K2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C23 | sing | 1.55Å | 1.49Å | |
| C1 | C24 | sing | 1.51Å | 1.49Å | |
| N2 | C6 | sing | 1.40Å | 1.39Å | |
| N2 | C22 | sing | 1.47Å | 1.40Å | |
| N2 | C24 | sing | 1.34Å | 1.43Å | |
| C3 | C11 | sing | 1.51Å | 1.46Å | |
| C3 | N18 | sing | 1.33Å | 1.36Å | Aromatic |
| C3 | N19 | doub | 1.31Å | 1.30Å | Aromatic |
| C4 | N5 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | N8 | sing | 1.35Å | 1.39Å | Aromatic |
| C4 | C10 | sing | 1.51Å | 1.49Å | |
| N5 | C6 | sing | 1.34Å | 1.33Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.35Å | Aromatic |
| C7 | N8 | sing | 1.37Å | 1.38Å | Aromatic |
| N8 | C9 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.59Å | |
| N12 | C13 | sing | 1.33Å | 1.35Å | Aromatic |
| N12 | C15 | doub | 1.31Å | 1.35Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.32Å | Aromatic |
| C14 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C20 | sing | 1.51Å | 1.55Å | |
| C15 | N16 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C21 | sing | 1.51Å | 1.51Å | |
| N16 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| N16 | N19 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.30Å | Aromatic |
| C22 | C23 | sing | 1.54Å | 1.58Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å | |
| C13 | H36 | sing | 1.08Å | 1.08Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C1 | C24 | 104.3° | 104.2° |
| C1 | C23 | C22 | 106.2° | 101.8° |
| C1 | C23 | H46 | 110.3° | 111.0° |
| C1 | C23 | H45 | 110.3° | 111.0° |
| C23 | C1 | H26 | 110.7° | 110.5° |
| C23 | C1 | H27 | 110.8° | 110.5° |
| C1 | C24 | N2 | 109.2° | 110.1° |
| C1 | C24 | O25 | 130.3° | 124.9° |
| C24 | C1 | H26 | 110.7° | 110.5° |
| C24 | C1 | H27 | 110.7° | 110.5° |
| C6 | N2 | C22 | 126.2° | 124.4° |
| C6 | N2 | C24 | 121.7° | 124.3° |
| N2 | C6 | N5 | 121.7° | 126.1° |
| N2 | C6 | C7 | 124.3° | 126.0° |
| C22 | N2 | C24 | 112.1° | 111.3° |
| N2 | C22 | C23 | 104.4° | 105.5° |
| N2 | C22 | H43 | 110.7° | 110.3° |
| N2 | C22 | H44 | 110.7° | 110.3° |
| N2 | C24 | O25 | 120.5° | 125.0° |
| C11 | C3 | N18 | 119.2° | 125.1° |
| C11 | C3 | N19 | 125.5° | 125.2° |
| C3 | C11 | C10 | 105.7° | 109.5° |
| C3 | C11 | H34 | 110.4° | 109.5° |
| C3 | C11 | H35 | 110.4° | 109.5° |
| N18 | C3 | N19 | 115.2° | 109.7° |
| C3 | N18 | C17 | 106.7° | 109.7° |
| C3 | N19 | N16 | 100.9° | 107.1° |
| N5 | C4 | N8 | 110.9° | 108.9° |
| N5 | C4 | C10 | 123.9° | 125.5° |
| C4 | N5 | C6 | 104.7° | 109.3° |
| N8 | C4 | C10 | 125.1° | 125.6° |
| C4 | N8 | C7 | 106.5° | 107.2° |
| C4 | N8 | C9 | 127.2° | 126.4° |
| C4 | C10 | C11 | 107.1° | 109.4° |
| C4 | C10 | H32 | 110.1° | 109.5° |
| C4 | C10 | H33 | 110.1° | 109.4° |
| N5 | C6 | C7 | 114.0° | 107.9° |
| C6 | C7 | N8 | 103.9° | 106.7° |
| C6 | C7 | H28 | 128.1° | 126.6° |
| C7 | N8 | C9 | 126.3° | 126.4° |
| N8 | C7 | H28 | 128.0° | 126.7° |
| N8 | C9 | H30 | 109.5° | 109.5° |
| N8 | C9 | H29 | 109.5° | 109.5° |
| N8 | C9 | H31 | 109.5° | 109.5° |
| C11 | C10 | H32 | 110.1° | 109.5° |
| C11 | C10 | H33 | 110.1° | 109.5° |
| C10 | C11 | H34 | 110.4° | 109.5° |
| C10 | C11 | H35 | 110.4° | 109.5° |
| C13 | N12 | C15 | 119.3° | 121.9° |
| N12 | C13 | C14 | 125.7° | 120.4° |
| N12 | C13 | H36 | 117.2° | 119.8° |
| N12 | C15 | N16 | 119.5° | 121.0° |
| N12 | C15 | C21 | 121.5° | 119.5° |
| C13 | C14 | C17 | 115.6° | 118.4° |
| C13 | C14 | C20 | 122.2° | 120.8° |
| C14 | C13 | H36 | 117.1° | 119.8° |
| C17 | C14 | C20 | 122.2° | 120.8° |
| C14 | C17 | N16 | 120.8° | 118.5° |
| C14 | C17 | N18 | 132.9° | 134.1° |
| C14 | C20 | H38 | 109.5° | 109.5° |
| C14 | C20 | H37 | 109.4° | 109.5° |
| C14 | C20 | H39 | 109.5° | 109.4° |
| N16 | C15 | C21 | 118.9° | 119.5° |
| C15 | N16 | C17 | 119.0° | 119.7° |
| C15 | N16 | N19 | 130.2° | 134.2° |
| C15 | C21 | H41 | 109.5° | 109.5° |
| C15 | C21 | H42 | 109.5° | 109.4° |
| C15 | C21 | H40 | 109.5° | 109.4° |
| C17 | N16 | N19 | 110.8° | 106.1° |
| N16 | C17 | N18 | 106.3° | 107.4° |
| C23 | C22 | H43 | 110.7° | 110.2° |
| C23 | C22 | H44 | 110.7° | 110.2° |
| C22 | C23 | H46 | 110.3° | 111.0° |
| C22 | C23 | H45 | 110.3° | 111.0° |
| H32 | C10 | H33 | 109.5° | 109.5° |
| H34 | C11 | H35 | 109.4° | 109.5° |
| H38 | C20 | H37 | 109.4° | 109.5° |
| H38 | C20 | H39 | 109.5° | 109.4° |
| H37 | C20 | H39 | 109.5° | 109.5° |
| H41 | C21 | H42 | 109.5° | 109.5° |
| H41 | C21 | H40 | 109.5° | 109.5° |
| H42 | C21 | H40 | 109.4° | 109.5° |
| H43 | C22 | H44 | 109.5° | 110.3° |
| H46 | C23 | H45 | 109.5° | 110.8° |
| H26 | C1 | H27 | 109.5° | 110.5° |
| H30 | C9 | H29 | 109.5° | 109.5° |
| H30 | C9 | H31 | 109.5° | 109.5° |
| H29 | C9 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C1 | C24 | H26 | 119.2° | 118.7° |
| C23 | C1 | C24 | H27 | 119.2° | 118.7° |
| C1 | C23 | C22 | N2 | 18.6° | 25.4° |
| C23 | C1 | C24 | N2 | 13.0° | 16.2° |
| C1 | C23 | C22 | H46 | 119.5° | 118.1° |
| C1 | C23 | C22 | H45 | 119.5° | 118.2° |
| C23 | C1 | C24 | O25 | 167.6° | 163.7° |
| C1 | C23 | C22 | H43 | 137.8° | 93.6° |
| C1 | C23 | C22 | H44 | 100.5° | 144.5° |
| C1 | C23 | H46 | H45 | 121.5° | 123.8° |
| C23 | C1 | H26 | H27 | 122.4° | 122.6° |
| C1 | C24 | N2 | C6 | 179.4° | 179.6° |
| C1 | C24 | N2 | C22 | 1.0° | 0.5° |
| C1 | C24 | N2 | O25 | 179.5° | 179.9° |
| C24 | C1 | C23 | C22 | 18.9° | 24.8° |
| C24 | C1 | C23 | H46 | 138.3° | 93.3° |
| C24 | C1 | C23 | H45 | 100.6° | 143.0° |
| C24 | C1 | H26 | H27 | 122.4° | 122.6° |
| C6 | N2 | C22 | C24 | 178.4° | 179.9° |
| N2 | C6 | N5 | C4 | 177.7° | 180.0° |
| N2 | C6 | N5 | C7 | 177.7° | 180.0° |
| N2 | C6 | C7 | N8 | 177.1° | 180.0° |
| C6 | N2 | C22 | C23 | 167.6° | 163.0° |
| C6 | N2 | C24 | O25 | 1.0° | 0.3° |
| C6 | N2 | C22 | H43 | 48.4° | 78.0° |
| C6 | N2 | C22 | H44 | 73.2° | 44.0° |
| N2 | C6 | C7 | H28 | 2.9° | 0.0° |
| C22 | N2 | C6 | N5 | 4.4° | 174.9° |
| C22 | N2 | C6 | C7 | 178.1° | 5.1° |
| N2 | C22 | C23 | H43 | 119.2° | 119.0° |
| N2 | C22 | C23 | H44 | 119.2° | 119.0° |
| C22 | N2 | C24 | O25 | 179.5° | 179.6° |
| N2 | C22 | H43 | H44 | 122.3° | 122.1° |
| N2 | C22 | C23 | H46 | 138.1° | 92.7° |
| N2 | C22 | C23 | H45 | 100.9° | 143.6° |
| C24 | N2 | C6 | N5 | 173.8° | 5.0° |
| C24 | N2 | C6 | C7 | 3.6° | 175.0° |
| C24 | N2 | C22 | C23 | 10.8° | 17.1° |
| C24 | N2 | C22 | H43 | 130.0° | 101.9° |
| C24 | N2 | C22 | H44 | 108.4° | 136.0° |
| N2 | C24 | C1 | H26 | 132.1° | 134.9° |
| N2 | C24 | C1 | H27 | 106.2° | 102.5° |
| C11 | C3 | N18 | N19 | 177.6° | 179.0° |
| C3 | C11 | C10 | C4 | 175.7° | 180.0° |
| C3 | C11 | C10 | H34 | 119.4° | 120.0° |
| C3 | C11 | C10 | H35 | 119.4° | 120.0° |
| C11 | C3 | N19 | N16 | 176.5° | 179.9° |
| C11 | C3 | N18 | C17 | 175.4° | 180.0° |
| C3 | C11 | C10 | H32 | 64.7° | 60.1° |
| C3 | C11 | C10 | H33 | 56.0° | 60.0° |
| C3 | C11 | H34 | H35 | 121.7° | 120.0° |
| N18 | C3 | C11 | C10 | 111.1° | 90.0° |
| C3 | N18 | C17 | C14 | 176.2° | 179.9° |
| C3 | N18 | C17 | N16 | 2.4° | 0.5° |
| N18 | C3 | N19 | N16 | 0.9° | 1.0° |
| N18 | C3 | C11 | H34 | 129.4° | 30.0° |
| N18 | C3 | C11 | H35 | 8.3° | 150.0° |
| N19 | C3 | C11 | C10 | 71.6° | 91.1° |
| C3 | N19 | N16 | C15 | 178.9° | 179.4° |
| C3 | N19 | N16 | C17 | 0.7° | 0.7° |
| N19 | C3 | N18 | C17 | 2.2° | 1.0° |
| N19 | C3 | C11 | H34 | 47.9° | 148.9° |
| N19 | C3 | C11 | H35 | 169.0° | 28.9° |
| N5 | C4 | N8 | C10 | 176.8° | 179.7° |
| C4 | N5 | C6 | C7 | 0.0° | 0.0° |
| N5 | C4 | N8 | C7 | 0.9° | 0.0° |
| N5 | C4 | N8 | C9 | 177.4° | 180.0° |
| N5 | C4 | C10 | C11 | 68.4° | 90.0° |
| N5 | C4 | C10 | H32 | 51.3° | 29.9° |
| N5 | C4 | C10 | H33 | 172.0° | 150.0° |
| N8 | C4 | N5 | C6 | 0.5° | 0.0° |
| C4 | N8 | C7 | C6 | 0.8° | 0.0° |
| C4 | N8 | C7 | C9 | 178.4° | 179.9° |
| N8 | C4 | C10 | C11 | 108.0° | 90.3° |
| N8 | C4 | C10 | H32 | 132.4° | 149.7° |
| N8 | C4 | C10 | H33 | 11.6° | 29.7° |
| C4 | N8 | C7 | H28 | 179.2° | 180.0° |
| C4 | N8 | C9 | H30 | 180.0° | 90.0° |
| C4 | N8 | C9 | H29 | 60.0° | 150.0° |
| C4 | N8 | C9 | H31 | 60.0° | 30.1° |
| C10 | C4 | N5 | C6 | 176.3° | 179.7° |
| C10 | C4 | N8 | C7 | 175.9° | 179.7° |
| C10 | C4 | N8 | C9 | 5.8° | 0.3° |
| C4 | C10 | C11 | H32 | 119.6° | 120.0° |
| C4 | C10 | C11 | H33 | 119.6° | 119.9° |
| C4 | C10 | H32 | H33 | 121.1° | 120.0° |
| C4 | C10 | C11 | H34 | 64.9° | 60.0° |
| C4 | C10 | C11 | H35 | 56.2° | 60.0° |
| N5 | C6 | C7 | N8 | 0.5° | 0.0° |
| N5 | C6 | C7 | H28 | 179.5° | 180.0° |
| C6 | C7 | N8 | H28 | 180.0° | 180.0° |
| C6 | C7 | N8 | C9 | 177.5° | 179.9° |
| C7 | N8 | C9 | H30 | 2.0° | 90.0° |
| C7 | N8 | C9 | H29 | 122.0° | 29.9° |
| C7 | N8 | C9 | H31 | 118.0° | 149.9° |
| C9 | N8 | C7 | H28 | 2.5° | 0.1° |
| N8 | C9 | H30 | H29 | 120.0° | 120.0° |
| N8 | C9 | H30 | H31 | 120.0° | 120.1° |
| N8 | C9 | H29 | H31 | 120.0° | 120.0° |
| C11 | C10 | H32 | H33 | 121.1° | 120.1° |
| C10 | C11 | H34 | H35 | 121.7° | 120.0° |
| N12 | C13 | C14 | H36 | 180.0° | 179.7° |
| N12 | C13 | C14 | C17 | 0.0° | 0.4° |
| N12 | C13 | C14 | C20 | 177.9° | 179.7° |
| C13 | N12 | C15 | N16 | 1.8° | 0.1° |
| C13 | N12 | C15 | C21 | 174.5° | 179.8° |
| C15 | N12 | C13 | C14 | 2.5° | 0.0° |
| N12 | C15 | N16 | C21 | 176.4° | 179.8° |
| N12 | C15 | N16 | C17 | 1.1° | 0.2° |
| N12 | C15 | N16 | N19 | 179.4° | 179.7° |
| C15 | N12 | C13 | H36 | 177.5° | 179.7° |
| N12 | C15 | C21 | H41 | 0.0° | 90.3° |
| N12 | C15 | C21 | H42 | 120.0° | 29.8° |
| N12 | C15 | C21 | H40 | 120.0° | 149.7° |
| C13 | C14 | C17 | C20 | 177.9° | 179.9° |
| C13 | C14 | C17 | N16 | 3.0° | 0.6° |
| C13 | C14 | C17 | N18 | 178.6° | 180.0° |
| C13 | C14 | C20 | H38 | 88.9° | 0.1° |
| C13 | C14 | C20 | H37 | 151.1° | 120.0° |
| C13 | C14 | C20 | H39 | 31.2° | 120.0° |
| C14 | C17 | N16 | C15 | 3.5° | 0.5° |
| C14 | C17 | N16 | N18 | 178.8° | 179.5° |
| C14 | C17 | N16 | N19 | 176.8° | 179.4° |
| C17 | C14 | C13 | H36 | 180.0° | 180.0° |
| C17 | C14 | C20 | H38 | 88.9° | 180.0° |
| C17 | C14 | C20 | H37 | 31.1° | 60.0° |
| C17 | C14 | C20 | H39 | 151.1° | 60.1° |
| C20 | C14 | C17 | N16 | 179.1° | 179.5° |
| C20 | C14 | C17 | N18 | 0.7° | 0.1° |
| C20 | C14 | C13 | H36 | 2.1° | 0.0° |
| C14 | C20 | H38 | H37 | 120.0° | 120.0° |
| C14 | C20 | H38 | H39 | 120.0° | 120.0° |
| C14 | C20 | H37 | H39 | 120.0° | 120.0° |
| C15 | N16 | C17 | N19 | 179.7° | 179.9° |
| C15 | N16 | C17 | N18 | 177.6° | 179.9° |
| N16 | C15 | C21 | H41 | 176.3° | 89.9° |
| N16 | C15 | C21 | H42 | 56.3° | 150.0° |
| N16 | C15 | C21 | H40 | 63.7° | 30.1° |
| C21 | C15 | N16 | C17 | 177.4° | 180.0° |
| C21 | C15 | N16 | N19 | 3.0° | 0.1° |
| C15 | C21 | H41 | H42 | 120.0° | 120.0° |
| C15 | C21 | H41 | H40 | 120.0° | 120.0° |
| C15 | C21 | H42 | H40 | 120.0° | 119.9° |
| N19 | N16 | C17 | N18 | 2.0° | 0.1° |
| C23 | C22 | H43 | H44 | 122.4° | 121.9° |
| C22 | C23 | H46 | H45 | 121.5° | 123.8° |
| C22 | C23 | C1 | H26 | 138.0° | 143.5° |
| C22 | C23 | C1 | H27 | 100.3° | 93.9° |
| O25 | C24 | C1 | H26 | 48.4° | 45.0° |
| O25 | C24 | C1 | H27 | 73.2° | 77.6° |
| H32 | C10 | C11 | H34 | 54.7° | 60.0° |
| H32 | C10 | C11 | H35 | 175.9° | 180.0° |
| H33 | C10 | C11 | H34 | 175.5° | 179.9° |
| H33 | C10 | C11 | H35 | 63.4° | 60.0° |
| H38 | C20 | H37 | H39 | 120.0° | 120.0° |
| H41 | C21 | H42 | H40 | 120.0° | 120.1° |
| H43 | C22 | C23 | H46 | 102.7° | 148.3° |
| H43 | C22 | C23 | H45 | 18.3° | 24.6° |
| H44 | C22 | C23 | H46 | 19.0° | 26.4° |
| H44 | C22 | C23 | H45 | 140.0° | 97.3° |
| H46 | C23 | C1 | H26 | 102.5° | 25.4° |
| H46 | C23 | C1 | H27 | 19.2° | 148.0° |
| H45 | C23 | C1 | H26 | 18.5° | 98.3° |
| H45 | C23 | C1 | H27 | 140.2° | 24.3° |
| H30 | C9 | H29 | H31 | 120.0° | 120.0° |
