8L4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | O1 | sing | 1.42Å | 1.38Å | |
| N1 | C7 | sing | 1.38Å | 1.32Å | |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C7 | N2 | doub | 1.30Å | 1.32Å | |
| C1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C11 | sing | 1.51Å | 1.49Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | N3 | sing | 1.46Å | 1.44Å | |
| N3 | C10 | sing | 1.35Å | 1.32Å | |
| O2 | C10 | doub | 1.22Å | 1.20Å | |
| C10 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | C17 | sing | 1.40Å | 1.35Å | |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | CL | sing | 1.74Å | 1.78Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 119.0° | 120.1° |
| C3 | C4 | C5 | 120.4° | 119.9° |
| C4 | C3 | H12 | 120.5° | 120.0° |
| C3 | C4 | H13 | 119.8° | 120.0° |
| C3 | C2 | C1 | 120.4° | 120.3° |
| C3 | C2 | H11 | 119.8° | 119.9° |
| C2 | C3 | H12 | 120.5° | 119.9° |
| C4 | C5 | C7 | 120.3° | 120.2° |
| C4 | C5 | C6 | 120.5° | 119.7° |
| C5 | C4 | H13 | 119.8° | 120.1° |
| C2 | C1 | C6 | 120.4° | 120.1° |
| C2 | C1 | C11 | 121.1° | 120.0° |
| C1 | C2 | H11 | 119.8° | 119.8° |
| O1 | N1 | C7 | 122.9° | 120.0° |
| O1 | N1 | H15 | 118.6° | 120.0° |
| N1 | O1 | H19 | 109.5° | 114.0° |
| N1 | C7 | C5 | 116.6° | 120.0° |
| N1 | C7 | N2 | 123.0° | 120.0° |
| C7 | N1 | H15 | 118.6° | 120.0° |
| C7 | C5 | C6 | 119.1° | 120.1° |
| C5 | C7 | N2 | 120.4° | 120.0° |
| C5 | C6 | C1 | 119.4° | 119.9° |
| C5 | C6 | H14 | 120.3° | 120.1° |
| C7 | N2 | H16 | 112.0° | 120.0° |
| C6 | C1 | C11 | 118.5° | 120.0° |
| C1 | C6 | H14 | 120.3° | 120.0° |
| C1 | C11 | C13 | 106.0° | 109.5° |
| C1 | C11 | C12 | 110.9° | 109.5° |
| C1 | C11 | N3 | 111.4° | 109.5° |
| C13 | C11 | C12 | 108.3° | 109.5° |
| C13 | C11 | N3 | 109.4° | 109.5° |
| C11 | C13 | H1 | 109.5° | 109.5° |
| C11 | C13 | H2 | 109.5° | 109.5° |
| C11 | C13 | H3 | 109.5° | 109.5° |
| C12 | C11 | N3 | 110.7° | 109.5° |
| C11 | C12 | H8 | 109.5° | 109.5° |
| C11 | C12 | H9 | 109.4° | 109.5° |
| C11 | C12 | H10 | 109.5° | 109.5° |
| C11 | N3 | C10 | 125.6° | 120.0° |
| C11 | N3 | H17 | 117.2° | 120.0° |
| N3 | C10 | O2 | 122.7° | 120.0° |
| N3 | C10 | N4 | 114.1° | 120.1° |
| C10 | N3 | H17 | 117.2° | 119.9° |
| O2 | C10 | N4 | 123.2° | 120.0° |
| C10 | N4 | C17 | 127.1° | 120.0° |
| C10 | N4 | H18 | 116.4° | 119.9° |
| N4 | C17 | C18 | 123.1° | 120.1° |
| N4 | C17 | C22 | 118.1° | 120.0° |
| C17 | N4 | H18 | 116.4° | 120.1° |
| C18 | C17 | C22 | 118.8° | 119.9° |
| C17 | C18 | C19 | 120.1° | 119.9° |
| C17 | C18 | H4 | 120.0° | 120.1° |
| C17 | C22 | C21 | 121.4° | 119.9° |
| C17 | C22 | H7 | 119.3° | 120.1° |
| C18 | C19 | C20 | 120.2° | 120.1° |
| C19 | C18 | H4 | 119.9° | 120.0° |
| C18 | C19 | H5 | 119.9° | 120.0° |
| C22 | C21 | C20 | 119.6° | 120.1° |
| C22 | C21 | H6 | 120.2° | 119.9° |
| C21 | C22 | H7 | 119.3° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.1° |
| C19 | C20 | CL | 120.6° | 119.9° |
| C20 | C19 | H5 | 119.9° | 119.9° |
| C21 | C20 | CL | 119.5° | 119.9° |
| C20 | C21 | H6 | 120.2° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H12 | 180.0° | 179.9° |
| C3 | C4 | C5 | H13 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C3 | C4 | C5 | C7 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 1.0° | 0.1° |
| C4 | C3 | C2 | H11 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.8° | 0.0° |
| C3 | C2 | C1 | C11 | 178.2° | 179.8° |
| C2 | C3 | C4 | H13 | 179.1° | 180.0° |
| C4 | C5 | C7 | N1 | 22.7° | 0.3° |
| C4 | C5 | C7 | C6 | 178.9° | 180.0° |
| C4 | C5 | C7 | N2 | 158.5° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C3 | H12 | 179.0° | 180.0° |
| C4 | C5 | C6 | H14 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.8° | 0.0° |
| C2 | C1 | C6 | C11 | 177.4° | 179.8° |
| C2 | C1 | C11 | C13 | 83.3° | 84.9° |
| C2 | C1 | C11 | C12 | 34.0° | 35.1° |
| C2 | C1 | C11 | N3 | 157.8° | 155.1° |
| C1 | C2 | C3 | H12 | 179.9° | 180.0° |
| C2 | C1 | C6 | H14 | 179.3° | 179.8° |
| O1 | N1 | C7 | H15 | 180.0° | 179.9° |
| O1 | N1 | C7 | C5 | 180.0° | 179.7° |
| O1 | N1 | C7 | N2 | 1.3° | 0.0° |
| N1 | C7 | C5 | N2 | 178.7° | 179.7° |
| N1 | C7 | C5 | C6 | 156.1° | 179.7° |
| N1 | C7 | N2 | H16 | 178.7° | 179.7° |
| C7 | N1 | O1 | H19 | 180.0° | 180.0° |
| C7 | C5 | C6 | C1 | 179.0° | 180.0° |
| C7 | C5 | C4 | H13 | 0.1° | 0.1° |
| C7 | C5 | C6 | H14 | 1.0° | 0.2° |
| C5 | C7 | N1 | H15 | 0.0° | 0.2° |
| C5 | C7 | N2 | H16 | 0.0° | 0.0° |
| C6 | C5 | C7 | N2 | 22.6° | 0.0° |
| C5 | C6 | C1 | H14 | 180.0° | 179.8° |
| C5 | C6 | C1 | C11 | 178.2° | 179.8° |
| C6 | C5 | C4 | H13 | 179.0° | 180.0° |
| N2 | C7 | N1 | H15 | 178.7° | 179.9° |
| C6 | C1 | C11 | C13 | 94.1° | 95.3° |
| C6 | C1 | C11 | C12 | 148.5° | 144.7° |
| C6 | C1 | C11 | N3 | 24.8° | 24.7° |
| C6 | C1 | C2 | H11 | 179.2° | 180.0° |
| C1 | C11 | C13 | C12 | 119.1° | 120.0° |
| C1 | C11 | C13 | N3 | 120.2° | 120.0° |
| C1 | C11 | C12 | N3 | 124.1° | 120.0° |
| C1 | C11 | N3 | C10 | 79.0° | 178.8° |
| C1 | C11 | C13 | H1 | 180.0° | 60.0° |
| C1 | C11 | C13 | H2 | 60.0° | 180.0° |
| C1 | C11 | C13 | H3 | 60.0° | 60.0° |
| C1 | C11 | C12 | H8 | 180.0° | 180.0° |
| C1 | C11 | C12 | H9 | 60.0° | 60.0° |
| C1 | C11 | C12 | H10 | 60.0° | 60.0° |
| C11 | C1 | C2 | H11 | 1.8° | 0.2° |
| C11 | C1 | C6 | H14 | 1.8° | 0.0° |
| C1 | C11 | N3 | H17 | 101.0° | 1.2° |
| C13 | C11 | C12 | N3 | 119.9° | 120.0° |
| C13 | C11 | N3 | C10 | 164.1° | 58.8° |
| C11 | C13 | H1 | H2 | 120.0° | 120.0° |
| C11 | C13 | H1 | H3 | 120.0° | 120.0° |
| C11 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C11 | C12 | H8 | 64.0° | 60.0° |
| C13 | C11 | C12 | H9 | 56.0° | 180.0° |
| C13 | C11 | C12 | H10 | 175.9° | 60.0° |
| C13 | C11 | N3 | H17 | 15.9° | 121.2° |
| C12 | C11 | N3 | C10 | 44.9° | 61.2° |
| C12 | C11 | C13 | H1 | 60.9° | 180.0° |
| C12 | C11 | C13 | H2 | 179.1° | 60.0° |
| C12 | C11 | C13 | H3 | 59.1° | 60.0° |
| C11 | C12 | H8 | H9 | 120.0° | 120.0° |
| C11 | C12 | H8 | H10 | 120.0° | 120.0° |
| C11 | C12 | H9 | H10 | 119.9° | 120.0° |
| C12 | C11 | N3 | H17 | 135.1° | 118.8° |
| C11 | N3 | C10 | H17 | 180.0° | 180.0° |
| C11 | N3 | C10 | O2 | 1.7° | 0.0° |
| C11 | N3 | C10 | N4 | 179.3° | 180.0° |
| N3 | C11 | C13 | H1 | 59.8° | 60.0° |
| N3 | C11 | C13 | H2 | 60.2° | 60.0° |
| N3 | C11 | C13 | H3 | 179.8° | 180.0° |
| N3 | C11 | C12 | H8 | 55.9° | 60.0° |
| N3 | C11 | C12 | H9 | 175.9° | 60.0° |
| N3 | C11 | C12 | H10 | 64.2° | 180.0° |
| N3 | C10 | O2 | N4 | 178.9° | 180.0° |
| N3 | C10 | N4 | C17 | 179.8° | 174.8° |
| N3 | C10 | N4 | H18 | 0.2° | 5.1° |
| O2 | C10 | N4 | C17 | 1.3° | 5.3° |
| O2 | C10 | N3 | H17 | 178.3° | 180.0° |
| O2 | C10 | N4 | H18 | 178.8° | 174.9° |
| C10 | N4 | C17 | H18 | 180.0° | 179.9° |
| C10 | N4 | C17 | C18 | 0.6° | 33.2° |
| C10 | N4 | C17 | C22 | 179.5° | 147.0° |
| N4 | C10 | N3 | H17 | 0.7° | 0.0° |
| N4 | C17 | C18 | C22 | 179.9° | 179.8° |
| N4 | C17 | C18 | C19 | 179.7° | 179.7° |
| N4 | C17 | C22 | C21 | 179.6° | 179.8° |
| N4 | C17 | C18 | H4 | 0.3° | 0.2° |
| N4 | C17 | C22 | H7 | 0.4° | 0.2° |
| C17 | C18 | C19 | H4 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C17 | C18 | C19 | H5 | 179.9° | 180.0° |
| C18 | C17 | C22 | H7 | 179.8° | 180.0° |
| C18 | C17 | N4 | H18 | 179.4° | 146.7° |
| C22 | C17 | C18 | C19 | 0.2° | 0.1° |
| C17 | C22 | C21 | H7 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.2° | 0.1° |
| C22 | C17 | C18 | H4 | 179.8° | 180.0° |
| C17 | C22 | C21 | H6 | 179.8° | 180.0° |
| C22 | C17 | N4 | H18 | 0.5° | 33.1° |
| C18 | C19 | C20 | H5 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | CL | 179.3° | 179.9° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C22 | C21 | C20 | H6 | 180.0° | 179.9° |
| C22 | C21 | C20 | CL | 179.3° | 180.0° |
| C19 | C20 | C21 | CL | 179.2° | 179.9° |
| C20 | C19 | C18 | H4 | 179.9° | 180.0° |
| C19 | C20 | C21 | H6 | 179.9° | 180.0° |
| C21 | C20 | C19 | H5 | 179.9° | 179.9° |
| C20 | C21 | C22 | H7 | 179.8° | 179.9° |
| CL | C20 | C19 | H5 | 0.7° | 0.0° |
| CL | C20 | C21 | H6 | 0.7° | 0.1° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H4 | C18 | C19 | H5 | 0.1° | 0.1° |
| H6 | C21 | C22 | H7 | 0.2° | 0.1° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
| H11 | C2 | C3 | H12 | 0.1° | 0.0° |
| H12 | C3 | C4 | H13 | 0.9° | 0.1° |
| H15 | N1 | O1 | H19 | 0.0° | 0.1° |
