A1EHG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C8 | sing | 1.35Å | 1.36Å | |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C8 | C7 | 119.5° | 120.0° |
| F1 | C8 | C3 | 117.7° | 120.1° |
| C8 | C7 | C6 | 118.9° | 120.0° |
| C7 | C8 | C3 | 122.8° | 119.9° |
| C8 | C7 | H5 | 120.6° | 120.0° |
| C7 | C6 | C5 | 119.9° | 120.1° |
| C7 | C6 | H4 | 120.0° | 119.9° |
| C6 | C7 | H5 | 120.5° | 120.0° |
| C8 | C3 | N1 | 119.3° | 120.1° |
| C8 | C3 | C4 | 117.2° | 119.8° |
| C6 | C5 | C4 | 120.8° | 120.1° |
| C6 | C5 | H3 | 119.6° | 119.9° |
| C5 | C6 | H4 | 120.0° | 119.9° |
| N1 | C3 | C4 | 123.4° | 120.1° |
| C3 | N1 | C2 | 131.4° | 120.0° |
| C3 | N1 | H1 | 114.3° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C3 | C4 | H2 | 119.8° | 120.0° |
| C5 | C4 | H2 | 119.8° | 120.0° |
| C4 | C5 | H3 | 119.6° | 120.0° |
| N1 | C2 | O1 | 122.8° | 120.0° |
| N1 | C2 | C1 | 116.1° | 120.0° |
| C2 | N1 | H1 | 114.3° | 120.0° |
| O1 | C2 | C1 | 121.0° | 120.0° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C8 | C7 | C3 | 179.7° | 179.8° |
| F1 | C8 | C7 | C6 | 180.0° | 180.0° |
| F1 | C8 | C3 | N1 | 0.4° | 0.2° |
| F1 | C8 | C3 | C4 | 179.5° | 179.7° |
| F1 | C8 | C7 | H5 | 0.0° | 0.2° |
| C8 | C7 | C6 | H5 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | C8 | C3 | N1 | 179.9° | 180.0° |
| C7 | C8 | C3 | C4 | 0.7° | 0.4° |
| C8 | C7 | C6 | H4 | 179.9° | 180.0° |
| C6 | C7 | C8 | C3 | 0.3° | 0.2° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C8 | C3 | N1 | C4 | 179.1° | 179.6° |
| C8 | C3 | C4 | C5 | 0.8° | 0.5° |
| C8 | C3 | N1 | C2 | 122.5° | 144.9° |
| C8 | C3 | N1 | H1 | 57.5° | 35.4° |
| C8 | C3 | C4 | H2 | 179.2° | 179.8° |
| C3 | C8 | C7 | H5 | 179.7° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.2° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 179.6° | 180.0° |
| C5 | C6 | C7 | H5 | 179.9° | 179.8° |
| N1 | C3 | C4 | C5 | 179.9° | 180.0° |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| C3 | N1 | C2 | O1 | 177.2° | 4.1° |
| C3 | N1 | C2 | C1 | 0.9° | 175.8° |
| N1 | C3 | C4 | H2 | 0.1° | 0.2° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C4 | C3 | N1 | C2 | 58.4° | 34.6° |
| C4 | C3 | N1 | H1 | 121.6° | 145.1° |
| C3 | C4 | C5 | H3 | 179.6° | 179.8° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| N1 | C2 | O1 | C1 | 178.1° | 179.9° |
| N1 | C2 | C1 | H6 | 178.2° | 60.0° |
| N1 | C2 | C1 | H7 | 61.8° | 180.0° |
| N1 | C2 | C1 | H8 | 58.2° | 60.0° |
| O1 | C2 | N1 | H1 | 2.7° | 175.6° |
| O1 | C2 | C1 | H6 | 0.0° | 120.1° |
| O1 | C2 | C1 | H7 | 120.0° | 0.1° |
| O1 | C2 | C1 | H8 | 120.0° | 120.0° |
| C1 | C2 | N1 | H1 | 179.1° | 4.5° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.1° |
| H2 | C4 | C5 | H3 | 0.4° | 0.0° |
| H3 | C5 | C6 | H4 | 0.0° | 0.0° |
| H4 | C6 | C7 | H5 | 0.1° | 0.2° |
| H6 | C1 | H7 | H8 | 120.0° | 119.9° |
