K9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.55Å | 1.50Å | |
| C16 | C18 | sing | 1.55Å | 1.50Å | |
| C17 | C19 | sing | 1.54Å | 1.52Å | |
| C18 | N24 | sing | 1.49Å | 1.46Å | |
| C19 | N24 | sing | 1.48Å | 1.47Å | |
| C19 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | N25 | sing | 1.35Å | 1.37Å | |
| C15 | O26 | doub | 1.21Å | 1.22Å | |
| N25 | C21 | sing | 1.47Å | 1.45Å | |
| C10 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C21 | sing | 1.53Å | 1.51Å | |
| C2 | N23 | sing | 1.47Å | 1.44Å | |
| C8 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.39Å | 1.38Å | 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 |
| C1 | N22 | trip | 1.14Å | 1.16Å | |
| C9 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| 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 | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N24 | H25 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C18 | 101.1° | 102.9° |
| C16 | C17 | C19 | 106.1° | 105.1° |
| C17 | C16 | H8 | 111.5° | 110.7° |
| C17 | C16 | H9 | 111.5° | 110.8° |
| C16 | C17 | H21 | 110.3° | 110.3° |
| C16 | C17 | H22 | 110.3° | 110.3° |
| C16 | C18 | N24 | 108.0° | 103.2° |
| C18 | C16 | H8 | 111.5° | 110.7° |
| C18 | C16 | H9 | 111.6° | 110.7° |
| C16 | C18 | H23 | 109.8° | 110.7° |
| C16 | C18 | H24 | 109.8° | 110.7° |
| C17 | C19 | N24 | 107.1° | 107.1° |
| C17 | C19 | C15 | 107.3° | 109.9° |
| C17 | C19 | H10 | 111.3° | 110.1° |
| C19 | C17 | H21 | 110.3° | 110.3° |
| C19 | C17 | H22 | 110.3° | 110.4° |
| C18 | N24 | C19 | 105.6° | 105.8° |
| N24 | C18 | H23 | 109.9° | 110.6° |
| N24 | C18 | H24 | 109.9° | 110.7° |
| C18 | N24 | H25 | 110.4° | 111.0° |
| N24 | C19 | C15 | 107.1° | 109.9° |
| N24 | C19 | H10 | 112.1° | 109.9° |
| C19 | N24 | H25 | 110.4° | 111.0° |
| C19 | C15 | N25 | 111.2° | 120.0° |
| C19 | C15 | O26 | 124.5° | 120.0° |
| C15 | C19 | H10 | 111.6° | 109.9° |
| N25 | C15 | O26 | 124.3° | 120.0° |
| C15 | N25 | C21 | 122.3° | 120.0° |
| C15 | N25 | H17 | 118.8° | 120.0° |
| N25 | C21 | C2 | 105.7° | 109.5° |
| N25 | C21 | C20 | 108.8° | 109.5° |
| N25 | C21 | H13 | 110.9° | 109.5° |
| C21 | N25 | H17 | 118.9° | 120.0° |
| C8 | C10 | C14 | 119.9° | 120.2° |
| C10 | C8 | C13 | 121.4° | 119.8° |
| C10 | C8 | H5 | 119.3° | 120.1° |
| C8 | C10 | H7 | 120.1° | 119.9° |
| C10 | C14 | C20 | 120.4° | 119.8° |
| C10 | C14 | C9 | 119.6° | 120.2° |
| C14 | C10 | H7 | 120.0° | 120.0° |
| C21 | C2 | N23 | 113.1° | 109.5° |
| C2 | C21 | C20 | 111.4° | 109.5° |
| C21 | C2 | H1 | 108.6° | 109.5° |
| C21 | C2 | H2 | 108.6° | 109.5° |
| C2 | C21 | H13 | 110.1° | 109.4° |
| N23 | C2 | H1 | 108.6° | 109.5° |
| N23 | C2 | H2 | 108.6° | 109.4° |
| C2 | N23 | H14 | 109.5° | 111.0° |
| C2 | N23 | H15 | 109.5° | 111.0° |
| C8 | C13 | C12 | 120.8° | 120.1° |
| C8 | C13 | C7 | 117.9° | 119.8° |
| C13 | C8 | H5 | 119.3° | 120.1° |
| C21 | C20 | C14 | 110.3° | 109.5° |
| C21 | C20 | H11 | 109.3° | 109.5° |
| C21 | C20 | H12 | 109.3° | 109.5° |
| C20 | C21 | H13 | 109.8° | 109.5° |
| C4 | C6 | C12 | 121.1° | 120.0° |
| C6 | C4 | C11 | 119.5° | 119.9° |
| C6 | C4 | H18 | 120.2° | 120.0° |
| C4 | C6 | H20 | 119.4° | 120.0° |
| C6 | C12 | C13 | 120.7° | 120.0° |
| C6 | C12 | C5 | 118.3° | 120.1° |
| C12 | C6 | H20 | 119.4° | 120.0° |
| C4 | C11 | C1 | 119.4° | 120.0° |
| C4 | C11 | C3 | 120.6° | 120.0° |
| C11 | C4 | H18 | 120.3° | 120.0° |
| C20 | C14 | C9 | 120.1° | 119.9° |
| C14 | C20 | H11 | 109.3° | 109.4° |
| C14 | C20 | H12 | 109.3° | 109.5° |
| C14 | C9 | C7 | 119.7° | 120.1° |
| C14 | C9 | H6 | 120.1° | 119.9° |
| C12 | C13 | C7 | 121.2° | 120.1° |
| C13 | C12 | C5 | 121.0° | 120.0° |
| C13 | C7 | C9 | 121.5° | 119.9° |
| C13 | C7 | H4 | 119.2° | 120.1° |
| C12 | C5 | C3 | 121.3° | 120.0° |
| C12 | C5 | H19 | 119.3° | 120.0° |
| C1 | C11 | C3 | 120.1° | 120.0° |
| C11 | C1 | N22 | 178.8° | 179.9° |
| C11 | C3 | C5 | 119.2° | 119.9° |
| C11 | C3 | H3 | 120.4° | 120.0° |
| C9 | C7 | H4 | 119.3° | 120.0° |
| C7 | C9 | H6 | 120.2° | 120.0° |
| C5 | C3 | H3 | 120.4° | 120.0° |
| C3 | C5 | H19 | 119.3° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 110.8° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H14 | N23 | H15 | 109.5° | 111.0° |
| H21 | C17 | H22 | 109.5° | 110.4° |
| H23 | C18 | H24 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C18 | H8 | 118.6° | 118.4° |
| C17 | C16 | C18 | H9 | 118.6° | 118.4° |
| C16 | C17 | C19 | H21 | 119.5° | 118.9° |
| C16 | C17 | C19 | H22 | 119.5° | 118.9° |
| C17 | C16 | C18 | N24 | 35.5° | 37.4° |
| C16 | C17 | C19 | N24 | 13.8° | 1.2° |
| C16 | C17 | C19 | C15 | 100.9° | 120.6° |
| C17 | C16 | H8 | H9 | 123.9° | 123.3° |
| C16 | C17 | C19 | H10 | 136.6° | 118.2° |
| C16 | C17 | H21 | H22 | 121.6° | 122.1° |
| C17 | C16 | C18 | H23 | 155.3° | 155.8° |
| C17 | C16 | C18 | H24 | 84.3° | 81.1° |
| C18 | C16 | C17 | C19 | 29.2° | 21.9° |
| C16 | C18 | N24 | H23 | 119.8° | 118.5° |
| C16 | C18 | N24 | H24 | 119.8° | 118.5° |
| C16 | C18 | N24 | C19 | 27.8° | 39.2° |
| C18 | C16 | H8 | H9 | 123.9° | 123.2° |
| C18 | C16 | C17 | H21 | 90.3° | 97.0° |
| C18 | C16 | C17 | H22 | 148.6° | 140.9° |
| C16 | C18 | H23 | H24 | 120.6° | 123.1° |
| C16 | C18 | N24 | H25 | 91.6° | 81.3° |
| C17 | C19 | N24 | C18 | 8.2° | 25.3° |
| C17 | C19 | N24 | C15 | 114.8° | 119.3° |
| C17 | C19 | N24 | H10 | 122.4° | 119.6° |
| C17 | C19 | C15 | H10 | 122.2° | 121.3° |
| C17 | C19 | C15 | N25 | 75.8° | 81.0° |
| C17 | C19 | C15 | O26 | 102.4° | 99.1° |
| C19 | C17 | C16 | H8 | 89.5° | 96.4° |
| C19 | C17 | C16 | H9 | 147.8° | 140.3° |
| C19 | C17 | H21 | H22 | 121.6° | 122.2° |
| C17 | C19 | N24 | H25 | 111.2° | 95.2° |
| C18 | N24 | C19 | H25 | 119.4° | 120.5° |
| C18 | N24 | C19 | C15 | 123.1° | 144.7° |
| N24 | C18 | C16 | H8 | 83.1° | 80.9° |
| N24 | C18 | C16 | H9 | 154.1° | 155.8° |
| C18 | N24 | C19 | H10 | 114.2° | 94.2° |
| N24 | C18 | H23 | H24 | 120.7° | 123.1° |
| N24 | C19 | C15 | H10 | 123.1° | 121.1° |
| N24 | C19 | C15 | N25 | 169.5° | 161.4° |
| N24 | C19 | C15 | O26 | 12.3° | 18.5° |
| N24 | C19 | C17 | H21 | 105.7° | 120.1° |
| N24 | C19 | C17 | H22 | 133.2° | 117.7° |
| C19 | N24 | C18 | H23 | 147.6° | 157.7° |
| C19 | N24 | C18 | H24 | 92.0° | 79.3° |
| C19 | C15 | N25 | O26 | 178.2° | 180.0° |
| C19 | C15 | N25 | C21 | 174.7° | 180.0° |
| C19 | C15 | N25 | H17 | 5.3° | 0.0° |
| C15 | C19 | C17 | H21 | 139.6° | 120.5° |
| C15 | C19 | C17 | H22 | 18.5° | 1.7° |
| C15 | C19 | N24 | H25 | 3.7° | 24.2° |
| C15 | N25 | C21 | H17 | 180.0° | 180.0° |
| C15 | N25 | C21 | C2 | 119.7° | 85.0° |
| C15 | N25 | C21 | C20 | 120.6° | 155.0° |
| N25 | C15 | C19 | H10 | 46.4° | 40.4° |
| C15 | N25 | C21 | H13 | 0.3° | 35.0° |
| O26 | C15 | N25 | C21 | 7.0° | 0.0° |
| O26 | C15 | C19 | H10 | 135.3° | 139.6° |
| O26 | C15 | N25 | H17 | 173.0° | 180.0° |
| N25 | C21 | C2 | C20 | 118.0° | 120.0° |
| N25 | C21 | C2 | H13 | 119.9° | 120.0° |
| N25 | C21 | C2 | N23 | 177.6° | 55.0° |
| N25 | C21 | C20 | H13 | 121.6° | 120.0° |
| N25 | C21 | C20 | C14 | 57.1° | 65.0° |
| N25 | C21 | C2 | H1 | 57.0° | 175.0° |
| N25 | C21 | C2 | H2 | 61.9° | 65.0° |
| N25 | C21 | C20 | H11 | 63.0° | 175.0° |
| N25 | C21 | C20 | H12 | 177.2° | 55.0° |
| C8 | C10 | C14 | H7 | 180.0° | 179.7° |
| C10 | C8 | C13 | H5 | 180.0° | 180.0° |
| C8 | C10 | C14 | C20 | 179.8° | 180.0° |
| C8 | C10 | C14 | C9 | 1.1° | 0.3° |
| C10 | C8 | C13 | C12 | 178.3° | 179.9° |
| C10 | C8 | C13 | C7 | 0.7° | 0.0° |
| C14 | C10 | C8 | C13 | 0.3° | 0.3° |
| C10 | C14 | C20 | C21 | 91.8° | 90.0° |
| C10 | C14 | C20 | C9 | 179.1° | 179.7° |
| C10 | C14 | C9 | C7 | 0.9° | 0.0° |
| C14 | C10 | C8 | H5 | 179.7° | 179.7° |
| C10 | C14 | C9 | H6 | 179.2° | 180.0° |
| C10 | C14 | C20 | H11 | 28.3° | 150.0° |
| C10 | C14 | C20 | H12 | 148.1° | 30.0° |
| C21 | C2 | N23 | H1 | 120.5° | 120.0° |
| C21 | C2 | N23 | H2 | 120.6° | 120.0° |
| C2 | C21 | C20 | H13 | 122.3° | 120.0° |
| C2 | C21 | C20 | C14 | 173.2° | 174.9° |
| C21 | C2 | H1 | H2 | 118.4° | 120.1° |
| C2 | C21 | C20 | H11 | 53.1° | 55.0° |
| C2 | C21 | C20 | H12 | 66.7° | 65.0° |
| C21 | C2 | N23 | H14 | 180.0° | 180.0° |
| C21 | C2 | N23 | H15 | 60.0° | 56.0° |
| C2 | C21 | N25 | H17 | 60.3° | 95.0° |
| N23 | C2 | C21 | C20 | 59.6° | 175.0° |
| N23 | C2 | H1 | H2 | 118.3° | 119.9° |
| N23 | C2 | C21 | H13 | 62.5° | 65.0° |
| C2 | N23 | H14 | H15 | 120.0° | 123.9° |
| C8 | C13 | C12 | C6 | 6.5° | 0.1° |
| C8 | C13 | C12 | C7 | 177.5° | 179.9° |
| C8 | C13 | C12 | C5 | 175.0° | 180.0° |
| C8 | C13 | C7 | C9 | 1.0° | 0.3° |
| C8 | C13 | C7 | H4 | 179.0° | 180.0° |
| C13 | C8 | C10 | H7 | 179.8° | 180.0° |
| C21 | C20 | C14 | H11 | 120.1° | 120.0° |
| C21 | C20 | C14 | H12 | 120.1° | 120.0° |
| C21 | C20 | C14 | C9 | 89.1° | 89.7° |
| C20 | C21 | C2 | H1 | 61.0° | 65.0° |
| C20 | C21 | C2 | H2 | 179.9° | 55.0° |
| C21 | C20 | H11 | H12 | 119.6° | 120.0° |
| C20 | C21 | N25 | H17 | 59.4° | 25.0° |
| C4 | C6 | C12 | H20 | 180.0° | 179.7° |
| C6 | C4 | C11 | H18 | 180.0° | 180.0° |
| C4 | C6 | C12 | C13 | 178.6° | 179.8° |
| C4 | C6 | C12 | C5 | 0.1° | 0.3° |
| C6 | C4 | C11 | C1 | 179.7° | 179.9° |
| C6 | C4 | C11 | C3 | 1.0° | 0.1° |
| C12 | C6 | C4 | C11 | 0.9° | 0.2° |
| C6 | C12 | C13 | C5 | 178.5° | 179.9° |
| C6 | C12 | C13 | C7 | 170.9° | 180.0° |
| C6 | C12 | C5 | C3 | 0.6° | 0.0° |
| C12 | C6 | C4 | H18 | 179.1° | 179.8° |
| C6 | C12 | C5 | H19 | 179.4° | 180.0° |
| C4 | C11 | C1 | C3 | 179.3° | 179.9° |
| C4 | C11 | C1 | N22 | 58.6° | 71.4° |
| C4 | C11 | C3 | C5 | 0.4° | 0.3° |
| C4 | C11 | C3 | H3 | 179.6° | 180.0° |
| C11 | C4 | C6 | H20 | 179.1° | 179.9° |
| C20 | C14 | C9 | C7 | 180.0° | 179.7° |
| C20 | C14 | C9 | H6 | 0.1° | 0.3° |
| C20 | C14 | C10 | H7 | 0.2° | 0.3° |
| C14 | C20 | H11 | H12 | 119.6° | 120.0° |
| C14 | C20 | C21 | H13 | 64.5° | 55.0° |
| C14 | C9 | C7 | C13 | 0.2° | 0.3° |
| C14 | C9 | C7 | H6 | 180.0° | 179.9° |
| C14 | C9 | C7 | H4 | 179.8° | 179.9° |
| C9 | C14 | C10 | H7 | 178.9° | 180.0° |
| C9 | C14 | C20 | H11 | 150.8° | 30.3° |
| C9 | C14 | C20 | H12 | 31.0° | 150.3° |
| C12 | C13 | C7 | C9 | 178.5° | 179.7° |
| C13 | C12 | C5 | C3 | 177.9° | 180.0° |
| C12 | C13 | C7 | H4 | 1.5° | 0.0° |
| C12 | C13 | C8 | H5 | 1.7° | 0.0° |
| C13 | C12 | C5 | H19 | 2.1° | 0.1° |
| C13 | C12 | C6 | H20 | 1.4° | 0.1° |
| C7 | C13 | C12 | C5 | 7.5° | 0.1° |
| C13 | C7 | C9 | H4 | 180.0° | 179.7° |
| C7 | C13 | C8 | H5 | 179.3° | 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 | 179.6° | 179.9° |
| C5 | C12 | C6 | H20 | 179.9° | 180.0° |
| C1 | C11 | C3 | C5 | 179.7° | 179.8° |
| C1 | C11 | C3 | H3 | 0.3° | 0.1° |
| C1 | C11 | C4 | H18 | 0.3° | 0.1° |
| C3 | C11 | C1 | N22 | 122.2° | 108.7° |
| C11 | C3 | C5 | H3 | 180.0° | 179.7° |
| C3 | C11 | C4 | H18 | 179.0° | 179.9° |
| C11 | C3 | C5 | H19 | 179.6° | 179.7° |
| H1 | C2 | C21 | H13 | 176.9° | 55.0° |
| H1 | C2 | N23 | H14 | 59.4° | 60.0° |
| H1 | C2 | N23 | H15 | 179.5° | 176.0° |
| H2 | C2 | C21 | H13 | 58.0° | 175.0° |
| H2 | C2 | N23 | H14 | 59.5° | 60.0° |
| H2 | C2 | N23 | H15 | 60.6° | 64.0° |
| H3 | C3 | C5 | H19 | 0.4° | 0.0° |
| H4 | C7 | C9 | H6 | 0.2° | 0.0° |
| H5 | C8 | C10 | H7 | 0.3° | 0.0° |
| H8 | C16 | C17 | H21 | 151.1° | 144.7° |
| H8 | C16 | C17 | H22 | 30.0° | 22.5° |
| H8 | C16 | C18 | H23 | 36.7° | 37.5° |
| H8 | C16 | C18 | H24 | 157.1° | 160.6° |
| H9 | C16 | C17 | H21 | 28.3° | 21.4° |
| H9 | C16 | C17 | H22 | 92.7° | 100.7° |
| H9 | C16 | C18 | H23 | 86.1° | 85.8° |
| H9 | C16 | C18 | H24 | 34.3° | 37.4° |
| H10 | C19 | C17 | H21 | 17.2° | 0.7° |
| H10 | C19 | C17 | H22 | 103.9° | 122.9° |
| H10 | C19 | N24 | H25 | 126.4° | 145.2° |
| H11 | C20 | C21 | H13 | 175.4° | 65.0° |
| H12 | C20 | C21 | H13 | 55.6° | 175.0° |
| H13 | C21 | N25 | H17 | 179.7° | 145.0° |
| H18 | C4 | C6 | H20 | 0.9° | 0.1° |
| H23 | C18 | N24 | H25 | 28.2° | 37.2° |
| H24 | C18 | N24 | H25 | 148.6° | 160.3° |
