K6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.43Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | C4 | sing | 1.48Å | 1.53Å | |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | N6 | doub | 1.31Å | 1.35Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C8 | doub | 1.39Å | 1.44Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N7 | C9 | sing | 1.46Å | 1.50Å | |
| C8 | C10 | sing | 1.47Å | 1.58Å | |
| C10 | N11 | sing | 1.35Å | 1.42Å | |
| N11 | C12 | sing | 1.40Å | 1.46Å | |
| C12 | C13 | doub | 1.39Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | N15 | doub | 1.32Å | 1.39Å | Aromatic |
| C10 | O16 | doub | 1.22Å | 1.19Å | |
| N1 | C18 | sing | 1.48Å | 1.46Å | |
| C18 | C19 | sing | 1.54Å | 1.46Å | |
| N1 | C20 | sing | 1.48Å | 1.45Å | |
| C19 | C20 | sing | 1.54Å | 1.47Å | |
| C12 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| N15 | C22 | sing | 1.32Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | doub | 1.38Å | 1.46Å | Aromatic |
| C14 | N23 | sing | 1.39Å | 1.49Å | |
| N23 | C24 | sing | 1.35Å | 1.47Å | |
| C24 | N25 | sing | 1.35Å | 1.49Å | |
| C24 | S26 | doub | 1.71Å | 1.68Å | |
| N25 | C27 | sing | 1.35Å | 1.46Å | |
| C27 | O28 | sing | 1.35Å | 1.42Å | |
| C27 | O29 | doub | 1.21Å | 1.24Å | |
| O28 | C30 | sing | 1.45Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.58Å | |
| C13 | H37 | sing | 1.08Å | 1.08Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| C19 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C20 | H46 | sing | 1.09Å | 1.10Å | |
| C20 | H45 | sing | 1.09Å | 1.10Å | |
| C21 | H47 | sing | 1.08Å | 1.08Å | |
| C5 | H32 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| N11 | H36 | sing | 0.97Å | 1.00Å | |
| N23 | H48 | sing | 0.97Å | 1.00Å | |
| N25 | H49 | sing | 0.97Å | 1.00Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | O3 | 111.4° | 120.0° |
| N1 | C2 | C4 | 124.8° | 119.9° |
| C2 | N1 | C18 | 131.5° | 134.5° |
| C2 | N1 | C20 | 138.2° | 134.5° |
| O3 | C2 | C4 | 123.8° | 120.0° |
| C2 | C4 | C5 | 122.1° | 126.5° |
| C2 | C4 | C8 | 129.1° | 126.3° |
| C4 | C5 | N6 | 107.4° | 108.5° |
| C5 | C4 | C8 | 108.7° | 107.2° |
| C4 | C5 | H32 | 126.3° | 125.7° |
| C5 | N6 | N7 | 109.4° | 109.2° |
| N6 | C5 | H32 | 126.3° | 125.8° |
| N6 | N7 | C8 | 109.2° | 108.1° |
| N6 | N7 | C9 | 125.7° | 125.9° |
| C4 | C8 | N7 | 105.2° | 107.0° |
| C4 | C8 | C10 | 128.5° | 126.6° |
| C8 | N7 | C9 | 125.1° | 125.9° |
| N7 | C8 | C10 | 125.3° | 126.5° |
| N7 | C9 | H34 | 109.5° | 109.5° |
| N7 | C9 | H35 | 109.5° | 109.5° |
| N7 | C9 | H33 | 109.5° | 109.5° |
| C8 | C10 | N11 | 119.7° | 120.0° |
| C8 | C10 | O16 | 124.1° | 120.0° |
| C10 | N11 | C12 | 126.6° | 120.0° |
| N11 | C10 | O16 | 116.1° | 120.0° |
| C10 | N11 | H36 | 116.7° | 120.0° |
| N11 | C12 | C13 | 114.3° | 120.8° |
| N11 | C12 | C21 | 123.5° | 120.8° |
| C12 | N11 | H36 | 116.7° | 120.0° |
| C12 | C13 | C14 | 119.2° | 119.0° |
| C13 | C12 | C21 | 122.2° | 118.4° |
| C12 | C13 | H37 | 120.4° | 120.5° |
| C13 | C14 | N15 | 117.8° | 120.6° |
| C13 | C14 | N23 | 124.6° | 119.7° |
| C14 | C13 | H37 | 120.4° | 120.5° |
| C14 | N15 | C22 | 123.7° | 121.8° |
| N15 | C14 | N23 | 117.6° | 119.7° |
| N1 | C18 | C19 | 86.7° | 86.1° |
| C18 | N1 | C20 | 90.1° | 91.0° |
| N1 | C18 | H41 | 114.9° | 113.8° |
| N1 | C18 | H42 | 114.8° | 113.9° |
| C18 | C19 | C20 | 89.3° | 86.3° |
| C19 | C18 | H41 | 114.8° | 113.7° |
| C19 | C18 | H42 | 114.8° | 113.8° |
| C18 | C19 | H43 | 114.3° | 113.7° |
| C18 | C19 | H44 | 114.2° | 113.8° |
| N1 | C20 | C19 | 87.1° | 86.1° |
| N1 | C20 | H46 | 114.7° | 113.7° |
| N1 | C20 | H45 | 114.7° | 113.9° |
| C20 | C19 | H43 | 114.2° | 113.7° |
| C20 | C19 | H44 | 114.2° | 113.7° |
| C19 | C20 | H46 | 114.7° | 113.8° |
| C19 | C20 | H45 | 114.7° | 113.8° |
| C12 | C21 | C22 | 117.8° | 119.2° |
| C12 | C21 | H47 | 121.1° | 120.4° |
| N15 | C22 | C17 | 119.1° | 119.5° |
| N15 | C22 | C21 | 119.3° | 120.9° |
| C17 | C22 | C21 | 121.5° | 119.6° |
| C22 | C17 | H40 | 109.5° | 109.5° |
| C22 | C17 | H38 | 109.4° | 109.5° |
| C22 | C17 | H39 | 109.5° | 109.4° |
| C22 | C21 | H47 | 121.1° | 120.4° |
| C14 | N23 | C24 | 131.9° | 120.0° |
| C14 | N23 | H48 | 114.0° | 120.0° |
| N23 | C24 | N25 | 117.0° | 120.0° |
| N23 | C24 | S26 | 124.2° | 120.0° |
| C24 | N23 | H48 | 114.0° | 120.0° |
| N25 | C24 | S26 | 118.8° | 120.0° |
| C24 | N25 | C27 | 118.6° | 120.0° |
| C24 | N25 | H49 | 120.7° | 120.0° |
| N25 | C27 | O28 | 122.8° | 120.0° |
| N25 | C27 | O29 | 116.3° | 120.0° |
| C27 | N25 | H49 | 120.7° | 120.0° |
| O28 | C27 | O29 | 120.9° | 120.0° |
| C27 | O28 | C30 | 122.3° | 117.0° |
| O28 | C30 | C31 | 111.7° | 109.5° |
| O28 | C30 | H50 | 108.9° | 109.4° |
| O28 | C30 | H51 | 108.9° | 109.5° |
| C31 | C30 | H50 | 108.9° | 109.5° |
| C31 | C30 | H51 | 108.9° | 109.5° |
| C30 | C31 | H53 | 109.5° | 109.4° |
| C30 | C31 | H52 | 109.5° | 109.5° |
| C30 | C31 | H54 | 109.5° | 109.5° |
| H40 | C17 | H38 | 109.5° | 109.6° |
| H40 | C17 | H39 | 109.5° | 109.5° |
| H38 | C17 | H39 | 109.5° | 109.5° |
| H41 | C18 | H42 | 109.4° | 112.9° |
| H43 | C19 | H44 | 109.5° | 113.0° |
| H46 | C20 | H45 | 109.5° | 112.9° |
| H34 | C9 | H35 | 109.5° | 109.4° |
| H34 | C9 | H33 | 109.4° | 109.4° |
| H35 | C9 | H33 | 109.5° | 109.4° |
| H50 | C30 | H51 | 109.5° | 109.5° |
| H53 | C31 | H52 | 109.5° | 109.5° |
| H53 | C31 | H54 | 109.5° | 109.5° |
| H52 | C31 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | O3 | C4 | 177.7° | 179.9° |
| N1 | C2 | C4 | C5 | 38.0° | 0.1° |
| N1 | C2 | C4 | C8 | 140.3° | 179.7° |
| C2 | N1 | C18 | C20 | 176.9° | 180.0° |
| C2 | N1 | C18 | C19 | 157.3° | 155.3° |
| C2 | N1 | C20 | C19 | 157.0° | 155.3° |
| C2 | N1 | C18 | H41 | 86.8° | 41.0° |
| C2 | N1 | C18 | H42 | 41.4° | 90.4° |
| C2 | N1 | C20 | H46 | 41.0° | 90.4° |
| C2 | N1 | C20 | H45 | 87.1° | 41.0° |
| O3 | C2 | C4 | C5 | 144.6° | 180.0° |
| O3 | C2 | C4 | C8 | 37.0° | 0.3° |
| O3 | C2 | N1 | C18 | 0.7° | 0.0° |
| O3 | C2 | N1 | C20 | 176.0° | 180.0° |
| C2 | C4 | C5 | C8 | 178.6° | 179.7° |
| C2 | C4 | C5 | N6 | 178.8° | 179.9° |
| C2 | C4 | C8 | N7 | 179.0° | 179.9° |
| C2 | C4 | C8 | C10 | 9.9° | 0.0° |
| C4 | C2 | N1 | C18 | 177.0° | 180.0° |
| C4 | C2 | N1 | C20 | 1.6° | 0.1° |
| C2 | C4 | C5 | H32 | 1.2° | 0.1° |
| C4 | C5 | N6 | H32 | 180.0° | 180.0° |
| C4 | C5 | N6 | N7 | 1.7° | 0.0° |
| C5 | C4 | C8 | N7 | 2.5° | 0.4° |
| C5 | C4 | C8 | C10 | 171.7° | 179.7° |
| N6 | C5 | C4 | C8 | 2.6° | 0.2° |
| C5 | N6 | N7 | C8 | 0.1° | 0.2° |
| C5 | N6 | N7 | C9 | 178.6° | 180.0° |
| N6 | N7 | C8 | C4 | 1.5° | 0.4° |
| N6 | N7 | C8 | C9 | 178.7° | 179.8° |
| N6 | N7 | C8 | C10 | 171.1° | 179.7° |
| N7 | N6 | C5 | H32 | 178.3° | 180.0° |
| N6 | N7 | C9 | H34 | 0.0° | 85.3° |
| N6 | N7 | C9 | H35 | 120.0° | 154.7° |
| N6 | N7 | C9 | H33 | 120.0° | 34.7° |
| C4 | C8 | N7 | C10 | 169.6° | 179.9° |
| C4 | C8 | N7 | C9 | 179.8° | 179.9° |
| C4 | C8 | C10 | N11 | 23.4° | 92.7° |
| C4 | C8 | C10 | O16 | 159.0° | 87.0° |
| C8 | C4 | C5 | H32 | 177.4° | 179.8° |
| N7 | C8 | C10 | N11 | 143.7° | 87.3° |
| N7 | C8 | C10 | O16 | 33.8° | 92.9° |
| C8 | N7 | C9 | H34 | 178.5° | 94.4° |
| C8 | N7 | C9 | H35 | 58.5° | 25.5° |
| C8 | N7 | C9 | H33 | 61.5° | 145.5° |
| C9 | N7 | C8 | C10 | 10.2° | 0.1° |
| N7 | C9 | H34 | H35 | 120.0° | 120.0° |
| N7 | C9 | H34 | H33 | 120.0° | 120.0° |
| N7 | C9 | H35 | H33 | 120.0° | 120.0° |
| C8 | C10 | N11 | O16 | 177.8° | 179.7° |
| C8 | C10 | N11 | C12 | 179.9° | 173.5° |
| C8 | C10 | N11 | H36 | 0.1° | 6.5° |
| C10 | N11 | C12 | H36 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 177.5° | 24.8° |
| C10 | N11 | C12 | C21 | 1.7° | 155.2° |
| N11 | C12 | C13 | C21 | 179.2° | 180.0° |
| N11 | C12 | C13 | C14 | 179.6° | 180.0° |
| C12 | N11 | C10 | O16 | 2.2° | 6.3° |
| N11 | C12 | C21 | C22 | 179.9° | 179.4° |
| N11 | C12 | C13 | H37 | 0.4° | 0.3° |
| N11 | C12 | C21 | H47 | 0.2° | 0.3° |
| C12 | C13 | C14 | H37 | 180.0° | 179.7° |
| C12 | C13 | C14 | N15 | 0.9° | 0.3° |
| C13 | C12 | C21 | C22 | 1.1° | 0.6° |
| C12 | C13 | C14 | N23 | 179.6° | 179.7° |
| C13 | C12 | C21 | H47 | 178.9° | 179.7° |
| C13 | C12 | N11 | H36 | 2.5° | 155.3° |
| C13 | C14 | N15 | N23 | 178.8° | 180.0° |
| C14 | C13 | C12 | C21 | 1.2° | 0.0° |
| C13 | C14 | N15 | C22 | 0.5° | 0.0° |
| C13 | C14 | N23 | C24 | 25.6° | 169.3° |
| C13 | C14 | N23 | H48 | 154.4° | 10.7° |
| C14 | N15 | C22 | C17 | 179.5° | 179.4° |
| C14 | N15 | C22 | C21 | 0.3° | 0.6° |
| N15 | C14 | N23 | C24 | 155.7° | 10.6° |
| N15 | C14 | C13 | H37 | 179.1° | 180.0° |
| N15 | C14 | N23 | H48 | 24.3° | 169.3° |
| O16 | C10 | N11 | H36 | 177.8° | 173.8° |
| N1 | C18 | C19 | H41 | 115.9° | 114.3° |
| N1 | C18 | C19 | H42 | 115.9° | 114.4° |
| C18 | N1 | C20 | C19 | 19.5° | 24.6° |
| N1 | C18 | H41 | H42 | 130.9° | 131.9° |
| N1 | C18 | C19 | H43 | 135.8° | 137.9° |
| N1 | C18 | C19 | H44 | 97.1° | 90.7° |
| C18 | N1 | C20 | H46 | 135.5° | 89.7° |
| C18 | N1 | C20 | H45 | 96.4° | 139.0° |
| C18 | C19 | C20 | H43 | 116.5° | 114.3° |
| C18 | C19 | C20 | H44 | 116.4° | 114.4° |
| C19 | C18 | H41 | H42 | 130.9° | 131.7° |
| C18 | C19 | H43 | H44 | 129.6° | 131.7° |
| C18 | C19 | C20 | H46 | 135.5° | 90.7° |
| C18 | C19 | C20 | H45 | 96.4° | 138.1° |
| N1 | C20 | C19 | H46 | 116.0° | 114.3° |
| N1 | C20 | C19 | H45 | 116.0° | 114.5° |
| C20 | N1 | C18 | H41 | 96.3° | 138.9° |
| C20 | N1 | C18 | H42 | 135.5° | 89.7° |
| N1 | C20 | C19 | H43 | 136.0° | 137.9° |
| N1 | C20 | C19 | H44 | 96.9° | 90.8° |
| N1 | C20 | H46 | H45 | 130.7° | 131.8° |
| C20 | C19 | C18 | H41 | 96.6° | 137.9° |
| C20 | C19 | C18 | H42 | 135.2° | 90.8° |
| C20 | C19 | H43 | H44 | 129.6° | 131.7° |
| C19 | C20 | H46 | H45 | 130.7° | 131.7° |
| C12 | C21 | C22 | N15 | 0.6° | 0.9° |
| C12 | C21 | C22 | C17 | 179.7° | 179.1° |
| C12 | C21 | C22 | H47 | 180.0° | 179.1° |
| C21 | C12 | C13 | H37 | 178.8° | 179.7° |
| C21 | C12 | N11 | H36 | 178.4° | 24.7° |
| N15 | C22 | C17 | C21 | 179.1° | 180.0° |
| C22 | N15 | C14 | N23 | 179.3° | 180.0° |
| N15 | C22 | C17 | H40 | 0.0° | 90.1° |
| N15 | C22 | C17 | H38 | 120.0° | 30.0° |
| N15 | C22 | C17 | H39 | 120.0° | 150.0° |
| N15 | C22 | C21 | H47 | 179.4° | 180.0° |
| C22 | C17 | H40 | H38 | 120.0° | 120.0° |
| C22 | C17 | H40 | H39 | 120.0° | 119.9° |
| C22 | C17 | H38 | H39 | 120.0° | 119.9° |
| C17 | C22 | C21 | H47 | 0.3° | 0.0° |
| C21 | C22 | C17 | H40 | 179.1° | 89.9° |
| C21 | C22 | C17 | H38 | 60.9° | 150.0° |
| C21 | C22 | C17 | H39 | 59.1° | 30.0° |
| C14 | N23 | C24 | H48 | 180.0° | 180.0° |
| C14 | N23 | C24 | N25 | 180.0° | 172.6° |
| C14 | N23 | C24 | S26 | 1.3° | 7.4° |
| N23 | C14 | C13 | H37 | 0.4° | 0.0° |
| N23 | C24 | N25 | S26 | 178.8° | 180.0° |
| N23 | C24 | N25 | C27 | 31.1° | 179.9° |
| N23 | C24 | N25 | H49 | 148.9° | 0.0° |
| C24 | N25 | C27 | H49 | 180.0° | 179.9° |
| C24 | N25 | C27 | O28 | 149.1° | 180.0° |
| C24 | N25 | C27 | O29 | 30.8° | 0.0° |
| N25 | C24 | N23 | H48 | 0.0° | 7.3° |
| S26 | C24 | N25 | C27 | 147.7° | 0.0° |
| S26 | C24 | N23 | H48 | 178.8° | 172.7° |
| S26 | C24 | N25 | H49 | 32.3° | 180.0° |
| N25 | C27 | O28 | O29 | 179.9° | 180.0° |
| N25 | C27 | O28 | C30 | 82.5° | 180.0° |
| C27 | O28 | C30 | C31 | 137.8° | 180.0° |
| O28 | C27 | N25 | H49 | 30.9° | 0.1° |
| C27 | O28 | C30 | H50 | 101.9° | 60.0° |
| C27 | O28 | C30 | H51 | 17.4° | 59.9° |
| O29 | C27 | O28 | C30 | 97.4° | 0.0° |
| O29 | C27 | N25 | H49 | 149.2° | 180.0° |
| O28 | C30 | C31 | H50 | 120.3° | 120.0° |
| O28 | C30 | C31 | H51 | 120.3° | 120.0° |
| O28 | C30 | H50 | H51 | 119.0° | 120.0° |
| O28 | C30 | C31 | H53 | 180.0° | 180.0° |
| O28 | C30 | C31 | H52 | 60.0° | 60.0° |
| O28 | C30 | C31 | H54 | 60.0° | 60.0° |
| C31 | C30 | H50 | H51 | 119.0° | 120.0° |
| C30 | C31 | H53 | H52 | 120.0° | 120.0° |
| C30 | C31 | H53 | H54 | 120.0° | 120.0° |
| C30 | C31 | H52 | H54 | 120.0° | 120.0° |
| H40 | C17 | H38 | H39 | 120.0° | 120.0° |
| H41 | C18 | C19 | H43 | 19.8° | 107.8° |
| H41 | C18 | C19 | H44 | 147.0° | 23.6° |
| H42 | C18 | C19 | H43 | 108.4° | 23.5° |
| H42 | C18 | C19 | H44 | 18.8° | 154.8° |
| H43 | C19 | C20 | H46 | 108.1° | 23.6° |
| H43 | C19 | C20 | H45 | 20.0° | 107.6° |
| H44 | C19 | C20 | H46 | 19.1° | 155.0° |
| H44 | C19 | C20 | H45 | 147.1° | 23.7° |
| H34 | C9 | H35 | H33 | 120.0° | 119.9° |
| H50 | C30 | C31 | H53 | 59.7° | 60.0° |
| H50 | C30 | C31 | H52 | 179.7° | 180.0° |
| H50 | C30 | C31 | H54 | 60.4° | 60.0° |
| H51 | C30 | C31 | H53 | 59.7° | 60.0° |
| H51 | C30 | C31 | H52 | 60.3° | 60.0° |
| H51 | C30 | C31 | H54 | 179.7° | 180.0° |
| H53 | C31 | H52 | H54 | 120.0° | 120.0° |
