LNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | O1 | sing | 1.34Å | 1.25Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| O2 | C6 | doub | 1.21Å | 1.24Å | |
| C6 | O3 | sing | 1.34Å | 1.24Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 119.4° | 120.2° |
| C12 | C11 | C10 | 120.4° | 120.1° |
| C12 | C11 | H6 | 119.8° | 120.0° |
| C11 | C12 | H7 | 120.3° | 119.9° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C13 | C12 | H7 | 120.3° | 119.9° |
| C12 | C13 | H8 | 119.9° | 120.0° |
| C11 | C10 | C9 | 120.4° | 119.9° |
| C10 | C11 | H6 | 119.8° | 120.0° |
| C11 | C10 | H14 | 119.8° | 120.0° |
| C13 | C14 | C9 | 120.6° | 119.9° |
| C14 | C13 | H8 | 119.9° | 119.9° |
| C13 | C14 | H9 | 119.7° | 120.0° |
| C10 | C9 | C14 | 119.0° | 119.7° |
| C10 | C9 | C8 | 119.9° | 120.1° |
| C9 | C10 | H14 | 119.8° | 120.0° |
| C14 | C9 | C8 | 120.9° | 120.1° |
| C9 | C14 | H9 | 119.7° | 120.1° |
| C9 | C8 | C15 | 122.2° | 120.1° |
| C9 | C8 | C7 | 118.8° | 120.1° |
| C15 | C8 | C7 | 118.8° | 119.8° |
| C8 | C15 | C2 | 120.1° | 119.9° |
| C8 | C15 | H10 | 119.9° | 120.0° |
| C8 | C7 | C4 | 121.1° | 119.9° |
| C8 | C7 | H13 | 119.4° | 120.1° |
| C15 | C2 | C1 | 120.8° | 119.9° |
| C15 | C2 | C3 | 120.3° | 120.1° |
| C2 | C15 | H10 | 119.9° | 120.1° |
| C7 | C4 | C3 | 119.7° | 120.1° |
| C7 | C4 | C5 | 119.6° | 119.9° |
| C4 | C7 | H13 | 119.4° | 120.1° |
| C1 | C2 | C3 | 118.8° | 119.9° |
| C2 | C1 | C | 114.6° | 109.4° |
| C2 | C1 | H1 | 108.2° | 109.5° |
| C2 | C1 | H2 | 108.2° | 109.5° |
| C2 | C3 | C4 | 119.8° | 120.2° |
| C2 | C3 | H3 | 120.1° | 119.8° |
| C3 | C4 | C5 | 120.7° | 119.9° |
| C4 | C3 | H3 | 120.1° | 119.9° |
| C4 | C5 | C6 | 111.5° | 109.5° |
| C4 | C5 | H11 | 109.0° | 109.5° |
| C4 | C5 | H12 | 109.0° | 109.5° |
| C1 | C | O | 117.9° | 120.0° |
| C1 | C | O1 | 121.0° | 120.0° |
| C | C1 | H1 | 108.2° | 109.4° |
| C | C1 | H2 | 108.2° | 109.5° |
| O | C | O1 | 121.0° | 120.0° |
| C | O1 | H4 | 109.5° | 117.0° |
| C5 | C6 | O2 | 120.1° | 120.0° |
| C5 | C6 | O3 | 118.5° | 120.0° |
| C6 | C5 | H11 | 109.0° | 109.5° |
| C6 | C5 | H12 | 109.0° | 109.5° |
| O2 | C6 | O3 | 121.5° | 120.0° |
| C6 | O3 | H5 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | H6 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 1.2° | 0.1° |
| C12 | C11 | C10 | C9 | 0.8° | 0.0° |
| C11 | C12 | C13 | H8 | 178.9° | 180.0° |
| C12 | C11 | C10 | H14 | 179.2° | 179.7° |
| C13 | C12 | C11 | C10 | 1.0° | 0.1° |
| C12 | C13 | C14 | H8 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.4° | 0.1° |
| C13 | C12 | C11 | H6 | 179.0° | 179.8° |
| C12 | C13 | C14 | H9 | 179.6° | 180.0° |
| C11 | C10 | C9 | H14 | 180.0° | 179.7° |
| C11 | C10 | C9 | C14 | 2.3° | 0.0° |
| C11 | C10 | C9 | C8 | 177.4° | 180.0° |
| C10 | C11 | C12 | H7 | 179.0° | 180.0° |
| C13 | C14 | C9 | C10 | 2.1° | 0.0° |
| C13 | C14 | C9 | H9 | 180.0° | 179.9° |
| C13 | C14 | C9 | C8 | 177.1° | 180.0° |
| C14 | C13 | C12 | H7 | 178.9° | 180.0° |
| C10 | C9 | C14 | C8 | 175.0° | 180.0° |
| C10 | C9 | C8 | C15 | 40.6° | 0.0° |
| C10 | C9 | C8 | C7 | 134.9° | 180.0° |
| C9 | C10 | C11 | H6 | 179.2° | 179.7° |
| C10 | C9 | C14 | H9 | 177.8° | 180.0° |
| C14 | C9 | C8 | C15 | 144.5° | 180.0° |
| C14 | C9 | C8 | C7 | 40.0° | 0.0° |
| C9 | C14 | C13 | H8 | 179.6° | 180.0° |
| C14 | C9 | C10 | H14 | 177.7° | 179.7° |
| C9 | C8 | C15 | C7 | 175.5° | 179.9° |
| C9 | C8 | C15 | C2 | 177.7° | 180.0° |
| C9 | C8 | C7 | C4 | 179.2° | 179.8° |
| C8 | C9 | C14 | H9 | 2.8° | 0.0° |
| C9 | C8 | C15 | H10 | 2.3° | 0.0° |
| C9 | C8 | C7 | H13 | 0.8° | 0.1° |
| C8 | C9 | C10 | H14 | 2.6° | 0.3° |
| C8 | C15 | C2 | H10 | 180.0° | 180.0° |
| C15 | C8 | C7 | C4 | 3.5° | 0.3° |
| C8 | C15 | C2 | C1 | 178.0° | 179.9° |
| C8 | C15 | C2 | C3 | 1.6° | 0.3° |
| C15 | C8 | C7 | H13 | 176.5° | 180.0° |
| C7 | C8 | C15 | C2 | 2.2° | 0.0° |
| C8 | C7 | C4 | H13 | 180.0° | 179.7° |
| C8 | C7 | C4 | C3 | 4.2° | 0.3° |
| C8 | C7 | C4 | C5 | 179.0° | 179.7° |
| C7 | C8 | C15 | H10 | 177.8° | 180.0° |
| C15 | C2 | C1 | C3 | 176.5° | 179.6° |
| C15 | C2 | C3 | C4 | 2.2° | 0.3° |
| C15 | C2 | C1 | C | 79.7° | 90.3° |
| C15 | C2 | C1 | H1 | 41.0° | 29.6° |
| C15 | C2 | C1 | H2 | 159.5° | 149.7° |
| C15 | C2 | C3 | H3 | 177.8° | 179.7° |
| C7 | C4 | C3 | C2 | 3.5° | 0.0° |
| C7 | C4 | C3 | C5 | 176.8° | 180.0° |
| C7 | C4 | C5 | C6 | 102.1° | 90.0° |
| C7 | C4 | C3 | H3 | 176.6° | 179.9° |
| C7 | C4 | C5 | H11 | 137.6° | 150.0° |
| C7 | C4 | C5 | H12 | 18.2° | 30.0° |
| C1 | C2 | C3 | C4 | 178.7° | 179.9° |
| C2 | C1 | C | H1 | 120.7° | 120.0° |
| C2 | C1 | C | H2 | 120.7° | 120.0° |
| C2 | C1 | C | O | 158.4° | 0.0° |
| C2 | C1 | C | O1 | 23.2° | 180.0° |
| C2 | C1 | H1 | H2 | 117.7° | 120.1° |
| C1 | C2 | C3 | H3 | 1.3° | 0.0° |
| C1 | C2 | C15 | H10 | 1.9° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | C2 | C1 | C | 103.8° | 90.0° |
| C3 | C2 | C1 | H1 | 135.4° | 150.0° |
| C3 | C2 | C1 | H2 | 17.0° | 30.0° |
| C3 | C2 | C15 | H10 | 178.4° | 179.8° |
| C3 | C4 | C5 | C6 | 81.1° | 90.0° |
| C3 | C4 | C5 | H11 | 39.2° | 30.0° |
| C3 | C4 | C5 | H12 | 158.6° | 150.0° |
| C3 | C4 | C7 | H13 | 175.8° | 180.0° |
| C4 | C5 | C6 | H11 | 120.3° | 120.0° |
| C4 | C5 | C6 | H12 | 120.3° | 120.0° |
| C4 | C5 | C6 | O2 | 58.4° | 0.0° |
| C4 | C5 | C6 | O3 | 121.1° | 180.0° |
| C5 | C4 | C3 | H3 | 0.3° | 0.1° |
| C4 | C5 | H11 | H12 | 119.1° | 120.0° |
| C5 | C4 | C7 | H13 | 1.0° | 0.0° |
| C1 | C | O | O1 | 178.4° | 180.0° |
| C | C1 | H1 | H2 | 117.7° | 120.0° |
| C1 | C | O1 | H4 | 178.4° | 180.0° |
| O | C | C1 | H1 | 37.6° | 120.0° |
| O | C | C1 | H2 | 80.9° | 120.0° |
| O | C | O1 | H4 | 0.0° | 0.0° |
| O1 | C | C1 | H1 | 143.9° | 60.0° |
| O1 | C | C1 | H2 | 97.5° | 60.0° |
| C5 | C6 | O2 | O3 | 179.6° | 180.0° |
| C5 | C6 | O3 | H5 | 179.6° | 180.0° |
| C6 | C5 | H11 | H12 | 119.1° | 120.0° |
| O2 | C6 | O3 | H5 | 0.0° | 0.0° |
| O2 | C6 | C5 | H11 | 178.8° | 120.0° |
| O2 | C6 | C5 | H12 | 61.9° | 120.0° |
| O3 | C6 | C5 | H11 | 0.8° | 60.0° |
| O3 | C6 | C5 | H12 | 118.6° | 60.0° |
| H6 | C11 | C12 | H7 | 1.0° | 0.3° |
| H6 | C11 | C10 | H14 | 0.8° | 0.0° |
| H7 | C12 | C13 | H8 | 1.1° | 0.0° |
| H8 | C13 | C14 | H9 | 0.4° | 0.0° |
