K9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.36Å | |
| C1 | O3 | doub | 1.22Å | 1.22Å | |
| C1 | C20 | sing | 1.47Å | 1.46Å | |
| N2 | C4 | sing | 1.40Å | 1.41Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | N12 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | N10 | sing | 1.36Å | 1.40Å | Aromatic |
| N10 | C11 | doub | 1.31Å | 1.38Å | Aromatic |
| C11 | N12 | sing | 1.37Å | 1.32Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.47Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| N19 | N21 | sing | 1.28Å | 1.30Å | Aromatic |
| N19 | C24 | sing | 1.46Å | 1.48Å | |
| C20 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| N21 | C23 | doub | 1.31Å | 1.32Å | Aromatic |
| C22 | CL25 | sing | 1.74Å | 1.74Å | |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.55Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N12 | H4 | sing | 0.97Å | 1.00Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O3 | 123.1° | 120.0° |
| N2 | C1 | C20 | 120.9° | 120.0° |
| C1 | N2 | C4 | 121.9° | 120.0° |
| C1 | N2 | H13 | 119.1° | 120.0° |
| O3 | C1 | C20 | 116.0° | 120.0° |
| C1 | C20 | N19 | 126.2° | 126.9° |
| C1 | C20 | C22 | 126.3° | 126.9° |
| N2 | C4 | C5 | 119.4° | 119.8° |
| N2 | C4 | C7 | 121.2° | 119.8° |
| C4 | N2 | H13 | 119.0° | 120.0° |
| C5 | C4 | C7 | 119.3° | 120.4° |
| C4 | C5 | C6 | 121.7° | 120.6° |
| C4 | C5 | H1 | 119.2° | 119.7° |
| C4 | C7 | C8 | 119.9° | 119.6° |
| C4 | C7 | H3 | 120.0° | 120.2° |
| C5 | C6 | C9 | 119.8° | 120.0° |
| C6 | C5 | H1 | 119.2° | 119.7° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| C6 | C9 | C8 | 118.8° | 119.5° |
| C6 | C9 | N10 | 133.7° | 133.3° |
| C9 | C6 | H2 | 120.1° | 120.0° |
| C7 | C8 | C9 | 120.6° | 119.9° |
| C7 | C8 | N12 | 132.6° | 133.9° |
| C8 | C7 | H3 | 120.0° | 120.2° |
| C9 | C8 | N12 | 106.8° | 106.2° |
| C8 | C9 | N10 | 107.6° | 107.1° |
| C8 | N12 | C11 | 109.0° | 107.2° |
| C8 | N12 | H4 | 125.5° | 126.4° |
| C9 | N10 | C11 | 105.0° | 109.7° |
| N10 | C11 | N12 | 111.6° | 109.7° |
| N10 | C11 | C13 | 124.2° | 125.1° |
| N12 | C11 | C13 | 124.1° | 125.1° |
| C11 | N12 | H4 | 125.5° | 126.4° |
| C11 | C13 | C14 | 119.9° | 120.1° |
| C11 | C13 | C18 | 119.5° | 120.1° |
| C14 | C13 | C18 | 120.6° | 119.7° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C13 | C14 | H15 | 119.9° | 120.1° |
| C13 | C18 | C17 | 118.2° | 119.8° |
| C13 | C18 | H17 | 120.9° | 120.1° |
| C14 | C15 | C16 | 119.5° | 120.1° |
| C14 | C15 | H5 | 120.2° | 120.0° |
| C15 | C14 | H15 | 119.8° | 120.1° |
| C15 | C16 | C17 | 120.2° | 120.3° |
| C16 | C15 | H5 | 120.3° | 119.9° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | C18 | 121.2° | 120.1° |
| C16 | C17 | H6 | 119.4° | 119.9° |
| C17 | C16 | H16 | 119.9° | 119.8° |
| C18 | C17 | H6 | 119.4° | 120.0° |
| C17 | C18 | H17 | 120.9° | 120.1° |
| C20 | N19 | N21 | 108.0° | 109.6° |
| C20 | N19 | C24 | 126.2° | 125.2° |
| N19 | C20 | C22 | 107.5° | 106.2° |
| N21 | N19 | C24 | 125.8° | 125.2° |
| N19 | N21 | C23 | 111.8° | 111.0° |
| N19 | C24 | C26 | 111.8° | 109.4° |
| N19 | C24 | H7 | 108.9° | 109.5° |
| N19 | C24 | H8 | 108.9° | 109.5° |
| C20 | C22 | CL25 | 126.8° | 127.3° |
| C20 | C22 | C23 | 105.6° | 105.3° |
| N21 | C23 | C22 | 107.2° | 107.8° |
| N21 | C23 | H18 | 126.4° | 126.1° |
| CL25 | C22 | C23 | 127.7° | 127.4° |
| C22 | C23 | H18 | 126.4° | 126.0° |
| C24 | C26 | C27 | 110.8° | 109.5° |
| C24 | C26 | C28 | 111.9° | 109.5° |
| C26 | C24 | H7 | 108.9° | 109.5° |
| C26 | C24 | H8 | 108.9° | 109.4° |
| C24 | C26 | H9 | 107.5° | 109.5° |
| C27 | C26 | C28 | 111.4° | 109.5° |
| C27 | C26 | H9 | 107.5° | 109.4° |
| C26 | C27 | H19 | 109.5° | 109.5° |
| C26 | C27 | H20 | 109.4° | 109.5° |
| C26 | C27 | H21 | 109.5° | 109.4° |
| C28 | C26 | H9 | 107.4° | 109.5° |
| C26 | C28 | H10 | 109.5° | 109.5° |
| C26 | C28 | H11 | 109.4° | 109.5° |
| C26 | C28 | H12 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.5° | 109.4° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H21 | 109.5° | 109.4° |
| H20 | C27 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O3 | C20 | 179.5° | 180.0° |
| C1 | N2 | C4 | H13 | 180.0° | 179.9° |
| C1 | N2 | C4 | C5 | 38.6° | 34.2° |
| C1 | N2 | C4 | C7 | 144.7° | 145.5° |
| N2 | C1 | C20 | N19 | 163.5° | 86.6° |
| N2 | C1 | C20 | C22 | 19.4° | 93.8° |
| O3 | C1 | N2 | C4 | 2.4° | 5.4° |
| O3 | C1 | C20 | N19 | 17.0° | 93.4° |
| O3 | C1 | C20 | C22 | 160.1° | 86.2° |
| O3 | C1 | N2 | H13 | 177.5° | 174.5° |
| C20 | C1 | N2 | C4 | 177.0° | 174.6° |
| C1 | C20 | N19 | C22 | 177.5° | 179.7° |
| C1 | C20 | N19 | N21 | 178.7° | 179.7° |
| C1 | C20 | N19 | C24 | 0.6° | 0.4° |
| C1 | C20 | C22 | CL25 | 3.4° | 0.0° |
| C1 | C20 | C22 | C23 | 178.8° | 179.9° |
| C20 | C1 | N2 | H13 | 3.0° | 5.5° |
| N2 | C4 | C5 | C7 | 176.8° | 179.7° |
| N2 | C4 | C5 | C6 | 179.2° | 179.8° |
| N2 | C4 | C7 | C8 | 178.5° | 179.7° |
| N2 | C4 | C5 | H1 | 0.7° | 0.3° |
| N2 | C4 | C7 | H3 | 1.5° | 0.3° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C9 | 1.8° | 0.1° |
| C5 | C4 | C7 | C8 | 1.7° | 0.0° |
| C4 | C5 | C6 | H2 | 178.2° | 180.0° |
| C5 | C4 | C7 | H3 | 178.3° | 180.0° |
| C5 | C4 | N2 | H13 | 141.5° | 145.9° |
| C7 | C4 | C5 | C6 | 2.4° | 0.1° |
| C4 | C7 | C8 | H3 | 180.0° | 180.0° |
| C4 | C7 | C8 | C9 | 0.5° | 0.0° |
| C4 | C7 | C8 | N12 | 178.8° | 180.0° |
| C7 | C4 | C5 | H1 | 177.6° | 180.0° |
| C7 | C4 | N2 | H13 | 35.3° | 34.4° |
| C5 | C6 | C9 | H2 | 180.0° | 179.9° |
| C5 | C6 | C9 | C8 | 0.6° | 0.0° |
| C5 | C6 | C9 | N10 | 179.5° | 179.9° |
| C6 | C9 | C8 | C7 | 0.1° | 0.0° |
| C6 | C9 | C8 | N10 | 180.0° | 180.0° |
| C6 | C9 | C8 | N12 | 179.5° | 180.0° |
| C6 | C9 | N10 | C11 | 180.0° | 180.0° |
| C9 | C6 | C5 | H1 | 178.1° | 180.0° |
| C7 | C8 | C9 | N12 | 179.5° | 180.0° |
| C7 | C8 | C9 | N10 | 179.9° | 180.0° |
| C7 | C8 | N12 | C11 | 179.9° | 180.0° |
| C7 | C8 | N12 | H4 | 0.1° | 0.0° |
| C8 | C9 | N10 | C11 | 0.0° | 0.0° |
| C9 | C8 | N12 | C11 | 0.7° | 0.0° |
| C8 | C9 | C6 | H2 | 179.4° | 180.0° |
| C9 | C8 | C7 | H3 | 179.5° | 180.0° |
| C9 | C8 | N12 | H4 | 179.3° | 180.0° |
| N12 | C8 | C9 | N10 | 0.4° | 0.0° |
| C8 | N12 | C11 | N10 | 0.8° | 0.0° |
| C8 | N12 | C11 | H4 | 180.0° | 180.0° |
| C8 | N12 | C11 | C13 | 178.1° | 180.0° |
| N12 | C8 | C7 | H3 | 1.2° | 0.0° |
| C9 | N10 | C11 | N12 | 0.5° | 0.0° |
| C9 | N10 | C11 | C13 | 177.8° | 180.0° |
| N10 | C9 | C6 | H2 | 0.5° | 0.0° |
| N10 | C11 | N12 | C13 | 177.4° | 180.0° |
| N10 | C11 | C13 | C14 | 170.6° | 0.0° |
| N10 | C11 | C13 | C18 | 6.5° | 179.7° |
| N10 | C11 | N12 | H4 | 179.2° | 180.0° |
| N12 | C11 | C13 | C14 | 6.4° | 180.0° |
| N12 | C11 | C13 | C18 | 176.4° | 0.3° |
| C11 | C13 | C14 | C18 | 177.1° | 179.7° |
| C11 | C13 | C14 | C15 | 178.4° | 179.7° |
| C11 | C13 | C18 | C17 | 179.6° | 179.7° |
| C13 | C11 | N12 | H4 | 1.9° | 0.0° |
| C11 | C13 | C14 | H15 | 1.5° | 0.3° |
| C11 | C13 | C18 | H17 | 0.4° | 0.2° |
| C13 | C14 | C15 | H15 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C14 | C13 | C18 | C17 | 2.5° | 0.1° |
| C13 | C14 | C15 | H5 | 179.4° | 180.0° |
| C14 | C13 | C18 | H17 | 177.6° | 179.9° |
| C18 | C13 | C14 | C15 | 1.3° | 0.1° |
| C13 | C18 | C17 | C16 | 1.8° | 0.1° |
| C13 | C18 | C17 | H17 | 180.0° | 180.0° |
| C13 | C18 | C17 | H6 | 178.2° | 180.0° |
| C18 | C13 | C14 | H15 | 178.7° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.2° | 0.1° |
| C14 | C15 | C16 | H16 | 178.8° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | H15 | 179.5° | 180.0° |
| C16 | C17 | C18 | H6 | 180.0° | 179.9° |
| C17 | C16 | C15 | H5 | 178.8° | 180.0° |
| C16 | C17 | C18 | H17 | 178.2° | 179.9° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C20 | N19 | N21 | C24 | 179.3° | 179.9° |
| C20 | N19 | N21 | C23 | 0.6° | 0.2° |
| N19 | C20 | C22 | CL25 | 179.1° | 179.7° |
| N19 | C20 | C22 | C23 | 1.3° | 0.2° |
| C20 | N19 | C24 | C26 | 88.1° | 89.5° |
| C20 | N19 | C24 | H7 | 151.6° | 30.5° |
| C20 | N19 | C24 | H8 | 32.3° | 150.5° |
| N21 | N19 | C20 | C22 | 1.2° | 0.0° |
| N19 | N21 | C23 | C22 | 0.2° | 0.4° |
| N21 | N19 | C24 | C26 | 92.7° | 90.6° |
| N21 | N19 | C24 | H7 | 27.6° | 149.4° |
| N21 | N19 | C24 | H8 | 146.9° | 29.4° |
| N19 | N21 | C23 | H18 | 179.8° | 180.0° |
| C24 | N19 | C20 | C22 | 178.1° | 180.0° |
| C24 | N19 | N21 | C23 | 178.7° | 179.7° |
| N19 | C24 | C26 | H7 | 120.3° | 120.0° |
| N19 | C24 | C26 | H8 | 120.4° | 120.0° |
| N19 | C24 | C26 | C27 | 38.1° | 174.9° |
| N19 | C24 | C26 | C28 | 163.1° | 65.0° |
| N19 | C24 | H7 | H8 | 119.0° | 120.1° |
| N19 | C24 | C26 | H9 | 79.1° | 55.0° |
| C20 | C22 | C23 | N21 | 0.9° | 0.4° |
| C20 | C22 | CL25 | C23 | 177.3° | 180.0° |
| C20 | C22 | C23 | H18 | 179.1° | 180.0° |
| N21 | C23 | C22 | CL25 | 178.7° | 179.6° |
| N21 | C23 | C22 | H18 | 180.0° | 179.7° |
| CL25 | C22 | C23 | H18 | 1.3° | 0.1° |
| C24 | C26 | C27 | C28 | 125.3° | 120.1° |
| C24 | C26 | C27 | H9 | 117.2° | 119.9° |
| C24 | C26 | C28 | H9 | 117.8° | 120.0° |
| C26 | C24 | H7 | H8 | 118.9° | 120.0° |
| C24 | C26 | C28 | H10 | 180.0° | 180.0° |
| C24 | C26 | C28 | H11 | 60.0° | 60.0° |
| C24 | C26 | C28 | H12 | 60.0° | 60.0° |
| C24 | C26 | C27 | H19 | 180.0° | 59.9° |
| C24 | C26 | C27 | H20 | 60.0° | 180.0° |
| C24 | C26 | C27 | H21 | 60.0° | 60.1° |
| C27 | C26 | C28 | H9 | 117.6° | 120.0° |
| C27 | C26 | C24 | H7 | 82.2° | 54.9° |
| C27 | C26 | C24 | H8 | 158.5° | 65.1° |
| C27 | C26 | C28 | H10 | 55.3° | 59.9° |
| C27 | C26 | C28 | H11 | 64.7° | 180.0° |
| C27 | C26 | C28 | H12 | 175.3° | 60.0° |
| C26 | C27 | H19 | H20 | 120.0° | 120.1° |
| C26 | C27 | H19 | H21 | 120.0° | 119.9° |
| C26 | C27 | H20 | H21 | 120.0° | 119.9° |
| C28 | C26 | C24 | H7 | 42.8° | 175.0° |
| C28 | C26 | C24 | H8 | 76.5° | 55.0° |
| C26 | C28 | H10 | H11 | 120.0° | 120.1° |
| C26 | C28 | H10 | H12 | 120.0° | 120.0° |
| C26 | C28 | H11 | H12 | 120.0° | 120.1° |
| C28 | C26 | C27 | H19 | 54.7° | 180.0° |
| C28 | C26 | C27 | H20 | 174.7° | 59.9° |
| C28 | C26 | C27 | H21 | 65.3° | 60.0° |
| H1 | C5 | C6 | H2 | 1.8° | 0.0° |
| H5 | C15 | C14 | H15 | 0.5° | 0.1° |
| H5 | C15 | C16 | H16 | 1.2° | 0.0° |
| H6 | C17 | C16 | H16 | 0.1° | 0.0° |
| H6 | C17 | C18 | H17 | 1.8° | 0.0° |
| H7 | C24 | C26 | H9 | 160.6° | 65.0° |
| H8 | C24 | C26 | H9 | 41.2° | 175.0° |
| H9 | C26 | C28 | H10 | 62.3° | 60.0° |
| H9 | C26 | C28 | H11 | 177.7° | 60.0° |
| H9 | C26 | C28 | H12 | 57.7° | 180.0° |
| H9 | C26 | C27 | H19 | 62.8° | 60.0° |
| H9 | C26 | C27 | H20 | 57.2° | 60.1° |
| H9 | C26 | C27 | H21 | 177.2° | 180.0° |
| H10 | C28 | H11 | H12 | 120.0° | 119.9° |
| H19 | C27 | H20 | H21 | 120.0° | 120.0° |
