TC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S2 | sing | 1.81Å | 1.78Å | |
| S2 | C3 | sing | 1.76Å | 1.75Å | |
| C3 | N4 | doub | 1.31Å | 1.34Å | |
| C3 | N13 | sing | 1.37Å | 1.40Å | |
| N4 | C5 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.39Å | |
| C11 | O12 | doub | 1.22Å | 1.23Å | |
| C11 | N13 | sing | 1.35Å | 1.40Å | |
| N13 | C14 | sing | 1.40Å | 1.40Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | F16 | sing | 1.35Å | 1.35Å | |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | F21 | sing | 1.35Å | 1.35Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S2 | C3 | 106.0° | 100.0° |
| S2 | C1 | H1 | 109.5° | 109.5° |
| S2 | C1 | H1A | 109.5° | 109.5° |
| S2 | C1 | H1B | 109.5° | 109.5° |
| S2 | C3 | N4 | 119.4° | 118.5° |
| S2 | C3 | N13 | 119.9° | 118.5° |
| N4 | C3 | N13 | 120.6° | 123.0° |
| C3 | N4 | C5 | 121.5° | 121.6° |
| C3 | N13 | C11 | 118.7° | 120.4° |
| C3 | N13 | C14 | 120.2° | 119.8° |
| N4 | C5 | C6 | 119.6° | 121.5° |
| N4 | C5 | C10 | 120.5° | 119.2° |
| C6 | C5 | C10 | 119.9° | 119.3° |
| C5 | C6 | C7 | 120.0° | 119.7° |
| C5 | C6 | H6 | 120.0° | 120.2° |
| C5 | C10 | C9 | 120.2° | 120.0° |
| C5 | C10 | C11 | 119.5° | 118.2° |
| C6 | C7 | C8 | 120.1° | 120.8° |
| C7 | C6 | H6 | 120.0° | 120.2° |
| C6 | C7 | H7 | 119.9° | 119.5° |
| C7 | C8 | C9 | 119.9° | 120.6° |
| C8 | C7 | H7 | 120.0° | 119.6° |
| C7 | C8 | H8 | 120.0° | 119.7° |
| C8 | C9 | C10 | 119.9° | 119.5° |
| C9 | C8 | H8 | 120.1° | 119.7° |
| C8 | C9 | H9 | 120.1° | 120.2° |
| C9 | C10 | C11 | 120.3° | 121.8° |
| C10 | C9 | H9 | 120.0° | 120.2° |
| C10 | C11 | O12 | 120.4° | 121.3° |
| C10 | C11 | N13 | 119.1° | 117.5° |
| O12 | C11 | N13 | 120.5° | 121.2° |
| C11 | N13 | C14 | 121.0° | 119.8° |
| N13 | C14 | C15 | 119.9° | 120.1° |
| N13 | C14 | C20 | 120.6° | 120.1° |
| C15 | C14 | C20 | 119.4° | 119.9° |
| C14 | C15 | F16 | 120.2° | 120.1° |
| C14 | C15 | C17 | 120.3° | 119.9° |
| C14 | C20 | C19 | 120.4° | 119.9° |
| C14 | C20 | F21 | 120.5° | 120.1° |
| F16 | C15 | C17 | 119.5° | 120.0° |
| C15 | C17 | C18 | 120.2° | 120.1° |
| C15 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.1° |
| C18 | C17 | H17 | 119.9° | 119.9° |
| C17 | C18 | H18 | 120.1° | 119.9° |
| C18 | C19 | C20 | 120.0° | 120.1° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | H19 | 120.0° | 119.9° |
| C19 | C20 | F21 | 119.1° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | S2 | C3 | N4 | 6.3° | 0.0° |
| C1 | S2 | C3 | N13 | 173.7° | 179.7° |
| S2 | C1 | H1 | H1A | 120.0° | 120.0° |
| S2 | C1 | H1 | H1B | 120.0° | 120.0° |
| S2 | C1 | H1A | H1B | 120.0° | 120.0° |
| S2 | C3 | N4 | N13 | 179.9° | 179.7° |
| S2 | C3 | N4 | C5 | 179.9° | 180.0° |
| S2 | C3 | N13 | C11 | 180.0° | 179.8° |
| S2 | C3 | N13 | C14 | 0.2° | 0.0° |
| C3 | S2 | C1 | H1 | 85.7° | 180.0° |
| C3 | S2 | C1 | H1A | 154.3° | 60.0° |
| C3 | S2 | C1 | H1B | 34.3° | 60.0° |
| C3 | N4 | C5 | C6 | 179.4° | 180.0° |
| C3 | N4 | C5 | C10 | 0.1° | 0.0° |
| N4 | C3 | N13 | C11 | 0.1° | 0.5° |
| N4 | C3 | N13 | C14 | 179.8° | 179.7° |
| N13 | C3 | N4 | C5 | 0.1° | 0.3° |
| C3 | N13 | C11 | C10 | 0.2° | 0.5° |
| C3 | N13 | C11 | O12 | 178.8° | 179.7° |
| C3 | N13 | C11 | C14 | 179.8° | 179.8° |
| C3 | N13 | C14 | C15 | 87.0° | 90.0° |
| C3 | N13 | C14 | C20 | 92.7° | 90.3° |
| N4 | C5 | C6 | C10 | 179.5° | 179.9° |
| N4 | C5 | C6 | C7 | 179.4° | 180.0° |
| N4 | C5 | C10 | C9 | 179.4° | 180.0° |
| N4 | C5 | C10 | C11 | 0.1° | 0.0° |
| N4 | C5 | C6 | H6 | 0.6° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C6 | C5 | C10 | C9 | 0.1° | 0.0° |
| C6 | C5 | C10 | C11 | 179.5° | 179.9° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C10 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C10 | C9 | C8 | 0.0° | 0.1° |
| C5 | C10 | C9 | C11 | 179.5° | 180.0° |
| C5 | C10 | C11 | O12 | 178.8° | 180.0° |
| C5 | C10 | C11 | N13 | 0.2° | 0.2° |
| C10 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C10 | C9 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 179.4° | 179.9° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C9 | C10 | C11 | O12 | 1.7° | 0.0° |
| C9 | C10 | C11 | N13 | 179.3° | 179.8° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C10 | C11 | O12 | N13 | 179.0° | 179.8° |
| C10 | C11 | N13 | C14 | 180.0° | 179.8° |
| C11 | C10 | C9 | H9 | 0.6° | 0.0° |
| O12 | C11 | N13 | C14 | 1.0° | 0.0° |
| C11 | N13 | C14 | C15 | 92.8° | 89.8° |
| C11 | N13 | C14 | C20 | 87.6° | 90.0° |
| N13 | C14 | C15 | C20 | 179.7° | 179.8° |
| N13 | C14 | C15 | F16 | 0.1° | 0.1° |
| N13 | C14 | C15 | C17 | 179.8° | 180.0° |
| N13 | C14 | C20 | C19 | 179.9° | 179.7° |
| N13 | C14 | C20 | F21 | 1.1° | 0.0° |
| C14 | C15 | F16 | C17 | 179.9° | 179.9° |
| C14 | C15 | C17 | C18 | 0.1° | 0.1° |
| C15 | C14 | C20 | C19 | 0.3° | 0.5° |
| C15 | C14 | C20 | F21 | 178.5° | 179.8° |
| C14 | C15 | C17 | H17 | 179.9° | 180.0° |
| C20 | C14 | C15 | F16 | 179.8° | 179.7° |
| C20 | C14 | C15 | C17 | 0.1° | 0.2° |
| C14 | C20 | C19 | C18 | 0.2° | 0.5° |
| C14 | C20 | C19 | F21 | 178.8° | 179.7° |
| C14 | C20 | C19 | H19 | 179.8° | 179.7° |
| F16 | C15 | C17 | C18 | 179.9° | 180.0° |
| F16 | C15 | C17 | H17 | 0.1° | 0.1° |
| C15 | C17 | C18 | H17 | 180.0° | 179.9° |
| C15 | C17 | C18 | C19 | 0.1° | 0.1° |
| C15 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | F21 | 178.6° | 179.8° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.7° |
| F21 | C20 | C19 | H19 | 1.4° | 0.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 0.0° | 0.1° |
| H8 | C8 | C9 | H9 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.1° |
