K18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N5 | sing | 1.39Å | 1.42Å | |
| C1 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| N2 | C13 | sing | 1.40Å | 1.43Å | |
| N2 | N8 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C15 | sing | 1.47Å | 1.46Å | |
| N3 | C6 | sing | 1.35Å | 1.36Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.42Å | Aromatic |
| N4 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| N5 | C9 | sing | 1.35Å | 1.37Å | |
| C6 | C7 | doub | 1.35Å | 1.38Å | Aromatic |
| C6 | C18 | sing | 1.51Å | 1.53Å | |
| C7 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| N8 | C12 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | N16 | sing | 1.35Å | 1.36Å | |
| C9 | O14 | doub | 1.22Å | 1.22Å | |
| C10 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C19 | sing | 1.51Å | 1.53Å | |
| C13 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C20 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C1 | C10 | 127.6° | 126.3° |
| N5 | C1 | N2 | 125.1° | 126.3° |
| C1 | N5 | C9 | 128.9° | 120.0° |
| C1 | N5 | H11 | 115.5° | 119.9° |
| C10 | C1 | N2 | 107.3° | 107.4° |
| C1 | C10 | C12 | 107.8° | 107.9° |
| C1 | C10 | H2 | 126.1° | 126.1° |
| C1 | N2 | C13 | 126.7° | 126.1° |
| C1 | N2 | N8 | 107.4° | 107.8° |
| C13 | N2 | N8 | 125.9° | 126.1° |
| N2 | C13 | C20 | 120.2° | 120.1° |
| N2 | C13 | C21 | 120.7° | 120.0° |
| N2 | N8 | C12 | 108.3° | 108.4° |
| C15 | N3 | C6 | 125.3° | 126.0° |
| C15 | N3 | N4 | 126.2° | 126.0° |
| N3 | C15 | C17 | 111.1° | 109.5° |
| N3 | C15 | H3 | 109.1° | 109.5° |
| N3 | C15 | H4 | 109.1° | 109.4° |
| C6 | N3 | N4 | 108.6° | 108.0° |
| N3 | C6 | C7 | 106.3° | 107.8° |
| N3 | C6 | C18 | 125.5° | 126.1° |
| N3 | N4 | C11 | 109.1° | 108.2° |
| N4 | C11 | C7 | 106.5° | 108.2° |
| N4 | C11 | C19 | 125.6° | 125.9° |
| N5 | C9 | N16 | 119.1° | 120.0° |
| N5 | C9 | O14 | 122.4° | 120.0° |
| C9 | N5 | H11 | 115.6° | 120.0° |
| C7 | C6 | C18 | 128.2° | 126.1° |
| C6 | C7 | C11 | 109.5° | 107.9° |
| C6 | C7 | H1 | 125.2° | 126.1° |
| C6 | C18 | H14 | 109.5° | 109.5° |
| C6 | C18 | H15 | 109.5° | 109.5° |
| C6 | C18 | H16 | 109.5° | 109.5° |
| C7 | C11 | C19 | 127.9° | 125.9° |
| C11 | C7 | H1 | 125.3° | 126.0° |
| N8 | C12 | C10 | 109.1° | 108.5° |
| N8 | C12 | H12 | 125.4° | 125.7° |
| N16 | C9 | O14 | 118.5° | 120.0° |
| C9 | N16 | C17 | 118.9° | 120.0° |
| C9 | N16 | H13 | 120.5° | 120.0° |
| C12 | C10 | H2 | 126.1° | 126.0° |
| C10 | C12 | H12 | 125.4° | 125.8° |
| C11 | C19 | H17 | 109.5° | 109.5° |
| C11 | C19 | H18 | 109.5° | 109.4° |
| C11 | C19 | H19 | 109.5° | 109.5° |
| C20 | C13 | C21 | 119.1° | 119.9° |
| C13 | C20 | C23 | 120.1° | 119.9° |
| C13 | C20 | H7 | 119.9° | 120.1° |
| C13 | C21 | C22 | 120.4° | 119.9° |
| C13 | C21 | H8 | 119.8° | 120.1° |
| C15 | C17 | N16 | 106.0° | 109.5° |
| C17 | C15 | H3 | 109.1° | 109.5° |
| C17 | C15 | H4 | 109.1° | 109.5° |
| C15 | C17 | H5 | 110.3° | 109.5° |
| C15 | C17 | H6 | 110.3° | 109.5° |
| N16 | C17 | H5 | 110.4° | 109.4° |
| N16 | C17 | H6 | 110.3° | 109.5° |
| C17 | N16 | H13 | 120.5° | 120.0° |
| C20 | C23 | C24 | 119.9° | 120.1° |
| C23 | C20 | H7 | 120.0° | 120.0° |
| C20 | C23 | H20 | 120.0° | 120.0° |
| C21 | C22 | C24 | 120.0° | 120.0° |
| C22 | C21 | H8 | 119.8° | 120.0° |
| C21 | C22 | H9 | 120.0° | 120.0° |
| C22 | C24 | C23 | 120.5° | 120.1° |
| C24 | C22 | H9 | 120.0° | 120.0° |
| C22 | C24 | H10 | 119.8° | 120.0° |
| C23 | C24 | H10 | 119.7° | 119.9° |
| C24 | C23 | H20 | 120.1° | 119.9° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.4° |
| H14 | C18 | H16 | 109.4° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C1 | C10 | N2 | 179.5° | 179.9° |
| N5 | C1 | N2 | C13 | 1.0° | 0.0° |
| N5 | C1 | N2 | N8 | 179.7° | 179.9° |
| C1 | N5 | C9 | H11 | 180.0° | 179.9° |
| C1 | N5 | C9 | N16 | 179.4° | 179.9° |
| C1 | N5 | C9 | O14 | 1.5° | 0.0° |
| N5 | C1 | C10 | C12 | 180.0° | 180.0° |
| N5 | C1 | C10 | H2 | 0.0° | 0.4° |
| C10 | C1 | N2 | C13 | 179.5° | 179.9° |
| C10 | C1 | N2 | N8 | 0.8° | 0.0° |
| C10 | C1 | N5 | C9 | 33.8° | 0.1° |
| C1 | C10 | C12 | N8 | 0.0° | 0.1° |
| C1 | C10 | C12 | H2 | 180.0° | 179.6° |
| C10 | C1 | N5 | H11 | 146.2° | 180.0° |
| C1 | C10 | C12 | H12 | 180.0° | 179.8° |
| C1 | N2 | C13 | N8 | 178.5° | 179.9° |
| N2 | C1 | N5 | C9 | 146.8° | 180.0° |
| C1 | N2 | N8 | C12 | 0.8° | 0.0° |
| N2 | C1 | C10 | C12 | 0.5° | 0.1° |
| C1 | N2 | C13 | C20 | 135.9° | 145.0° |
| C1 | N2 | C13 | C21 | 42.9° | 35.3° |
| N2 | C1 | C10 | H2 | 179.5° | 179.7° |
| N2 | C1 | N5 | H11 | 33.2° | 0.1° |
| C13 | N2 | N8 | C12 | 179.5° | 180.0° |
| N2 | C13 | C20 | C21 | 178.8° | 179.7° |
| N2 | C13 | C20 | C23 | 179.0° | 179.7° |
| N2 | C13 | C21 | C22 | 179.1° | 179.8° |
| N2 | C13 | C20 | H7 | 1.0° | 0.3° |
| N2 | C13 | C21 | H8 | 0.9° | 0.3° |
| N2 | N8 | C12 | C10 | 0.5° | 0.1° |
| N8 | N2 | C13 | C20 | 42.5° | 35.1° |
| N8 | N2 | C13 | C21 | 138.7° | 144.7° |
| N2 | N8 | C12 | H12 | 179.5° | 179.8° |
| C15 | N3 | C6 | N4 | 179.1° | 179.8° |
| C15 | N3 | N4 | C11 | 179.9° | 179.8° |
| C15 | N3 | C6 | C7 | 179.8° | 180.0° |
| C15 | N3 | C6 | C18 | 1.5° | 0.0° |
| N3 | C15 | C17 | H3 | 120.2° | 120.1° |
| N3 | C15 | C17 | H4 | 120.3° | 120.0° |
| N3 | C15 | C17 | N16 | 176.0° | 180.0° |
| N3 | C15 | H3 | H4 | 119.3° | 120.0° |
| N3 | C15 | C17 | H5 | 64.5° | 60.0° |
| N3 | C15 | C17 | H6 | 56.6° | 60.0° |
| C6 | N3 | N4 | C11 | 0.9° | 0.4° |
| N3 | C6 | C7 | C18 | 178.2° | 179.9° |
| N3 | C6 | C7 | C11 | 1.1° | 0.1° |
| C6 | N3 | C15 | C17 | 107.6° | 90.0° |
| N3 | C6 | C7 | H1 | 179.0° | 180.0° |
| C6 | N3 | C15 | H3 | 12.7° | 150.0° |
| C6 | N3 | C15 | H4 | 132.2° | 30.0° |
| N3 | C6 | C18 | H14 | 89.0° | 90.0° |
| N3 | C6 | C18 | H15 | 151.0° | 150.0° |
| N3 | C6 | C18 | H16 | 31.0° | 29.9° |
| N4 | N3 | C6 | C7 | 1.2° | 0.2° |
| N4 | N3 | C6 | C18 | 179.4° | 179.7° |
| N3 | N4 | C11 | C7 | 0.2° | 0.4° |
| N3 | N4 | C11 | C19 | 179.8° | 179.9° |
| N4 | N3 | C15 | C17 | 73.5° | 89.7° |
| N4 | N3 | C15 | H3 | 166.2° | 30.3° |
| N4 | N3 | C15 | H4 | 46.7° | 150.3° |
| N4 | C11 | C7 | C6 | 0.5° | 0.3° |
| N4 | C11 | C7 | C19 | 179.6° | 179.7° |
| N4 | C11 | C7 | H1 | 179.5° | 179.7° |
| N4 | C11 | C19 | H17 | 0.0° | 90.3° |
| N4 | C11 | C19 | H18 | 120.0° | 29.7° |
| N4 | C11 | C19 | H19 | 120.0° | 149.7° |
| N5 | C9 | N16 | O14 | 179.1° | 179.9° |
| N5 | C9 | N16 | C17 | 179.6° | 180.0° |
| N5 | C9 | N16 | H13 | 0.4° | 0.0° |
| C6 | C7 | C11 | H1 | 180.0° | 180.0° |
| C6 | C7 | C11 | C19 | 179.1° | 180.0° |
| C7 | C6 | C18 | H14 | 88.9° | 90.1° |
| C7 | C6 | C18 | H15 | 31.1° | 29.9° |
| C7 | C6 | C18 | H16 | 151.1° | 149.9° |
| C18 | C6 | C7 | C11 | 179.3° | 180.0° |
| C18 | C6 | C7 | H1 | 0.8° | 0.1° |
| C6 | C18 | H14 | H15 | 120.0° | 120.0° |
| C6 | C18 | H14 | H16 | 120.0° | 120.0° |
| C6 | C18 | H15 | H16 | 120.0° | 120.0° |
| C7 | C11 | C19 | H17 | 179.6° | 90.1° |
| C7 | C11 | C19 | H18 | 59.5° | 149.9° |
| C7 | C11 | C19 | H19 | 60.5° | 30.0° |
| N8 | C12 | C10 | H12 | 180.0° | 179.9° |
| N8 | C12 | C10 | H2 | 180.0° | 179.7° |
| C9 | N16 | C17 | C15 | 75.6° | 180.0° |
| C9 | N16 | C17 | H13 | 180.0° | 179.9° |
| C9 | N16 | C17 | H5 | 164.9° | 60.1° |
| C9 | N16 | C17 | H6 | 43.8° | 59.9° |
| N16 | C9 | N5 | H11 | 0.6° | 0.0° |
| O14 | C9 | N16 | C17 | 0.5° | 0.1° |
| O14 | C9 | N5 | H11 | 178.5° | 179.9° |
| O14 | C9 | N16 | H13 | 179.5° | 180.0° |
| C19 | C11 | C7 | H1 | 0.9° | 0.0° |
| C11 | C19 | H17 | H18 | 120.0° | 120.0° |
| C11 | C19 | H17 | H19 | 120.0° | 120.0° |
| C11 | C19 | H18 | H19 | 120.0° | 120.0° |
| C13 | C20 | C23 | H7 | 180.0° | 180.0° |
| C20 | C13 | C21 | C22 | 0.3° | 0.0° |
| C13 | C20 | C23 | C24 | 0.4° | 0.0° |
| C20 | C13 | C21 | H8 | 179.7° | 179.9° |
| C13 | C20 | C23 | H20 | 179.6° | 180.0° |
| C21 | C13 | C20 | C23 | 0.1° | 0.0° |
| C13 | C21 | C22 | H8 | 180.0° | 179.9° |
| C13 | C21 | C22 | C24 | 0.0° | 0.0° |
| C21 | C13 | C20 | H7 | 179.9° | 180.0° |
| C13 | C21 | C22 | H9 | 179.9° | 180.0° |
| C15 | C17 | N16 | H5 | 119.4° | 119.9° |
| C15 | C17 | N16 | H6 | 119.4° | 120.0° |
| C17 | C15 | H3 | H4 | 119.3° | 120.0° |
| C15 | C17 | H5 | H6 | 121.6° | 120.0° |
| C15 | C17 | N16 | H13 | 104.4° | 0.0° |
| N16 | C17 | C15 | H3 | 55.8° | 60.0° |
| N16 | C17 | C15 | H4 | 63.7° | 60.0° |
| N16 | C17 | H5 | H6 | 121.6° | 120.0° |
| C20 | C23 | C24 | C22 | 0.8° | 0.1° |
| C20 | C23 | C24 | H20 | 180.0° | 179.9° |
| C20 | C23 | C24 | H10 | 179.2° | 180.0° |
| C21 | C22 | C24 | H9 | 180.0° | 179.9° |
| C21 | C22 | C24 | C23 | 0.6° | 0.0° |
| C21 | C22 | C24 | H10 | 179.4° | 180.0° |
| C22 | C24 | C23 | H10 | 180.0° | 179.9° |
| C24 | C22 | C21 | H8 | 179.9° | 179.9° |
| C22 | C24 | C23 | H20 | 179.2° | 180.0° |
| C24 | C23 | C20 | H7 | 179.6° | 179.9° |
| C23 | C24 | C22 | H9 | 179.4° | 179.9° |
| H2 | C10 | C12 | H12 | 0.0° | 0.1° |
| H3 | C15 | C17 | H5 | 175.3° | 179.9° |
| H3 | C15 | C17 | H6 | 63.6° | 60.1° |
| H4 | C15 | C17 | H5 | 55.8° | 59.9° |
| H4 | C15 | C17 | H6 | 176.9° | 180.0° |
| H5 | C17 | N16 | H13 | 15.0° | 120.0° |
| H6 | C17 | N16 | H13 | 136.2° | 120.0° |
| H7 | C20 | C23 | H20 | 0.4° | 0.0° |
| H8 | C21 | C22 | H9 | 0.1° | 0.1° |
| H9 | C22 | C24 | H10 | 0.7° | 0.0° |
| H10 | C24 | C23 | H20 | 0.8° | 0.1° |
| H14 | C18 | H15 | H16 | 120.0° | 120.0° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
