K9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | O27 | sing | 1.43Å | 1.43Å | |
| C19 | C17 | sing | 1.55Å | 1.50Å | |
| C19 | C16 | sing | 1.55Å | 1.51Å | |
| C17 | N24 | sing | 1.48Å | 1.46Å | |
| C16 | C18 | sing | 1.54Å | 1.52Å | |
| C18 | N24 | sing | 1.47Å | 1.46Å | |
| C18 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | N25 | sing | 1.35Å | 1.38Å | |
| C15 | O26 | doub | 1.21Å | 1.22Å | |
| N25 | C21 | sing | 1.46Å | 1.45Å | |
| C10 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C21 | sing | 1.53Å | 1.52Å | |
| C2 | N23 | sing | 1.47Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.46Å | |
| C13 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C1 | sing | 1.43Å | 1.42Å | |
| C11 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N22 | trip | 1.14Å | 1.16Å | |
| C5 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| N23 | H14 | sing | 1.01Å | 1.00Å | |
| N23 | H15 | sing | 1.01Å | 1.00Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 1.01Å | 1.00Å | |
| O27 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C19 | C17 | 107.5° | 111.0° |
| O27 | C19 | C16 | 108.6° | 111.0° |
| O27 | C19 | H10 | 112.8° | 110.9° |
| C19 | O27 | H26 | 109.5° | 114.0° |
| C17 | C19 | C16 | 104.2° | 101.6° |
| C19 | C17 | N24 | 107.3° | 104.8° |
| C17 | C19 | H10 | 111.6° | 111.0° |
| C19 | C17 | H21 | 110.0° | 110.4° |
| C19 | C17 | H22 | 110.0° | 110.3° |
| C19 | C16 | C18 | 107.0° | 103.1° |
| C19 | C16 | H8 | 110.1° | 110.7° |
| C19 | C16 | H9 | 110.1° | 110.9° |
| C16 | C19 | H10 | 111.6° | 111.0° |
| C17 | N24 | C18 | 105.3° | 108.6° |
| N24 | C17 | H21 | 110.0° | 110.4° |
| N24 | C17 | H22 | 110.0° | 110.4° |
| C17 | N24 | H24 | 110.5° | 111.0° |
| C16 | C18 | N24 | 106.1° | 107.2° |
| C16 | C18 | C15 | 109.4° | 109.9° |
| C18 | C16 | H8 | 110.1° | 110.7° |
| C18 | C16 | H9 | 110.1° | 110.7° |
| C16 | C18 | H23 | 110.3° | 109.9° |
| N24 | C18 | C15 | 109.4° | 109.9° |
| N24 | C18 | H23 | 111.0° | 109.9° |
| C18 | N24 | H24 | 110.5° | 111.0° |
| C18 | C15 | N25 | 111.2° | 120.0° |
| C18 | C15 | O26 | 123.3° | 120.0° |
| C15 | C18 | H23 | 110.5° | 110.0° |
| N25 | C15 | O26 | 125.5° | 120.0° |
| C15 | N25 | C21 | 123.0° | 120.0° |
| C15 | N25 | H17 | 118.5° | 120.0° |
| N25 | C21 | C2 | 107.2° | 109.5° |
| N25 | C21 | C20 | 108.6° | 109.5° |
| N25 | C21 | H13 | 110.1° | 109.5° |
| C21 | N25 | H17 | 118.5° | 120.0° |
| C8 | C10 | C14 | 120.4° | 120.1° |
| C10 | C8 | C13 | 120.5° | 119.9° |
| C10 | C8 | H5 | 119.7° | 120.1° |
| C8 | C10 | H7 | 119.8° | 119.9° |
| C10 | C14 | C20 | 120.8° | 119.8° |
| C10 | C14 | C9 | 119.8° | 120.3° |
| C14 | C10 | H7 | 119.8° | 119.9° |
| C8 | C13 | C12 | 122.0° | 120.1° |
| C8 | C13 | C7 | 118.2° | 119.7° |
| C13 | C8 | H5 | 119.7° | 120.0° |
| C21 | C2 | N23 | 114.6° | 109.5° |
| C2 | C21 | C20 | 112.8° | 109.5° |
| C21 | C2 | H1 | 108.2° | 109.5° |
| C21 | C2 | H2 | 108.2° | 109.4° |
| C2 | C21 | H13 | 109.1° | 109.4° |
| N23 | C2 | H1 | 108.2° | 109.5° |
| N23 | C2 | H2 | 108.2° | 109.5° |
| C2 | N23 | H14 | 109.5° | 111.0° |
| C2 | N23 | H15 | 109.4° | 110.9° |
| C21 | C20 | C14 | 110.1° | 109.5° |
| C21 | C20 | H11 | 109.3° | 109.5° |
| C21 | C20 | H12 | 109.3° | 109.5° |
| C20 | C21 | H13 | 109.1° | 109.5° |
| C4 | C6 | C12 | 121.1° | 120.0° |
| C6 | C4 | C11 | 119.3° | 120.0° |
| C6 | C4 | H18 | 120.3° | 120.1° |
| C4 | C6 | H20 | 119.4° | 120.0° |
| C6 | C12 | C13 | 122.6° | 120.0° |
| C6 | C12 | C5 | 118.2° | 120.0° |
| C12 | C6 | H20 | 119.5° | 120.0° |
| C4 | C11 | C1 | 121.6° | 120.0° |
| C4 | C11 | C3 | 120.4° | 119.9° |
| C11 | C4 | H18 | 120.3° | 120.0° |
| C20 | C14 | C9 | 119.4° | 119.9° |
| C14 | C20 | H11 | 109.3° | 109.5° |
| C14 | C20 | H12 | 109.3° | 109.5° |
| C14 | C9 | C7 | 119.2° | 120.1° |
| C14 | C9 | H6 | 120.4° | 120.0° |
| C12 | C13 | C7 | 119.8° | 120.1° |
| C13 | C12 | C5 | 119.1° | 120.0° |
| C13 | C7 | C9 | 121.9° | 119.9° |
| C13 | C7 | H4 | 119.1° | 120.0° |
| C12 | C5 | C3 | 121.4° | 120.1° |
| C12 | C5 | H19 | 119.3° | 119.9° |
| C1 | C11 | C3 | 117.9° | 120.1° |
| C11 | C1 | N22 | 177.4° | 180.0° |
| C11 | C3 | C5 | 119.5° | 120.0° |
| C11 | C3 | H3 | 120.2° | 120.0° |
| C9 | C7 | H4 | 119.1° | 120.1° |
| C7 | C9 | H6 | 120.4° | 119.9° |
| C5 | C3 | H3 | 120.3° | 120.0° |
| C3 | C5 | H19 | 119.3° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 110.6° |
| H11 | C20 | H12 | 109.4° | 109.5° |
| H14 | N23 | H15 | 109.4° | 111.0° |
| H21 | C17 | H22 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C19 | C17 | C16 | 115.1° | 118.1° |
| O27 | C19 | C17 | H10 | 124.2° | 123.9° |
| O27 | C19 | C16 | H10 | 125.0° | 123.8° |
| O27 | C19 | C17 | N24 | 91.8° | 155.1° |
| O27 | C19 | C16 | C18 | 108.8° | 153.8° |
| O27 | C19 | C16 | H8 | 131.6° | 87.8° |
| O27 | C19 | C16 | H9 | 10.8° | 35.3° |
| O27 | C19 | C17 | H21 | 27.9° | 36.3° |
| O27 | C19 | C17 | H22 | 148.5° | 86.1° |
| C17 | C19 | C16 | H10 | 120.6° | 118.1° |
| C19 | C17 | N24 | H21 | 119.7° | 118.9° |
| C19 | C17 | N24 | H22 | 119.7° | 118.8° |
| C17 | C19 | C16 | C18 | 5.5° | 35.7° |
| C19 | C17 | N24 | C18 | 32.7° | 24.2° |
| C17 | C19 | C16 | H8 | 114.1° | 154.1° |
| C17 | C19 | C16 | H9 | 125.1° | 82.8° |
| C19 | C17 | H21 | H22 | 121.0° | 122.3° |
| C19 | C17 | N24 | H24 | 86.7° | 146.4° |
| C17 | C19 | O27 | H26 | 180.0° | 61.5° |
| C16 | C19 | C17 | N24 | 23.4° | 37.1° |
| C19 | C16 | C18 | H8 | 119.6° | 118.4° |
| C19 | C16 | C18 | H9 | 119.6° | 118.6° |
| C19 | C16 | C18 | N24 | 14.0° | 22.3° |
| C19 | C16 | C18 | C15 | 131.9° | 141.7° |
| C19 | C16 | H8 | H9 | 121.2° | 123.3° |
| C16 | C19 | C17 | H21 | 143.0° | 81.8° |
| C16 | C19 | C17 | H22 | 96.3° | 155.9° |
| C19 | C16 | C18 | H23 | 106.4° | 97.1° |
| C16 | C19 | O27 | H26 | 67.8° | 173.7° |
| C17 | N24 | C18 | C16 | 28.5° | 1.0° |
| C17 | N24 | C18 | H24 | 119.3° | 122.2° |
| C17 | N24 | C18 | C15 | 146.4° | 118.4° |
| N24 | C17 | C19 | H10 | 144.0° | 81.0° |
| N24 | C17 | H21 | H22 | 121.0° | 122.3° |
| C17 | N24 | C18 | H23 | 91.4° | 120.4° |
| C16 | C18 | N24 | C15 | 117.9° | 119.4° |
| C16 | C18 | N24 | H23 | 119.9° | 119.4° |
| C16 | C18 | C15 | H23 | 121.6° | 121.2° |
| C16 | C18 | C15 | N25 | 72.4° | 80.1° |
| C16 | C18 | C15 | O26 | 107.4° | 100.0° |
| C18 | C16 | H8 | H9 | 121.2° | 123.1° |
| C18 | C16 | C19 | H10 | 126.2° | 82.4° |
| C16 | C18 | N24 | H24 | 90.9° | 123.3° |
| N24 | C18 | C15 | H23 | 122.5° | 121.1° |
| N24 | C18 | C15 | N25 | 171.7° | 162.2° |
| N24 | C18 | C15 | O26 | 8.5° | 17.7° |
| N24 | C18 | C16 | H8 | 133.6° | 140.7° |
| N24 | C18 | C16 | H9 | 105.7° | 96.3° |
| C18 | N24 | C17 | H21 | 152.3° | 94.8° |
| C18 | N24 | C17 | H22 | 87.0° | 142.9° |
| C18 | C15 | N25 | O26 | 179.8° | 179.9° |
| C18 | C15 | N25 | C21 | 169.9° | 180.0° |
| C15 | C18 | C16 | H8 | 108.5° | 99.9° |
| C15 | C18 | C16 | H9 | 12.3° | 23.1° |
| C18 | C15 | N25 | H17 | 10.1° | 0.1° |
| C15 | C18 | N24 | H24 | 27.0° | 3.9° |
| C15 | N25 | C21 | H17 | 180.0° | 179.9° |
| C15 | N25 | C21 | C2 | 115.9° | 84.9° |
| C15 | N25 | C21 | C20 | 122.0° | 155.0° |
| C15 | N25 | C21 | H13 | 2.7° | 35.0° |
| N25 | C15 | C18 | H23 | 49.2° | 41.1° |
| O26 | C15 | N25 | C21 | 10.3° | 0.1° |
| O26 | C15 | N25 | H17 | 169.6° | 180.0° |
| O26 | C15 | C18 | H23 | 131.0° | 138.8° |
| N25 | C21 | C2 | C20 | 119.4° | 120.0° |
| N25 | C21 | C2 | H13 | 119.2° | 120.0° |
| N25 | C21 | C2 | N23 | 170.3° | 55.0° |
| N25 | C21 | C20 | H13 | 120.0° | 120.0° |
| N25 | C21 | C20 | C14 | 57.4° | 65.0° |
| N25 | C21 | C2 | H1 | 49.6° | 175.0° |
| N25 | C21 | C2 | H2 | 68.9° | 65.0° |
| N25 | C21 | C20 | H11 | 62.7° | 175.0° |
| N25 | C21 | C20 | H12 | 177.5° | 55.0° |
| C8 | C10 | C14 | H7 | 180.0° | 179.7° |
| C10 | C8 | C13 | H5 | 180.0° | 180.0° |
| C8 | C10 | C14 | C20 | 179.6° | 180.0° |
| C8 | C10 | C14 | C9 | 0.5° | 0.3° |
| C10 | C8 | C13 | C12 | 178.5° | 180.0° |
| C10 | C8 | C13 | C7 | 0.8° | 0.0° |
| C14 | C10 | C8 | C13 | 0.1° | 0.3° |
| C10 | C14 | C20 | C21 | 93.6° | 90.0° |
| C10 | C14 | C20 | C9 | 179.1° | 179.7° |
| C10 | C14 | C9 | C7 | 0.4° | 0.0° |
| C14 | C10 | C8 | H5 | 179.9° | 179.7° |
| C10 | C14 | C9 | H6 | 179.5° | 180.0° |
| C10 | C14 | C20 | H11 | 26.5° | 150.0° |
| C10 | C14 | C20 | H12 | 146.3° | 30.0° |
| C8 | C13 | C12 | C6 | 4.8° | 0.0° |
| C8 | C13 | C12 | C7 | 177.8° | 180.0° |
| C8 | C13 | C12 | C5 | 177.5° | 180.0° |
| C8 | C13 | C7 | C9 | 0.9° | 0.3° |
| C8 | C13 | C7 | H4 | 179.2° | 180.0° |
| C13 | C8 | C10 | H7 | 179.9° | 180.0° |
| C21 | C2 | N23 | H1 | 120.7° | 120.0° |
| C21 | C2 | N23 | H2 | 120.8° | 120.0° |
| C2 | C21 | C20 | H13 | 121.4° | 120.0° |
| C2 | C21 | C20 | C14 | 176.0° | 175.0° |
| C21 | C2 | H1 | H2 | 117.7° | 120.0° |
| C2 | C21 | C20 | H11 | 55.9° | 55.0° |
| C2 | C21 | C20 | H12 | 63.9° | 65.0° |
| C21 | C2 | N23 | H14 | 180.0° | 180.0° |
| C21 | C2 | N23 | H15 | 60.0° | 56.0° |
| C2 | C21 | N25 | H17 | 64.1° | 94.9° |
| N23 | C2 | C21 | C20 | 50.9° | 175.0° |
| N23 | C2 | H1 | H2 | 117.7° | 120.0° |
| N23 | C2 | C21 | H13 | 70.5° | 65.0° |
| C2 | N23 | H14 | H15 | 120.0° | 123.9° |
| C21 | C20 | C14 | H11 | 120.1° | 120.0° |
| C21 | C20 | C14 | H12 | 120.1° | 120.0° |
| C21 | C20 | C14 | C9 | 87.3° | 89.7° |
| C20 | C21 | C2 | H1 | 69.9° | 65.0° |
| C20 | C21 | C2 | H2 | 171.6° | 55.0° |
| C21 | C20 | H11 | H12 | 119.7° | 120.0° |
| C20 | C21 | N25 | H17 | 58.0° | 25.1° |
| C4 | C6 | C12 | H20 | 180.0° | 179.7° |
| C6 | C4 | C11 | H18 | 180.0° | 180.0° |
| C4 | C6 | C12 | C13 | 177.4° | 179.7° |
| C4 | C6 | C12 | C5 | 0.3° | 0.3° |
| C6 | C4 | C11 | C1 | 178.7° | 180.0° |
| C6 | C4 | C11 | C3 | 1.2° | 0.0° |
| C12 | C6 | C4 | C11 | 0.7° | 0.3° |
| C6 | C12 | C13 | C5 | 177.7° | 180.0° |
| C6 | C12 | C13 | C7 | 172.9° | 180.0° |
| C6 | C12 | C5 | C3 | 0.8° | 0.0° |
| C12 | C6 | C4 | H18 | 179.3° | 179.8° |
| C6 | C12 | C5 | H19 | 179.1° | 180.0° |
| C4 | C11 | C1 | C3 | 179.9° | 180.0° |
| C4 | C11 | C1 | N22 | 118.3° | 124.0° |
| C4 | C11 | C3 | C5 | 0.7° | 0.2° |
| C4 | C11 | C3 | H3 | 179.3° | 180.0° |
| C11 | C4 | C6 | H20 | 179.4° | 180.0° |
| C20 | C14 | C9 | C7 | 179.5° | 179.7° |
| C20 | C14 | C9 | H6 | 0.4° | 0.3° |
| C20 | C14 | C10 | H7 | 0.4° | 0.3° |
| C14 | C20 | H11 | H12 | 119.7° | 120.0° |
| C14 | C20 | C21 | H13 | 62.6° | 55.0° |
| C14 | C9 | C7 | C13 | 0.3° | 0.3° |
| C14 | C9 | C7 | H6 | 180.0° | 180.0° |
| C14 | C9 | C7 | H4 | 179.8° | 180.0° |
| C9 | C14 | C10 | H7 | 179.5° | 180.0° |
| C9 | C14 | C20 | H11 | 152.6° | 30.3° |
| C9 | C14 | C20 | H12 | 32.8° | 150.3° |
| C12 | C13 | C7 | C9 | 178.7° | 179.7° |
| C13 | C12 | C5 | C3 | 177.0° | 180.0° |
| C12 | C13 | C7 | H4 | 1.3° | 0.0° |
| C12 | C13 | C8 | H5 | 1.4° | 0.0° |
| C13 | C12 | C5 | H19 | 3.1° | 0.1° |
| C13 | C12 | C6 | H20 | 2.6° | 0.0° |
| C7 | C13 | C12 | C5 | 4.8° | 0.0° |
| C13 | C7 | C9 | H4 | 180.0° | 179.7° |
| C7 | C13 | C8 | H5 | 179.2° | 180.0° |
| C13 | C7 | C9 | H6 | 179.8° | 179.7° |
| C12 | C5 | C3 | C11 | 0.4° | 0.2° |
| C12 | C5 | C3 | H19 | 180.0° | 179.9° |
| C12 | C5 | C3 | H3 | 179.7° | 180.0° |
| C5 | C12 | C6 | H20 | 179.7° | 180.0° |
| C1 | C11 | C3 | C5 | 179.2° | 179.8° |
| C1 | C11 | C3 | H3 | 0.8° | 0.0° |
| C1 | C11 | C4 | H18 | 1.3° | 0.0° |
| C3 | C11 | C1 | N22 | 61.6° | 56.0° |
| C11 | C3 | C5 | H3 | 180.0° | 179.7° |
| C3 | C11 | C4 | H18 | 178.8° | 180.0° |
| C11 | C3 | C5 | H19 | 179.6° | 179.7° |
| H1 | C2 | C21 | H13 | 168.7° | 55.0° |
| H1 | C2 | N23 | H14 | 59.3° | 60.0° |
| H1 | C2 | N23 | H15 | 179.2° | 176.1° |
| H2 | C2 | C21 | H13 | 50.2° | 175.0° |
| H2 | C2 | N23 | H14 | 59.2° | 60.0° |
| H2 | C2 | N23 | H15 | 60.8° | 63.9° |
| H3 | C3 | C5 | H19 | 0.3° | 0.0° |
| H4 | C7 | C9 | H6 | 0.2° | 0.0° |
| H5 | C8 | C10 | H7 | 0.1° | 0.0° |
| H8 | C16 | C19 | H10 | 6.6° | 36.0° |
| H8 | C16 | C18 | H23 | 13.2° | 21.3° |
| H9 | C16 | C19 | H10 | 114.2° | 159.1° |
| H9 | C16 | C18 | H23 | 134.0° | 144.3° |
| H10 | C19 | C17 | H21 | 96.4° | 160.2° |
| H10 | C19 | C17 | H22 | 24.3° | 37.8° |
| H10 | C19 | O27 | H26 | 56.5° | 62.5° |
| H11 | C20 | C21 | H13 | 177.3° | 65.0° |
| H12 | C20 | C21 | H13 | 57.5° | 175.0° |
| H13 | C21 | N25 | H17 | 177.3° | 145.1° |
| H18 | C4 | C6 | H20 | 0.6° | 0.0° |
| H21 | C17 | N24 | H24 | 33.0° | 27.5° |
| H22 | C17 | N24 | H24 | 153.7° | 94.8° |
| H23 | C18 | N24 | H24 | 149.2° | 117.3° |
