LNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.34Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | S | sing | 1.76Å | 1.69Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| S | C9 | sing | 1.76Å | 1.72Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.47Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | O2 | doub | 1.21Å | 1.31Å | |
| C6 | O3 | sing | 1.34Å | 1.22Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| C | O1 | sing | 1.34Å | 1.30Å | |
| 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 | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 113.4° | 115.1° |
| C11 | C12 | S | 111.7° | 109.8° |
| C12 | C11 | H6 | 123.3° | 122.5° |
| C11 | C12 | H7 | 124.2° | 125.2° |
| C11 | C10 | C9 | 112.0° | 114.7° |
| C10 | C11 | H6 | 123.3° | 122.4° |
| C11 | C10 | H12 | 124.0° | 122.6° |
| C12 | S | C9 | 92.8° | 91.0° |
| S | C12 | H7 | 124.2° | 125.1° |
| C10 | C9 | S | 110.1° | 109.5° |
| C10 | C9 | C8 | 128.4° | 125.2° |
| C9 | C10 | H12 | 124.0° | 122.7° |
| S | C9 | C8 | 121.5° | 125.3° |
| C9 | C8 | C7 | 120.3° | 120.1° |
| C9 | C8 | C13 | 120.3° | 120.2° |
| C7 | C8 | C13 | 119.4° | 119.7° |
| C8 | C7 | C4 | 120.6° | 119.8° |
| C8 | C7 | H9 | 119.7° | 120.0° |
| C8 | C13 | C2 | 120.7° | 119.8° |
| C8 | C13 | H8 | 119.7° | 120.1° |
| C7 | C4 | C5 | 120.5° | 119.9° |
| C7 | C4 | C3 | 119.0° | 120.2° |
| C4 | C7 | H9 | 119.7° | 120.1° |
| C13 | C2 | C3 | 119.1° | 120.1° |
| C13 | C2 | C1 | 120.4° | 119.9° |
| C2 | C13 | H8 | 119.7° | 120.1° |
| C5 | C4 | C3 | 120.3° | 119.9° |
| C4 | C5 | C6 | 111.1° | 109.5° |
| C4 | C5 | H10 | 109.1° | 109.4° |
| C4 | C5 | H11 | 109.1° | 109.4° |
| C4 | C3 | C2 | 121.3° | 120.3° |
| C4 | C3 | H3 | 119.4° | 119.9° |
| C3 | C2 | C1 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.4° | 119.8° |
| C2 | C1 | C | 114.0° | 109.5° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C2 | C1 | H2 | 108.3° | 109.4° |
| C5 | C6 | O2 | 113.7° | 120.0° |
| C5 | C6 | O3 | 123.1° | 120.0° |
| C6 | C5 | H10 | 109.1° | 109.5° |
| C6 | C5 | H11 | 109.1° | 109.5° |
| O2 | C6 | O3 | 123.2° | 120.0° |
| C6 | O3 | H5 | 109.5° | 117.0° |
| C1 | C | O | 123.2° | 120.0° |
| C1 | C | O1 | 113.0° | 120.0° |
| C | C1 | H1 | 108.3° | 109.5° |
| C | C1 | H2 | 108.3° | 109.5° |
| O | C | O1 | 123.7° | 120.0° |
| C | O1 | H4 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H6 | 180.0° | 179.8° |
| C11 | C12 | S | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C11 | C12 | S | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H12 | 179.8° | 180.0° |
| C10 | C11 | C12 | S | 0.2° | 0.0° |
| C11 | C10 | C9 | H12 | 180.0° | 179.9° |
| C11 | C10 | C9 | S | 0.6° | 0.0° |
| C11 | C10 | C9 | C8 | 177.7° | 180.0° |
| C10 | C11 | C12 | H7 | 179.8° | 180.0° |
| C12 | S | C9 | C10 | 0.6° | 0.0° |
| C12 | S | C9 | C8 | 177.8° | 180.0° |
| S | C12 | C11 | H6 | 179.8° | 179.8° |
| C10 | C9 | S | C8 | 178.4° | 180.0° |
| C10 | C9 | C8 | C7 | 36.4° | 180.0° |
| C10 | C9 | C8 | C13 | 144.6° | 0.2° |
| C9 | C10 | C11 | H6 | 179.7° | 179.7° |
| S | C9 | C8 | C7 | 145.5° | 0.0° |
| S | C9 | C8 | C13 | 33.4° | 179.7° |
| C9 | S | C12 | H7 | 179.6° | 180.0° |
| S | C9 | C10 | H12 | 179.4° | 180.0° |
| C9 | C8 | C7 | C13 | 179.0° | 179.8° |
| C9 | C8 | C7 | C4 | 178.7° | 180.0° |
| C9 | C8 | C13 | C2 | 178.3° | 179.7° |
| C9 | C8 | C13 | H8 | 1.8° | 0.2° |
| C9 | C8 | C7 | H9 | 1.3° | 0.3° |
| C8 | C9 | C10 | H12 | 2.3° | 0.1° |
| C8 | C7 | C4 | H9 | 180.0° | 179.7° |
| C7 | C8 | C13 | C2 | 0.7° | 0.0° |
| C8 | C7 | C4 | C5 | 174.6° | 180.0° |
| C8 | C7 | C4 | C3 | 0.4° | 0.5° |
| C7 | C8 | C13 | H8 | 179.3° | 179.9° |
| C13 | C8 | C7 | C4 | 0.3° | 0.2° |
| C8 | C13 | C2 | H8 | 180.0° | 179.9° |
| C8 | C13 | C2 | C3 | 1.2° | 0.0° |
| C8 | C13 | C2 | C1 | 178.5° | 179.7° |
| C13 | C8 | C7 | H9 | 179.7° | 180.0° |
| C7 | C4 | C5 | C3 | 175.0° | 179.5° |
| C7 | C4 | C3 | C2 | 1.0° | 0.5° |
| C7 | C4 | C5 | C6 | 82.1° | 90.0° |
| C7 | C4 | C3 | H3 | 179.0° | 179.5° |
| C7 | C4 | C5 | H10 | 38.1° | 150.0° |
| C7 | C4 | C5 | H11 | 157.6° | 30.0° |
| C13 | C2 | C3 | C4 | 1.4° | 0.2° |
| C13 | C2 | C3 | C1 | 179.7° | 179.8° |
| C13 | C2 | C1 | C | 110.5° | 90.3° |
| C13 | C2 | C1 | H1 | 128.8° | 29.8° |
| C13 | C2 | C1 | H2 | 10.2° | 149.7° |
| C13 | C2 | C3 | H3 | 178.6° | 179.8° |
| C5 | C4 | C3 | C2 | 174.1° | 180.0° |
| C4 | C5 | C6 | H10 | 120.2° | 120.0° |
| C4 | C5 | C6 | H11 | 120.2° | 120.0° |
| C4 | C5 | C6 | O2 | 155.8° | 0.1° |
| C4 | C5 | C6 | O3 | 23.1° | 180.0° |
| C5 | C4 | C3 | H3 | 5.9° | 0.0° |
| C5 | C4 | C7 | H9 | 5.4° | 0.2° |
| C4 | C5 | H10 | H11 | 119.3° | 119.9° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 178.3° | 180.0° |
| C3 | C4 | C5 | C6 | 92.8° | 90.5° |
| C3 | C4 | C7 | H9 | 179.6° | 179.8° |
| C3 | C4 | C5 | H10 | 146.9° | 29.6° |
| C3 | C4 | C5 | H11 | 27.4° | 149.5° |
| C3 | C2 | C1 | C | 69.2° | 89.9° |
| C3 | C2 | C1 | H1 | 51.5° | 150.0° |
| C3 | C2 | C1 | H2 | 170.1° | 30.0° |
| C3 | C2 | C13 | H8 | 178.7° | 179.9° |
| C2 | C1 | C | H1 | 120.7° | 120.0° |
| C2 | C1 | C | H2 | 120.7° | 119.9° |
| C2 | C1 | C | O | 59.3° | 0.1° |
| C2 | C1 | C | O1 | 121.7° | 180.0° |
| C2 | C1 | H1 | H2 | 117.9° | 119.9° |
| C1 | C2 | C3 | H3 | 1.7° | 0.0° |
| C1 | C2 | C13 | H8 | 1.5° | 0.2° |
| C5 | C6 | O2 | O3 | 178.8° | 179.9° |
| C5 | C6 | O3 | H5 | 178.7° | 180.0° |
| C6 | C5 | H10 | H11 | 119.3° | 120.0° |
| O2 | C6 | O3 | H5 | 0.0° | 0.1° |
| O2 | C6 | C5 | H10 | 35.5° | 119.9° |
| O2 | C6 | C5 | H11 | 84.0° | 120.0° |
| O3 | C6 | C5 | H10 | 143.3° | 60.0° |
| O3 | C6 | C5 | H11 | 97.2° | 60.1° |
| C1 | C | O | O1 | 178.9° | 179.9° |
| C | C1 | H1 | H2 | 117.9° | 120.1° |
| C1 | C | O1 | H4 | 179.0° | 180.0° |
| O | C | C1 | H1 | 180.0° | 119.9° |
| O | C | C1 | H2 | 61.4° | 120.0° |
| O | C | O1 | H4 | 0.0° | 0.1° |
| O1 | C | C1 | H1 | 1.0° | 60.0° |
| O1 | C | C1 | H2 | 117.6° | 60.1° |
| H6 | C11 | C12 | H7 | 0.2° | 0.3° |
| H6 | C11 | C10 | H12 | 0.3° | 0.2° |
