LQW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C11 | sing | 1.74Å | 1.78Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| SE | C4 | sing | 1.96Å | 1.59Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.50Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.46Å | 1.46Å | |
| N | C6 | sing | 1.35Å | 1.36Å | |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| C6 | O | doub | 1.22Å | 1.24Å | |
| C5 | C | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C | H11 | sing | 1.08Å | 1.08Å | |
| SE | H12 | sing | 1.56Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C11 | C12 | 119.3° | 120.0° |
| CL | C11 | C10 | 118.4° | 120.0° |
| C11 | C12 | C13 | 118.9° | 120.0° |
| C12 | C11 | C10 | 122.4° | 120.0° |
| C11 | C12 | H9 | 120.5° | 120.1° |
| C12 | C13 | C8 | 119.6° | 120.0° |
| C12 | C13 | H7 | 120.2° | 120.0° |
| C13 | C12 | H9 | 120.6° | 120.0° |
| C11 | C10 | C9 | 118.3° | 119.9° |
| C11 | C10 | H8 | 120.8° | 120.0° |
| C13 | C8 | C9 | 120.5° | 120.0° |
| C13 | C8 | C7 | 118.6° | 120.0° |
| C8 | C13 | H7 | 120.2° | 120.0° |
| SE | C4 | C3 | 121.6° | 120.0° |
| SE | C4 | C5 | 121.1° | 120.1° |
| C4 | SE | H12 | 109.5° | 101.0° |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C10 | C9 | H6 | 119.9° | 119.9° |
| C9 | C10 | H8 | 120.9° | 120.0° |
| C9 | C8 | C7 | 120.8° | 120.0° |
| C8 | C9 | H6 | 119.9° | 120.0° |
| C8 | C7 | N | 109.2° | 109.5° |
| C8 | C7 | H4 | 109.5° | 109.4° |
| C8 | C7 | H5 | 109.5° | 109.5° |
| C3 | C4 | C5 | 117.3° | 119.9° |
| C4 | C3 | C2 | 121.1° | 120.1° |
| C4 | C3 | H3 | 119.4° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | C | 119.4° | 119.7° |
| C3 | C2 | C1 | 120.9° | 120.3° |
| C3 | C2 | H2 | 119.6° | 119.9° |
| C2 | C3 | H3 | 119.4° | 119.9° |
| C7 | N | C6 | 129.0° | 120.0° |
| N | C7 | H4 | 109.5° | 109.5° |
| N | C7 | H5 | 109.5° | 109.5° |
| C7 | N | H10 | 115.5° | 120.0° |
| N | C6 | C5 | 115.9° | 120.0° |
| N | C6 | O | 128.3° | 120.0° |
| C6 | N | H10 | 115.5° | 120.0° |
| C5 | C6 | O | 115.8° | 120.0° |
| C6 | C5 | C | 120.5° | 120.2° |
| C5 | C | C1 | 119.6° | 119.9° |
| C5 | C | H11 | 120.2° | 120.0° |
| C2 | C1 | C | 121.6° | 120.1° |
| C2 | C1 | H1 | 119.2° | 120.0° |
| C1 | C2 | H2 | 119.5° | 119.8° |
| C | C1 | H1 | 119.2° | 119.9° |
| C1 | C | H11 | 120.2° | 120.1° |
| H4 | C7 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C11 | C12 | C10 | 179.3° | 179.5° |
| CL | C11 | C12 | C13 | 179.6° | 179.7° |
| CL | C11 | C10 | C9 | 179.9° | 180.0° |
| CL | C11 | C10 | H8 | 0.0° | 0.6° |
| CL | C11 | C12 | H9 | 0.4° | 0.5° |
| C11 | C12 | C13 | H9 | 180.0° | 179.2° |
| C11 | C12 | C13 | C8 | 0.8° | 0.6° |
| C12 | C11 | C10 | C9 | 0.8° | 0.5° |
| C11 | C12 | C13 | H7 | 179.2° | 179.4° |
| C12 | C11 | C10 | H8 | 179.2° | 180.0° |
| C13 | C12 | C11 | C10 | 1.1° | 0.8° |
| C12 | C13 | C8 | H7 | 180.0° | 179.9° |
| C12 | C13 | C8 | C9 | 0.2° | 0.0° |
| C12 | C13 | C8 | C7 | 179.2° | 179.7° |
| C11 | C10 | C9 | H8 | 180.0° | 179.4° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C11 | C10 | C9 | H6 | 179.8° | 180.0° |
| C10 | C11 | C12 | H9 | 178.9° | 180.0° |
| C13 | C8 | C9 | C10 | 0.1° | 0.3° |
| C13 | C8 | C9 | C7 | 179.4° | 179.7° |
| C13 | C8 | C7 | N | 94.0° | 90.3° |
| C13 | C8 | C7 | H4 | 26.0° | 29.7° |
| C13 | C8 | C7 | H5 | 146.1° | 149.7° |
| C13 | C8 | C9 | H6 | 179.9° | 179.7° |
| C8 | C13 | C12 | H9 | 179.2° | 179.7° |
| SE | C4 | C3 | C5 | 179.3° | 179.7° |
| SE | C4 | C3 | C2 | 178.5° | 180.0° |
| SE | C4 | C5 | C6 | 0.1° | 0.0° |
| SE | C4 | C5 | C | 179.8° | 180.0° |
| SE | C4 | C3 | H3 | 1.5° | 0.0° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 179.5° | 180.0° |
| C9 | C8 | C7 | N | 85.5° | 90.0° |
| C9 | C8 | C7 | H4 | 154.6° | 150.0° |
| C9 | C8 | C7 | H5 | 34.5° | 30.0° |
| C9 | C8 | C13 | H7 | 179.8° | 180.0° |
| C8 | C9 | C10 | H8 | 179.9° | 179.4° |
| C8 | C7 | N | H4 | 120.0° | 119.9° |
| C8 | C7 | N | H5 | 119.9° | 120.0° |
| C8 | C7 | N | C6 | 38.4° | 180.0° |
| C8 | C7 | H4 | H5 | 120.1° | 119.9° |
| C7 | C8 | C9 | H6 | 0.5° | 0.0° |
| C7 | C8 | C13 | H7 | 0.8° | 0.3° |
| C8 | C7 | N | H10 | 141.6° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.2° | 179.7° |
| C3 | C4 | C5 | C | 0.5° | 0.3° |
| C4 | C3 | C2 | C1 | 1.8° | 0.1° |
| C4 | C3 | C2 | H2 | 178.1° | 179.9° |
| C3 | C4 | SE | H12 | 180.0° | 90.0° |
| C5 | C4 | C3 | C2 | 2.2° | 0.2° |
| C4 | C5 | C6 | N | 123.8° | 180.0° |
| C4 | C5 | C6 | C | 179.7° | 180.0° |
| C4 | C5 | C6 | O | 55.8° | 0.0° |
| C4 | C5 | C | C1 | 1.5° | 0.0° |
| C5 | C4 | C3 | H3 | 177.8° | 179.7° |
| C4 | C5 | C | H11 | 178.5° | 180.0° |
| C5 | C4 | SE | H12 | 0.8° | 89.7° |
| C3 | C2 | C1 | H2 | 180.0° | 179.8° |
| C3 | C2 | C1 | C | 0.4° | 0.4° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C7 | N | C6 | H10 | 180.0° | 179.9° |
| C7 | N | C6 | C5 | 175.6° | 180.0° |
| C7 | N | C6 | O | 4.0° | 0.1° |
| N | C7 | H4 | H5 | 120.1° | 120.1° |
| N | C6 | C5 | O | 179.6° | 179.9° |
| N | C6 | C5 | C | 55.9° | 0.0° |
| C6 | N | C7 | H4 | 158.4° | 60.1° |
| C6 | N | C7 | H5 | 81.5° | 60.0° |
| C6 | C5 | C | C1 | 178.8° | 180.0° |
| C5 | C6 | N | H10 | 4.4° | 0.1° |
| C6 | C5 | C | H11 | 1.2° | 0.0° |
| O | C6 | C5 | C | 124.5° | 180.0° |
| O | C6 | N | H10 | 176.0° | 180.0° |
| C5 | C | C1 | C2 | 2.0° | 0.3° |
| C5 | C | C1 | H11 | 180.0° | 180.0° |
| C5 | C | C1 | H1 | 177.9° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | H3 | 178.1° | 179.9° |
| C2 | C1 | C | H11 | 178.0° | 179.7° |
| C | C1 | C2 | H2 | 179.7° | 179.8° |
| H1 | C1 | C2 | H2 | 0.4° | 0.1° |
| H1 | C1 | C | H11 | 2.0° | 0.0° |
| H2 | C2 | C3 | H3 | 1.9° | 0.1° |
| H4 | C7 | N | H10 | 21.6° | 120.0° |
| H5 | C7 | N | H10 | 98.5° | 120.0° |
| H6 | C9 | C10 | H8 | 0.2° | 0.6° |
| H7 | C13 | C12 | H9 | 0.8° | 0.2° |
