L8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.45Å | 1.39Å | |
| C18 | N2 | sing | 1.36Å | 1.29Å | Aromatic |
| C18 | C23 | doub | 1.42Å | 1.44Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C6 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | C5 | sing | 1.45Å | 1.58Å | Aromatic |
| O1 | C2 | sing | 1.34Å | 1.37Å | |
| O2 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C7 | N1 | sing | 1.47Å | 1.49Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C8 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.50Å | |
| C16 | O4 | doub | 1.21Å | 1.22Å | |
| C16 | O5 | sing | 1.35Å | 1.36Å | |
| O5 | C17 | sing | 1.45Å | 1.38Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C9 | CL1 | sing | 1.80Å | 1.83Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 122.1° | 122.3° |
| C20 | C19 | C18 | 117.5° | 116.9° |
| C20 | C19 | H4 | 121.3° | 121.6° |
| C19 | C20 | H5 | 119.0° | 118.8° |
| C20 | C21 | C22 | 120.7° | 122.1° |
| C21 | C20 | H5 | 118.9° | 118.9° |
| C20 | C21 | H19 | 119.6° | 118.9° |
| C19 | C18 | N2 | 134.4° | 132.1° |
| C19 | C18 | C23 | 121.4° | 120.5° |
| C18 | C19 | H4 | 121.3° | 121.5° |
| C21 | C22 | C23 | 119.5° | 116.8° |
| C22 | C21 | H19 | 119.6° | 119.0° |
| C21 | C22 | H20 | 120.2° | 121.6° |
| C1 | O1 | C2 | 115.6° | 117.0° |
| O1 | C1 | H9 | 109.5° | 109.5° |
| O1 | C1 | H10 | 109.5° | 109.5° |
| O1 | C1 | H11 | 109.5° | 109.5° |
| N2 | C18 | C23 | 104.3° | 107.3° |
| C18 | N2 | C6 | 120.8° | 109.7° |
| C18 | N2 | H22 | 119.6° | 125.1° |
| C18 | C23 | C22 | 118.9° | 121.4° |
| C18 | C23 | C5 | 105.0° | 106.0° |
| C22 | C23 | C5 | 136.1° | 132.6° |
| C23 | C22 | H20 | 120.3° | 121.6° |
| N2 | C6 | C5 | 104.9° | 110.0° |
| N2 | C6 | C7 | 129.5° | 126.6° |
| C6 | N2 | H22 | 119.6° | 125.1° |
| C23 | C5 | C6 | 105.1° | 106.9° |
| C23 | C5 | C4 | 134.3° | 128.2° |
| O1 | C2 | O2 | 120.2° | 120.0° |
| O1 | C2 | C3 | 119.5° | 120.0° |
| O2 | C2 | C3 | 120.3° | 120.0° |
| C2 | C3 | C4 | 110.0° | 109.6° |
| C2 | C3 | N1 | 111.7° | 109.6° |
| C2 | C3 | H21 | 108.5° | 109.5° |
| C5 | C6 | C7 | 125.6° | 123.4° |
| C6 | C5 | C4 | 120.6° | 124.8° |
| C6 | C7 | N1 | 109.7° | 107.5° |
| C6 | C7 | C10 | 106.7° | 109.8° |
| C6 | C7 | H3 | 109.6° | 109.8° |
| C5 | C4 | C3 | 108.0° | 109.0° |
| C5 | C4 | H1 | 109.9° | 109.6° |
| C5 | C4 | H2 | 109.9° | 109.7° |
| N1 | C7 | C10 | 111.0° | 109.8° |
| C7 | N1 | C3 | 121.5° | 118.3° |
| C7 | N1 | C8 | 120.8° | 120.9° |
| N1 | C7 | H3 | 110.0° | 109.9° |
| C7 | C10 | C11 | 121.5° | 119.8° |
| C7 | C10 | C15 | 118.7° | 119.9° |
| C10 | C7 | H3 | 109.8° | 109.9° |
| C4 | C3 | N1 | 110.0° | 109.0° |
| C3 | C4 | H1 | 109.8° | 109.6° |
| C3 | C4 | H2 | 109.8° | 109.5° |
| C4 | C3 | H21 | 107.8° | 109.5° |
| C3 | N1 | C8 | 117.8° | 120.9° |
| N1 | C3 | H21 | 108.8° | 109.7° |
| N1 | C8 | O3 | 122.5° | 120.0° |
| N1 | C8 | C9 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | C15 | 119.7° | 120.3° |
| C10 | C11 | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | 119.8° | 119.8° |
| C12 | C11 | H12 | 120.0° | 119.9° |
| C11 | C12 | H13 | 120.1° | 120.1° |
| C10 | C15 | C14 | 120.3° | 120.2° |
| C10 | C15 | H15 | 119.9° | 119.9° |
| C12 | C13 | C14 | 119.9° | 119.7° |
| C12 | C13 | C16 | 121.7° | 120.1° |
| C13 | C12 | H13 | 120.1° | 120.1° |
| O3 | C8 | C9 | 117.7° | 120.0° |
| C8 | C9 | H6 | 108.8° | 109.5° |
| C8 | C9 | H7 | 108.8° | 109.5° |
| C8 | C9 | CL1 | 112.2° | 109.5° |
| C15 | C14 | C13 | 120.4° | 119.8° |
| C15 | C14 | H14 | 119.8° | 120.1° |
| C14 | C15 | H15 | 119.9° | 119.9° |
| C14 | C13 | C16 | 118.5° | 120.2° |
| C13 | C14 | H14 | 119.8° | 120.1° |
| C13 | C16 | O4 | 120.9° | 120.1° |
| C13 | C16 | O5 | 118.8° | 120.0° |
| O4 | C16 | O5 | 120.3° | 119.9° |
| C16 | O5 | C17 | 114.8° | 117.1° |
| O5 | C17 | H16 | 109.5° | 109.5° |
| O5 | C17 | H17 | 109.5° | 109.4° |
| O5 | C17 | H18 | 109.4° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | CL1 | 108.8° | 109.4° |
| H7 | C9 | CL1 | 108.8° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.4° |
| H16 | C17 | H18 | 109.4° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H5 | 180.0° | 180.0° |
| C20 | C19 | C18 | H4 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.4° | 0.1° |
| C20 | C19 | C18 | N2 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.6° | 0.1° |
| C19 | C20 | C21 | H19 | 179.6° | 180.0° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C20 | C21 | C22 | H19 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C21 | C20 | C19 | H4 | 179.5° | 179.9° |
| C20 | C21 | C22 | H20 | 179.5° | 179.9° |
| C19 | C18 | N2 | C23 | 179.5° | 179.9° |
| C19 | C18 | C23 | C22 | 0.6° | 0.1° |
| C19 | C18 | N2 | C6 | 179.3° | 180.0° |
| C19 | C18 | C23 | C5 | 179.7° | 179.9° |
| C18 | C19 | C20 | H5 | 179.5° | 180.0° |
| C19 | C18 | N2 | H22 | 0.7° | 0.1° |
| C21 | C22 | C23 | C18 | 0.6° | 0.1° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C21 | C22 | C23 | C5 | 179.8° | 179.9° |
| C22 | C21 | C20 | H5 | 179.6° | 179.9° |
| C1 | O1 | C2 | O2 | 12.5° | 0.0° |
| C1 | O1 | C2 | C3 | 167.9° | 180.0° |
| O1 | C1 | H9 | H10 | 120.0° | 120.0° |
| O1 | C1 | H9 | H11 | 120.0° | 120.0° |
| O1 | C1 | H10 | H11 | 120.0° | 120.0° |
| N2 | C18 | C23 | C22 | 179.8° | 179.9° |
| C18 | N2 | C6 | H22 | 180.0° | 179.9° |
| N2 | C18 | C23 | C5 | 0.1° | 0.0° |
| C18 | N2 | C6 | C5 | 0.3° | 0.2° |
| C18 | N2 | C6 | C7 | 179.8° | 179.8° |
| N2 | C18 | C19 | H4 | 0.0° | 0.1° |
| C18 | C23 | C22 | C5 | 179.6° | 180.0° |
| C23 | C18 | N2 | C6 | 0.2° | 0.1° |
| C18 | C23 | C5 | C6 | 0.3° | 0.1° |
| C18 | C23 | C5 | C4 | 179.8° | 179.6° |
| C23 | C18 | C19 | H4 | 179.4° | 180.0° |
| C18 | C23 | C22 | H20 | 179.4° | 180.0° |
| C23 | C18 | N2 | H22 | 179.8° | 180.0° |
| C22 | C23 | C5 | C6 | 179.9° | 179.8° |
| C22 | C23 | C5 | C4 | 0.6° | 0.5° |
| C23 | C22 | C21 | H19 | 179.5° | 180.0° |
| N2 | C6 | C5 | C23 | 0.3° | 0.2° |
| N2 | C6 | C5 | C7 | 179.5° | 180.0° |
| N2 | C6 | C5 | C4 | 179.9° | 179.5° |
| N2 | C6 | C7 | N1 | 172.1° | 168.6° |
| N2 | C6 | C7 | C10 | 67.6° | 71.9° |
| N2 | C6 | C7 | H3 | 51.2° | 49.1° |
| C23 | C5 | C6 | C4 | 179.6° | 179.7° |
| C23 | C5 | C6 | C7 | 179.8° | 179.8° |
| C23 | C5 | C4 | C3 | 148.3° | 162.4° |
| C23 | C5 | C4 | H1 | 28.6° | 42.5° |
| C23 | C5 | C4 | H2 | 91.9° | 77.7° |
| C5 | C23 | C22 | H20 | 0.2° | 0.0° |
| O1 | C2 | O2 | C3 | 179.6° | 180.0° |
| O1 | C2 | C3 | C4 | 31.5° | 144.1° |
| O1 | C2 | C3 | N1 | 154.0° | 96.4° |
| C2 | O1 | C1 | H9 | 180.0° | 60.0° |
| C2 | O1 | C1 | H10 | 60.0° | 60.0° |
| C2 | O1 | C1 | H11 | 60.0° | 180.0° |
| O1 | C2 | C3 | H21 | 86.1° | 23.9° |
| O2 | C2 | C3 | C4 | 148.1° | 36.0° |
| O2 | C2 | C3 | N1 | 25.6° | 83.5° |
| O2 | C2 | C3 | H21 | 94.3° | 156.1° |
| C2 | C3 | C4 | C5 | 69.6° | 165.1° |
| C2 | C3 | N1 | C7 | 70.6° | 175.8° |
| C2 | C3 | C4 | N1 | 123.5° | 119.9° |
| C2 | C3 | C4 | H21 | 118.0° | 120.2° |
| C2 | C3 | N1 | H21 | 119.7° | 120.2° |
| C2 | C3 | N1 | C8 | 109.5° | 4.2° |
| C2 | C3 | C4 | H1 | 50.2° | 75.0° |
| C2 | C3 | C4 | H2 | 170.7° | 45.1° |
| C5 | C6 | C7 | N1 | 8.6° | 11.3° |
| C5 | C6 | C7 | C10 | 111.7° | 108.1° |
| C6 | C5 | C4 | C3 | 31.1° | 17.9° |
| C6 | C5 | C4 | H1 | 150.9° | 137.8° |
| C6 | C5 | C4 | H2 | 88.6° | 102.0° |
| C5 | C6 | C7 | H3 | 129.5° | 130.8° |
| C5 | C6 | N2 | H22 | 179.7° | 179.9° |
| C7 | C6 | C5 | C4 | 0.6° | 0.5° |
| C6 | C7 | N1 | C10 | 117.7° | 119.5° |
| C6 | C7 | N1 | H3 | 120.6° | 119.5° |
| C6 | C7 | C10 | H3 | 118.7° | 121.0° |
| C6 | C7 | N1 | C3 | 19.3° | 44.4° |
| C6 | C7 | N1 | C8 | 160.6° | 135.6° |
| C6 | C7 | C10 | C11 | 116.4° | 125.5° |
| C6 | C7 | C10 | C15 | 65.1° | 54.7° |
| C7 | C6 | N2 | H22 | 0.2° | 0.1° |
| C5 | C4 | C3 | H1 | 119.8° | 119.9° |
| C5 | C4 | C3 | H2 | 119.8° | 120.0° |
| C5 | C4 | C3 | N1 | 54.0° | 45.2° |
| C5 | C4 | H1 | H2 | 120.7° | 120.3° |
| C5 | C4 | C3 | H21 | 172.4° | 74.7° |
| N1 | C7 | C10 | H3 | 121.8° | 121.0° |
| C7 | N1 | C3 | C4 | 51.9° | 64.3° |
| C7 | N1 | C3 | C8 | 179.9° | 179.9° |
| N1 | C7 | C10 | C11 | 124.1° | 116.5° |
| N1 | C7 | C10 | C15 | 54.4° | 63.3° |
| C7 | N1 | C8 | O3 | 0.9° | 174.2° |
| C7 | N1 | C8 | C9 | 179.4° | 5.9° |
| C7 | N1 | C3 | H21 | 169.7° | 55.6° |
| C10 | C7 | N1 | C3 | 137.0° | 75.1° |
| C10 | C7 | N1 | C8 | 42.9° | 105.0° |
| C7 | C10 | C11 | C15 | 178.4° | 179.8° |
| C7 | C10 | C11 | C12 | 179.4° | 179.8° |
| C7 | C10 | C15 | C14 | 179.8° | 179.8° |
| C7 | C10 | C11 | H12 | 0.5° | 0.2° |
| C7 | C10 | C15 | H15 | 0.2° | 0.0° |
| C4 | C3 | N1 | H21 | 117.8° | 119.9° |
| C4 | C3 | N1 | C8 | 128.0° | 115.6° |
| C3 | C4 | H1 | H2 | 120.6° | 120.2° |
| C3 | N1 | C8 | O3 | 179.2° | 5.8° |
| C3 | N1 | C8 | C9 | 0.5° | 174.1° |
| N1 | C3 | C4 | H1 | 173.7° | 165.1° |
| N1 | C3 | C4 | H2 | 65.8° | 74.7° |
| C3 | N1 | C7 | H3 | 101.3° | 163.9° |
| N1 | C8 | O3 | C9 | 179.7° | 179.9° |
| C8 | N1 | C7 | H3 | 78.8° | 16.1° |
| N1 | C8 | C9 | H6 | 158.3° | 65.0° |
| N1 | C8 | C9 | H7 | 39.1° | 55.0° |
| C8 | N1 | C3 | H21 | 10.2° | 124.5° |
| N1 | C8 | C9 | CL1 | 81.3° | 175.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | C14 | 1.3° | 0.0° |
| C11 | C10 | C7 | H3 | 2.3° | 4.5° |
| C10 | C11 | C12 | H13 | 179.9° | 180.0° |
| C11 | C10 | C15 | H15 | 178.7° | 179.8° |
| C12 | C11 | C10 | C15 | 1.0° | 0.1° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.1° |
| C11 | C12 | C13 | C16 | 179.6° | 180.0° |
| C10 | C15 | C14 | H15 | 180.0° | 179.8° |
| C10 | C15 | C14 | C13 | 0.8° | 0.0° |
| C15 | C10 | C7 | H3 | 176.2° | 175.7° |
| C15 | C10 | C11 | H12 | 179.0° | 180.0° |
| C10 | C15 | C14 | H14 | 179.2° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | C16 | 180.0° | 179.9° |
| C12 | C13 | C16 | O4 | 18.6° | 0.1° |
| C12 | C13 | C16 | O5 | 160.9° | 180.0° |
| C13 | C12 | C11 | H12 | 179.9° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| O3 | C8 | C9 | H6 | 21.5° | 115.1° |
| O3 | C8 | C9 | H7 | 140.7° | 124.9° |
| O3 | C8 | C9 | CL1 | 98.9° | 4.9° |
| C8 | C9 | H6 | H7 | 118.7° | 120.1° |
| C8 | C9 | H6 | CL1 | 122.5° | 120.0° |
| C8 | C9 | H7 | CL1 | 122.5° | 120.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C16 | 179.9° | 180.0° |
| C14 | C13 | C16 | O4 | 161.4° | 180.0° |
| C14 | C13 | C16 | O5 | 19.2° | 0.1° |
| C14 | C13 | C12 | H13 | 179.5° | 180.0° |
| C13 | C14 | C15 | H15 | 179.3° | 179.7° |
| C13 | C16 | O4 | O5 | 179.4° | 179.9° |
| C13 | C16 | O5 | C17 | 126.8° | 180.0° |
| C16 | C13 | C12 | H13 | 0.5° | 0.1° |
| C16 | C13 | C14 | H14 | 0.1° | 0.1° |
| O4 | C16 | O5 | C17 | 53.7° | 0.1° |
| C16 | O5 | C17 | H16 | 180.0° | 59.9° |
| C16 | O5 | C17 | H17 | 60.0° | 60.0° |
| C16 | O5 | C17 | H18 | 60.0° | 180.0° |
| O5 | C17 | H16 | H17 | 120.0° | 119.9° |
| O5 | C17 | H16 | H18 | 120.0° | 120.1° |
| O5 | C17 | H17 | H18 | 120.0° | 120.0° |
| H1 | C4 | C3 | H21 | 67.8° | 45.2° |
| H2 | C4 | C3 | H21 | 52.6° | 165.3° |
| H4 | C19 | C20 | H5 | 0.5° | 0.0° |
| H5 | C20 | C21 | H19 | 0.4° | 0.0° |
| H6 | C9 | H7 | CL1 | 118.7° | 119.9° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | C12 | H13 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.7° | 0.2° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
| H19 | C21 | C22 | H20 | 0.5° | 0.0° |
