A1DXC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.54Å
F2	C1	sing	1.40Å	1.36Å
C4	C5	sing	1.53Å	1.54Å
C2	O1	sing	1.43Å	1.42Å
C2	C12	sing	1.53Å	1.53Å
O1	C1	sing	1.43Å	1.36Å
C1	F1	sing	1.40Å	1.35Å
C5	N1	sing	1.47Å	1.47Å
C12	N1	sing	1.47Å	1.46Å
N1	C6	sing	1.38Å	1.40Å
C6	N2	doub	1.33Å	1.36Å	Aromatic
C6	C11	sing	1.40Å	1.42Å	Aromatic
C10	C11	sing	1.46Å	1.44Å	Aromatic
C10	C9	doub	1.34Å	1.38Å	Aromatic
N2	C7	sing	1.32Å	1.33Å	Aromatic
C11	C8	doub	1.41Å	1.42Å	Aromatic
C9	N4	sing	1.37Å	1.39Å	Aromatic
C7	N3	doub	1.32Å	1.33Å	Aromatic
C8	N4	sing	1.37Å	1.37Å	Aromatic
C8	N3	sing	1.33Å	1.36Å	Aromatic
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C10	H12	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
N4	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	114.9°	109.1°
C3	C4	C5	113.6°	109.3°
C4	C3	H3	108.1°	109.5°
C4	C3	H4	108.1°	109.5°
C3	C4	H6	108.4°	109.5°
C3	C4	H5	108.4°	109.5°
C3	C2	O1	107.1°	109.5°
C3	C2	C12	115.7°	109.3°
C3	C2	H2	108.2°	109.5°
C2	C3	H3	108.1°	109.5°
C2	C3	H4	108.1°	109.5°
F2	C1	O1	112.6°	109.4°
F2	C1	F1	108.9°	109.5°
F2	C1	H1	108.2°	109.5°
C4	C5	N1	113.5°	109.5°
C5	C4	H6	108.4°	109.5°
C5	C4	H5	108.4°	109.5°
C4	C5	H8	108.4°	109.5°
C4	C5	H7	108.4°	109.5°
O1	C2	C12	107.6°	109.5°
C2	O1	C1	115.9°	114.0°
O1	C2	H2	109.8°	109.5°
C2	C12	N1	114.5°	109.5°
C2	C12	H13	108.2°	109.4°
C2	C12	H14	108.2°	109.5°
C12	C2	H2	108.2°	109.5°
O1	C1	F1	110.7°	109.5°
O1	C1	H1	108.1°	109.5°
F1	C1	H1	108.2°	109.5°
C5	N1	C12	117.5°	111.2°
C5	N1	C6	110.9°	111.0°
N1	C5	H8	108.5°	109.4°
N1	C5	H7	108.5°	109.4°
C12	N1	C6	111.7°	111.0°
N1	C12	H13	108.2°	109.5°
N1	C12	H14	108.2°	109.5°
N1	C6	N2	118.7°	120.8°
N1	C6	C11	122.3°	120.8°
N2	C6	C11	119.0°	118.3°
C6	N2	C7	119.0°	121.0°
C6	C11	C10	137.5°	135.1°
C6	C11	C8	115.3°	118.7°
C11	C10	C9	106.8°	106.8°
C10	C11	C8	107.3°	106.2°
C11	C10	H12	126.6°	126.6°
C10	C9	N4	109.1°	109.8°
C9	C10	H12	126.6°	126.6°
C10	C9	H11	125.5°	125.1°
N2	C7	N3	128.6°	122.7°
N2	C7	H9	115.7°	118.7°
C11	C8	N4	107.2°	107.2°
C11	C8	N3	126.0°	118.5°
C9	N4	C8	109.6°	110.0°
N4	C9	H11	125.4°	125.1°
C9	N4	H10	125.2°	124.9°
C7	N3	C8	112.2°	120.7°
N3	C7	H9	115.7°	118.6°
N4	C8	N3	126.8°	134.3°
C8	N4	H10	125.2°	125.0°
H13	C12	H14	109.5°	109.5°
H3	C3	H4	109.5°	109.6°
H6	C4	H5	109.5°	109.5°
H8	C5	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H3	120.8°	119.9°
C4	C3	C2	H4	120.8°	119.9°
C3	C4	C5	H6	120.6°	120.0°
C3	C4	C5	H5	120.6°	120.0°
C4	C3	C2	O1	78.4°	177.6°
C4	C3	C2	C12	41.6°	57.7°
C3	C4	C5	N1	40.9°	59.2°
C4	C3	C2	H2	163.2°	62.3°
C4	C3	H3	H4	117.6°	120.2°
C3	C4	H6	H5	118.1°	120.1°
C3	C4	C5	H8	161.5°	179.2°
C3	C4	C5	H7	79.6°	60.8°
C2	C3	C4	C5	4.8°	57.7°
C3	C2	O1	C12	125.1°	119.8°
C3	C2	O1	H2	117.3°	120.1°
C3	C2	C12	H2	121.6°	120.0°
C3	C2	O1	C1	143.9°	90.2°
C3	C2	C12	N1	31.9°	59.2°
C3	C2	C12	H13	152.7°	60.9°
C3	C2	C12	H14	88.8°	179.2°
C2	C3	H3	H4	117.5°	120.2°
C2	C3	C4	H6	125.4°	62.3°
C2	C3	C4	H5	115.7°	177.6°
F2	C1	O1	C2	75.6°	60.0°
F2	C1	O1	F1	122.2°	120.0°
F2	C1	O1	H1	119.4°	120.0°
F2	C1	F1	H1	117.4°	120.0°
C4	C5	N1	H8	120.6°	120.0°
C4	C5	N1	H7	120.6°	120.0°
C4	C5	N1	C12	53.2°	61.7°
C4	C5	N1	C6	176.7°	174.1°
C5	C4	C3	H3	125.6°	177.6°
C5	C4	C3	H4	115.9°	62.2°
C5	C4	H6	H5	118.1°	120.1°
C4	C5	H8	H7	118.2°	120.0°
O1	C2	C12	H2	118.6°	120.0°
C2	O1	C1	F1	162.2°	60.0°
O1	C2	C12	N1	87.8°	179.1°
O1	C2	C12	H13	32.9°	59.1°
O1	C2	C12	H14	151.4°	60.8°
C2	O1	C1	H1	43.9°	180.0°
O1	C2	C3	H3	42.4°	62.5°
O1	C2	C3	H4	160.8°	57.7°
C12	C2	O1	C1	91.0°	150.0°
C2	C12	N1	C5	15.4°	61.7°
C2	C12	N1	H13	120.7°	120.0°
C2	C12	N1	H14	120.7°	120.0°
C2	C12	N1	C6	145.1°	174.2°
C2	C12	H13	H14	117.7°	119.9°
C12	C2	C3	H3	162.4°	177.5°
C12	C2	C3	H4	79.2°	62.2°
O1	C1	F1	H1	118.3°	120.0°
C1	O1	C2	H2	26.6°	30.0°
C5	N1	C12	C6	129.7°	124.1°
C5	N1	C6	N2	114.1°	124.2°
C5	N1	C6	C11	65.2°	55.8°
C5	N1	C12	H13	105.4°	58.3°
C5	N1	C12	H14	136.1°	178.3°
N1	C5	C4	H6	79.7°	60.8°
N1	C5	C4	H5	161.5°	179.1°
N1	C5	H8	H7	118.2°	119.9°
C12	N1	C6	N2	19.0°	0.0°
C12	N1	C6	C11	161.7°	180.0°
N1	C12	H13	H14	117.7°	120.0°
N1	C12	C2	H2	153.6°	60.8°
C12	N1	C5	H8	173.7°	178.2°
C12	N1	C5	H7	67.4°	58.3°
N1	C6	N2	C11	179.4°	180.0°
N1	C6	C11	C10	2.8°	0.3°
N1	C6	N2	C7	178.2°	180.0°
N1	C6	C11	C8	179.1°	180.0°
C6	N1	C12	H13	24.4°	65.9°
C6	N1	C12	H14	94.1°	54.1°
C6	N1	C5	H8	56.2°	54.1°
C6	N1	C5	H7	62.7°	65.8°
N2	C6	C11	C10	177.8°	179.7°
N2	C6	C11	C8	0.3°	0.0°
C6	N2	C7	N3	1.4°	0.3°
C6	N2	C7	H9	178.6°	179.8°
C6	C11	C10	C8	178.2°	179.7°
C6	C11	C10	C9	178.6°	179.7°
C11	C6	N2	C7	1.1°	0.0°
C6	C11	C8	N4	179.4°	179.7°
C6	C11	C8	N3	0.6°	0.3°
C6	C11	C10	H12	1.3°	0.2°
C11	C10	C9	H12	180.0°	179.9°
C11	C10	C9	N4	0.0°	0.0°
C10	C11	C8	N4	0.7°	0.0°
C10	C11	C8	N3	179.2°	180.0°
C11	C10	C9	H11	179.9°	180.0°
C9	C10	C11	C8	0.5°	0.0°
C10	C9	N4	H11	180.0°	180.0°
C10	C9	N4	C8	0.4°	0.0°
C10	C9	N4	H10	179.6°	180.0°
N2	C7	N3	H9	180.0°	179.5°
N2	C7	N3	C8	0.6°	0.5°
C11	C8	N4	C9	0.7°	0.0°
C11	C8	N3	C7	0.5°	0.5°
C11	C8	N4	N3	179.9°	180.0°
C8	C11	C10	H12	179.5°	179.9°
C11	C8	N4	H10	179.3°	180.0°
C9	N4	C8	H10	180.0°	180.0°
C9	N4	C8	N3	179.2°	180.0°
N4	C9	C10	H12	179.9°	179.9°
C7	N3	C8	N4	179.5°	179.5°
C8	N4	C9	H11	179.6°	180.0°
C8	N3	C7	H9	179.5°	180.0°
N3	C8	N4	H10	0.8°	0.0°
H13	C12	C2	H2	85.7°	179.1°
H14	C12	C2	H2	32.8°	59.2°
H12	C10	C9	H11	0.1°	0.1°
H2	C2	C3	H3	75.9°	57.5°
H2	C2	C3	H4	42.5°	177.8°
H3	C3	C4	H6	113.8°	57.6°
H3	C3	C4	H5	5.1°	62.5°
H4	C3	C4	H6	4.7°	177.8°
H4	C3	C4	H5	123.5°	57.7°
H6	C4	C5	H8	40.9°	59.2°
H6	C4	C5	H7	159.7°	179.2°
H5	C4	C5	H8	77.9°	60.9°
H5	C4	C5	H7	40.9°	59.1°
H11	C9	N4	H10	0.4°	0.0°

Release date:	2026-11-04
Definition date:	2026-08-24
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15MF