LW0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | F | sing | 1.35Å | 1.35Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.41Å | Aromatic |
| N3 | N2 | doub | 1.29Å | 1.30Å | Aromatic |
| N4 | C10 | doub | 1.31Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.50Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C | sing | 1.35Å | 1.34Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.46Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| N2 | N1 | sing | 1.29Å | 1.39Å | Aromatic |
| C10 | C8 | sing | 1.51Å | 1.48Å | |
| C10 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | C9 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 120.3° | 120.2° |
| C15 | C14 | C13 | 119.9° | 120.3° |
| C15 | C14 | H2 | 120.1° | 119.8° |
| C14 | C15 | H5 | 119.8° | 119.9° |
| C15 | C16 | C11 | 119.7° | 119.9° |
| C16 | C15 | H5 | 119.9° | 119.9° |
| C15 | C16 | H6 | 120.2° | 120.1° |
| C14 | C13 | F | 120.7° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C13 | C14 | H2 | 120.0° | 119.9° |
| C16 | C11 | C12 | 119.9° | 119.7° |
| C16 | C11 | C | 122.1° | 120.1° |
| C11 | C16 | H6 | 120.2° | 120.0° |
| F | C13 | C12 | 119.6° | 119.9° |
| C13 | C12 | C11 | 120.4° | 119.8° |
| C13 | C12 | H1 | 119.8° | 120.1° |
| C5 | C4 | C3 | 122.0° | 120.0° |
| C4 | C5 | C6 | 121.9° | 119.9° |
| C5 | C4 | H8 | 119.0° | 119.9° |
| C4 | C5 | H9 | 119.1° | 120.1° |
| C4 | C3 | C2 | 117.1° | 120.2° |
| C4 | C3 | H7 | 121.4° | 119.9° |
| C3 | C4 | H8 | 119.0° | 120.1° |
| N4 | N3 | N2 | 108.1° | 109.4° |
| N3 | N4 | C10 | 108.0° | 107.9° |
| N3 | N2 | N1 | 108.3° | 108.8° |
| N4 | C10 | C8 | 128.0° | 126.6° |
| N4 | C10 | N1 | 107.0° | 106.7° |
| C12 | C11 | C | 117.9° | 120.1° |
| C11 | C12 | H1 | 119.8° | 120.1° |
| C11 | C | N | 120.8° | 120.0° |
| C11 | C | O | 117.4° | 120.0° |
| C5 | C6 | C7 | 117.3° | 120.3° |
| C6 | C5 | H9 | 119.0° | 120.1° |
| C5 | C6 | H10 | 121.3° | 119.8° |
| C3 | C2 | C7 | 120.8° | 119.9° |
| C3 | C2 | C1 | 128.9° | 130.4° |
| C2 | C3 | H7 | 121.4° | 119.9° |
| C | N | C1 | 121.1° | 120.0° |
| N | C | O | 121.8° | 120.0° |
| C | N | H3 | 119.4° | 120.0° |
| N | C1 | C2 | 114.2° | 110.3° |
| N | C1 | C9 | 113.3° | 110.3° |
| C1 | N | H3 | 119.5° | 120.0° |
| N | C1 | H4 | 109.3° | 110.3° |
| C6 | C7 | C2 | 120.8° | 119.8° |
| C6 | C7 | C8 | 128.4° | 130.4° |
| C7 | C6 | H10 | 121.3° | 119.9° |
| C7 | C2 | C1 | 110.2° | 109.7° |
| C2 | C7 | C8 | 110.8° | 109.8° |
| C2 | C1 | C9 | 102.6° | 105.2° |
| C2 | C1 | H4 | 109.0° | 110.4° |
| C7 | C8 | C10 | 115.1° | 110.3° |
| C7 | C8 | C9 | 102.3° | 105.2° |
| C7 | C8 | H11 | 109.2° | 110.3° |
| N2 | N1 | C10 | 108.7° | 107.1° |
| N2 | N1 | H14 | 125.7° | 126.4° |
| C8 | C10 | N1 | 124.9° | 126.7° |
| C10 | C8 | C9 | 112.3° | 110.3° |
| C10 | C8 | H11 | 109.1° | 110.3° |
| C10 | N1 | H14 | 125.7° | 126.5° |
| C1 | C9 | C8 | 108.3° | 102.4° |
| C9 | C1 | H4 | 108.2° | 110.3° |
| C1 | C9 | H12 | 109.8° | 110.8° |
| C1 | C9 | H13 | 109.7° | 110.8° |
| C9 | C8 | H11 | 108.4° | 110.4° |
| C8 | C9 | H12 | 109.8° | 110.8° |
| C8 | C9 | H13 | 109.8° | 110.8° |
| H12 | C9 | H13 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H5 | 180.0° | 179.8° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.9° | 0.3° |
| C15 | C14 | C13 | F | 179.8° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C15 | C16 | H6 | 179.2° | 180.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.2° |
| C15 | C16 | C11 | H6 | 180.0° | 179.8° |
| C15 | C16 | C11 | C12 | 1.0° | 0.0° |
| C15 | C16 | C11 | C | 179.8° | 180.0° |
| C16 | C15 | C14 | H2 | 179.5° | 179.7° |
| C14 | C13 | F | C12 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C14 | C13 | C12 | H1 | 179.6° | 180.0° |
| C13 | C14 | C15 | H5 | 179.5° | 180.0° |
| C16 | C11 | C12 | C13 | 0.8° | 0.3° |
| C16 | C11 | C12 | C | 178.9° | 180.0° |
| C16 | C11 | C | N | 18.7° | 0.1° |
| C16 | C11 | C | O | 161.6° | 180.0° |
| C16 | C11 | C12 | H1 | 179.2° | 180.0° |
| C11 | C16 | C15 | H5 | 179.1° | 180.0° |
| F | C13 | C12 | C11 | 179.6° | 179.7° |
| F | C13 | C12 | H1 | 0.3° | 0.0° |
| F | C13 | C14 | H2 | 0.2° | 0.0° |
| C13 | C12 | C11 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | C | 179.7° | 179.7° |
| C12 | C13 | C14 | H2 | 179.7° | 180.0° |
| C5 | C4 | C3 | H8 | 180.0° | 179.9° |
| C4 | C5 | C6 | H9 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C3 | H7 | 179.9° | 180.0° |
| C4 | C5 | C6 | H10 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C2 | H7 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 0.1° | 0.1° |
| C4 | C3 | C2 | C1 | 178.9° | 180.0° |
| C3 | C4 | C5 | H9 | 179.9° | 179.9° |
| N4 | N3 | N2 | N1 | 0.1° | 0.3° |
| N3 | N4 | C10 | C8 | 179.8° | 179.9° |
| N3 | N4 | C10 | N1 | 0.3° | 0.4° |
| N2 | N3 | N4 | C10 | 0.3° | 0.4° |
| N3 | N2 | N1 | C10 | 0.1° | 0.0° |
| N3 | N2 | N1 | H14 | 179.9° | 180.0° |
| N4 | C10 | C8 | C7 | 47.6° | 146.8° |
| N4 | C10 | N1 | N2 | 0.2° | 0.2° |
| N4 | C10 | C8 | N1 | 179.5° | 179.7° |
| N4 | C10 | C8 | C9 | 69.0° | 97.5° |
| N4 | C10 | C8 | H11 | 170.7° | 24.7° |
| N4 | C10 | N1 | H14 | 179.7° | 179.8° |
| C12 | C11 | C | N | 162.4° | 180.0° |
| C12 | C11 | C | O | 17.2° | 0.0° |
| C12 | C11 | C16 | H6 | 179.0° | 179.8° |
| C11 | C | N | O | 179.7° | 180.0° |
| C11 | C | N | C1 | 177.2° | 180.0° |
| C | C11 | C12 | H1 | 0.4° | 0.1° |
| C11 | C | N | H3 | 2.8° | 0.1° |
| C | C11 | C16 | H6 | 0.2° | 0.2° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.3° | 0.0° |
| C5 | C6 | C7 | C8 | 179.1° | 180.0° |
| C6 | C5 | C4 | H8 | 180.0° | 180.0° |
| C3 | C2 | C1 | N | 43.7° | 44.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.0° |
| C3 | C2 | C7 | C1 | 179.0° | 179.9° |
| C3 | C2 | C7 | C8 | 179.1° | 180.0° |
| C3 | C2 | C1 | C9 | 166.7° | 162.9° |
| C3 | C2 | C1 | H4 | 78.8° | 78.1° |
| C2 | C3 | C4 | H8 | 179.9° | 180.0° |
| C | N | C1 | H3 | 180.0° | 179.9° |
| C | N | C1 | C2 | 140.9° | 89.2° |
| C | N | C1 | C9 | 102.2° | 155.0° |
| C | N | C1 | H4 | 18.5° | 32.9° |
| N | C1 | C2 | C7 | 137.4° | 136.1° |
| N | C1 | C2 | C9 | 123.0° | 118.9° |
| N | C1 | C2 | H4 | 122.5° | 122.1° |
| C1 | N | C | O | 3.2° | 0.0° |
| N | C1 | C9 | H4 | 121.4° | 122.1° |
| N | C1 | C9 | C8 | 146.9° | 145.3° |
| N | C1 | C9 | H12 | 27.1° | 27.0° |
| N | C1 | C9 | H13 | 93.2° | 96.5° |
| C6 | C7 | C2 | C8 | 178.9° | 180.0° |
| C6 | C7 | C2 | C1 | 178.8° | 179.9° |
| C6 | C7 | C8 | C10 | 44.8° | 43.9° |
| C6 | C7 | C8 | C9 | 166.9° | 162.9° |
| C7 | C6 | C5 | H9 | 179.7° | 180.0° |
| C6 | C7 | C8 | H11 | 78.3° | 78.1° |
| C2 | C7 | C8 | C10 | 136.4° | 136.1° |
| C7 | C2 | C1 | C9 | 14.4° | 17.2° |
| C2 | C7 | C8 | C9 | 14.2° | 17.2° |
| C7 | C2 | C1 | H4 | 100.1° | 101.8° |
| C7 | C2 | C3 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | H10 | 179.7° | 180.0° |
| C2 | C7 | C8 | H11 | 100.5° | 101.8° |
| C1 | C2 | C7 | C8 | 0.1° | 0.0° |
| C2 | C1 | C9 | H4 | 115.1° | 119.0° |
| C2 | C1 | C9 | C8 | 23.4° | 26.4° |
| C2 | C1 | N | H3 | 39.1° | 90.7° |
| C1 | C2 | C3 | H7 | 1.2° | 0.1° |
| C2 | C1 | C9 | H12 | 96.4° | 91.9° |
| C2 | C1 | C9 | H13 | 143.2° | 144.6° |
| O | C | N | H3 | 176.8° | 180.0° |
| C7 | C8 | C10 | C9 | 116.6° | 115.8° |
| C7 | C8 | C10 | H11 | 123.1° | 122.0° |
| C7 | C8 | C10 | N1 | 133.0° | 33.5° |
| C7 | C8 | C9 | C1 | 23.2° | 26.3° |
| C7 | C8 | C9 | H11 | 115.3° | 118.9° |
| C8 | C7 | C6 | H10 | 1.0° | 0.0° |
| C7 | C8 | C9 | H12 | 96.6° | 91.9° |
| C7 | C8 | C9 | H13 | 143.1° | 144.5° |
| N2 | N1 | C10 | C8 | 179.8° | 180.0° |
| N2 | N1 | C10 | H14 | 180.0° | 180.0° |
| C10 | C8 | C9 | C1 | 147.3° | 145.3° |
| C10 | C8 | C9 | H11 | 120.7° | 122.1° |
| C10 | C8 | C9 | H12 | 27.5° | 27.1° |
| C10 | C8 | C9 | H13 | 92.9° | 96.5° |
| C8 | C10 | N1 | H14 | 0.2° | 0.0° |
| N1 | C10 | C8 | C9 | 110.5° | 82.2° |
| N1 | C10 | C8 | H11 | 9.8° | 155.6° |
| C1 | C9 | C8 | H12 | 119.8° | 118.2° |
| C1 | C9 | C8 | H13 | 119.8° | 118.2° |
| C9 | C1 | N | H3 | 77.8° | 25.0° |
| C1 | C9 | C8 | H11 | 92.0° | 92.6° |
| C1 | C9 | H12 | H13 | 120.5° | 123.5° |
| C8 | C9 | C1 | H4 | 91.7° | 92.7° |
| C8 | C9 | H12 | H13 | 120.6° | 123.5° |
| H2 | C14 | C15 | H5 | 0.5° | 0.1° |
| H3 | N | C1 | H4 | 161.5° | 147.1° |
| H4 | C1 | C9 | H12 | 148.4° | 149.1° |
| H4 | C1 | C9 | H13 | 28.1° | 25.6° |
| H5 | C15 | C16 | H6 | 0.8° | 0.2° |
| H7 | C3 | C4 | H8 | 0.1° | 0.1° |
| H8 | C4 | C5 | H9 | 0.1° | 0.0° |
| H9 | C5 | C6 | H10 | 0.3° | 0.1° |
| H11 | C8 | C9 | H12 | 148.1° | 149.2° |
| H11 | C8 | C9 | H13 | 27.8° | 25.6° |
