A1AYL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.42Å | |
| C4 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C6 | C9 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | F2 | sing | 1.35Å | 1.35Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 120.5° | 119.9° |
| F1 | C1 | C11 | 118.9° | 120.0° |
| C2 | C1 | C11 | 120.6° | 120.1° |
| C1 | C2 | C3 | 119.1° | 120.1° |
| C1 | C2 | H2 | 120.4° | 120.0° |
| C1 | C11 | C10 | 121.3° | 120.0° |
| C1 | C11 | F2 | 118.8° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C3 | C2 | H2 | 120.5° | 119.9° |
| C2 | C3 | H3 | 119.7° | 120.1° |
| C3 | C4 | N1 | 121.7° | 120.0° |
| C3 | C4 | C10 | 119.5° | 119.9° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| N1 | C4 | C10 | 118.7° | 120.1° |
| C4 | N1 | C5 | 130.5° | 120.0° |
| C4 | N1 | H1 | 114.8° | 120.0° |
| C4 | C10 | C11 | 118.9° | 120.0° |
| C4 | C10 | H10 | 120.6° | 120.0° |
| N1 | C5 | O1 | 124.2° | 120.0° |
| N1 | C5 | C6 | 113.6° | 120.0° |
| C5 | N1 | H1 | 114.8° | 120.0° |
| O1 | C5 | C6 | 122.0° | 120.0° |
| C5 | C6 | C7 | 113.0° | 113.6° |
| C5 | C6 | C9 | 114.2° | 113.6° |
| C5 | C6 | H6 | 114.1° | 112.8° |
| C7 | C6 | C9 | 85.5° | 87.1° |
| C6 | C7 | C8 | 86.6° | 87.1° |
| C7 | C6 | H6 | 113.5° | 113.7° |
| C6 | C7 | H73 | 114.8° | 113.6° |
| C6 | C7 | H72 | 114.9° | 113.6° |
| C6 | C9 | C8 | 86.6° | 87.0° |
| C9 | C6 | H6 | 113.5° | 113.6° |
| C6 | C9 | H92 | 114.9° | 113.6° |
| C6 | C9 | H93 | 114.9° | 113.6° |
| C7 | C8 | C9 | 86.3° | 87.1° |
| C8 | C7 | H73 | 114.9° | 113.7° |
| C8 | C7 | H72 | 114.8° | 113.6° |
| C7 | C8 | H83 | 114.9° | 113.6° |
| C7 | C8 | H82 | 114.9° | 113.6° |
| C9 | C8 | H83 | 114.9° | 113.6° |
| C9 | C8 | H82 | 114.9° | 113.6° |
| C8 | C9 | H92 | 114.8° | 113.6° |
| C8 | C9 | H93 | 114.9° | 113.6° |
| C10 | C11 | F2 | 119.9° | 120.0° |
| C11 | C10 | H10 | 120.5° | 120.0° |
| H73 | C7 | H72 | 109.5° | 112.9° |
| H83 | C8 | H82 | 109.5° | 112.9° |
| H92 | C9 | H93 | 109.4° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C11 | 179.9° | 179.8° |
| F1 | C1 | C2 | C3 | 179.9° | 179.7° |
| F1 | C1 | C11 | C10 | 180.0° | 179.7° |
| F1 | C1 | C11 | F2 | 0.1° | 0.2° |
| F1 | C1 | C2 | H2 | 0.1° | 0.2° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C11 | C10 | 0.1° | 0.1° |
| C2 | C1 | C11 | F2 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 179.4° | 179.9° |
| C11 | C1 | C2 | C3 | 0.0° | 0.1° |
| C1 | C11 | C10 | C4 | 0.4° | 0.0° |
| C1 | C11 | C10 | F2 | 179.9° | 179.9° |
| C1 | C11 | C10 | H10 | 179.6° | 180.0° |
| C11 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 178.8° | 180.0° |
| C2 | C3 | C4 | C10 | 1.0° | 0.0° |
| C3 | C4 | N1 | C10 | 177.7° | 180.0° |
| C3 | C4 | N1 | C5 | 4.9° | 144.9° |
| C3 | C4 | C10 | C11 | 0.9° | 0.0° |
| C3 | C4 | C10 | H10 | 179.1° | 179.9° |
| C4 | C3 | C2 | H2 | 179.4° | 180.0° |
| C3 | C4 | N1 | H1 | 175.1° | 35.1° |
| C4 | N1 | C5 | H1 | 180.0° | 180.0° |
| C4 | N1 | C5 | O1 | 6.5° | 4.6° |
| C4 | N1 | C5 | C6 | 169.3° | 175.4° |
| N1 | C4 | C10 | C11 | 178.7° | 180.0° |
| N1 | C4 | C10 | H10 | 1.3° | 0.0° |
| N1 | C4 | C3 | H3 | 1.2° | 0.1° |
| C10 | C4 | N1 | C5 | 177.4° | 35.1° |
| C4 | C10 | C11 | H10 | 180.0° | 179.9° |
| C4 | C10 | C11 | F2 | 179.5° | 179.9° |
| C10 | C4 | C3 | H3 | 178.9° | 180.0° |
| C10 | C4 | N1 | H1 | 2.6° | 145.0° |
| N1 | C5 | O1 | C6 | 175.5° | 180.0° |
| N1 | C5 | C6 | C7 | 66.0° | 180.0° |
| N1 | C5 | C6 | C9 | 161.6° | 82.5° |
| N1 | C5 | C6 | H6 | 65.6° | 48.7° |
| O1 | C5 | C6 | C7 | 110.0° | 0.0° |
| O1 | C5 | C6 | C9 | 14.3° | 97.6° |
| O1 | C5 | C6 | H6 | 118.4° | 131.2° |
| O1 | C5 | N1 | H1 | 173.5° | 175.4° |
| C5 | C6 | C7 | C9 | 114.4° | 114.6° |
| C5 | C6 | C7 | H6 | 131.9° | 130.8° |
| C5 | C6 | C9 | H6 | 133.0° | 130.8° |
| C5 | C6 | C7 | C8 | 85.8° | 89.1° |
| C5 | C6 | C9 | C8 | 84.6° | 89.1° |
| C5 | C6 | C7 | H73 | 30.1° | 25.5° |
| C5 | C6 | C7 | H72 | 158.4° | 156.4° |
| C5 | C6 | C9 | H92 | 159.5° | 156.4° |
| C5 | C6 | C9 | H93 | 31.3° | 25.4° |
| C6 | C5 | N1 | H1 | 10.7° | 4.6° |
| C7 | C6 | C9 | H6 | 113.7° | 114.6° |
| C6 | C7 | C8 | H73 | 115.8° | 114.6° |
| C6 | C7 | C8 | H72 | 115.9° | 114.5° |
| C7 | C6 | C9 | C8 | 28.6° | 25.4° |
| C6 | C7 | H73 | H72 | 130.9° | 131.2° |
| C6 | C7 | C8 | H83 | 87.0° | 89.2° |
| C6 | C7 | C8 | H82 | 144.6° | 140.0° |
| C7 | C6 | C9 | H92 | 87.2° | 89.1° |
| C7 | C6 | C9 | H93 | 144.5° | 139.9° |
| C6 | C9 | C8 | H92 | 115.9° | 114.6° |
| C6 | C9 | C8 | H93 | 115.9° | 114.5° |
| C9 | C6 | C7 | H73 | 144.5° | 140.1° |
| C9 | C6 | C7 | H72 | 87.2° | 89.1° |
| C6 | C9 | C8 | H83 | 87.0° | 89.1° |
| C6 | C9 | C8 | H82 | 144.6° | 140.0° |
| C6 | C9 | H92 | H93 | 130.9° | 131.3° |
| C7 | C8 | C9 | H83 | 115.8° | 114.6° |
| C7 | C8 | C9 | H82 | 115.8° | 114.6° |
| C8 | C7 | C6 | H6 | 142.3° | 140.1° |
| C8 | C7 | H73 | H72 | 130.9° | 131.3° |
| C7 | C8 | H83 | H82 | 131.1° | 131.3° |
| C7 | C8 | C9 | H92 | 87.0° | 89.1° |
| C7 | C8 | C9 | H93 | 144.7° | 139.9° |
| C8 | C9 | C6 | H6 | 142.3° | 140.1° |
| C9 | C8 | C7 | H73 | 144.7° | 140.0° |
| C9 | C8 | C7 | H72 | 87.0° | 89.0° |
| C9 | C8 | H83 | H82 | 131.1° | 131.2° |
| C8 | C9 | H92 | H93 | 130.9° | 131.2° |
| F2 | C11 | C10 | H10 | 0.5° | 0.1° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| H6 | C6 | C7 | H73 | 101.8° | 105.3° |
| H6 | C6 | C7 | H72 | 26.5° | 25.5° |
| H6 | C6 | C9 | H92 | 26.5° | 25.5° |
| H6 | C6 | C9 | H93 | 101.8° | 105.5° |
| H73 | C7 | C8 | H83 | 28.9° | 25.4° |
| H73 | C7 | C8 | H82 | 99.5° | 105.5° |
| H72 | C7 | C8 | H83 | 157.2° | 156.4° |
| H72 | C7 | C8 | H82 | 28.8° | 25.5° |
| H83 | C8 | C9 | H92 | 157.2° | 156.3° |
| H83 | C8 | C9 | H93 | 28.9° | 25.4° |
| H82 | C8 | C9 | H92 | 28.7° | 25.4° |
| H82 | C8 | C9 | H93 | 99.5° | 105.5° |
