FT3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O18 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C14 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| O7 | C8 | sing | 1.36Å | 1.38Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | CL17 | sing | 1.74Å | 1.79Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | CL16 | sing | 1.74Å | 1.78Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.4° | 119.9° |
| C2 | C1 | O7 | 118.8° | 120.1° |
| C1 | C2 | C3 | 120.4° | 119.9° |
| C1 | C2 | O18 | 119.5° | 120.1° |
| C6 | C1 | O7 | 121.7° | 120.0° |
| C1 | C6 | C5 | 120.0° | 119.9° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C1 | O7 | C8 | 120.5° | 118.0° |
| C3 | C2 | O18 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.1° |
| C2 | O18 | HO18 | 109.5° | 114.0° |
| C3 | C4 | C5 | 119.1° | 120.2° |
| C3 | C4 | C14 | 118.2° | 119.9° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C5 | C4 | C14 | 122.8° | 119.9° |
| C4 | C5 | C6 | 120.4° | 120.2° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C4 | C14 | O15 | 112.0° | 109.5° |
| C4 | C14 | H14 | 108.6° | 109.5° |
| C4 | C14 | H14A | 108.6° | 109.5° |
| C6 | C5 | H5 | 119.8° | 119.9° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| O7 | C8 | C9 | 119.8° | 120.1° |
| O7 | C8 | C13 | 120.7° | 120.0° |
| C9 | C8 | C13 | 119.4° | 119.9° |
| C8 | C9 | C10 | 120.5° | 120.0° |
| C8 | C9 | CL17 | 122.2° | 120.0° |
| C8 | C13 | C12 | 120.7° | 120.0° |
| C8 | C13 | H13 | 119.6° | 120.0° |
| C10 | C9 | CL17 | 117.3° | 120.0° |
| C9 | C10 | C11 | 119.3° | 120.0° |
| C9 | C10 | H10 | 120.4° | 120.0° |
| C10 | C11 | C12 | 121.7° | 120.1° |
| C10 | C11 | CL16 | 117.3° | 120.0° |
| C11 | C10 | H10 | 120.4° | 120.0° |
| C12 | C11 | CL16 | 121.0° | 119.9° |
| C11 | C12 | C13 | 118.4° | 120.1° |
| C11 | C12 | H12 | 120.8° | 120.0° |
| C13 | C12 | H12 | 120.8° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| O15 | C14 | H14 | 108.6° | 109.5° |
| O15 | C14 | H14A | 108.6° | 109.4° |
| C14 | O15 | HO15 | 109.5° | 114.1° |
| H14 | C14 | H14A | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 178.7° | 179.7° |
| C1 | C2 | C3 | O18 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | O7 | C8 | 87.1° | 81.2° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C6 | H6 | 179.6° | 179.9° |
| C1 | C2 | O18 | HO18 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.0° |
| C6 | C1 | C2 | O18 | 178.6° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | O7 | C8 | 91.6° | 99.1° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| O7 | C1 | C2 | C3 | 179.5° | 179.7° |
| O7 | C1 | C2 | O18 | 0.1° | 0.3° |
| O7 | C1 | C6 | C5 | 179.1° | 179.7° |
| C1 | O7 | C8 | C9 | 172.7° | 174.1° |
| C1 | O7 | C8 | C13 | 6.4° | 5.7° |
| O7 | C1 | C6 | H6 | 0.9° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | C14 | 180.0° | 180.0° |
| C3 | C2 | O18 | HO18 | 0.7° | 90.1° |
| O18 | C2 | C3 | C4 | 179.0° | 180.0° |
| O18 | C2 | C3 | H3 | 1.0° | 0.0° |
| C3 | C4 | C5 | C14 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C14 | O15 | 158.4° | 90.0° |
| C3 | C4 | C5 | H5 | 179.3° | 179.9° |
| C3 | C4 | C14 | H14 | 81.6° | 150.0° |
| C3 | C4 | C14 | H14A | 38.5° | 29.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C14 | O15 | 22.0° | 90.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 179.9° |
| C5 | C4 | C14 | H14 | 98.0° | 30.0° |
| C5 | C4 | C14 | H14A | 141.9° | 150.0° |
| C14 | C4 | C5 | C6 | 179.7° | 180.0° |
| C4 | C14 | O15 | H14 | 120.0° | 120.0° |
| C4 | C14 | O15 | H14A | 120.0° | 120.0° |
| C14 | C4 | C3 | H3 | 0.0° | 0.0° |
| C14 | C4 | C5 | H5 | 0.3° | 0.0° |
| C4 | C14 | H14 | H14A | 119.0° | 120.0° |
| C4 | C14 | O15 | HO15 | 180.0° | 180.0° |
| O7 | C8 | C9 | C13 | 179.0° | 179.8° |
| O7 | C8 | C9 | C10 | 179.2° | 179.9° |
| O7 | C8 | C9 | CL17 | 0.4° | 0.0° |
| O7 | C8 | C13 | C12 | 178.8° | 179.6° |
| O7 | C8 | C13 | H13 | 1.2° | 0.0° |
| C8 | C9 | C10 | CL17 | 179.6° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.6° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| C9 | C8 | C13 | H13 | 179.8° | 179.8° |
| C13 | C8 | C9 | C10 | 0.1° | 0.3° |
| C13 | C8 | C9 | CL17 | 179.5° | 179.7° |
| C8 | C13 | C12 | C11 | 0.2° | 0.6° |
| C8 | C13 | C12 | H13 | 180.0° | 179.6° |
| C8 | C13 | C12 | H12 | 179.8° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C9 | C10 | C11 | CL16 | 179.8° | 180.0° |
| CL17 | C9 | C10 | C11 | 179.1° | 180.0° |
| CL17 | C9 | C10 | H10 | 0.9° | 0.1° |
| C10 | C11 | C12 | CL16 | 179.7° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C12 | C11 | C10 | H10 | 179.5° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 179.7° |
| CL16 | C11 | C12 | C13 | 179.8° | 179.7° |
| CL16 | C11 | C10 | H10 | 0.2° | 0.0° |
| CL16 | C11 | C12 | H12 | 0.2° | 0.0° |
| O15 | C14 | H14 | H14A | 119.0° | 119.9° |
| H5 | C5 | C6 | H6 | 0.3° | 0.1° |
| H12 | C12 | C13 | H13 | 0.2° | 0.1° |
| H14 | C14 | O15 | HO15 | 60.0° | 60.0° |
| H14A | C14 | O15 | HO15 | 60.0° | 60.0° |
