UWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C4 | sing | 1.48Å | 1.41Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | |
| C4 | C4A | sing | 1.47Å | 1.40Å | |
| C3 | C2 | sing | 1.41Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | O8 | sing | 1.34Å | 1.37Å | |
| O8 | C8A | sing | 1.35Å | 1.37Å | |
| C8A | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C8A | C4A | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C4A | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.39Å | Aromatic |
| C6 | CL | sing | 1.74Å | 1.73Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | O7 | sing | 1.36Å | 1.37Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C11 | 120.6° | 119.9° |
| C16 | C15 | C14 | 119.9° | 120.1° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C16 | C11 | C12 | 118.9° | 119.7° |
| C16 | C11 | C4 | 121.8° | 120.1° |
| C11 | C16 | H16 | 119.7° | 120.1° |
| C15 | C14 | C13 | 119.9° | 120.3° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C15 | C14 | H14 | 120.1° | 119.8° |
| C14 | C13 | C12 | 120.0° | 120.1° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| C13 | C12 | C11 | 120.6° | 119.9° |
| C12 | C13 | H13 | 120.0° | 119.9° |
| C13 | C12 | H12 | 119.7° | 120.1° |
| C12 | C11 | C4 | 119.4° | 120.2° |
| C11 | C12 | H12 | 119.7° | 120.1° |
| C11 | C4 | C3 | 118.1° | 121.1° |
| C11 | C4 | C4A | 124.4° | 121.1° |
| C3 | C4 | C4A | 117.5° | 117.9° |
| C4 | C3 | C2 | 120.8° | 119.5° |
| C4 | C3 | H3 | 119.6° | 120.2° |
| C4 | C4A | C8A | 119.8° | 118.9° |
| C4 | C4A | C5 | 121.4° | 121.0° |
| C3 | C2 | O2 | 118.7° | 119.1° |
| C3 | C2 | O8 | 122.0° | 121.9° |
| C2 | C3 | H3 | 119.6° | 120.3° |
| O2 | C2 | O8 | 119.3° | 119.1° |
| C2 | O8 | C8A | 117.6° | 121.9° |
| O8 | C8A | C8 | 117.6° | 120.6° |
| O8 | C8A | C4A | 122.4° | 120.0° |
| C8 | C8A | C4A | 120.0° | 119.4° |
| C8A | C8 | C7 | 121.2° | 119.8° |
| C8A | C8 | H8 | 119.4° | 120.1° |
| C8A | C4A | C5 | 118.7° | 120.1° |
| C8 | C7 | C6 | 118.5° | 120.6° |
| C8 | C7 | O7 | 120.8° | 119.7° |
| C7 | C8 | H8 | 119.4° | 120.2° |
| C4A | C5 | C6 | 121.1° | 119.8° |
| C4A | C5 | H5 | 119.4° | 120.1° |
| C5 | C6 | CL | 118.1° | 119.8° |
| C5 | C6 | C7 | 120.4° | 120.3° |
| C6 | C5 | H5 | 119.5° | 120.1° |
| CL | C6 | C7 | 121.5° | 119.9° |
| C6 | C7 | O7 | 120.7° | 119.7° |
| C7 | O7 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C11 | H16 | 180.0° | 179.7° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | C16 | C11 | C12 | 0.9° | 0.0° |
| C15 | C16 | C11 | C4 | 179.7° | 180.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C11 | C16 | C15 | C14 | 0.7° | 0.0° |
| C16 | C11 | C12 | C13 | 0.7° | 0.0° |
| C16 | C11 | C12 | C4 | 178.8° | 179.9° |
| C16 | C11 | C4 | C3 | 138.0° | 65.1° |
| C16 | C11 | C4 | C4A | 42.1° | 115.3° |
| C11 | C16 | C15 | H15 | 179.3° | 179.9° |
| C16 | C11 | C12 | H12 | 179.4° | 179.9° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.3° | 179.8° |
| C15 | C14 | C13 | H13 | 179.9° | 180.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C13 | C14 | C15 | H15 | 179.8° | 179.9° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C4 | 179.4° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C12 | C11 | C4 | C3 | 40.7° | 115.0° |
| C12 | C11 | C4 | C4A | 139.2° | 64.6° |
| C12 | C11 | C16 | H16 | 179.1° | 179.7° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C11 | C4 | C3 | C4A | 180.0° | 179.6° |
| C11 | C4 | C3 | C2 | 179.8° | 179.9° |
| C11 | C4 | C4A | C8A | 179.9° | 179.8° |
| C11 | C4 | C4A | C5 | 0.3° | 0.1° |
| C4 | C11 | C16 | H16 | 0.3° | 0.2° |
| C4 | C11 | C12 | H12 | 0.6° | 0.1° |
| C11 | C4 | C3 | H3 | 0.1° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | O2 | 179.8° | 180.0° |
| C4 | C3 | C2 | O8 | 0.6° | 0.0° |
| C3 | C4 | C4A | C8A | 0.2° | 0.6° |
| C3 | C4 | C4A | C5 | 179.7° | 179.8° |
| C4A | C4 | C3 | C2 | 0.1° | 0.3° |
| C4 | C4A | C8A | O8 | 0.0° | 0.6° |
| C4 | C4A | C8A | C8 | 179.8° | 179.7° |
| C4 | C4A | C8A | C5 | 179.9° | 179.6° |
| C4 | C4A | C5 | C6 | 180.0° | 180.0° |
| C4A | C4 | C3 | H3 | 179.9° | 179.7° |
| C4 | C4A | C5 | H5 | 0.0° | 0.1° |
| C3 | C2 | O2 | O8 | 179.3° | 180.0° |
| C3 | C2 | O8 | C8A | 0.7° | 0.0° |
| O2 | C2 | O8 | C8A | 179.9° | 180.0° |
| O2 | C2 | C3 | H3 | 0.2° | 0.0° |
| C2 | O8 | C8A | C8 | 179.3° | 180.0° |
| C2 | O8 | C8A | C4A | 0.4° | 0.3° |
| O8 | C2 | C3 | H3 | 179.5° | 180.0° |
| O8 | C8A | C8 | C4A | 179.8° | 179.6° |
| O8 | C8A | C8 | C7 | 179.6° | 180.0° |
| O8 | C8A | C4A | C5 | 179.9° | 179.7° |
| O8 | C8A | C8 | H8 | 0.4° | 0.1° |
| C8A | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | C8A | C4A | C5 | 0.1° | 0.1° |
| C8A | C8 | C7 | C6 | 0.9° | 0.9° |
| C8A | C8 | C7 | O7 | 179.8° | 180.0° |
| C4A | C8A | C8 | C7 | 0.7° | 0.4° |
| C8A | C4A | C5 | C6 | 0.2° | 0.4° |
| C4A | C8A | C8 | H8 | 179.3° | 179.8° |
| C8A | C4A | C5 | H5 | 179.8° | 179.7° |
| C8 | C7 | C6 | C5 | 0.7° | 1.1° |
| C8 | C7 | C6 | CL | 179.5° | 179.7° |
| C8 | C7 | C6 | O7 | 178.9° | 179.2° |
| C8 | C7 | O7 | H7 | 180.0° | 90.0° |
| C4A | C5 | C6 | H5 | 180.0° | 179.9° |
| C4A | C5 | C6 | CL | 179.9° | 180.0° |
| C4A | C5 | C6 | C7 | 0.1° | 0.9° |
| C5 | C6 | CL | C7 | 179.8° | 179.2° |
| C5 | C6 | C7 | O7 | 179.5° | 179.7° |
| CL | C6 | C7 | O7 | 0.6° | 0.5° |
| CL | C6 | C5 | H5 | 0.1° | 0.1° |
| C6 | C7 | C8 | H8 | 179.1° | 179.2° |
| C7 | C6 | C5 | H5 | 179.9° | 179.2° |
| C6 | C7 | O7 | H7 | 1.1° | 89.2° |
| O7 | C7 | C8 | H8 | 0.2° | 0.1° |
| H16 | C16 | C15 | H15 | 0.7° | 0.3° |
| H15 | C15 | C14 | H14 | 0.2° | 0.0° |
| H14 | C14 | C13 | H13 | 0.1° | 0.0° |
| H13 | C13 | C12 | H12 | 0.1° | 0.1° |
