LW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C2 | doub | 1.21Å | 1.25Å | |
| O6 | C5 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.60Å | |
| O4 | C3 | sing | 1.43Å | 1.41Å | |
| C3 | C5 | sing | 1.53Å | 1.62Å | |
| C5 | C7 | sing | 1.51Å | 1.55Å | |
| C7 | S11 | sing | 1.76Å | 1.75Å | Aromatic |
| C7 | C8 | doub | 1.33Å | 1.41Å | Aromatic |
| S11 | C10 | sing | 1.76Å | 1.73Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.50Å | Aromatic |
| C10 | C9 | doub | 1.33Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C2 | C1 | 117.4° | 120.0° |
| O12 | C2 | C3 | 116.8° | 120.0° |
| O6 | C5 | C3 | 103.9° | 109.5° |
| O6 | C5 | C7 | 112.0° | 109.5° |
| O6 | C5 | H5 | 112.0° | 109.5° |
| C5 | O6 | H10 | 109.5° | 114.0° |
| C1 | C2 | C3 | 125.8° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | O4 | 105.8° | 109.5° |
| C2 | C3 | C5 | 117.8° | 109.5° |
| C2 | C3 | H4 | 107.9° | 109.5° |
| O4 | C3 | C5 | 107.4° | 109.4° |
| O4 | C3 | H4 | 110.3° | 109.5° |
| C3 | O4 | H9 | 109.5° | 114.0° |
| C3 | C5 | C7 | 109.1° | 109.5° |
| C5 | C3 | H4 | 107.7° | 109.5° |
| C3 | C5 | H5 | 109.4° | 109.4° |
| C5 | C7 | S11 | 121.8° | 125.2° |
| C5 | C7 | C8 | 131.1° | 125.2° |
| C7 | C5 | H5 | 110.2° | 109.5° |
| S11 | C7 | C8 | 107.1° | 109.6° |
| C7 | S11 | C10 | 96.8° | 91.0° |
| C7 | C8 | C9 | 114.7° | 114.9° |
| C7 | C8 | H6 | 122.7° | 122.6° |
| S11 | C10 | C9 | 110.0° | 109.6° |
| S11 | C10 | H8 | 125.0° | 125.2° |
| C8 | C9 | C10 | 111.4° | 115.0° |
| C9 | C8 | H6 | 122.7° | 122.6° |
| C8 | C9 | H7 | 124.3° | 122.5° |
| C10 | C9 | H7 | 124.3° | 122.5° |
| C9 | C10 | H8 | 125.0° | 125.3° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C2 | C1 | C3 | 179.6° | 180.0° |
| O12 | C2 | C3 | O4 | 63.1° | 15.0° |
| O12 | C2 | C3 | C5 | 56.8° | 105.0° |
| O12 | C2 | C1 | H1 | 0.0° | 90.0° |
| O12 | C2 | C1 | H2 | 120.0° | 30.0° |
| O12 | C2 | C1 | H3 | 120.0° | 150.0° |
| O12 | C2 | C3 | H4 | 178.8° | 135.0° |
| O6 | C5 | C3 | C2 | 63.3° | 55.0° |
| O6 | C5 | C3 | O4 | 55.8° | 65.0° |
| O6 | C5 | C3 | C7 | 119.6° | 120.0° |
| O6 | C5 | C3 | H5 | 119.8° | 120.0° |
| O6 | C5 | C7 | H5 | 125.5° | 120.0° |
| O6 | C5 | C7 | S11 | 84.3° | 35.0° |
| O6 | C5 | C7 | C8 | 96.7° | 145.3° |
| O6 | C5 | C3 | H4 | 174.6° | 175.0° |
| C1 | C2 | C3 | O4 | 116.4° | 165.0° |
| C1 | C2 | C3 | C5 | 123.6° | 75.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 1.6° | 45.0° |
| C2 | C3 | O4 | C5 | 126.5° | 120.0° |
| C2 | C3 | O4 | H4 | 116.4° | 120.0° |
| C2 | C3 | C5 | H4 | 122.1° | 120.0° |
| C2 | C3 | C5 | C7 | 177.1° | 175.0° |
| C3 | C2 | C1 | H1 | 179.5° | 90.0° |
| C3 | C2 | C1 | H2 | 59.5° | 150.0° |
| C3 | C2 | C1 | H3 | 60.5° | 30.0° |
| C2 | C3 | C5 | H5 | 56.5° | 65.0° |
| C2 | C3 | O4 | H9 | 24.2° | 60.0° |
| O4 | C3 | C5 | H4 | 118.8° | 120.0° |
| O4 | C3 | C5 | C7 | 63.8° | 55.0° |
| O4 | C3 | C5 | H5 | 175.6° | 175.0° |
| C3 | C5 | C7 | H5 | 120.1° | 120.0° |
| C3 | C5 | C7 | S11 | 30.1° | 85.0° |
| C3 | C5 | C7 | C8 | 148.8° | 94.7° |
| C5 | C3 | O4 | H9 | 102.4° | 60.0° |
| C3 | C5 | O6 | H10 | 32.1° | 60.1° |
| C5 | C7 | S11 | C8 | 179.2° | 179.8° |
| C5 | C7 | S11 | C10 | 179.7° | 180.0° |
| C5 | C7 | C8 | C9 | 179.5° | 180.0° |
| C7 | C5 | C3 | H4 | 55.0° | 65.0° |
| C5 | C7 | C8 | H6 | 0.5° | 0.0° |
| C7 | C5 | O6 | H10 | 149.7° | 60.0° |
| S11 | C7 | C8 | C9 | 0.5° | 0.2° |
| C7 | S11 | C10 | C9 | 0.4° | 0.3° |
| S11 | C7 | C5 | H5 | 150.2° | 155.0° |
| S11 | C7 | C8 | H6 | 179.5° | 179.8° |
| C7 | S11 | C10 | H8 | 179.6° | 179.9° |
| C8 | C7 | S11 | C10 | 0.5° | 0.3° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | C5 | H5 | 28.8° | 25.2° |
| C7 | C8 | C9 | H7 | 179.8° | 180.0° |
| S11 | C10 | C9 | C8 | 0.2° | 0.2° |
| S11 | C10 | C9 | H8 | 180.0° | 179.9° |
| S11 | C10 | C9 | H7 | 179.8° | 179.8° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | H8 | 179.8° | 179.9° |
| C10 | C9 | C8 | H6 | 179.8° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C5 | H5 | 65.6° | 55.0° |
| H4 | C3 | O4 | H9 | 140.6° | 180.0° |
| H5 | C5 | O6 | H10 | 85.8° | 180.0° |
| H6 | C8 | C9 | H7 | 0.2° | 0.0° |
| H7 | C9 | C10 | H8 | 0.2° | 0.1° |
