A1EHO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| F2 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.51Å | |
| C3 | F1 | sing | 1.35Å | 1.35Å | |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 118.4° | 120.2° |
| C6 | C5 | C4 | 120.9° | 120.4° |
| C6 | C5 | H4 | 119.6° | 119.8° |
| C5 | C6 | H5 | 120.8° | 119.9° |
| C6 | C7 | F2 | 118.6° | 120.1° |
| C6 | C7 | C2 | 123.5° | 119.8° |
| C7 | C6 | H5 | 120.8° | 119.9° |
| C5 | C4 | C3 | 118.2° | 120.1° |
| C5 | C4 | H3 | 120.9° | 119.9° |
| C4 | C5 | H4 | 119.6° | 119.8° |
| F2 | C7 | C2 | 117.9° | 120.1° |
| C7 | C2 | C3 | 115.4° | 119.6° |
| C7 | C2 | C1 | 122.5° | 120.2° |
| C4 | C3 | C2 | 123.7° | 119.8° |
| C4 | C3 | F1 | 118.7° | 120.1° |
| C3 | C4 | H3 | 120.9° | 119.9° |
| C3 | C2 | C1 | 122.1° | 120.2° |
| C2 | C3 | F1 | 117.7° | 120.1° |
| C2 | C1 | O1 | 120.7° | 120.0° |
| C2 | C1 | N1 | 117.4° | 120.0° |
| O1 | C1 | N1 | 121.8° | 120.0° |
| C1 | N1 | H1 | 120.0° | 120.1° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| H1 | N1 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | F2 | 179.8° | 180.0° |
| C5 | C6 | C7 | C2 | 0.5° | 0.1° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C5 | C4 | H3 | 179.8° | 179.8° |
| C7 | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | C7 | F2 | C2 | 179.7° | 179.9° |
| C6 | C7 | C2 | C3 | 1.2° | 0.0° |
| C6 | C7 | C2 | C1 | 179.3° | 180.0° |
| C7 | C6 | C5 | H4 | 179.8° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.6° | 0.1° |
| C5 | C4 | C3 | F1 | 179.3° | 179.7° |
| C4 | C5 | C6 | H5 | 179.8° | 180.0° |
| F2 | C7 | C2 | C3 | 179.2° | 179.9° |
| F2 | C7 | C2 | C1 | 1.0° | 0.0° |
| F2 | C7 | C6 | H5 | 0.2° | 0.1° |
| C7 | C2 | C3 | C4 | 1.2° | 0.0° |
| C7 | C2 | C3 | C1 | 178.2° | 180.0° |
| C7 | C2 | C3 | F1 | 179.9° | 179.7° |
| C7 | C2 | C1 | O1 | 70.3° | 90.0° |
| C7 | C2 | C1 | N1 | 110.8° | 90.0° |
| C2 | C7 | C6 | H5 | 179.5° | 180.0° |
| C4 | C3 | C2 | F1 | 178.7° | 179.7° |
| C4 | C3 | C2 | C1 | 179.4° | 180.0° |
| C3 | C4 | C5 | H4 | 179.8° | 180.0° |
| C3 | C2 | C1 | O1 | 111.7° | 90.0° |
| C3 | C2 | C1 | N1 | 67.2° | 90.0° |
| C2 | C3 | C4 | H3 | 179.4° | 179.7° |
| C1 | C2 | C3 | F1 | 1.9° | 0.3° |
| C2 | C1 | O1 | N1 | 178.8° | 179.9° |
| C2 | C1 | N1 | H1 | 178.9° | 0.0° |
| C2 | C1 | N1 | H2 | 1.1° | 179.7° |
| F1 | C3 | C4 | H3 | 0.7° | 0.0° |
| O1 | C1 | N1 | H1 | 0.0° | 180.0° |
| O1 | C1 | N1 | H2 | 180.0° | 0.3° |
| C1 | N1 | H1 | H2 | 180.0° | 179.7° |
| H3 | C4 | C5 | H4 | 0.2° | 0.3° |
| H4 | C5 | C6 | H5 | 0.2° | 0.1° |
