KX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| O1 | C13 | doub | 1.21Å | 1.31Å | |
| O2 | C13 | sing | 1.34Å | 1.22Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C9 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| N | C | sing | 1.35Å | 1.34Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C | C8 | sing | 1.47Å | 1.54Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C8 | C14 | sing | 1.47Å | 1.44Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| N2 | C14 | doub | 1.31Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.50Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | CL1 | sing | 1.74Å | 1.73Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.73Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å | |
| N | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 112.3° | 109.5° |
| C11 | C10 | N1 | 115.9° | 109.5° |
| C10 | C11 | H9 | 108.7° | 109.5° |
| C10 | C11 | H10 | 108.8° | 109.5° |
| C11 | C10 | H16 | 107.9° | 109.5° |
| C11 | C10 | H17 | 107.8° | 109.5° |
| C11 | C12 | C13 | 113.3° | 109.5° |
| C12 | C11 | H9 | 108.8° | 109.5° |
| C12 | C11 | H10 | 108.8° | 109.5° |
| C11 | C12 | H11 | 108.5° | 109.4° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C10 | N1 | C9 | 129.3° | 125.2° |
| C10 | N1 | N2 | 117.7° | 125.2° |
| N1 | C10 | H16 | 107.9° | 109.5° |
| N1 | C10 | H17 | 107.8° | 109.5° |
| O1 | C13 | O2 | 123.2° | 120.0° |
| O1 | C13 | C12 | 113.5° | 120.0° |
| O2 | C13 | C12 | 123.2° | 120.0° |
| C13 | O2 | H18 | 109.5° | 117.0° |
| C13 | C12 | H11 | 108.5° | 109.5° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| N1 | C9 | C8 | 106.8° | 107.9° |
| C9 | N1 | N2 | 113.0° | 109.7° |
| N1 | C9 | H8 | 126.6° | 126.1° |
| C9 | C8 | C | 126.8° | 126.8° |
| C9 | C8 | C14 | 104.5° | 106.4° |
| C8 | C9 | H8 | 126.6° | 126.0° |
| N1 | N2 | C14 | 105.3° | 109.1° |
| C | N | C1 | 122.0° | 120.0° |
| N | C | C8 | 116.6° | 120.0° |
| N | C | O | 122.5° | 120.0° |
| C | N | H19 | 119.0° | 120.0° |
| N | C1 | C2 | 115.3° | 109.5° |
| N | C1 | H1 | 108.0° | 109.5° |
| N | C1 | H2 | 108.0° | 109.4° |
| C1 | N | H19 | 119.0° | 120.0° |
| C8 | C | O | 120.8° | 120.0° |
| C | C8 | C14 | 128.7° | 126.8° |
| C8 | C14 | N2 | 110.4° | 107.0° |
| C8 | C14 | C15 | 129.8° | 126.5° |
| C1 | C2 | C7 | 120.5° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C2 | C1 | H1 | 108.0° | 109.5° |
| C2 | C1 | H2 | 108.0° | 109.5° |
| N2 | C14 | C15 | 119.7° | 126.5° |
| C14 | C15 | C16 | 122.0° | 120.1° |
| C14 | C15 | C20 | 119.4° | 120.1° |
| C7 | C2 | C3 | 118.5° | 120.0° |
| C2 | C7 | C6 | 120.8° | 120.0° |
| C2 | C7 | H7 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C16 | C15 | C20 | 118.6° | 119.8° |
| C15 | C16 | C17 | 120.4° | 119.9° |
| C15 | C16 | H15 | 119.8° | 120.0° |
| C15 | C20 | C19 | 120.5° | 119.9° |
| C15 | C20 | H14 | 119.8° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.1° |
| C16 | C17 | H13 | 120.1° | 119.9° |
| C17 | C16 | H15 | 119.8° | 120.1° |
| C7 | C6 | C5 | 120.2° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | H7 | 119.6° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C20 | C19 | C18 | 120.7° | 120.1° |
| C20 | C19 | CL1 | 119.9° | 119.9° |
| C19 | C20 | H14 | 119.7° | 120.1° |
| C17 | C18 | C19 | 119.9° | 120.2° |
| C17 | C18 | CL | 121.1° | 119.9° |
| C18 | C17 | H13 | 120.1° | 120.0° |
| C6 | C5 | C4 | 119.6° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C18 | C19 | CL1 | 119.2° | 120.0° |
| C19 | C18 | CL | 119.0° | 119.9° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | H5 | 120.2° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H9 | 120.4° | 120.0° |
| C10 | C11 | C12 | H10 | 120.4° | 120.0° |
| C11 | C10 | N1 | H16 | 121.0° | 120.0° |
| C11 | C10 | N1 | H17 | 120.9° | 120.0° |
| C10 | C11 | C12 | C13 | 134.0° | 180.0° |
| C11 | C10 | N1 | C9 | 31.5° | 125.0° |
| C11 | C10 | N1 | N2 | 150.5° | 55.0° |
| C10 | C11 | H9 | H10 | 118.7° | 120.0° |
| C10 | C11 | C12 | H11 | 13.5° | 60.0° |
| C10 | C11 | C12 | H12 | 105.4° | 60.0° |
| C11 | C10 | H16 | H17 | 117.1° | 120.0° |
| C12 | C11 | C10 | N1 | 82.0° | 180.0° |
| C11 | C12 | C13 | O1 | 122.3° | 0.1° |
| C11 | C12 | C13 | O2 | 56.9° | 180.0° |
| C11 | C12 | C13 | H11 | 120.6° | 120.0° |
| C11 | C12 | C13 | H12 | 120.6° | 120.0° |
| C12 | C11 | H9 | H10 | 118.7° | 120.0° |
| C11 | C12 | H11 | H12 | 118.2° | 120.0° |
| C12 | C11 | C10 | H16 | 157.1° | 60.0° |
| C12 | C11 | C10 | H17 | 39.0° | 60.0° |
| C10 | N1 | C9 | N2 | 178.1° | 180.0° |
| C10 | N1 | C9 | C8 | 178.5° | 180.0° |
| C10 | N1 | N2 | C14 | 178.9° | 180.0° |
| C10 | N1 | C9 | H8 | 1.6° | 0.0° |
| N1 | C10 | C11 | H9 | 157.6° | 60.0° |
| N1 | C10 | C11 | H10 | 38.5° | 60.0° |
| N1 | C10 | H16 | H17 | 117.1° | 120.0° |
| O1 | C13 | O2 | C12 | 179.1° | 179.9° |
| O1 | C13 | C12 | H11 | 117.1° | 120.0° |
| O1 | C13 | C12 | H12 | 1.7° | 119.9° |
| O1 | C13 | O2 | H18 | 0.0° | 0.0° |
| O2 | C13 | C12 | H11 | 63.7° | 60.1° |
| O2 | C13 | C12 | H12 | 177.4° | 60.0° |
| C13 | C12 | C11 | H9 | 105.6° | 60.0° |
| C13 | C12 | C11 | H10 | 13.6° | 60.0° |
| C13 | C12 | H11 | H12 | 118.2° | 120.0° |
| C12 | C13 | O2 | H18 | 179.1° | 180.0° |
| N1 | C9 | C8 | H8 | 180.0° | 180.0° |
| N1 | C9 | C8 | C | 179.6° | 179.7° |
| N1 | C9 | C8 | C14 | 0.1° | 0.0° |
| C9 | N1 | N2 | C14 | 0.6° | 0.0° |
| C9 | N1 | C10 | H16 | 89.4° | 5.0° |
| C9 | N1 | C10 | H17 | 152.4° | 115.0° |
| C8 | C9 | N1 | N2 | 0.4° | 0.0° |
| C9 | C8 | C | N | 49.9° | 5.7° |
| C9 | C8 | C | C14 | 179.5° | 179.7° |
| C9 | C8 | C | O | 133.4° | 174.4° |
| C9 | C8 | C14 | N2 | 0.3° | 0.0° |
| C9 | C8 | C14 | C15 | 178.3° | 180.0° |
| N1 | N2 | C14 | C8 | 0.5° | 0.0° |
| N1 | N2 | C14 | C15 | 178.3° | 180.0° |
| N2 | N1 | C9 | H8 | 179.6° | 180.0° |
| N2 | N1 | C10 | H16 | 88.6° | 175.0° |
| N2 | N1 | C10 | H17 | 29.6° | 65.1° |
| C | N | C1 | H19 | 180.0° | 180.0° |
| N | C | C8 | O | 176.8° | 180.0° |
| N | C | C8 | C14 | 130.7° | 174.6° |
| C | N | C1 | C2 | 72.2° | 180.0° |
| C | N | C1 | H1 | 167.0° | 60.0° |
| C | N | C1 | H2 | 48.7° | 60.0° |
| C1 | N | C | C8 | 154.4° | 180.0° |
| C1 | N | C | O | 22.3° | 0.0° |
| N | C1 | C2 | H1 | 120.9° | 120.0° |
| N | C1 | C2 | H2 | 120.9° | 120.0° |
| N | C1 | C2 | C7 | 128.0° | 90.0° |
| N | C1 | C2 | C3 | 61.1° | 89.8° |
| N | C1 | H1 | H2 | 117.4° | 120.0° |
| C | C8 | C14 | N2 | 179.3° | 179.7° |
| C | C8 | C14 | C15 | 2.1° | 0.3° |
| C | C8 | C9 | H8 | 0.4° | 0.3° |
| C8 | C | N | H19 | 25.6° | 0.0° |
| O | C | C8 | C14 | 46.1° | 5.3° |
| O | C | N | H19 | 157.7° | 179.9° |
| C8 | C14 | N2 | C15 | 178.8° | 180.0° |
| C8 | C14 | C15 | C16 | 147.9° | 136.2° |
| C8 | C14 | C15 | C20 | 35.1° | 44.0° |
| C14 | C8 | C9 | H8 | 179.9° | 180.0° |
| C1 | C2 | C7 | C3 | 171.1° | 179.8° |
| C1 | C2 | C7 | C6 | 167.9° | 179.7° |
| C1 | C2 | C3 | C4 | 167.5° | 180.0° |
| C2 | C1 | H1 | H2 | 117.3° | 120.0° |
| C1 | C2 | C3 | H3 | 12.5° | 0.0° |
| C1 | C2 | C7 | H7 | 12.1° | 0.0° |
| C2 | C1 | N | H19 | 107.8° | 0.0° |
| N2 | C14 | C15 | C16 | 33.6° | 43.8° |
| N2 | C14 | C15 | C20 | 143.4° | 135.9° |
| C14 | C15 | C16 | C20 | 177.0° | 179.7° |
| C14 | C15 | C16 | C17 | 175.8° | 179.7° |
| C14 | C15 | C20 | C19 | 175.5° | 179.7° |
| C14 | C15 | C20 | H14 | 4.5° | 0.3° |
| C14 | C15 | C16 | H15 | 4.1° | 0.3° |
| C2 | C7 | C6 | H7 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 3.6° | 0.2° |
| C2 | C7 | C6 | C5 | 0.9° | 0.5° |
| C7 | C2 | C1 | H1 | 111.1° | 150.0° |
| C7 | C2 | C1 | H2 | 7.2° | 30.0° |
| C7 | C2 | C3 | H3 | 176.4° | 179.7° |
| C2 | C7 | C6 | H6 | 179.1° | 179.7° |
| C3 | C2 | C7 | C6 | 3.2° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.6° | 0.0° |
| C3 | C2 | C1 | H1 | 59.8° | 30.3° |
| C3 | C2 | C1 | H2 | 178.1° | 150.3° |
| C2 | C3 | C4 | H4 | 178.4° | 180.0° |
| C3 | C2 | C7 | H7 | 176.8° | 179.8° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C16 | C15 | C20 | C19 | 1.6° | 0.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | H13 | 179.5° | 180.0° |
| C16 | C15 | C20 | H14 | 178.4° | 179.9° |
| C20 | C15 | C16 | C17 | 1.2° | 0.0° |
| C15 | C20 | C19 | H14 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 1.4° | 0.0° |
| C15 | C20 | C19 | CL1 | 174.3° | 180.0° |
| C20 | C15 | C16 | H15 | 178.9° | 180.0° |
| C16 | C17 | C18 | H13 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | CL | 179.7° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 1.1° | 0.2° |
| C7 | C6 | C5 | H5 | 178.9° | 179.8° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C20 | C19 | C18 | C17 | 0.7° | 0.1° |
| C20 | C19 | C18 | CL1 | 175.7° | 179.9° |
| C20 | C19 | C18 | CL | 179.3° | 180.0° |
| C17 | C18 | C19 | CL | 180.0° | 180.0° |
| C17 | C18 | C19 | CL1 | 175.0° | 180.0° |
| C18 | C17 | C16 | H15 | 179.5° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 179.2° | 180.0° |
| C5 | C6 | C7 | H7 | 179.1° | 179.8° |
| C19 | C18 | C17 | H13 | 179.7° | 179.9° |
| C18 | C19 | C20 | H14 | 178.6° | 179.9° |
| CL1 | C19 | C18 | CL | 5.0° | 0.0° |
| CL1 | C19 | C20 | H14 | 5.7° | 0.1° |
| C5 | C4 | C3 | H3 | 178.4° | 180.0° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| CL | C18 | C17 | H13 | 0.3° | 0.0° |
| H1 | C1 | N | H19 | 13.0° | 120.0° |
| H2 | C1 | N | H19 | 131.3° | 120.0° |
| H3 | C3 | C4 | H4 | 1.6° | 0.1° |
| H4 | C4 | C5 | H5 | 0.8° | 0.0° |
| H5 | C5 | C6 | H6 | 1.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.9° | 0.0° |
| H9 | C11 | C12 | H11 | 133.9° | 60.0° |
| H9 | C11 | C12 | H12 | 15.0° | 180.0° |
| H9 | C11 | C10 | H16 | 36.6° | 180.0° |
| H9 | C11 | C10 | H17 | 81.5° | 60.0° |
| H10 | C11 | C12 | H11 | 107.0° | 180.0° |
| H10 | C11 | C12 | H12 | 134.2° | 60.0° |
| H10 | C11 | C10 | H16 | 82.5° | 60.0° |
| H10 | C11 | C10 | H17 | 159.4° | 180.0° |
| H13 | C17 | C16 | H15 | 0.5° | 0.0° |
