FT0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | O16 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C14 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | 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 | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | O15 | doub | 1.21Å | 1.21Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.7° | 120.2° |
| C2 | C1 | O7 | 117.9° | 119.9° |
| C1 | C2 | C3 | 120.7° | 120.0° |
| C1 | C2 | O16 | 118.9° | 120.0° |
| C6 | C1 | O7 | 122.5° | 119.9° |
| C1 | C6 | C5 | 120.1° | 120.2° |
| C1 | C6 | H6 | 120.0° | 119.9° |
| C1 | O7 | C8 | 119.5° | 118.0° |
| C3 | C2 | O16 | 120.4° | 120.0° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C2 | C3 | H3 | 120.1° | 120.1° |
| C2 | O16 | HO16 | 109.5° | 113.9° |
| C3 | C4 | C5 | 120.3° | 119.8° |
| C3 | C4 | C14 | 118.8° | 120.1° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C5 | C4 | C14 | 120.9° | 120.1° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C4 | C14 | O15 | 117.2° | 120.0° |
| C4 | C14 | H14 | 121.4° | 120.0° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| O7 | C8 | C9 | 120.0° | 120.1° |
| O7 | C8 | C13 | 120.6° | 120.0° |
| C9 | C8 | C13 | 119.4° | 119.9° |
| C8 | C9 | C10 | 120.0° | 119.9° |
| C8 | C9 | H9 | 120.0° | 120.1° |
| C8 | C13 | C12 | 120.6° | 119.9° |
| C8 | C13 | H13 | 119.7° | 120.0° |
| C9 | C10 | C11 | 120.5° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | H10 | 119.8° | 119.9° |
| C10 | C11 | C12 | 119.4° | 120.1° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | H11 | 120.3° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | H11 | 120.3° | 119.9° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| O15 | C14 | H14 | 121.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 179.7° | 179.7° |
| C1 | C2 | C3 | O16 | 179.8° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | O7 | C8 | 103.9° | 179.1° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C1 | C2 | O16 | HO16 | 180.0° | 90.1° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | O16 | 179.7° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | O7 | C8 | 75.9° | 0.6° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| O7 | C1 | C2 | C3 | 179.9° | 179.7° |
| O7 | C1 | C2 | O16 | 0.0° | 0.4° |
| O7 | C1 | C6 | C5 | 179.9° | 179.7° |
| C1 | O7 | C8 | C9 | 162.8° | 90.0° |
| C1 | O7 | C8 | C13 | 16.6° | 90.3° |
| O7 | C1 | C6 | H6 | 0.1° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C14 | 179.2° | 180.0° |
| C3 | C2 | O16 | HO16 | 0.1° | 90.0° |
| O16 | C2 | C3 | C4 | 179.8° | 179.9° |
| O16 | C2 | C3 | H3 | 0.2° | 0.0° |
| C3 | C4 | C5 | C14 | 179.3° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C14 | O15 | 116.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C14 | H14 | 63.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C14 | O15 | 63.8° | 0.1° |
| C5 | C4 | C3 | H3 | 179.8° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C14 | H14 | 116.2° | 180.0° |
| C14 | C4 | C5 | C6 | 179.2° | 180.0° |
| C4 | C14 | O15 | H14 | 180.0° | 179.9° |
| C14 | C4 | C3 | H3 | 0.8° | 0.0° |
| C14 | C4 | C5 | H5 | 0.8° | 0.1° |
| O7 | C8 | C9 | C13 | 179.4° | 179.7° |
| O7 | C8 | C9 | C10 | 179.8° | 180.0° |
| O7 | C8 | C13 | C12 | 179.1° | 179.8° |
| O7 | C8 | C9 | H9 | 0.2° | 0.1° |
| O7 | C8 | C13 | H13 | 0.9° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.8° | 0.0° |
| C9 | C8 | C13 | C12 | 0.3° | 0.6° |
| C8 | C9 | C10 | H10 | 179.2° | 180.0° |
| C9 | C8 | C13 | H13 | 179.6° | 179.7° |
| C13 | C8 | C9 | C10 | 0.4° | 0.3° |
| C8 | C13 | C12 | C11 | 0.6° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C13 | C8 | C9 | H9 | 179.6° | 179.8° |
| C8 | C13 | C12 | H12 | 179.3° | 179.6° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.1° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.2° |
| C11 | C10 | C9 | H9 | 179.2° | 179.9° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C12 | C11 | C10 | H10 | 179.5° | 180.0° |
| C11 | C12 | C13 | H13 | 179.3° | 179.7° |
| C13 | C12 | C11 | H11 | 179.8° | 179.7° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H9 | C9 | C10 | H10 | 0.8° | 0.0° |
| H10 | C10 | C11 | H11 | 0.5° | 0.0° |
| H11 | C11 | C12 | H12 | 0.3° | 0.1° |
| H12 | C12 | C13 | H13 | 0.7° | 0.1° |
