A1AJ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.35Å | 1.35Å | |
| C | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | O | doub | 1.22Å | 1.22Å | |
| N | C6 | sing | 1.35Å | 1.36Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C9 | sing | 1.47Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | C1 | 118.2° | 120.0° |
| F | C | C5 | 118.2° | 119.9° |
| C | C1 | C2 | 117.8° | 120.3° |
| C1 | C | C5 | 123.7° | 120.1° |
| C | C1 | H | 121.1° | 119.8° |
| C1 | C2 | C3 | 120.4° | 120.1° |
| C1 | C2 | H1 | 119.8° | 119.9° |
| C2 | C1 | H | 121.1° | 119.8° |
| C2 | C3 | C4 | 120.8° | 119.9° |
| C2 | C3 | H2 | 119.6° | 120.0° |
| C3 | C2 | H1 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.0° | 119.7° |
| C3 | C4 | C6 | 117.4° | 120.1° |
| C4 | C3 | H2 | 119.6° | 120.0° |
| C4 | C5 | C | 118.3° | 119.8° |
| C5 | C4 | C6 | 123.2° | 120.1° |
| C4 | C5 | H3 | 120.9° | 120.1° |
| C | C5 | H3 | 120.8° | 120.1° |
| C4 | C6 | O | 119.1° | 120.0° |
| C4 | C6 | N | 119.2° | 120.0° |
| O | C6 | N | 121.7° | 120.0° |
| C6 | N | C7 | 125.2° | 120.9° |
| C6 | N | C10 | 120.6° | 120.9° |
| N | C7 | C8 | 113.1° | 108.5° |
| C7 | N | C10 | 114.1° | 118.2° |
| N | C7 | H4 | 108.6° | 109.6° |
| N | C7 | H5 | 108.5° | 109.8° |
| C7 | C8 | N1 | 113.0° | 109.3° |
| C8 | C7 | H4 | 108.6° | 109.6° |
| C8 | C7 | H5 | 108.6° | 109.7° |
| C7 | C8 | H6 | 108.6° | 109.5° |
| C7 | C8 | H7 | 108.6° | 109.4° |
| C8 | N1 | C9 | 114.0° | 111.3° |
| C8 | N1 | H8 | 108.3° | 111.0° |
| N1 | C8 | H6 | 108.6° | 109.5° |
| N1 | C8 | H7 | 108.6° | 109.5° |
| N1 | C9 | C10 | 113.3° | 109.3° |
| C9 | N1 | H8 | 108.3° | 111.0° |
| N1 | C9 | H9 | 108.5° | 109.5° |
| N1 | C9 | H10 | 108.5° | 109.5° |
| C9 | C10 | N | 111.3° | 108.5° |
| C9 | C10 | H11 | 109.0° | 109.6° |
| C9 | C10 | H12 | 109.0° | 109.8° |
| C10 | C9 | H9 | 108.5° | 109.5° |
| C10 | C9 | H10 | 108.5° | 109.5° |
| N | C10 | H11 | 109.0° | 109.6° |
| N | C10 | H12 | 109.0° | 109.6° |
| H4 | C7 | H5 | 109.4° | 109.6° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.6° |
| H9 | C9 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C1 | C5 | 177.8° | 179.8° |
| F | C | C1 | C2 | 178.4° | 180.0° |
| F | C | C5 | C4 | 177.3° | 179.8° |
| F | C | C5 | H3 | 2.8° | 0.3° |
| F | C | C1 | H | 1.6° | 0.2° |
| C | C1 | C2 | H | 180.0° | 179.8° |
| C | C1 | C2 | C3 | 0.3° | 0.2° |
| C1 | C | C5 | C4 | 0.5° | 0.0° |
| C1 | C | C5 | H3 | 179.4° | 179.9° |
| C | C1 | C2 | H1 | 179.7° | 179.8° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C1 | C | C5 | 0.6° | 0.2° |
| C1 | C2 | C3 | H2 | 178.9° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.2° | 0.3° |
| C2 | C3 | C4 | C6 | 170.8° | 179.9° |
| C3 | C2 | C1 | H | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 172.6° | 179.8° |
| C3 | C4 | C5 | C | 1.9° | 0.3° |
| C3 | C4 | C6 | O | 79.8° | 140.8° |
| C3 | C4 | C6 | N | 98.3° | 39.2° |
| C3 | C4 | C5 | H3 | 178.1° | 179.7° |
| C4 | C3 | C2 | H1 | 178.9° | 180.0° |
| C4 | C5 | C | H3 | 180.0° | 179.9° |
| C5 | C4 | C6 | O | 92.9° | 39.0° |
| C5 | C4 | C6 | N | 89.1° | 141.0° |
| C5 | C4 | C3 | H2 | 177.8° | 179.8° |
| C | C5 | C4 | C6 | 170.7° | 180.0° |
| C5 | C | C1 | H | 179.4° | 180.0° |
| C4 | C6 | O | N | 178.0° | 180.0° |
| C4 | C6 | N | C7 | 4.5° | 174.2° |
| C4 | C6 | N | C10 | 177.0° | 5.9° |
| C6 | C4 | C5 | H3 | 9.4° | 0.1° |
| C6 | C4 | C3 | H2 | 9.2° | 0.0° |
| O | C6 | N | C7 | 177.5° | 5.7° |
| O | C6 | N | C10 | 1.0° | 174.2° |
| C6 | N | C7 | C10 | 178.6° | 179.9° |
| C6 | N | C7 | C8 | 151.3° | 128.8° |
| C6 | N | C10 | C9 | 117.8° | 128.8° |
| C6 | N | C7 | H4 | 30.7° | 111.5° |
| C6 | N | C7 | H5 | 88.1° | 8.9° |
| C6 | N | C10 | H11 | 2.5° | 111.5° |
| C6 | N | C10 | H12 | 121.9° | 8.9° |
| N | C7 | C8 | H4 | 120.6° | 119.7° |
| N | C7 | C8 | H5 | 120.5° | 119.9° |
| N | C7 | C8 | N1 | 29.0° | 53.8° |
| C7 | N | C10 | C9 | 60.9° | 51.1° |
| N | C7 | H4 | H5 | 118.3° | 120.5° |
| N | C7 | C8 | H6 | 149.5° | 173.8° |
| N | C7 | C8 | H7 | 91.5° | 66.2° |
| C7 | N | C10 | H11 | 178.8° | 68.6° |
| C7 | N | C10 | H12 | 59.4° | 171.0° |
| C7 | C8 | N1 | H6 | 120.5° | 119.9° |
| C7 | C8 | N1 | H7 | 120.5° | 119.9° |
| C7 | C8 | N1 | C9 | 54.1° | 63.1° |
| C8 | C7 | N | C10 | 27.3° | 51.1° |
| C7 | C8 | N1 | H8 | 66.6° | 172.8° |
| C8 | C7 | H4 | H5 | 118.4° | 120.4° |
| C7 | C8 | H6 | H7 | 118.4° | 120.0° |
| C8 | N1 | C9 | H8 | 120.7° | 124.1° |
| C8 | N1 | C9 | C10 | 20.8° | 63.1° |
| N1 | C8 | C7 | H4 | 91.6° | 65.8° |
| N1 | C8 | C7 | H5 | 149.6° | 173.8° |
| N1 | C8 | H6 | H7 | 118.4° | 120.1° |
| C8 | N1 | C9 | H9 | 141.3° | 56.8° |
| C8 | N1 | C9 | H10 | 99.8° | 176.9° |
| N1 | C9 | C10 | H9 | 120.6° | 120.0° |
| N1 | C9 | C10 | H10 | 120.6° | 120.0° |
| N1 | C9 | C10 | N | 34.6° | 53.8° |
| C9 | N1 | C8 | H6 | 174.7° | 176.9° |
| C9 | N1 | C8 | H7 | 66.4° | 56.8° |
| N1 | C9 | C10 | H11 | 154.9° | 65.9° |
| N1 | C9 | C10 | H12 | 85.7° | 173.6° |
| N1 | C9 | H9 | H10 | 118.2° | 120.1° |
| C9 | C10 | N | H11 | 120.3° | 119.7° |
| C9 | C10 | N | H12 | 120.3° | 119.9° |
| C10 | C9 | N1 | H8 | 100.0° | 172.8° |
| C9 | C10 | H11 | H12 | 119.2° | 120.6° |
| C10 | C9 | H9 | H10 | 118.3° | 120.0° |
| C10 | N | C7 | H4 | 147.9° | 68.6° |
| C10 | N | C7 | H5 | 93.3° | 171.0° |
| N | C10 | H11 | H12 | 119.2° | 120.4° |
| N | C10 | C9 | H9 | 85.9° | 66.2° |
| N | C10 | C9 | H10 | 155.2° | 173.8° |
| H8 | N1 | C8 | H6 | 54.0° | 52.8° |
| H8 | N1 | C8 | H7 | 172.9° | 67.3° |
| H8 | N1 | C9 | H9 | 20.6° | 67.3° |
| H8 | N1 | C9 | H10 | 139.5° | 52.8° |
| H4 | C7 | C8 | H6 | 28.9° | 54.2° |
| H4 | C7 | C8 | H7 | 147.9° | 174.2° |
| H5 | C7 | C8 | H6 | 89.9° | 66.2° |
| H5 | C7 | C8 | H7 | 29.0° | 53.8° |
| H11 | C10 | C9 | H9 | 34.4° | 174.1° |
| H11 | C10 | C9 | H10 | 84.5° | 54.1° |
| H12 | C10 | C9 | H9 | 153.8° | 53.6° |
| H12 | C10 | C9 | H10 | 34.9° | 66.4° |
| H2 | C3 | C2 | H1 | 1.1° | 0.1° |
| H1 | C2 | C1 | H | 0.3° | 0.0° |
