8W1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C9 | sing | 1.40Å | 1.36Å | |
| F1 | C9 | sing | 1.40Å | 1.39Å | |
| C9 | F2 | sing | 1.40Å | 1.37Å | |
| C9 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C8 | doub | 1.22Å | 1.37Å | |
| C4 | N1 | sing | 1.35Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.46Å | 1.46Å | |
| C7 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.35Å | 1.48Å | |
| N1 | C3 | sing | 1.39Å | 1.50Å | |
| N2 | C2 | sing | 1.38Å | 1.48Å | |
| C3 | C2 | doub | 1.33Å | 1.38Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C9 | F1 | 111.5° | 109.5° |
| F3 | C9 | F2 | 111.7° | 109.5° |
| F3 | C9 | C5 | 107.6° | 109.5° |
| F1 | C9 | F2 | 108.8° | 109.5° |
| F1 | C9 | C5 | 110.7° | 109.5° |
| F2 | C9 | C5 | 106.4° | 109.4° |
| C9 | C5 | C6 | 128.5° | 126.1° |
| C9 | C5 | C4 | 129.8° | 126.0° |
| C6 | C5 | C4 | 101.6° | 107.9° |
| C5 | C6 | C7 | 117.5° | 106.8° |
| C5 | C6 | H6 | 121.3° | 126.6° |
| C5 | C4 | N1 | 109.2° | 109.1° |
| C5 | C4 | H5 | 125.4° | 125.4° |
| C6 | C7 | C8 | 138.4° | 133.3° |
| C6 | C7 | N1 | 100.6° | 107.8° |
| C7 | C6 | H6 | 121.3° | 126.6° |
| O1 | C8 | C7 | 117.7° | 120.8° |
| O1 | C8 | N2 | 124.3° | 120.7° |
| C4 | N1 | C7 | 111.1° | 108.4° |
| C4 | N1 | C3 | 128.1° | 132.4° |
| N1 | C4 | H5 | 125.4° | 125.5° |
| C8 | C7 | N1 | 120.9° | 118.9° |
| C7 | C8 | N2 | 117.9° | 118.5° |
| C7 | N1 | C3 | 120.8° | 119.2° |
| C8 | N2 | C2 | 120.2° | 120.3° |
| C8 | N2 | H7 | 119.9° | 119.8° |
| N1 | C3 | C2 | 120.2° | 121.2° |
| N1 | C3 | H4 | 119.9° | 119.4° |
| N2 | C2 | C3 | 119.9° | 121.9° |
| N2 | C2 | C1 | 118.2° | 119.1° |
| C2 | N2 | H7 | 119.9° | 119.9° |
| C3 | C2 | C1 | 121.9° | 119.0° |
| C2 | C3 | H4 | 119.9° | 119.4° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C9 | F1 | F2 | 123.7° | 120.0° |
| F3 | C9 | F1 | C5 | 119.8° | 120.0° |
| F3 | C9 | F2 | C5 | 117.2° | 120.0° |
| F3 | C9 | C5 | C6 | 73.3° | 120.0° |
| F3 | C9 | C5 | C4 | 108.0° | 60.0° |
| F1 | C9 | F2 | C5 | 119.3° | 120.1° |
| F1 | C9 | C5 | C6 | 48.8° | 120.0° |
| F1 | C9 | C5 | C4 | 129.9° | 60.0° |
| F2 | C9 | C5 | C6 | 166.9° | 0.1° |
| F2 | C9 | C5 | C4 | 11.9° | 180.0° |
| C9 | C5 | C6 | C4 | 179.0° | 180.0° |
| C9 | C5 | C6 | C7 | 179.4° | 180.0° |
| C9 | C5 | C4 | N1 | 179.0° | 180.0° |
| C9 | C5 | C4 | H5 | 1.0° | 0.3° |
| C9 | C5 | C6 | H6 | 0.7° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | N1 | 0.0° | 0.0° |
| C5 | C6 | C7 | C8 | 179.5° | 179.9° |
| C5 | C6 | C7 | N1 | 0.6° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C4 | N1 | H5 | 180.0° | 179.7° |
| C5 | C4 | N1 | C7 | 0.3° | 0.0° |
| C5 | C4 | N1 | C3 | 179.6° | 179.8° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C6 | C7 | C8 | O1 | 1.4° | 0.1° |
| C6 | C7 | N1 | C4 | 0.5° | 0.0° |
| C6 | C7 | C8 | N1 | 180.0° | 179.9° |
| C6 | C7 | C8 | N2 | 179.2° | 180.0° |
| C6 | C7 | N1 | C3 | 179.4° | 179.8° |
| O1 | C8 | C7 | N2 | 177.8° | 180.0° |
| O1 | C8 | C7 | N1 | 178.6° | 180.0° |
| O1 | C8 | N2 | C2 | 178.6° | 180.0° |
| O1 | C8 | N2 | H7 | 1.4° | 0.0° |
| C4 | N1 | C7 | C8 | 179.5° | 179.9° |
| C4 | N1 | C7 | C3 | 179.9° | 179.8° |
| C4 | N1 | C3 | C2 | 179.5° | 179.8° |
| C4 | N1 | C3 | H4 | 0.5° | 0.1° |
| C8 | C7 | N1 | C3 | 0.6° | 0.3° |
| C7 | C8 | N2 | C2 | 1.0° | 0.1° |
| C8 | C7 | C6 | H6 | 0.5° | 0.1° |
| C7 | C8 | N2 | H7 | 179.0° | 180.0° |
| N1 | C7 | C8 | N2 | 0.8° | 0.1° |
| C7 | N1 | C3 | C2 | 0.5° | 0.5° |
| C7 | N1 | C4 | H5 | 179.7° | 179.7° |
| N1 | C7 | C6 | H6 | 179.5° | 180.0° |
| C7 | N1 | C3 | H4 | 179.5° | 179.6° |
| C8 | N2 | C2 | H7 | 180.0° | 180.0° |
| C8 | N2 | C2 | C3 | 1.0° | 0.3° |
| C8 | N2 | C2 | C1 | 179.7° | 180.0° |
| N1 | C3 | C2 | N2 | 0.8° | 0.5° |
| N1 | C3 | C2 | H4 | 180.0° | 179.9° |
| N1 | C3 | C2 | C1 | 179.4° | 179.8° |
| C3 | N1 | C4 | H5 | 0.4° | 0.0° |
| N2 | C2 | C3 | C1 | 178.6° | 179.7° |
| N2 | C2 | C3 | H4 | 179.2° | 179.6° |
| N2 | C2 | C1 | H1 | 180.0° | 0.0° |
| N2 | C2 | C1 | H2 | 60.0° | 120.0° |
| N2 | C2 | C1 | H3 | 60.0° | 120.0° |
| C3 | C2 | N2 | H7 | 179.0° | 179.7° |
| C3 | C2 | C1 | H1 | 1.3° | 179.8° |
| C3 | C2 | C1 | H2 | 118.7° | 59.8° |
| C3 | C2 | C1 | H3 | 121.4° | 60.3° |
| C1 | C2 | N2 | H7 | 0.3° | 0.0° |
| C1 | C2 | C3 | H4 | 0.6° | 0.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
