FT2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O18 | sing | 1.36Å | 1.35Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C14 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| O7 | C8 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | CL17 | sing | 1.74Å | 1.79Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | CL16 | sing | 1.74Å | 1.77Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | CL15 | sing | 1.80Å | 1.77Å | |
| 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 | |
| O18 | HO18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 119.9° |
| C2 | C1 | O7 | 117.7° | 120.0° |
| C1 | C2 | C3 | 120.7° | 119.8° |
| C1 | C2 | O18 | 119.7° | 120.1° |
| C6 | C1 | O7 | 122.0° | 120.1° |
| C1 | C6 | C5 | 118.9° | 120.0° |
| C1 | C6 | H6 | 120.6° | 120.0° |
| C1 | O7 | C8 | 118.2° | 118.0° |
| C3 | C2 | O18 | 119.6° | 120.0° |
| C2 | C3 | C4 | 119.4° | 120.0° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C2 | O18 | HO18 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.9° | 120.2° |
| C3 | C4 | C14 | 117.0° | 119.9° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| C5 | C4 | C14 | 122.1° | 119.9° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C4 | C14 | CL15 | 107.2° | 109.5° |
| C4 | C14 | H14 | 110.2° | 109.5° |
| C4 | C14 | H14A | 110.2° | 109.4° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 120.5° | 120.0° |
| O7 | C8 | C9 | 119.8° | 120.0° |
| O7 | C8 | C13 | 119.8° | 120.1° |
| C9 | C8 | C13 | 120.4° | 119.9° |
| C8 | C9 | C10 | 120.5° | 119.9° |
| C8 | C9 | CL17 | 122.5° | 120.1° |
| C8 | C13 | C12 | 119.6° | 120.0° |
| C8 | C13 | H13 | 120.2° | 120.1° |
| C10 | C9 | CL17 | 117.0° | 120.0° |
| C9 | C10 | C11 | 118.2° | 120.0° |
| C9 | C10 | H10 | 120.9° | 119.9° |
| C10 | C11 | C12 | 122.7° | 120.1° |
| C10 | C11 | CL16 | 116.8° | 119.9° |
| C11 | C10 | H10 | 120.9° | 120.0° |
| C12 | C11 | CL16 | 120.5° | 119.9° |
| C11 | C12 | C13 | 118.7° | 120.1° |
| C11 | C12 | H12 | 120.7° | 120.0° |
| C13 | C12 | H12 | 120.7° | 119.9° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| CL15 | C14 | H14 | 110.2° | 109.5° |
| CL15 | C14 | H14A | 110.2° | 109.5° |
| H14 | C14 | H14A | 108.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 178.2° | 179.8° |
| C1 | C2 | C3 | O18 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | O7 | C8 | 88.0° | 81.2° |
| C1 | C2 | C3 | H3 | 178.6° | 180.0° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C1 | C2 | O18 | HO18 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 1.4° | 0.0° |
| C6 | C1 | C2 | O18 | 178.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | O7 | C8 | 90.3° | 99.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| O7 | C1 | C2 | C3 | 179.7° | 179.7° |
| O7 | C1 | C2 | O18 | 0.5° | 0.3° |
| O7 | C1 | C6 | C5 | 178.9° | 179.8° |
| C1 | O7 | C8 | C9 | 172.5° | 174.1° |
| C1 | O7 | C8 | C13 | 5.9° | 5.6° |
| O7 | C1 | C6 | H6 | 1.1° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | C14 | 179.2° | 180.0° |
| C3 | C2 | O18 | HO18 | 0.2° | 90.0° |
| O18 | C2 | C3 | C4 | 178.7° | 180.0° |
| O18 | C2 | C3 | H3 | 1.2° | 0.0° |
| C3 | C4 | C5 | C14 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C14 | CL15 | 148.1° | 90.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C14 | H14 | 91.9° | 149.9° |
| C3 | C4 | C14 | H14A | 28.1° | 30.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C14 | CL15 | 32.0° | 90.0° |
| C5 | C4 | C3 | H3 | 179.2° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C14 | H14 | 88.0° | 30.1° |
| C5 | C4 | C14 | H14A | 151.9° | 150.0° |
| C14 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | C14 | CL15 | H14 | 120.0° | 120.1° |
| C4 | C14 | CL15 | H14A | 120.0° | 120.0° |
| C14 | C4 | C3 | H3 | 0.8° | 0.1° |
| C14 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | C14 | H14 | H14A | 120.9° | 119.9° |
| O7 | C8 | C9 | C13 | 178.4° | 179.7° |
| O7 | C8 | C9 | C10 | 178.6° | 180.0° |
| O7 | C8 | C9 | CL17 | 0.3° | 0.0° |
| O7 | C8 | C13 | C12 | 178.7° | 179.7° |
| O7 | C8 | C13 | H13 | 1.3° | 0.1° |
| C8 | C9 | C10 | CL17 | 178.9° | 179.9° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C13 | C12 | 0.3° | 0.6° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C9 | C8 | C13 | H13 | 179.7° | 179.7° |
| C13 | C8 | C9 | C10 | 0.2° | 0.4° |
| C13 | C8 | C9 | CL17 | 178.7° | 179.7° |
| C8 | C13 | C12 | C11 | 0.5° | 0.6° |
| C8 | C13 | C12 | H13 | 180.0° | 179.6° |
| C8 | C13 | C12 | H12 | 179.5° | 179.6° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C9 | C10 | C11 | CL16 | 179.5° | 180.0° |
| CL17 | C9 | C10 | C11 | 178.7° | 180.0° |
| CL17 | C9 | C10 | H10 | 1.3° | 0.0° |
| C10 | C11 | C12 | CL16 | 179.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.3° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C12 | C11 | C10 | H10 | 179.6° | 180.0° |
| C11 | C12 | C13 | H13 | 179.5° | 179.8° |
| CL16 | C11 | C12 | C13 | 179.6° | 179.7° |
| CL16 | C11 | C10 | H10 | 0.5° | 0.0° |
| CL16 | C11 | C12 | H12 | 0.4° | 0.0° |
| CL15 | C14 | H14 | H14A | 120.9° | 120.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H12 | C12 | C13 | H13 | 0.5° | 0.0° |
