LW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C4 | doub | 1.21Å | 1.20Å | |
| C4 | C5 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.44Å | Aromatic |
| C12 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C4 | C5 | 124.3° | 120.0° |
| O1 | C4 | H2 | 117.9° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.3° |
| C4 | C5 | C12 | 120.9° | 120.4° |
| C5 | C4 | H2 | 117.9° | 120.0° |
| C6 | C5 | C12 | 119.5° | 119.3° |
| C5 | C6 | C7 | 120.8° | 120.2° |
| C5 | C6 | H3 | 119.6° | 119.9° |
| C5 | C12 | C11 | 134.5° | 133.7° |
| C5 | C12 | C9 | 118.3° | 119.6° |
| C6 | C7 | C8 | 120.8° | 120.8° |
| C7 | C6 | H3 | 119.6° | 119.9° |
| C6 | C7 | H4 | 119.6° | 119.6° |
| C11 | C12 | C9 | 106.9° | 106.7° |
| C12 | C11 | C10 | 106.7° | 107.9° |
| C12 | C11 | H7 | 126.7° | 126.1° |
| C12 | C9 | C8 | 122.0° | 119.7° |
| C12 | C9 | N1 | 107.2° | 106.9° |
| C11 | C10 | N1 | 110.1° | 109.6° |
| C11 | C10 | H6 | 125.0° | 125.2° |
| C10 | C11 | H7 | 126.6° | 126.0° |
| C7 | C8 | C9 | 118.5° | 120.3° |
| C8 | C7 | H4 | 119.6° | 119.6° |
| C7 | C8 | H5 | 120.7° | 119.8° |
| C8 | C9 | N1 | 130.7° | 133.4° |
| C9 | C8 | H5 | 120.8° | 119.9° |
| C9 | N1 | C10 | 109.1° | 108.9° |
| C9 | N1 | H1 | 125.5° | 125.5° |
| C10 | N1 | H1 | 125.4° | 125.6° |
| N1 | C10 | H6 | 125.0° | 125.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C4 | C5 | H2 | 180.0° | 180.0° |
| O1 | C4 | C5 | C6 | 154.5° | 180.0° |
| O1 | C4 | C5 | C12 | 19.3° | 0.1° |
| C4 | C5 | C6 | C12 | 173.9° | 179.9° |
| C4 | C5 | C6 | C7 | 171.3° | 180.0° |
| C4 | C5 | C12 | C11 | 15.5° | 0.1° |
| C4 | C5 | C12 | C9 | 171.2° | 179.9° |
| C4 | C5 | C6 | H3 | 8.7° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C6 | C5 | C12 | C11 | 170.7° | 180.0° |
| C6 | C5 | C12 | C9 | 2.7° | 0.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.2° |
| C6 | C5 | C4 | H2 | 25.5° | 0.0° |
| C5 | C6 | C7 | H4 | 179.6° | 179.9° |
| C12 | C5 | C6 | C7 | 2.6° | 0.0° |
| C5 | C12 | C11 | C9 | 173.9° | 180.0° |
| C5 | C12 | C11 | C10 | 174.9° | 180.0° |
| C5 | C12 | C9 | C8 | 0.7° | 0.1° |
| C5 | C12 | C9 | N1 | 176.5° | 179.8° |
| C12 | C5 | C4 | H2 | 160.7° | 180.0° |
| C12 | C5 | C6 | H3 | 177.4° | 180.0° |
| C5 | C12 | C11 | H7 | 5.1° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.6° | 0.3° |
| C6 | C7 | C8 | H5 | 178.4° | 180.0° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C11 | C12 | C9 | C8 | 174.4° | 179.9° |
| C11 | C12 | C9 | N1 | 1.4° | 0.2° |
| C12 | C11 | C10 | N1 | 0.3° | 0.1° |
| C12 | C11 | C10 | H6 | 179.7° | 179.9° |
| C9 | C12 | C11 | C10 | 1.0° | 0.1° |
| C12 | C9 | C8 | C7 | 1.5° | 0.2° |
| C12 | C9 | C8 | N1 | 174.7° | 179.8° |
| C12 | C9 | N1 | C10 | 1.3° | 0.3° |
| C12 | C9 | N1 | H1 | 178.7° | 180.0° |
| C12 | C9 | C8 | H5 | 178.6° | 180.0° |
| C9 | C12 | C11 | H7 | 179.0° | 180.0° |
| C11 | C10 | N1 | C9 | 0.6° | 0.3° |
| C11 | C10 | N1 | H6 | 180.0° | 180.0° |
| C11 | C10 | N1 | H1 | 179.4° | 179.9° |
| C7 | C8 | C9 | H5 | 180.0° | 179.7° |
| C7 | C8 | C9 | N1 | 173.2° | 179.6° |
| C8 | C7 | C6 | H3 | 179.6° | 179.9° |
| C8 | C9 | N1 | C10 | 174.0° | 179.8° |
| C8 | C9 | N1 | H1 | 6.0° | 0.2° |
| C9 | C8 | C7 | H4 | 178.4° | 179.8° |
| C9 | N1 | C10 | H1 | 180.0° | 179.6° |
| N1 | C9 | C8 | H5 | 6.7° | 0.1° |
| C9 | N1 | C10 | H6 | 179.4° | 179.8° |
| N1 | C10 | C11 | H7 | 179.7° | 179.8° |
| H1 | N1 | C10 | H6 | 0.6° | 0.1° |
| H3 | C6 | C7 | H4 | 0.4° | 0.0° |
| H4 | C7 | C8 | H5 | 1.6° | 0.1° |
| H6 | C10 | C11 | H7 | 0.2° | 0.1° |
