KA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.55Å | 1.50Å | |
| C21 | F24 | sing | 1.40Å | 1.37Å | |
| C21 | C20 | sing | 1.55Å | 1.51Å | |
| C22 | N23 | sing | 1.48Å | 1.46Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C19 | N23 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | N17 | sing | 1.35Å | 1.37Å | |
| C18 | O25 | doub | 1.21Å | 1.22Å | |
| N17 | C15 | sing | 1.46Å | 1.45Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | N27 | sing | 1.47Å | 1.44Å | |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.45Å | |
| C8 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.43Å | 1.42Å | |
| C2 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | N26 | trip | 1.14Å | 1.16Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| N23 | H18 | sing | 1.01Å | 1.00Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| N17 | H22 | sing | 0.97Å | 1.00Å | |
| N27 | H23 | sing | 1.01Å | 1.00Å | |
| N27 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | F24 | 106.2° | 111.0° |
| C22 | C21 | C20 | 102.2° | 101.7° |
| C21 | C22 | N23 | 107.3° | 104.8° |
| C22 | C21 | H15 | 112.3° | 111.0° |
| C21 | C22 | H16 | 110.0° | 110.4° |
| C21 | C22 | H17 | 110.0° | 110.4° |
| F24 | C21 | C20 | 108.6° | 111.0° |
| F24 | C21 | H15 | 114.5° | 110.9° |
| C21 | C20 | C19 | 106.7° | 103.0° |
| C21 | C20 | H13 | 110.1° | 110.7° |
| C21 | C20 | H14 | 110.2° | 110.9° |
| C20 | C21 | H15 | 112.1° | 111.0° |
| C22 | N23 | C19 | 105.0° | 108.6° |
| N23 | C22 | H16 | 110.0° | 110.3° |
| N23 | C22 | H17 | 110.0° | 110.4° |
| C22 | N23 | H18 | 110.5° | 111.0° |
| C20 | C19 | N23 | 107.0° | 107.2° |
| C20 | C19 | C18 | 108.9° | 109.9° |
| C20 | C19 | H12 | 110.6° | 110.0° |
| C19 | C20 | H13 | 110.2° | 110.7° |
| C19 | C20 | H14 | 110.1° | 110.7° |
| N23 | C19 | C18 | 107.9° | 109.8° |
| N23 | C19 | H12 | 111.5° | 109.9° |
| C19 | N23 | H18 | 110.6° | 111.1° |
| C19 | C18 | N17 | 112.3° | 120.0° |
| C19 | C18 | O25 | 124.7° | 120.0° |
| C18 | C19 | H12 | 110.9° | 109.9° |
| N17 | C18 | O25 | 123.0° | 120.0° |
| C18 | N17 | C15 | 120.9° | 119.9° |
| C18 | N17 | H22 | 119.6° | 120.0° |
| N17 | C15 | C16 | 107.1° | 109.5° |
| N17 | C15 | C14 | 108.4° | 109.4° |
| N17 | C15 | H9 | 110.4° | 109.5° |
| C15 | N17 | H22 | 119.6° | 120.1° |
| C9 | C10 | C11 | 119.9° | 120.1° |
| C10 | C9 | C8 | 121.2° | 119.9° |
| C10 | C9 | H3 | 119.4° | 120.0° |
| C9 | C10 | H4 | 120.0° | 120.0° |
| C10 | C11 | C14 | 119.5° | 119.9° |
| C10 | C11 | C12 | 119.9° | 120.3° |
| C11 | C10 | H4 | 120.0° | 119.9° |
| C9 | C8 | C5 | 120.3° | 120.1° |
| C9 | C8 | C13 | 118.1° | 119.8° |
| C8 | C9 | H3 | 119.4° | 120.1° |
| C3 | C4 | C5 | 121.3° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.0° |
| C4 | C3 | H1 | 120.4° | 120.1° |
| C3 | C4 | H20 | 119.3° | 120.0° |
| C4 | C5 | C8 | 121.5° | 119.9° |
| C4 | C5 | C6 | 118.4° | 120.1° |
| C5 | C4 | H20 | 119.4° | 120.0° |
| C15 | C16 | N27 | 115.0° | 109.4° |
| C16 | C15 | C14 | 112.2° | 109.4° |
| C16 | C15 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 108.1° | 109.4° |
| C15 | C16 | H11 | 108.1° | 109.5° |
| N27 | C16 | H10 | 108.1° | 109.5° |
| N27 | C16 | H11 | 108.1° | 109.5° |
| C16 | N27 | H23 | 109.5° | 111.0° |
| C16 | N27 | H24 | 109.4° | 111.0° |
| C3 | C2 | C1 | 121.1° | 120.1° |
| C3 | C2 | C7 | 120.3° | 119.9° |
| C2 | C3 | H1 | 120.4° | 119.9° |
| C15 | C14 | C11 | 111.4° | 109.5° |
| C15 | C14 | H7 | 109.0° | 109.4° |
| C15 | C14 | H8 | 109.0° | 109.5° |
| C14 | C15 | H9 | 109.3° | 109.5° |
| C14 | C11 | C12 | 120.5° | 119.9° |
| C11 | C14 | H7 | 109.0° | 109.5° |
| C11 | C14 | H8 | 109.0° | 109.4° |
| C11 | C12 | C13 | 119.3° | 120.1° |
| C11 | C12 | H5 | 120.3° | 119.9° |
| C5 | C8 | C13 | 121.6° | 120.1° |
| C8 | C5 | C6 | 120.1° | 120.0° |
| C8 | C13 | C12 | 121.5° | 119.9° |
| C8 | C13 | H6 | 119.2° | 120.1° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C5 | C6 | H21 | 119.6° | 120.0° |
| C1 | C2 | C7 | 118.5° | 120.0° |
| C2 | C1 | N26 | 178.5° | 180.0° |
| C2 | C7 | C6 | 119.9° | 119.9° |
| C2 | C7 | H2 | 120.0° | 120.0° |
| C13 | C12 | H5 | 120.3° | 119.9° |
| C12 | C13 | H6 | 119.3° | 120.1° |
| C6 | C7 | H2 | 120.1° | 120.0° |
| C7 | C6 | H21 | 119.6° | 119.9° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 110.6° |
| H16 | C22 | H17 | 109.5° | 110.4° |
| H23 | N27 | H24 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | F24 | C20 | 109.3° | 112.3° |
| C22 | C21 | F24 | H15 | 124.5° | 123.9° |
| C22 | C21 | C20 | H15 | 120.5° | 118.1° |
| C21 | C22 | N23 | H16 | 119.7° | 118.9° |
| C21 | C22 | N23 | H17 | 119.6° | 118.8° |
| C22 | C21 | C20 | C19 | 20.8° | 35.7° |
| C21 | C22 | N23 | C19 | 33.7° | 24.0° |
| C22 | C21 | C20 | H13 | 98.8° | 82.7° |
| C22 | C21 | C20 | H14 | 140.3° | 154.1° |
| C21 | C22 | H16 | H17 | 121.0° | 122.3° |
| C21 | C22 | N23 | H18 | 85.6° | 146.4° |
| F24 | C21 | C20 | H15 | 127.6° | 123.8° |
| F24 | C21 | C22 | N23 | 80.0° | 155.1° |
| F24 | C21 | C20 | C19 | 91.2° | 153.8° |
| F24 | C21 | C20 | H13 | 149.3° | 35.4° |
| F24 | C21 | C20 | H14 | 28.3° | 87.8° |
| F24 | C21 | C22 | H16 | 39.7° | 36.3° |
| F24 | C21 | C22 | H17 | 160.4° | 86.0° |
| C20 | C21 | C22 | N23 | 33.8° | 37.1° |
| C21 | C20 | C19 | H13 | 119.5° | 118.4° |
| C21 | C20 | C19 | H14 | 119.5° | 118.6° |
| C21 | C20 | C19 | N23 | 1.3° | 22.3° |
| C21 | C20 | C19 | C18 | 115.0° | 141.6° |
| C21 | C20 | C19 | H12 | 122.9° | 97.2° |
| C21 | C20 | H13 | H14 | 121.3° | 123.3° |
| C20 | C21 | C22 | H16 | 153.4° | 81.8° |
| C20 | C21 | C22 | H17 | 85.9° | 155.9° |
| C22 | N23 | C19 | C20 | 19.4° | 0.9° |
| C22 | N23 | C19 | H18 | 119.3° | 122.4° |
| C22 | N23 | C19 | C18 | 136.4° | 118.4° |
| C22 | N23 | C19 | H12 | 101.6° | 120.5° |
| N23 | C22 | C21 | H15 | 154.1° | 81.1° |
| N23 | C22 | H16 | H17 | 121.0° | 122.3° |
| C20 | C19 | N23 | C18 | 117.0° | 119.3° |
| C20 | C19 | N23 | H12 | 121.1° | 119.6° |
| C20 | C19 | C18 | H12 | 121.9° | 121.2° |
| C20 | C19 | C18 | N17 | 65.7° | 80.9° |
| C20 | C19 | C18 | O25 | 114.6° | 99.2° |
| C19 | C20 | H13 | H14 | 121.3° | 123.1° |
| C19 | C20 | C21 | H15 | 141.2° | 82.5° |
| C20 | C19 | N23 | H18 | 99.8° | 123.3° |
| N23 | C19 | C18 | H12 | 122.3° | 121.1° |
| N23 | C19 | C18 | N17 | 178.5° | 161.4° |
| N23 | C19 | C18 | O25 | 1.1° | 18.5° |
| N23 | C19 | C20 | H13 | 118.2° | 96.0° |
| N23 | C19 | C20 | H14 | 120.9° | 140.9° |
| C19 | N23 | C22 | H16 | 153.4° | 94.8° |
| C19 | N23 | C22 | H17 | 85.9° | 142.9° |
| C19 | C18 | N17 | O25 | 179.7° | 179.9° |
| C19 | C18 | N17 | C15 | 167.2° | 180.0° |
| C18 | C19 | C20 | H13 | 125.4° | 23.3° |
| C18 | C19 | C20 | H14 | 4.5° | 99.8° |
| C18 | C19 | N23 | H18 | 17.2° | 4.0° |
| C19 | C18 | N17 | H22 | 12.9° | 0.1° |
| C18 | N17 | C15 | H22 | 180.0° | 179.9° |
| C18 | N17 | C15 | C16 | 120.6° | 85.0° |
| C18 | N17 | C15 | C14 | 118.2° | 155.0° |
| C18 | N17 | C15 | H9 | 1.5° | 35.1° |
| N17 | C18 | C19 | H12 | 56.2° | 40.4° |
| O25 | C18 | N17 | C15 | 12.5° | 0.1° |
| O25 | C18 | C19 | H12 | 123.5° | 139.6° |
| O25 | C18 | N17 | H22 | 167.5° | 180.0° |
| N17 | C15 | C16 | C14 | 118.8° | 119.9° |
| N17 | C15 | C16 | H9 | 119.7° | 120.1° |
| N17 | C15 | C16 | N27 | 176.5° | 55.1° |
| N17 | C15 | C14 | H9 | 120.3° | 120.0° |
| N17 | C15 | C14 | C11 | 53.4° | 65.0° |
| N17 | C15 | C14 | H7 | 66.9° | 175.0° |
| N17 | C15 | C14 | H8 | 173.7° | 55.0° |
| N17 | C15 | C16 | H10 | 55.7° | 175.0° |
| N17 | C15 | C16 | H11 | 62.7° | 64.9° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | C14 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C10 | C9 | C8 | C5 | 179.4° | 180.0° |
| C10 | C9 | C8 | C13 | 0.9° | 0.3° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C14 | C15 | 95.5° | 90.0° |
| C10 | C11 | C14 | C12 | 179.2° | 180.0° |
| C10 | C11 | C12 | C13 | 1.2° | 0.3° |
| C11 | C10 | C9 | H3 | 179.6° | 180.0° |
| C10 | C11 | C12 | H5 | 178.8° | 180.0° |
| C10 | C11 | C14 | H7 | 24.8° | 150.0° |
| C10 | C11 | C14 | H8 | 144.2° | 30.1° |
| C9 | C8 | C5 | C4 | 11.1° | 0.3° |
| C9 | C8 | C5 | C13 | 178.4° | 179.7° |
| C9 | C8 | C5 | C6 | 167.7° | 179.4° |
| C9 | C8 | C13 | C12 | 0.4° | 0.6° |
| C8 | C9 | C10 | H4 | 179.6° | 180.0° |
| C9 | C8 | C13 | H6 | 179.6° | 179.7° |
| C3 | C4 | C5 | H20 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C8 | 178.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.4° |
| C4 | C3 | C2 | C1 | 179.4° | 180.0° |
| C4 | C3 | C2 | C7 | 0.8° | 0.2° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C8 | C6 | 178.8° | 179.7° |
| C4 | C5 | C8 | C13 | 170.5° | 180.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.3° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | H21 | 179.4° | 179.7° |
| C15 | C16 | N27 | H10 | 120.8° | 119.9° |
| C15 | C16 | N27 | H11 | 120.8° | 120.0° |
| C16 | C15 | C14 | H9 | 121.6° | 120.0° |
| C16 | C15 | C14 | C11 | 171.5° | 175.0° |
| C16 | C15 | C14 | H7 | 51.2° | 55.0° |
| C16 | C15 | C14 | H8 | 68.2° | 65.0° |
| C15 | C16 | H10 | H11 | 117.5° | 120.0° |
| C16 | C15 | N17 | H22 | 59.4° | 94.9° |
| C15 | C16 | N27 | H23 | 180.0° | 56.1° |
| C15 | C16 | N27 | H24 | 60.0° | 180.0° |
| N27 | C16 | C15 | C14 | 57.6° | 175.0° |
| N27 | C16 | C15 | H9 | 63.8° | 65.0° |
| N27 | C16 | H10 | H11 | 117.5° | 120.0° |
| C16 | N27 | H23 | H24 | 120.0° | 123.9° |
| C3 | C2 | C1 | C7 | 179.7° | 179.8° |
| C3 | C2 | C1 | N26 | 126.6° | 124.3° |
| C3 | C2 | C7 | C6 | 0.9° | 0.3° |
| C3 | C2 | C7 | H2 | 179.1° | 179.7° |
| C2 | C3 | C4 | H20 | 180.0° | 180.0° |
| C15 | C14 | C11 | H7 | 120.3° | 120.0° |
| C15 | C14 | C11 | H8 | 120.3° | 120.1° |
| C15 | C14 | C11 | C12 | 85.3° | 90.0° |
| C15 | C14 | H7 | H8 | 119.1° | 120.1° |
| C14 | C15 | C16 | H10 | 63.2° | 65.0° |
| C14 | C15 | C16 | H11 | 178.4° | 55.0° |
| C14 | C15 | N17 | H22 | 61.9° | 25.0° |
| C14 | C11 | C12 | C13 | 179.6° | 179.7° |
| C14 | C11 | C10 | H4 | 0.1° | 0.0° |
| C14 | C11 | C12 | H5 | 0.4° | 0.0° |
| C11 | C14 | H7 | H8 | 119.1° | 119.9° |
| C11 | C14 | C15 | H9 | 66.9° | 55.0° |
| C11 | C12 | C13 | C8 | 0.6° | 0.6° |
| C11 | C12 | C13 | H5 | 180.0° | 179.6° |
| C12 | C11 | C10 | H4 | 179.4° | 180.0° |
| C11 | C12 | C13 | H6 | 179.3° | 179.7° |
| C12 | C11 | C14 | H7 | 154.5° | 30.0° |
| C12 | C11 | C14 | H8 | 35.0° | 149.9° |
| C5 | C8 | C13 | C12 | 178.8° | 179.7° |
| C8 | C5 | C6 | C7 | 178.2° | 180.0° |
| C5 | C8 | C9 | H3 | 0.6° | 0.0° |
| C5 | C8 | C13 | H6 | 1.2° | 0.0° |
| C8 | C5 | C4 | H20 | 1.9° | 0.0° |
| C8 | C5 | C6 | H21 | 1.8° | 0.0° |
| C13 | C8 | C5 | C6 | 10.7° | 0.3° |
| C8 | C13 | C12 | H6 | 180.0° | 179.7° |
| C13 | C8 | C9 | H3 | 179.1° | 179.7° |
| C8 | C13 | C12 | H5 | 179.4° | 179.7° |
| C5 | C6 | C7 | C2 | 0.2° | 0.0° |
| C5 | C6 | C7 | H21 | 180.0° | 180.0° |
| C5 | C6 | C7 | H2 | 179.8° | 180.0° |
| C6 | C5 | C4 | H20 | 179.3° | 179.7° |
| C1 | C2 | C7 | C6 | 179.3° | 180.0° |
| C1 | C2 | C3 | H1 | 0.5° | 0.0° |
| C1 | C2 | C7 | H2 | 0.7° | 0.0° |
| C7 | C2 | C1 | N26 | 53.7° | 55.4° |
| C2 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C2 | C3 | H1 | 179.2° | 179.8° |
| C2 | C7 | C6 | H21 | 179.8° | 180.0° |
| H1 | C3 | C4 | H20 | 0.0° | 0.0° |
| H2 | C7 | C6 | H21 | 0.2° | 0.0° |
| H3 | C9 | C10 | H4 | 0.4° | 0.0° |
| H5 | C12 | C13 | H6 | 0.7° | 0.0° |
| H7 | C14 | C15 | H9 | 172.8° | 65.0° |
| H8 | C14 | C15 | H9 | 53.4° | 175.0° |
| H9 | C15 | C16 | H10 | 175.4° | 55.0° |
| H9 | C15 | C16 | H11 | 57.0° | 175.0° |
| H9 | C15 | N17 | H22 | 178.5° | 145.0° |
| H10 | C16 | N27 | H23 | 59.2° | 63.9° |
| H10 | C16 | N27 | H24 | 179.2° | 60.0° |
| H11 | C16 | N27 | H23 | 59.2° | 176.0° |
| H11 | C16 | N27 | H24 | 60.8° | 60.1° |
| H12 | C19 | C20 | H13 | 3.4° | 144.4° |
| H12 | C19 | C20 | H14 | 117.6° | 21.4° |
| H12 | C19 | N23 | H18 | 139.1° | 117.1° |
| H13 | C20 | C21 | H15 | 21.7° | 159.2° |
| H14 | C20 | C21 | H15 | 99.2° | 36.0° |
| H15 | C21 | C22 | H16 | 86.2° | 160.1° |
| H15 | C21 | C22 | H17 | 34.5° | 37.8° |
| H16 | C22 | N23 | H18 | 34.1° | 27.6° |
| H17 | C22 | N23 | H18 | 154.8° | 94.8° |
