K9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O25 | sing | 1.43Å | 1.43Å | |
| C18 | C16 | sing | 1.55Å | 1.50Å | |
| C18 | C15 | sing | 1.55Å | 1.50Å | |
| C16 | N22 | sing | 1.49Å | 1.45Å | |
| C15 | C17 | sing | 1.54Å | 1.51Å | |
| N22 | C17 | sing | 1.48Å | 1.45Å | |
| C17 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | O24 | doub | 1.21Å | 1.23Å | |
| C14 | N23 | sing | 1.35Å | 1.38Å | |
| N23 | C20 | sing | 1.46Å | 1.45Å | |
| C1 | N21 | sing | 1.47Å | 1.44Å | |
| C1 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C13 | sing | 1.51Å | 1.49Å | |
| C10 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.44Å | |
| C11 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 1.01Å | 1.00Å | |
| N21 | H22 | sing | 1.01Å | 1.00Å | |
| N22 | H24 | sing | 1.01Å | 1.00Å | |
| N23 | H26 | sing | 0.97Å | 1.00Å | |
| O25 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C18 | C16 | 106.8° | 110.7° |
| O25 | C18 | C15 | 111.0° | 110.7° |
| O25 | C18 | H17 | 112.3° | 110.7° |
| C18 | O25 | H27 | 109.5° | 114.1° |
| C16 | C18 | C15 | 104.1° | 102.9° |
| C18 | C16 | N22 | 109.1° | 103.2° |
| C18 | C16 | H14 | 109.6° | 110.7° |
| C18 | C16 | H15 | 109.6° | 110.8° |
| C16 | C18 | H17 | 111.2° | 110.7° |
| C18 | C15 | C17 | 104.0° | 105.1° |
| C18 | C15 | H12 | 110.8° | 110.3° |
| C18 | C15 | H13 | 110.8° | 110.4° |
| C15 | C18 | H17 | 111.1° | 110.8° |
| C16 | N22 | C17 | 106.3° | 105.9° |
| N22 | C16 | H14 | 109.6° | 110.7° |
| N22 | C16 | H15 | 109.5° | 110.7° |
| C16 | N22 | H24 | 110.2° | 111.0° |
| C15 | C17 | N22 | 105.3° | 107.1° |
| C15 | C17 | C14 | 113.0° | 109.9° |
| C17 | C15 | H12 | 110.8° | 110.3° |
| C17 | C15 | H13 | 110.8° | 110.3° |
| C15 | C17 | H16 | 109.1° | 109.9° |
| N22 | C17 | C14 | 110.2° | 109.9° |
| N22 | C17 | H16 | 109.9° | 110.1° |
| C17 | N22 | H24 | 110.2° | 111.0° |
| C17 | C14 | O24 | 123.9° | 120.0° |
| C17 | C14 | N23 | 109.4° | 120.0° |
| C14 | C17 | H16 | 109.2° | 109.9° |
| O24 | C14 | N23 | 126.6° | 120.0° |
| C14 | N23 | C20 | 124.6° | 120.0° |
| C14 | N23 | H26 | 117.7° | 120.0° |
| N23 | C20 | C1 | 107.4° | 109.5° |
| N23 | C20 | C19 | 112.1° | 109.4° |
| N23 | C20 | H20 | 109.9° | 109.5° |
| C20 | N23 | H26 | 117.7° | 120.0° |
| N21 | C1 | C20 | 109.0° | 109.5° |
| N21 | C1 | H1 | 109.6° | 109.5° |
| N21 | C1 | H2 | 109.6° | 109.4° |
| C1 | N21 | H21 | 109.5° | 110.9° |
| C1 | N21 | H22 | 109.4° | 111.1° |
| C1 | C20 | C19 | 109.5° | 109.4° |
| C20 | C1 | H1 | 109.6° | 109.5° |
| C20 | C1 | H2 | 109.6° | 109.5° |
| C1 | C20 | H20 | 109.0° | 109.5° |
| C20 | C19 | C13 | 113.4° | 109.5° |
| C20 | C19 | H18 | 108.5° | 109.5° |
| C20 | C19 | H19 | 108.5° | 109.5° |
| C19 | C20 | H20 | 108.9° | 109.4° |
| C19 | C13 | C10 | 118.4° | 119.8° |
| C19 | C13 | C9 | 121.8° | 119.9° |
| C13 | C19 | H18 | 108.5° | 109.4° |
| C13 | C19 | H19 | 108.5° | 109.5° |
| C13 | C10 | C8 | 120.4° | 120.1° |
| C10 | C13 | C9 | 119.8° | 120.3° |
| C13 | C10 | H11 | 119.8° | 120.0° |
| C10 | C8 | C12 | 120.7° | 119.9° |
| C10 | C8 | H9 | 119.6° | 120.0° |
| C8 | C10 | H11 | 119.8° | 120.0° |
| C13 | C9 | C7 | 119.3° | 120.1° |
| C13 | C9 | H10 | 120.4° | 120.0° |
| C8 | C12 | C7 | 118.4° | 119.8° |
| C8 | C12 | C11 | 118.8° | 120.1° |
| C12 | C8 | H9 | 119.7° | 120.1° |
| C9 | C7 | C12 | 121.5° | 119.9° |
| C9 | C7 | H8 | 119.3° | 120.1° |
| C7 | C9 | H10 | 120.3° | 119.9° |
| C7 | C12 | C11 | 122.7° | 120.1° |
| C12 | C7 | H8 | 119.3° | 120.0° |
| C12 | C11 | C6 | 120.4° | 120.1° |
| C12 | C11 | C5 | 121.5° | 120.2° |
| C6 | C11 | C5 | 118.1° | 119.8° |
| C11 | C6 | C4 | 121.3° | 119.8° |
| C11 | C6 | H7 | 119.4° | 120.1° |
| C11 | C5 | C3 | 121.3° | 119.9° |
| C11 | C5 | H6 | 119.3° | 120.1° |
| C6 | C4 | C2 | 119.6° | 120.1° |
| C6 | C4 | H5 | 120.2° | 119.9° |
| C4 | C6 | H7 | 119.4° | 120.1° |
| C5 | C3 | C2 | 119.5° | 120.1° |
| C5 | C3 | H4 | 120.2° | 119.9° |
| C3 | C5 | H6 | 119.4° | 120.0° |
| C4 | C2 | C3 | 120.2° | 120.3° |
| C4 | C2 | H3 | 119.9° | 119.9° |
| C2 | C4 | H5 | 120.2° | 119.9° |
| C3 | C2 | H3 | 119.9° | 119.9° |
| C2 | C3 | H4 | 120.2° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 110.4° |
| H14 | C16 | H15 | 109.5° | 110.6° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H21 | N21 | H22 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C18 | C16 | C15 | 117.4° | 118.4° |
| O25 | C18 | C16 | H17 | 122.8° | 123.1° |
| O25 | C18 | C15 | H17 | 125.7° | 123.2° |
| O25 | C18 | C16 | N22 | 109.7° | 155.8° |
| O25 | C18 | C15 | C17 | 89.5° | 140.3° |
| O25 | C18 | C15 | H12 | 29.6° | 100.8° |
| O25 | C18 | C15 | H13 | 151.3° | 21.4° |
| O25 | C18 | C16 | H14 | 130.3° | 85.8° |
| O25 | C18 | C16 | H15 | 10.2° | 37.3° |
| C16 | C18 | C15 | H17 | 119.8° | 118.4° |
| C18 | C16 | N22 | H14 | 119.9° | 118.4° |
| C18 | C16 | N22 | H15 | 119.9° | 118.6° |
| C16 | C18 | C15 | C17 | 25.0° | 21.9° |
| C18 | C16 | N22 | C17 | 13.6° | 39.2° |
| C16 | C18 | C15 | H12 | 144.1° | 140.8° |
| C16 | C18 | C15 | H13 | 94.2° | 96.9° |
| C18 | C16 | H14 | H15 | 120.2° | 123.2° |
| C18 | C16 | N22 | H24 | 105.9° | 81.4° |
| C16 | C18 | O25 | H27 | 180.0° | 61.5° |
| C15 | C18 | C16 | N22 | 7.7° | 37.4° |
| C18 | C15 | C17 | H12 | 119.1° | 118.9° |
| C18 | C15 | C17 | H13 | 119.1° | 119.0° |
| C18 | C15 | C17 | N22 | 34.0° | 1.2° |
| C18 | C15 | C17 | C14 | 154.4° | 120.6° |
| C18 | C15 | H12 | H13 | 122.5° | 122.3° |
| C15 | C18 | C16 | H14 | 112.3° | 155.9° |
| C15 | C18 | C16 | H15 | 127.6° | 81.1° |
| C18 | C15 | C17 | H16 | 83.9° | 118.3° |
| C15 | C18 | O25 | H27 | 67.2° | 175.0° |
| C16 | N22 | C17 | C15 | 29.4° | 25.4° |
| C16 | N22 | C17 | H24 | 119.5° | 120.6° |
| C16 | N22 | C17 | C14 | 151.6° | 144.7° |
| N22 | C16 | H14 | H15 | 120.2° | 123.1° |
| C16 | N22 | C17 | H16 | 88.0° | 94.1° |
| N22 | C16 | C18 | H17 | 127.4° | 81.1° |
| C15 | C17 | N22 | C14 | 122.2° | 119.4° |
| C15 | C17 | N22 | H16 | 117.4° | 119.4° |
| C15 | C17 | C14 | H16 | 121.6° | 121.1° |
| C15 | C17 | C14 | O24 | 123.2° | 100.0° |
| C15 | C17 | C14 | N23 | 58.7° | 80.0° |
| C17 | C15 | H12 | H13 | 122.5° | 122.1° |
| C17 | C15 | C18 | H17 | 144.7° | 96.5° |
| C15 | C17 | N22 | H24 | 90.1° | 95.2° |
| N22 | C17 | C14 | H16 | 120.9° | 121.3° |
| N22 | C17 | C14 | O24 | 5.7° | 17.6° |
| N22 | C17 | C14 | N23 | 176.2° | 162.4° |
| N22 | C17 | C15 | H12 | 153.1° | 117.7° |
| N22 | C17 | C15 | H13 | 85.1° | 120.2° |
| C17 | N22 | C16 | H14 | 133.5° | 157.6° |
| C17 | N22 | C16 | H15 | 106.4° | 79.3° |
| C17 | C14 | O24 | N23 | 177.7° | 180.0° |
| C17 | C14 | N23 | C20 | 164.3° | 180.0° |
| C14 | C17 | C15 | H12 | 86.5° | 1.7° |
| C14 | C17 | C15 | H13 | 35.2° | 120.4° |
| C14 | C17 | N22 | H24 | 32.1° | 24.1° |
| C17 | C14 | N23 | H26 | 15.7° | 0.0° |
| O24 | C14 | N23 | C20 | 13.7° | 0.0° |
| O24 | C14 | C17 | H16 | 115.2° | 138.9° |
| O24 | C14 | N23 | H26 | 166.3° | 180.0° |
| C14 | N23 | C20 | H26 | 180.0° | 179.9° |
| C14 | N23 | C20 | C1 | 133.2° | 85.0° |
| C14 | N23 | C20 | C19 | 106.5° | 155.0° |
| N23 | C14 | C17 | H16 | 62.9° | 41.1° |
| C14 | N23 | C20 | H20 | 14.8° | 35.1° |
| N23 | C20 | C1 | N21 | 162.5° | 55.0° |
| N23 | C20 | C1 | C19 | 122.0° | 120.0° |
| N23 | C20 | C1 | H20 | 119.0° | 120.1° |
| N23 | C20 | C19 | H20 | 121.9° | 120.0° |
| N23 | C20 | C19 | C13 | 50.0° | 65.0° |
| N23 | C20 | C1 | H1 | 42.5° | 175.1° |
| N23 | C20 | C1 | H2 | 77.6° | 64.9° |
| N23 | C20 | C19 | H18 | 70.6° | 175.0° |
| N23 | C20 | C19 | H19 | 170.5° | 55.0° |
| N21 | C1 | C20 | H1 | 119.9° | 120.1° |
| N21 | C1 | C20 | H2 | 119.9° | 119.9° |
| N21 | C1 | C20 | C19 | 75.6° | 175.0° |
| N21 | C1 | H1 | H2 | 120.2° | 119.9° |
| N21 | C1 | C20 | H20 | 43.4° | 65.1° |
| C1 | N21 | H21 | H22 | 120.0° | 124.0° |
| C1 | C20 | C19 | H20 | 119.1° | 120.0° |
| C1 | C20 | C19 | C13 | 169.0° | 175.0° |
| C20 | C1 | H1 | H2 | 120.2° | 120.0° |
| C1 | C20 | C19 | H18 | 48.4° | 55.0° |
| C1 | C20 | C19 | H19 | 70.4° | 65.0° |
| C20 | C1 | N21 | H21 | 180.0° | 56.0° |
| C20 | C1 | N21 | H22 | 60.0° | 180.0° |
| C1 | C20 | N23 | H26 | 46.8° | 94.9° |
| C20 | C19 | C13 | H18 | 120.6° | 120.0° |
| C20 | C19 | C13 | H19 | 120.6° | 120.0° |
| C20 | C19 | C13 | C10 | 93.9° | 90.0° |
| C20 | C19 | C13 | C9 | 87.3° | 89.7° |
| C19 | C20 | C1 | H1 | 164.5° | 65.0° |
| C19 | C20 | C1 | H2 | 44.3° | 55.0° |
| C20 | C19 | H18 | H19 | 118.2° | 120.1° |
| C19 | C20 | N23 | H26 | 73.5° | 25.0° |
| C19 | C13 | C10 | C9 | 178.9° | 179.7° |
| C19 | C13 | C10 | C8 | 179.7° | 180.0° |
| C19 | C13 | C9 | C7 | 179.3° | 179.7° |
| C19 | C13 | C9 | H10 | 0.7° | 0.4° |
| C19 | C13 | C10 | H11 | 0.3° | 0.3° |
| C13 | C19 | H18 | H19 | 118.2° | 120.0° |
| C13 | C19 | C20 | H20 | 71.9° | 55.0° |
| C13 | C10 | C8 | H11 | 180.0° | 179.7° |
| C13 | C10 | C8 | C12 | 0.5° | 0.3° |
| C10 | C13 | C9 | C7 | 0.4° | 0.1° |
| C13 | C10 | C8 | H9 | 179.5° | 179.7° |
| C10 | C13 | C9 | H10 | 179.6° | 180.0° |
| C10 | C13 | C19 | H18 | 26.7° | 150.1° |
| C10 | C13 | C19 | H19 | 145.6° | 30.1° |
| C8 | C10 | C13 | C9 | 0.7° | 0.3° |
| C10 | C8 | C12 | H9 | 180.0° | 180.0° |
| C10 | C8 | C12 | C7 | 0.1° | 0.1° |
| C10 | C8 | C12 | C11 | 179.3° | 180.0° |
| C13 | C9 | C7 | H10 | 180.0° | 179.9° |
| C13 | C9 | C7 | C12 | 0.2° | 0.2° |
| C13 | C9 | C7 | H8 | 179.9° | 180.0° |
| C9 | C13 | C10 | H11 | 179.2° | 180.0° |
| C9 | C13 | C19 | H18 | 152.1° | 30.3° |
| C9 | C13 | C19 | H19 | 33.3° | 150.3° |
| C8 | C12 | C7 | C9 | 0.4° | 0.2° |
| C8 | C12 | C7 | C11 | 179.2° | 179.9° |
| C8 | C12 | C11 | C6 | 15.3° | 180.0° |
| C8 | C12 | C11 | C5 | 165.3° | 0.3° |
| C8 | C12 | C7 | H8 | 179.6° | 180.0° |
| C12 | C8 | C10 | H11 | 179.5° | 180.0° |
| C9 | C7 | C12 | H8 | 180.0° | 179.8° |
| C9 | C7 | C12 | C11 | 179.6° | 179.7° |
| C7 | C12 | C11 | C6 | 163.9° | 0.1° |
| C7 | C12 | C11 | C5 | 15.5° | 179.8° |
| C7 | C12 | C8 | H9 | 179.9° | 180.0° |
| C12 | C7 | C9 | H10 | 179.9° | 179.7° |
| C12 | C11 | C6 | C5 | 179.4° | 179.7° |
| C12 | C11 | C6 | C4 | 178.7° | 180.0° |
| C12 | C11 | C5 | C3 | 178.8° | 180.0° |
| C12 | C11 | C5 | H6 | 1.2° | 0.0° |
| C12 | C11 | C6 | H7 | 1.3° | 0.0° |
| C11 | C12 | C7 | H8 | 0.4° | 0.1° |
| C11 | C12 | C8 | H9 | 0.7° | 0.0° |
| C11 | C6 | C4 | H7 | 180.0° | 179.9° |
| C6 | C11 | C5 | C3 | 0.7° | 0.3° |
| C11 | C6 | C4 | C2 | 0.2° | 0.0° |
| C11 | C6 | C4 | H5 | 179.8° | 180.0° |
| C6 | C11 | C5 | H6 | 179.3° | 179.8° |
| C5 | C11 | C6 | C4 | 0.8° | 0.3° |
| C11 | C5 | C3 | H6 | 180.0° | 180.0° |
| C11 | C5 | C3 | C2 | 0.1° | 0.0° |
| C11 | C5 | C3 | H4 | 179.9° | 180.0° |
| C5 | C11 | C6 | H7 | 179.2° | 179.8° |
| C6 | C4 | C2 | H5 | 180.0° | 180.0° |
| C6 | C4 | C2 | C3 | 0.6° | 0.2° |
| C6 | C4 | C2 | H3 | 179.4° | 180.0° |
| C5 | C3 | C2 | C4 | 0.7° | 0.3° |
| C5 | C3 | C2 | H4 | 180.0° | 180.0° |
| C5 | C3 | C2 | H3 | 179.3° | 180.0° |
| C4 | C2 | C3 | H3 | 180.0° | 179.7° |
| C4 | C2 | C3 | H4 | 179.3° | 179.7° |
| C2 | C4 | C6 | H7 | 179.8° | 180.0° |
| C3 | C2 | C4 | H5 | 179.4° | 179.7° |
| C2 | C3 | C5 | H6 | 180.0° | 180.0° |
| H1 | C1 | C20 | H20 | 76.5° | 55.0° |
| H1 | C1 | N21 | H21 | 60.1° | 64.1° |
| H1 | C1 | N21 | H22 | 60.0° | 59.9° |
| H2 | C1 | C20 | H20 | 163.3° | 175.0° |
| H2 | C1 | N21 | H21 | 60.0° | 176.0° |
| H2 | C1 | N21 | H22 | 179.9° | 59.9° |
| H3 | C2 | C3 | H4 | 0.7° | 0.0° |
| H3 | C2 | C4 | H5 | 0.5° | 0.0° |
| H4 | C3 | C5 | H6 | 0.1° | 0.0° |
| H5 | C4 | C6 | H7 | 0.2° | 0.0° |
| H8 | C7 | C9 | H10 | 0.1° | 0.1° |
| H9 | C8 | C10 | H11 | 0.5° | 0.0° |
| H12 | C15 | C17 | H16 | 35.2° | 122.8° |
| H12 | C15 | C18 | H17 | 96.1° | 22.4° |
| H13 | C15 | C17 | H16 | 156.9° | 0.6° |
| H13 | C15 | C18 | H17 | 25.6° | 144.7° |
| H14 | C16 | C18 | H17 | 7.5° | 37.3° |
| H14 | C16 | N22 | H24 | 14.0° | 37.0° |
| H15 | C16 | C18 | H17 | 112.6° | 160.4° |
| H15 | C16 | N22 | H24 | 134.1° | 160.1° |
| H16 | C17 | N22 | H24 | 152.5° | 145.3° |
| H17 | C18 | O25 | H27 | 57.9° | 61.7° |
| H18 | C19 | C20 | H20 | 167.5° | 64.9° |
| H19 | C19 | C20 | H20 | 48.7° | 175.0° |
| H20 | C20 | N23 | H26 | 165.2° | 145.0° |
