EL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | doub | 1.33Å | 1.41Å | Aromatic |
| N1 | C11 | sing | 1.34Å | 1.41Å | Aromatic |
| N1 | PT1 | sing | 2.22Å | 2.04Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.37Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C3 | F1 | sing | 1.37Å | 1.36Å | |
| C4 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.45Å | Aromatic |
| C5 | F2 | sing | 1.34Å | 1.36Å | |
| C6 | C1 | doub | 1.35Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.47Å | |
| C1 | PT1 | sing | 2.07Å | 2.02Å | |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| PT1 | C12 | sing | 2.04Å | 2.18Å | |
| C12 | N3 | sing | 1.35Å | 1.44Å | |
| N3 | C15 | sing | 1.46Å | 1.46Å | |
| N3 | C14 | sing | 1.35Å | 1.37Å | |
| C14 | C13 | doub | 1.34Å | 1.36Å | |
| C13 | N2 | sing | 1.38Å | 1.34Å | |
| N2 | C16 | sing | 1.40Å | 1.38Å | |
| C16 | N4 | doub | 1.32Å | 1.22Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N4 | C20 | sing | 1.34Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 0.94Å | 1.08Å | |
| C4 | H4 | sing | 0.94Å | 1.08Å | |
| C8 | H8 | sing | 0.94Å | 1.08Å | |
| C9 | H9 | sing | 0.94Å | 1.08Å | |
| C10 | H10 | sing | 0.94Å | 1.08Å | |
| C11 | H11 | sing | 0.94Å | 1.08Å | |
| C15 | H15 | sing | 0.97Å | 1.10Å | |
| C15 | H9L | sing | 0.97Å | 1.10Å | |
| C15 | H9M | sing | 0.97Å | 1.10Å | |
| C14 | H14 | sing | 0.94Å | 1.08Å | |
| C13 | H13 | sing | 0.94Å | 1.08Å | |
| C20 | H20 | sing | 0.94Å | 1.08Å | |
| C19 | H19 | sing | 0.94Å | 1.08Å | |
| C18 | H18 | sing | 0.95Å | 1.08Å | |
| C17 | H17 | sing | 0.95Å | 1.08Å | |
| N2 | C12 | sing | 1.32Å | 1.46Å | |
| N4 | PT1 | sing | 2.24Å | 2.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C11 | 118.5° | 117.6° |
| C7 | N1 | PT1 | 115.7° | 81.2° |
| N1 | C7 | C6 | 113.3° | 113.9° |
| N1 | C7 | C8 | 119.5° | 122.9° |
| C11 | N1 | PT1 | 125.7° | 126.5° |
| N1 | C11 | C10 | 121.0° | 123.3° |
| N1 | C11 | H11 | 119.5° | 118.1° |
| N1 | PT1 | C1 | 80.3° | 92.7° |
| N1 | PT1 | C12 | 175.7° | 125.7° |
| N1 | PT1 | N4 | 108.1° | 119.7° |
| C3 | C2 | C1 | 121.5° | 118.4° |
| C2 | C3 | C4 | 120.4° | 120.5° |
| C2 | C3 | F1 | 119.9° | 120.5° |
| C3 | C2 | H2 | 119.3° | 120.1° |
| C2 | C1 | C6 | 119.1° | 120.7° |
| C2 | C1 | PT1 | 125.0° | 119.6° |
| C1 | C2 | H2 | 119.2° | 121.4° |
| C4 | C3 | F1 | 119.8° | 119.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.7° | 119.0° |
| C4 | C5 | F2 | 118.3° | 119.2° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C6 | C5 | F2 | 122.0° | 120.5° |
| C5 | C6 | C1 | 119.2° | 118.4° |
| C5 | C6 | C7 | 126.1° | 127.7° |
| C1 | C6 | C7 | 114.7° | 109.2° |
| C6 | C1 | PT1 | 115.8° | 86.0° |
| C6 | C7 | C8 | 127.2° | 123.2° |
| C1 | PT1 | C12 | 103.9° | 108.6° |
| C1 | PT1 | N4 | 171.6° | 122.4° |
| C7 | C8 | C9 | 120.4° | 118.8° |
| C7 | C8 | H8 | 119.8° | 120.5° |
| C8 | C9 | C10 | 120.3° | 118.9° |
| C9 | C8 | H8 | 119.8° | 120.7° |
| C8 | C9 | H9 | 119.9° | 120.5° |
| C9 | C10 | C11 | 120.3° | 118.4° |
| C10 | C9 | H9 | 119.9° | 120.6° |
| C9 | C10 | H10 | 119.8° | 120.9° |
| C11 | C10 | H10 | 119.8° | 120.8° |
| C10 | C11 | H11 | 119.5° | 118.6° |
| PT1 | C12 | N3 | 144.1° | 123.2° |
| PT1 | C12 | N2 | 116.5° | 89.3° |
| C12 | PT1 | N4 | 67.7° | 90.3° |
| C12 | N3 | C15 | 127.4° | 124.6° |
| C12 | N3 | C14 | 111.0° | 107.9° |
| N3 | C12 | N2 | 99.4° | 107.7° |
| C15 | N3 | C14 | 121.6° | 127.3° |
| N3 | C15 | H15 | 109.5° | 109.6° |
| N3 | C15 | H9L | 109.5° | 109.6° |
| N3 | C15 | H9M | 109.5° | 109.5° |
| N3 | C14 | C13 | 109.0° | 107.7° |
| N3 | C14 | H14 | 125.5° | 125.8° |
| C14 | C13 | N2 | 108.0° | 106.6° |
| C13 | C14 | H14 | 125.5° | 126.4° |
| C14 | C13 | H13 | 126.0° | 125.7° |
| C13 | N2 | C16 | 125.7° | 128.6° |
| N2 | C13 | H13 | 126.0° | 126.1° |
| C13 | N2 | C12 | 112.6° | 107.2° |
| N2 | C16 | N4 | 109.7° | 112.4° |
| N2 | C16 | C17 | 126.4° | 121.9° |
| C16 | N2 | C12 | 121.7° | 118.0° |
| N4 | C16 | C17 | 123.9° | 125.7° |
| C16 | N4 | C20 | 121.9° | 116.3° |
| C16 | N4 | PT1 | 124.4° | 83.3° |
| C16 | C17 | C18 | 118.3° | 116.8° |
| C16 | C17 | H17 | 120.9° | 121.6° |
| N4 | C20 | C19 | 118.6° | 123.2° |
| N4 | C20 | H20 | 120.7° | 118.2° |
| C20 | N4 | PT1 | 113.7° | 125.4° |
| C20 | C19 | C18 | 118.7° | 118.5° |
| C19 | C20 | H20 | 120.7° | 118.5° |
| C20 | C19 | H19 | 120.6° | 120.7° |
| C19 | C18 | C17 | 118.6° | 119.4° |
| C18 | C19 | H19 | 120.6° | 120.8° |
| C19 | C18 | H18 | 120.7° | 120.5° |
| C17 | C18 | H18 | 120.7° | 120.1° |
| C18 | C17 | H17 | 120.9° | 121.6° |
| H15 | C15 | H9L | 109.5° | 109.4° |
| H15 | C15 | H9M | 109.4° | 109.3° |
| H9L | C15 | H9M | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C11 | PT1 | 179.9° | 100.0° |
| N1 | C7 | C6 | C5 | 179.9° | 55.0° |
| N1 | C7 | C6 | C1 | 0.0° | 99.7° |
| N1 | C7 | C6 | C8 | 179.9° | 179.8° |
| C7 | N1 | PT1 | C1 | 0.1° | 17.6° |
| N1 | C7 | C8 | C9 | 0.0° | 0.1° |
| C7 | N1 | C11 | C10 | 0.1° | 1.6° |
| C7 | N1 | PT1 | C12 | 177.1° | 97.7° |
| N1 | C7 | C8 | H8 | 180.0° | 179.6° |
| C7 | N1 | C11 | H11 | 179.9° | 179.7° |
| C7 | N1 | PT1 | N4 | 179.7° | 147.7° |
| C11 | N1 | C7 | C6 | 180.0° | 178.9° |
| C11 | N1 | PT1 | C1 | 180.0° | 135.6° |
| C11 | N1 | C7 | C8 | 0.0° | 0.9° |
| N1 | C11 | C10 | C9 | 0.0° | 1.3° |
| N1 | C11 | C10 | H11 | 180.0° | 178.0° |
| C11 | N1 | PT1 | C12 | 2.9° | 20.3° |
| N1 | C11 | C10 | H10 | 179.9° | 179.2° |
| C11 | N1 | PT1 | N4 | 0.4° | 94.3° |
| N1 | PT1 | C1 | C2 | 179.9° | 145.4° |
| N1 | PT1 | C1 | C6 | 0.1° | 22.2° |
| PT1 | N1 | C7 | C6 | 0.1° | 54.3° |
| N1 | PT1 | C1 | C12 | 179.8° | 129.2° |
| N1 | PT1 | C1 | N4 | 177.4° | 128.2° |
| PT1 | N1 | C7 | C8 | 180.0° | 125.9° |
| PT1 | N1 | C11 | C10 | 180.0° | 98.4° |
| N1 | PT1 | C12 | N4 | 3.3° | 127.8° |
| N1 | PT1 | C12 | N3 | 175.5° | 6.9° |
| N1 | PT1 | N4 | C16 | 177.8° | 157.1° |
| N1 | PT1 | N4 | C20 | 0.7° | 85.2° |
| PT1 | N1 | C11 | H11 | 0.0° | 79.7° |
| N1 | PT1 | C12 | N2 | 4.4° | 117.7° |
| C3 | C2 | C1 | H2 | 180.0° | 175.8° |
| C2 | C3 | C4 | F1 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.0° | 2.7° |
| C3 | C2 | C1 | C6 | 0.1° | 12.5° |
| C3 | C2 | C1 | PT1 | 180.0° | 91.6° |
| C2 | C3 | C4 | H4 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.1° | 3.4° |
| C1 | C2 | C3 | F1 | 179.9° | 177.2° |
| C2 | C1 | C6 | C5 | 0.1° | 20.4° |
| C2 | C1 | C6 | PT1 | 179.9° | 122.3° |
| C2 | C1 | C6 | C7 | 179.9° | 177.9° |
| C2 | C1 | PT1 | C12 | 0.4° | 85.4° |
| C2 | C1 | PT1 | N4 | 2.5° | 17.3° |
| C3 | C4 | C5 | H4 | 180.0° | 177.9° |
| C3 | C4 | C5 | C6 | 0.0° | 10.6° |
| C3 | C4 | C5 | F2 | 179.9° | 177.7° |
| C4 | C3 | C2 | H2 | 179.9° | 179.3° |
| F1 | C3 | C4 | C5 | 180.0° | 177.9° |
| F1 | C3 | C2 | H2 | 0.1° | 1.3° |
| F1 | C3 | C4 | H4 | 0.0° | 0.1° |
| C4 | C5 | C6 | F2 | 179.9° | 167.0° |
| C4 | C5 | C6 | C1 | 0.0° | 19.3° |
| C4 | C5 | C6 | C7 | 180.0° | 172.1° |
| C5 | C6 | C1 | C7 | 180.0° | 157.4° |
| C5 | C6 | C1 | PT1 | 180.0° | 101.8° |
| C5 | C6 | C7 | C8 | 0.0° | 124.7° |
| C6 | C5 | C4 | H4 | 180.0° | 171.5° |
| F2 | C5 | C6 | C1 | 180.0° | 173.7° |
| F2 | C5 | C6 | C7 | 0.0° | 21.0° |
| F2 | C5 | C4 | H4 | 0.1° | 4.4° |
| C1 | C6 | C7 | C8 | 180.0° | 80.5° |
| C6 | C1 | PT1 | C12 | 179.7° | 151.4° |
| C6 | C1 | C2 | H2 | 179.9° | 171.7° |
| C6 | C1 | PT1 | N4 | 177.4° | 106.0° |
| C7 | C6 | C1 | PT1 | 0.0° | 55.6° |
| C6 | C7 | C8 | C9 | 179.9° | 179.9° |
| C6 | C7 | C8 | H8 | 0.1° | 0.7° |
| C1 | PT1 | C12 | N4 | 179.5° | 124.5° |
| C1 | PT1 | C12 | N3 | 1.6° | 114.6° |
| C1 | PT1 | N4 | C16 | 0.5° | 87.7° |
| C1 | PT1 | N4 | C20 | 176.5° | 30.0° |
| PT1 | C1 | C2 | H2 | 0.0° | 84.3° |
| C1 | PT1 | C12 | N2 | 178.5° | 134.6° |
| C7 | C8 | C9 | H8 | 180.0° | 179.5° |
| C7 | C8 | C9 | C10 | 0.0° | 0.4° |
| C7 | C8 | C9 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.0° | 0.3° |
| C8 | C9 | C10 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.5° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 179.9° | 179.4° |
| C11 | C10 | C9 | H9 | 180.0° | 179.5° |
| PT1 | C12 | N3 | N2 | 179.9° | 101.2° |
| PT1 | C12 | N3 | C15 | 0.0° | 86.1° |
| PT1 | C12 | N3 | C14 | 180.0° | 89.6° |
| PT1 | C12 | N2 | C13 | 180.0° | 107.8° |
| PT1 | C12 | N2 | C16 | 0.1° | 47.1° |
| C12 | PT1 | N4 | C16 | 2.5° | 24.7° |
| C12 | PT1 | N4 | C20 | 179.5° | 142.4° |
| C12 | N3 | C15 | C14 | 180.0° | 174.9° |
| C12 | N3 | C14 | C13 | 0.1° | 1.3° |
| N3 | C12 | N2 | C13 | 0.1° | 17.0° |
| N3 | C12 | N2 | C16 | 179.9° | 171.9° |
| C12 | N3 | C15 | H15 | 180.0° | 149.7° |
| C12 | N3 | C15 | H9L | 60.0° | 29.6° |
| C12 | N3 | C15 | H9M | 60.0° | 90.3° |
| C12 | N3 | C14 | H14 | 179.9° | 177.5° |
| N3 | C12 | PT1 | N4 | 178.8° | 120.9° |
| C15 | N3 | C14 | C13 | 179.9° | 176.9° |
| N3 | C15 | H15 | H9L | 120.0° | 120.3° |
| N3 | C15 | H15 | H9M | 120.0° | 120.1° |
| N3 | C15 | H9L | H9M | 120.0° | 120.1° |
| C15 | N3 | C14 | H14 | 0.1° | 1.8° |
| C15 | N3 | C12 | N2 | 179.9° | 172.7° |
| N3 | C14 | C13 | H14 | 180.0° | 178.7° |
| N3 | C14 | C13 | N2 | 0.0° | 8.9° |
| C14 | N3 | C15 | H15 | 0.0° | 35.4° |
| C14 | N3 | C15 | H9L | 120.0° | 155.5° |
| C14 | N3 | C15 | H9M | 120.0° | 84.6° |
| N3 | C14 | C13 | H13 | 180.0° | 175.1° |
| C14 | N3 | C12 | N2 | 0.1° | 11.5° |
| C14 | C13 | N2 | H13 | 180.0° | 166.1° |
| C14 | C13 | N2 | C16 | 179.9° | 167.6° |
| C14 | C13 | N2 | C12 | 0.0° | 16.1° |
| C13 | N2 | C16 | C12 | 179.9° | 148.8° |
| C13 | N2 | C16 | N4 | 178.0° | 57.8° |
| C13 | N2 | C16 | C17 | 2.1° | 122.6° |
| N2 | C13 | C14 | H14 | 180.0° | 172.4° |
| N2 | C16 | N4 | C17 | 179.9° | 179.6° |
| N2 | C16 | N4 | C20 | 179.8° | 178.7° |
| N2 | C16 | C17 | C18 | 179.8° | 179.8° |
| C16 | N2 | C13 | H13 | 0.1° | 26.4° |
| N2 | C16 | C17 | H17 | 0.2° | 0.2° |
| N2 | C16 | N4 | PT1 | 3.0° | 54.9° |
| C16 | N4 | C20 | PT1 | 177.1° | 101.1° |
| C16 | N4 | C20 | C19 | 0.0° | 2.2° |
| N4 | C16 | C17 | C18 | 0.0° | 0.6° |
| C16 | N4 | C20 | H20 | 180.0° | 179.8° |
| N4 | C16 | C17 | H17 | 180.0° | 179.4° |
| N4 | C16 | N2 | C12 | 1.9° | 91.0° |
| C17 | C16 | N4 | C20 | 0.0° | 1.7° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C16 | N2 | C12 | 178.0° | 88.6° |
| C17 | C16 | N4 | PT1 | 176.9° | 124.7° |
| N4 | C20 | C19 | H20 | 180.0° | 177.6° |
| N4 | C20 | C19 | C18 | 0.1° | 1.6° |
| N4 | C20 | C19 | H19 | 179.9° | 178.9° |
| C20 | C19 | C18 | H19 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 0.1° | 0.5° |
| C20 | C19 | C18 | H18 | 179.9° | 179.4° |
| C19 | C20 | N4 | PT1 | 177.1° | 98.9° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C18 | C19 | C20 | H20 | 179.9° | 179.3° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| H8 | C8 | C9 | H9 | 0.1° | 0.4° |
| H9 | C9 | C10 | H10 | 0.0° | 0.0° |
| H10 | C10 | C11 | H11 | 0.1° | 1.1° |
| H15 | C15 | H9L | H9M | 120.0° | 119.7° |
| H14 | C14 | C13 | H13 | 0.1° | 6.2° |
| H13 | C13 | N2 | C12 | 180.0° | 177.8° |
| H20 | C20 | C19 | H19 | 0.1° | 1.3° |
| H20 | C20 | N4 | PT1 | 2.9° | 78.7° |
| H19 | C19 | C18 | H18 | 0.1° | 0.0° |
| H18 | C18 | C17 | H17 | 0.0° | 0.1° |
| N2 | C12 | PT1 | N4 | 1.0° | 10.1° |
