8T7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.39Å | 1.38Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.48Å | |
| F3 | C11 | sing | 1.40Å | 1.33Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C3 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | F1 | sing | 1.40Å | 1.33Å | |
| C11 | F2 | sing | 1.40Å | 1.33Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 119.3° | 120.1° |
| C8 | C7 | C6 | 120.3° | 120.2° |
| C8 | C7 | H5 | 119.9° | 119.8° |
| C7 | C8 | H6 | 120.3° | 120.0° |
| C8 | C9 | C4 | 121.2° | 119.8° |
| C9 | C8 | H6 | 120.3° | 119.9° |
| C8 | C9 | H10 | 119.4° | 120.1° |
| C7 | C6 | C5 | 120.5° | 120.1° |
| C7 | C6 | H4 | 119.7° | 120.0° |
| C6 | C7 | H5 | 119.8° | 119.9° |
| C9 | C4 | C5 | 118.6° | 119.8° |
| C9 | C4 | C3 | 119.7° | 120.1° |
| C4 | C9 | H10 | 119.4° | 120.1° |
| C6 | C5 | C4 | 120.0° | 119.9° |
| C6 | C5 | H3 | 120.0° | 120.1° |
| C5 | C6 | H4 | 119.7° | 119.9° |
| N3 | C2 | C3 | 124.7° | 126.4° |
| N3 | C2 | N1 | 126.8° | 126.4° |
| C2 | N3 | H1 | 109.5° | 120.0° |
| C2 | N3 | H2 | 109.4° | 120.0° |
| C5 | C4 | C3 | 121.7° | 120.1° |
| C4 | C5 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | 125.6° | 126.4° |
| C4 | C3 | C10 | 129.1° | 126.3° |
| F3 | C11 | C10 | 111.4° | 109.5° |
| F3 | C11 | F1 | 108.0° | 109.5° |
| F3 | C11 | F2 | 112.0° | 109.4° |
| C3 | C2 | N1 | 108.4° | 107.3° |
| C2 | C3 | C10 | 105.3° | 107.2° |
| C2 | N1 | C1 | 127.3° | 125.9° |
| C2 | N1 | N2 | 108.6° | 108.3° |
| C3 | C10 | N2 | 108.6° | 108.2° |
| C3 | C10 | C11 | 127.9° | 125.9° |
| C1 | N1 | N2 | 124.1° | 125.8° |
| N1 | C1 | H7 | 109.5° | 109.5° |
| N1 | C1 | H8 | 109.5° | 109.4° |
| N1 | C1 | H9 | 109.4° | 109.5° |
| N1 | N2 | C10 | 109.1° | 109.0° |
| N2 | C10 | C11 | 123.4° | 125.9° |
| C10 | C11 | F1 | 109.6° | 109.4° |
| C10 | C11 | F2 | 107.6° | 109.5° |
| F1 | C11 | F2 | 108.2° | 109.5° |
| H1 | N3 | H2 | 109.5° | 120.0° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H6 | 180.0° | 179.7° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 0.5° | 0.4° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H4 | 179.9° | 180.0° |
| C7 | C8 | C9 | H10 | 179.5° | 180.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.2° |
| C8 | C9 | C4 | H10 | 180.0° | 179.5° |
| C8 | C9 | C4 | C5 | 0.8° | 0.4° |
| C8 | C9 | C4 | C3 | 179.0° | 179.8° |
| C9 | C8 | C7 | H5 | 179.0° | 179.8° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 1.3° | 0.0° |
| C7 | C6 | C5 | H3 | 178.7° | 180.0° |
| C6 | C7 | C8 | H6 | 179.0° | 179.9° |
| C9 | C4 | C5 | C6 | 1.7° | 0.2° |
| C9 | C4 | C5 | C3 | 178.2° | 179.7° |
| C9 | C4 | C3 | C2 | 130.0° | 64.7° |
| C9 | C4 | C3 | C10 | 47.4° | 115.2° |
| C9 | C4 | C5 | H3 | 178.3° | 179.8° |
| C4 | C9 | C8 | H6 | 179.5° | 179.9° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.9° | 180.0° |
| C5 | C6 | C7 | H5 | 179.9° | 180.0° |
| N3 | C2 | C3 | C4 | 0.7° | 0.1° |
| N3 | C2 | C3 | N1 | 178.7° | 179.9° |
| N3 | C2 | C3 | C10 | 178.7° | 180.0° |
| N3 | C2 | N1 | C1 | 1.6° | 0.1° |
| N3 | C2 | N1 | N2 | 179.0° | 179.7° |
| C2 | N3 | H1 | H2 | 120.0° | 180.0° |
| C5 | C4 | C3 | C2 | 48.2° | 115.0° |
| C5 | C4 | C3 | C10 | 134.4° | 65.0° |
| C4 | C5 | C6 | H4 | 178.7° | 180.0° |
| C5 | C4 | C9 | H10 | 179.2° | 180.0° |
| C4 | C3 | C2 | C10 | 177.9° | 180.0° |
| C4 | C3 | C2 | N1 | 177.9° | 180.0° |
| C4 | C3 | C10 | N2 | 178.3° | 179.7° |
| C4 | C3 | C10 | C11 | 4.5° | 0.2° |
| C3 | C4 | C5 | H3 | 0.1° | 0.0° |
| C3 | C4 | C9 | H10 | 0.9° | 0.3° |
| F3 | C11 | C10 | C3 | 72.2° | 64.5° |
| F3 | C11 | C10 | N2 | 110.9° | 115.0° |
| F3 | C11 | C10 | F1 | 119.5° | 120.0° |
| F3 | C11 | C10 | F2 | 123.1° | 120.0° |
| F3 | C11 | F1 | F2 | 121.4° | 120.0° |
| C3 | C2 | N1 | C1 | 179.7° | 180.0° |
| C3 | C2 | N1 | N2 | 0.4° | 0.2° |
| C2 | C3 | C10 | N2 | 0.4° | 0.3° |
| C2 | C3 | C10 | C11 | 177.7° | 179.8° |
| C3 | C2 | N3 | H1 | 180.0° | 0.1° |
| C3 | C2 | N3 | H2 | 60.0° | 180.0° |
| N1 | C2 | C3 | C10 | 0.0° | 0.1° |
| C2 | N1 | C1 | N2 | 179.2° | 179.8° |
| C2 | N1 | N2 | C10 | 0.7° | 0.4° |
| N1 | C2 | N3 | H1 | 1.5° | 179.9° |
| N1 | C2 | N3 | H2 | 118.5° | 0.1° |
| C2 | N1 | C1 | H7 | 179.2° | 89.7° |
| C2 | N1 | C1 | H8 | 60.8° | 30.3° |
| C2 | N1 | C1 | H9 | 59.2° | 150.2° |
| C3 | C10 | N2 | N1 | 0.7° | 0.4° |
| C3 | C10 | N2 | C11 | 177.4° | 179.5° |
| C3 | C10 | C11 | F1 | 47.2° | 175.5° |
| C3 | C10 | C11 | F2 | 164.7° | 55.5° |
| C1 | N1 | N2 | C10 | 180.0° | 179.8° |
| N1 | C1 | H7 | H8 | 120.0° | 120.0° |
| N1 | C1 | H7 | H9 | 120.0° | 120.0° |
| N1 | C1 | H8 | H9 | 120.0° | 120.0° |
| N1 | N2 | C10 | C11 | 178.1° | 180.0° |
| N2 | N1 | C1 | H7 | 0.0° | 90.0° |
| N2 | N1 | C1 | H8 | 120.0° | 150.0° |
| N2 | N1 | C1 | H9 | 120.0° | 30.0° |
| N2 | C10 | C11 | F1 | 129.7° | 5.0° |
| N2 | C10 | C11 | F2 | 12.2° | 125.0° |
| C10 | C11 | F1 | F2 | 117.1° | 120.0° |
| H3 | C5 | C6 | H4 | 1.3° | 0.0° |
| H4 | C6 | C7 | H5 | 0.1° | 0.0° |
| H5 | C7 | C8 | H6 | 1.0° | 0.1° |
| H6 | C8 | C9 | H10 | 0.5° | 0.3° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
