°	109.2°
O1	C4	H7	108.1°	109.5°
O1	C4	H8	108.1°	109.5°
C5	C4	H7	108.1°	109.5°
C5	C4	H8	108.1°	109.6°
C4	C5	H9	108.8°	109.7°
C4	C5	H10	108.8°	109.6°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.4°
H5	C3	H6	109.5°	109.5°
H7	C4	H8	109.5°	109.5°
H9	C5	H10	109.4°	109.7°
H11	C7	H12	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F2	C11	F3	C10	123.0°	120.0°
F2	C11	F3	F1	113.7°	120.0°
F2	C11	C10	F1	120.1°	120.1°
F2	C11	C10	C9	136.2°	150.0°
F2	C11	C10	N3	45.3°	30.4°
F3	C11	C10	F1	120.1°	120.0°
F3	C11	C10	C9	16.3°	30.0°
F3	C11	C10	N3	165.2°	150.4°
C11	C10	C9	N3	178.6°	179.7°
C11	C10	C9	C8	179.0°	180.0°
C11	C10	N3	N2	177.8°	179.8°
C11	C10	C9	H14	1.0°	0.3°
F1	C11	C10	C9	103.7°	89.9°
F1	C11	C10	N3	74.7°	89.7°
C10	C9	C8	H14	180.0°	179.7°
C10	C9	C8	N2	1.6°	0.0°
C9	C10	N3	N2	0.9°	0.5°
C10	C9	C8	H13	178.4°	180.0°
C8	C9	C10	N3	0.4°	0.3°
C9	C8	N2	H13	180.0°	180.0°
C9	C8	N2	N3	2.3°	0.3°
C9	C8	N2	C7	178.2°	180.0°
C10	N3	N2	C8	2.0°	0.5°
C10	N3	N2	C7	178.3°	179.8°
N3	C10	C9	H14	179.6°	180.0°
C8	N2	N3	C7	176.3°	179.7°
C8	N2	C7	C6	77.9°	125.0°
C8	N2	C7	H11	42.5°	5.0°
C8	N2	C7	H12	161.7°	115.0°
N2	C8	C9	H14	178.4°	179.7°
N3	N2	C7	C6	106.6°	55.3°
N3	N2	C7	H11	133.0°	175.3°
N3	N2	C7	H12	13.8°	64.7°
N3	N2	C8	H13	177.7°	179.8°
N2	C7	C6	H11	120.4°	120.0°
N2	C7	C6	H12	120.4°	120.0°
N2	C7	C6	N1	165.6°	180.0°
N2	C7	C6	O2	9.3°	0.0°
N2	C7	H11	H12	118.7°	120.0°
C7	N2	C8	H13	1.8°	0.0°
C7	C6	N1	C2	1.3°	174.5°
C7	C6	N1	O2	174.8°	179.9°
C7	C6	N1	C5	172.6°	5.6°
C6	C7	H11	H12	118.7°	120.0°
C1	C2	C3	N1	122.0°	119.7°
C1	C2	C3	H4	118.4°	120.6°
C1	C2	N1	H4	121.6°	120.6°
C1	C2	N1	C6	68.1°	9.8°
C1	C2	C3	O1	66.7°	172.0°
C1	C2	N1	C5	117.8°	170.3°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H5	173.2°	68.0°
C1	C2	C3	H6	53.3°	52.1°
C3	C2	N1	H4	119.3°	119.7°
C3	C2	N1	C6	172.8°	129.5°
C2	C3	O1	H5	120.1°	119.9°
C2	C3	O1	H6	120.0°	119.9°
C3	C2	N1	C5	1.3°	50.6°
C2	C3	O1	C4	65.2°	62.6°
C3	C2	C1	H1	180.0°	52.0°
C3	C2	C1	H2	60.0°	172.1°
C3	C2	C1	H3	60.0°	68.0°
C2	C3	H5	H6	119.9°	120.1°
C2	N1	C6	C5	173.9°	180.0°
C2	N1	C6	O2	176.1°	5.5°
N1	C2	C3	O1	55.3°	52.3°
C2	N1	C5	C4	42.6°	50.6°
N1	C2	C1	H1	60.3°	170.9°
N1	C2	C1	H2	59.7°	69.1°
N1	C2	C1	H3	179.7°	50.9°
N1	C2	C3	H5	64.8°	172.2°
N1	C2	C3	H6	175.3°	67.7°
C2	N1	C5	H9	163.0°	69.2°
C2	N1	C5	H10	77.8°	170.3°
C6	N1	C5	C4	143.2°	129.5°
C6	N1	C2	H4	53.5°	110.8°
C6	N1	C5	H9	22.7°	110.8°
C6	N1	C5	H10	96.4°	9.8°
N1	C6	C7	H11	45.1°	60.0°
N1	C6	C7	H12	74.0°	59.9°
O2	C6	N1	C5	2.2°	174.5°
O2	C6	C7	H11	129.7°	120.0°
O2	C6	C7	H12	111.1°	120.0°
C3	O1	C4	C5	18.1°	62.6°
O1	C3	C2	H4	174.9°	67.4°
O1	C3	H5	H6	119.9°	120.2°
C3	O1	C4	H7	102.6°	177.5°
C3	O1	C4	H8	138.9°	57.4°
N1	C5	C4	O1	34.7°	52.3°
N1	C5	C4	H9	120.4°	119.8°
N1	C5	C4	H10	120.4°	119.7°
C5	N1	C2	H4	120.6°	69.1°
N1	C5	C4	H7	155.5°	172.3°
N1	C5	C4	H8	86.1°	67.6°
N1	C5	H9	H10	118.8°	120.6°
O1	C4	C5	H7	120.8°	119.9°
O1	C4	C5	H8	120.8°	120.0°
C4	O1	C3	H5	54.9°	177.5°
C4	O1	C3	H6	174.8°	57.3°
O1	C4	H7	H8	117.6°	120.1°
O1	C4	C5	H9	155.1°	67.4°
O1	C4	C5	H10	85.7°	172.0°
C5	C4	H7	H8	117.6°	120.2°
C4	C5	H9	H10	118.7°	120.5°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	61.6°	68.5°
H2	C1	C2	H4	178.4°	51.5°
H3	C1	C2	H4	58.4°	171.5°
H4	C2	C3	H5	54.8°	52.5°
H4	C2	C3	H6	65.1°	172.6°
H7	C4	C5	H9	84.1°	52.5°
H7	C4	C5	H10	35.0°	68.0°
H8	C4	C5	H9	34.3°	172.6°
H8	C4	C5	H10	153.5°	52.1°
H13	C8	C9	H14	1.6°	0.3°

Release date:	2025-12-10
Definition date:	2025-10-10
Last modified:	2025-12-05
Release status:	REL
Processing site:	RCSB
Derived from:	13SP