A1EHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C5 | sing | 1.40Å | 1.33Å | |
| O1 | C1 | sing | 1.35Å | 1.37Å | |
| F1 | C5 | sing | 1.40Å | 1.33Å | |
| N2 | C1 | sing | 1.33Å | 1.33Å | Aromatic |
| N2 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | F3 | sing | 1.40Å | 1.33Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C5 | F1 | 107.5° | 109.5° |
| F2 | C5 | C4 | 111.1° | 109.4° |
| F2 | C5 | F3 | 107.1° | 109.5° |
| O1 | C1 | N2 | 117.6° | 120.5° |
| O1 | C1 | C2 | 120.2° | 120.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| F1 | C5 | C4 | 111.5° | 109.5° |
| F1 | C5 | F3 | 107.5° | 109.5° |
| C1 | N2 | C4 | 117.8° | 120.7° |
| N2 | C1 | C2 | 122.2° | 119.0° |
| N2 | C4 | C5 | 117.5° | 119.1° |
| N2 | C4 | N1 | 124.2° | 121.8° |
| C4 | C5 | F3 | 111.8° | 109.5° |
| C5 | C4 | N1 | 118.3° | 119.1° |
| C1 | C2 | C3 | 116.1° | 118.4° |
| C1 | C2 | H1 | 122.0° | 120.8° |
| C4 | N1 | C3 | 117.0° | 121.0° |
| C2 | C3 | N1 | 122.7° | 119.1° |
| C3 | C2 | H1 | 121.9° | 120.8° |
| C2 | C3 | H3 | 118.7° | 120.5° |
| N1 | C3 | H3 | 118.6° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C5 | F1 | C4 | 122.1° | 120.0° |
| F2 | C5 | F1 | F3 | 115.0° | 120.0° |
| F2 | C5 | C4 | N2 | 100.3° | 75.0° |
| F2 | C5 | C4 | F3 | 119.7° | 120.0° |
| F2 | C5 | C4 | N1 | 79.4° | 105.0° |
| O1 | C1 | N2 | C2 | 179.8° | 180.0° |
| O1 | C1 | N2 | C4 | 179.5° | 180.0° |
| O1 | C1 | C2 | C3 | 180.0° | 180.0° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| F1 | C5 | C4 | N2 | 19.6° | 45.0° |
| F1 | C5 | C4 | F3 | 120.4° | 120.0° |
| F1 | C5 | C4 | N1 | 160.7° | 135.0° |
| C1 | N2 | C4 | C5 | 179.1° | 180.0° |
| C1 | N2 | C4 | N1 | 0.6° | 0.1° |
| N2 | C1 | C2 | C3 | 0.2° | 0.0° |
| N2 | C1 | C2 | H1 | 179.8° | 180.0° |
| N2 | C1 | O1 | H2 | 0.0° | 90.0° |
| N2 | C4 | C5 | N1 | 179.7° | 179.9° |
| N2 | C4 | C5 | F3 | 140.0° | 165.0° |
| C4 | N2 | C1 | C2 | 0.6° | 0.0° |
| N2 | C4 | N1 | C3 | 0.1° | 0.1° |
| C5 | C4 | N1 | C3 | 179.6° | 180.0° |
| F3 | C5 | C4 | N1 | 40.3° | 15.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | N1 | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 179.6° | 179.9° |
| C2 | C1 | O1 | H2 | 179.9° | 90.0° |
| C4 | N1 | C3 | C2 | 0.4° | 0.1° |
| C4 | N1 | C3 | H3 | 179.6° | 179.9° |
| C2 | C3 | N1 | H3 | 180.0° | 179.9° |
| N1 | C3 | C2 | H1 | 179.6° | 180.0° |
| H1 | C2 | C3 | H3 | 0.4° | 0.1° |
