LU2
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 | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| O1 | C2 | sing | 1.36Å | 1.33Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | O3 | doub | 1.22Å | 1.25Å | |
| C5 | C4 | sing | 1.40Å | 1.45Å | Aromatic |
| O4 | C6 | sing | 1.35Å | 1.38Å | |
| O4 | C9 | sing | 1.34Å | 1.39Å | |
| C6 | C5 | doub | 1.41Å | 1.45Å | Aromatic |
| C5 | C7 | sing | 1.47Å | 1.42Å | |
| C12 | O5 | sing | 1.36Å | 1.35Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | C13 | sing | 1.36Å | 1.35Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | sing | 1.42Å | 1.42Å | |
| C9 | C8 | doub | 1.36Å | 1.45Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | sing | 1.48Å | 1.41Å | |
| C15 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | O1 | 116.2° | 119.6° |
| C1 | C2 | C3 | 122.8° | 120.7° |
| C6 | C1 | H1 | 119.9° | 119.9° |
| C1 | C6 | O4 | 114.7° | 120.8° |
| C1 | C6 | C5 | 120.2° | 119.4° |
| C2 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C2 | C3 | 121.0° | 119.7° |
| C2 | C3 | C4 | 118.9° | 120.1° |
| C2 | C3 | H3 | 120.5° | 119.9° |
| C4 | O2 | HO2 | 109.5° | 113.9° |
| O2 | C4 | C3 | 116.9° | 120.3° |
| O2 | C4 | C5 | 123.5° | 120.2° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | 119.5° | 119.5° |
| O3 | C7 | C5 | 121.6° | 121.3° |
| O3 | C7 | C8 | 120.4° | 121.3° |
| C4 | C5 | C6 | 118.4° | 120.2° |
| C4 | C5 | C7 | 123.7° | 121.3° |
| C6 | O4 | C9 | 116.4° | 122.3° |
| O4 | C6 | C5 | 125.1° | 119.8° |
| O4 | C9 | C8 | 121.8° | 122.5° |
| O4 | C9 | C10 | 115.6° | 118.8° |
| C6 | C5 | C7 | 117.9° | 118.5° |
| C5 | C7 | C8 | 118.0° | 117.4° |
| C12 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C12 | C11 | 121.1° | 120.0° |
| O5 | C12 | C13 | 118.5° | 120.0° |
| C13 | O6 | HO6 | 109.5° | 114.0° |
| O6 | C13 | C12 | 118.6° | 119.9° |
| O6 | C13 | C14 | 119.9° | 119.9° |
| C7 | C8 | C9 | 120.8° | 119.5° |
| C7 | C8 | H8 | 119.6° | 120.2° |
| C9 | C8 | H8 | 119.6° | 120.3° |
| C8 | C9 | C10 | 122.6° | 118.7° |
| C9 | C10 | C15 | 119.7° | 120.1° |
| C9 | C10 | C11 | 120.3° | 120.0° |
| C15 | C10 | C11 | 120.0° | 119.9° |
| C10 | C15 | C14 | 120.6° | 120.0° |
| C10 | C15 | H15 | 119.7° | 120.0° |
| C10 | C11 | C12 | 118.8° | 119.8° |
| C10 | C11 | H11 | 120.6° | 120.1° |
| C12 | C11 | H11 | 120.6° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C12 | C13 | C14 | 121.5° | 120.2° |
| C13 | C14 | C15 | 118.8° | 120.1° |
| C13 | C14 | H14 | 120.6° | 119.9° |
| C15 | C14 | H14 | 120.6° | 119.9° |
| C14 | C15 | H15 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | O1 | C3 | 179.0° | 180.0° |
| C1 | C2 | O1 | HO1 | 180.0° | 90.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C1 | C2 | C3 | H3 | 178.7° | 180.0° |
| C2 | C1 | C6 | O4 | 178.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.8° | 0.0° |
| C6 | C1 | C2 | O1 | 177.9° | 180.0° |
| C6 | C1 | C2 | C3 | 1.1° | 0.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.1° |
| C1 | C6 | O4 | C5 | 179.3° | 179.9° |
| C1 | C6 | O4 | C9 | 179.8° | 180.0° |
| C1 | C6 | C5 | C7 | 179.8° | 180.0° |
| H1 | C1 | C2 | O1 | 2.1° | 0.2° |
| H1 | C1 | C2 | C3 | 178.9° | 179.7° |
| H1 | C1 | C6 | O4 | 1.5° | 0.3° |
| H1 | C1 | C6 | C5 | 179.2° | 179.8° |
| O1 | C2 | C3 | C4 | 177.7° | 179.9° |
| O1 | C2 | C3 | H3 | 2.3° | 0.0° |
| HO1 | O1 | C2 | C3 | 1.0° | 90.0° |
| C2 | C3 | C4 | O2 | 179.4° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.2° | 0.1° |
| O2 | C4 | C3 | C5 | 179.4° | 179.9° |
| O2 | C4 | C3 | H3 | 0.6° | 0.1° |
| O2 | C4 | C5 | C6 | 179.7° | 180.0° |
| O2 | C4 | C5 | C7 | 0.7° | 0.1° |
| HO2 | O2 | C4 | C3 | 179.5° | 90.0° |
| HO2 | O2 | C4 | C5 | 0.1° | 90.1° |
| C3 | C4 | C5 | C6 | 1.0° | 0.1° |
| C3 | C4 | C5 | C7 | 179.9° | 180.0° |
| H3 | C3 | C4 | C5 | 178.8° | 180.0° |
| O3 | C7 | C5 | C4 | 1.3° | 0.1° |
| O3 | C7 | C5 | C6 | 179.7° | 180.0° |
| O3 | C7 | C5 | C8 | 179.8° | 179.9° |
| O3 | C7 | C8 | C9 | 179.6° | 180.0° |
| O3 | C7 | C8 | H8 | 0.4° | 0.1° |
| C4 | C5 | C6 | O4 | 178.5° | 180.0° |
| C4 | C5 | C6 | C7 | 179.0° | 179.9° |
| C4 | C5 | C7 | C8 | 178.4° | 180.0° |
| O4 | C6 | C5 | C7 | 0.5° | 0.1° |
| C6 | O4 | C9 | C8 | 0.6° | 0.1° |
| C6 | O4 | C9 | C10 | 179.3° | 180.0° |
| C9 | O4 | C6 | C5 | 0.6° | 0.1° |
| O4 | C9 | C8 | C7 | 0.7° | 0.1° |
| O4 | C9 | C8 | C10 | 179.9° | 179.9° |
| O4 | C9 | C8 | H8 | 179.4° | 180.0° |
| O4 | C9 | C10 | C15 | 20.5° | 179.7° |
| O4 | C9 | C10 | C11 | 159.8° | 0.0° |
| C6 | C5 | C7 | C8 | 0.5° | 0.1° |
| C5 | C7 | C8 | C9 | 0.6° | 0.1° |
| C5 | C7 | C8 | H8 | 179.4° | 180.0° |
| O5 | C12 | C13 | O6 | 0.8° | 0.1° |
| O5 | C12 | C11 | C10 | 179.8° | 180.0° |
| O5 | C12 | C11 | C13 | 179.7° | 180.0° |
| O5 | C12 | C11 | H11 | 0.2° | 0.0° |
| O5 | C12 | C13 | C14 | 179.4° | 179.9° |
| HO5 | O5 | C12 | C11 | 180.0° | 90.1° |
| HO5 | O5 | C12 | C13 | 0.3° | 89.9° |
| O6 | C13 | C12 | C11 | 179.5° | 179.9° |
| O6 | C13 | C12 | C14 | 179.9° | 179.9° |
| O6 | C13 | C14 | C15 | 178.4° | 179.7° |
| O6 | C13 | C14 | H14 | 1.6° | 0.1° |
| HO6 | O6 | C13 | C12 | 180.0° | 90.1° |
| HO6 | O6 | C13 | C14 | 0.1° | 90.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.3° | 180.0° |
| C8 | C9 | C10 | C15 | 159.6° | 0.2° |
| C8 | C9 | C10 | C11 | 20.2° | 179.9° |
| H8 | C8 | C9 | C10 | 0.7° | 0.1° |
| C9 | C10 | C15 | C11 | 179.8° | 179.7° |
| C9 | C10 | C11 | C12 | 179.5° | 180.0° |
| C9 | C10 | C11 | H11 | 0.5° | 0.0° |
| C9 | C10 | C15 | C14 | 179.4° | 179.7° |
| C9 | C10 | C15 | H15 | 0.6° | 0.3° |
| C15 | C10 | C11 | C12 | 0.3° | 0.3° |
| C15 | C10 | C11 | H11 | 179.7° | 179.7° |
| C10 | C15 | C14 | C13 | 1.7° | 0.7° |
| C10 | C15 | C14 | H15 | 180.0° | 179.4° |
| C10 | C15 | C14 | H14 | 178.3° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C11 | C10 | C15 | C14 | 0.8° | 0.6° |
| C11 | C10 | C15 | H15 | 179.1° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| H11 | C11 | C12 | C13 | 179.5° | 180.0° |
| C12 | C13 | C14 | C15 | 1.5° | 0.4° |
| C12 | C13 | C14 | H14 | 178.5° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | H15 | 178.3° | 180.0° |
| H14 | C14 | C15 | H15 | 1.7° | 0.3° |
