K05
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C11 | doub | 1.30Å | 1.37Å | |
| N1 | N2 | sing | 1.35Å | 1.29Å | |
| N2 | C3 | sing | 1.38Å | 1.49Å | |
| N2 | HN2 | sing | 1.02Å | 1.00Å | |
| C3 | O3 | doub | 1.23Å | 1.51Å | |
| C3 | C1' | sing | 1.49Å | 1.46Å | |
| C1' | C2' | doub | 1.38Å | 1.49Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.48Å | Aromatic |
| C2' | C3' | sing | 1.39Å | 1.49Å | Aromatic |
| C2' | H2' | sing | 1.09Å | 1.08Å | |
| C3' | OH4 | sing | 1.36Å | 1.36Å | |
| C3' | C4' | doub | 1.40Å | 1.44Å | Aromatic |
| C4' | C5' | sing | 1.39Å | 1.47Å | Aromatic |
| C4' | OH3 | sing | 1.36Å | 1.37Å | |
| C5' | C6' | doub | 1.40Å | 1.44Å | Aromatic |
| C5' | H5' | sing | 1.09Å | 1.08Å | |
| C6' | H6' | sing | 1.09Å | 1.08Å | |
| OH3 | HOH3 | sing | 0.97Å | 0.95Å | |
| OH4 | HOH4 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.46Å | 1.46Å | |
| C11 | H112 | sing | 1.11Å | 1.10Å | |
| C12 | C13 | doub | 1.39Å | 1.52Å | Aromatic |
| C12 | C29 | sing | 1.40Å | 1.47Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.52Å | Aromatic |
| C13 | O13 | sing | 1.36Å | 1.39Å | |
| O13 | C10 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C25 | sing | 1.40Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C25 | C16 | doub | 1.40Å | 1.48Å | Aromatic |
| C25 | C29 | sing | 1.42Å | 1.57Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.46Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.47Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.46Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | C29 | doub | 1.40Å | 1.45Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N1 | N2 | 114.5° | 114.4° |
| N1 | C11 | C12 | 124.7° | 122.4° |
| N1 | C11 | H112 | 101.1° | 120.7° |
| N1 | N2 | C3 | 120.6° | 118.5° |
| N1 | N2 | HN2 | 119.7° | 117.7° |
| C3 | N2 | HN2 | 119.7° | 123.7° |
| N2 | C3 | O3 | 120.3° | 124.8° |
| N2 | C3 | C1' | 119.1° | 115.8° |
| O3 | C3 | C1' | 120.6° | 119.4° |
| C3 | C1' | C2' | 123.9° | 118.8° |
| C3 | C1' | C6' | 118.5° | 118.9° |
| C2' | C1' | C6' | 117.6° | 122.3° |
| C1' | C2' | C3' | 118.7° | 118.9° |
| C1' | C2' | H2' | 120.7° | 121.4° |
| C1' | C6' | C5' | 123.2° | 118.9° |
| C1' | C6' | H6' | 118.4° | 121.8° |
| C3' | C2' | H2' | 120.7° | 119.7° |
| C2' | C3' | OH4 | 122.6° | 119.5° |
| C2' | C3' | C4' | 121.6° | 120.0° |
| OH4 | C3' | C4' | 115.9° | 120.5° |
| C3' | OH4 | HOH4 | 109.5° | 110.3° |
| C3' | C4' | C5' | 120.2° | 120.0° |
| C3' | C4' | OH3 | 117.6° | 120.6° |
| C5' | C4' | OH3 | 122.2° | 119.4° |
| C4' | C5' | C6' | 118.8° | 120.0° |
| C4' | C5' | H5' | 120.6° | 120.4° |
| C4' | OH3 | HOH3 | 109.5° | 110.2° |
| C6' | C5' | H5' | 120.6° | 119.7° |
| C5' | C6' | H6' | 118.4° | 119.3° |
| C12 | C11 | H112 | 101.1° | 116.9° |
| C11 | C12 | C13 | 114.7° | 117.8° |
| C11 | C12 | C29 | 126.0° | 121.5° |
| C13 | C12 | C29 | 119.3° | 120.7° |
| C12 | C13 | C14 | 119.4° | 120.1° |
| C12 | C13 | O13 | 115.9° | 121.1° |
| C12 | C29 | C25 | 118.1° | 119.3° |
| C12 | C29 | C19 | 123.4° | 121.5° |
| C14 | C13 | O13 | 124.6° | 118.8° |
| C13 | C14 | C15 | 121.8° | 120.0° |
| C13 | C14 | H14 | 119.1° | 120.4° |
| C13 | O13 | C10 | 124.2° | 117.0° |
| O13 | C10 | H101 | 109.5° | 109.5° |
| O13 | C10 | H102 | 109.5° | 109.5° |
| O13 | C10 | H103 | 109.5° | 109.0° |
| C15 | C14 | H14 | 119.1° | 119.5° |
| C14 | C15 | C25 | 120.1° | 120.7° |
| C14 | C15 | H15 | 120.0° | 118.8° |
| C25 | C15 | H15 | 119.9° | 120.6° |
| C15 | C25 | C16 | 119.1° | 121.4° |
| C15 | C25 | C29 | 121.2° | 119.3° |
| C16 | C25 | C29 | 119.7° | 119.3° |
| C25 | C16 | C17 | 119.7° | 120.7° |
| C25 | C16 | H16 | 120.1° | 120.5° |
| C25 | C29 | C19 | 118.5° | 119.3° |
| C17 | C16 | H16 | 120.2° | 118.8° |
| C16 | C17 | C18 | 119.1° | 120.0° |
| C16 | C17 | H17 | 120.5° | 120.0° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | C19 | 124.1° | 120.0° |
| C17 | C18 | H18 | 118.0° | 120.0° |
| C19 | C18 | H18 | 117.9° | 120.0° |
| C18 | C19 | C29 | 118.9° | 120.7° |
| C18 | C19 | H19 | 120.5° | 117.7° |
| C29 | C19 | H19 | 120.6° | 121.6° |
| H101 | C10 | H102 | 109.5° | 110.0° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N1 | N2 | C3 | 155.9° | 178.3° |
| C11 | N1 | N2 | HN2 | 24.1° | 0.0° |
| N1 | C11 | C12 | H112 | 112.0° | 180.0° |
| N1 | C11 | C12 | C13 | 116.4° | 30.0° |
| N1 | C11 | C12 | C29 | 64.6° | 150.0° |
| N1 | N2 | C3 | HN2 | 180.0° | 178.2° |
| N1 | N2 | C3 | O3 | 0.4° | 0.0° |
| N1 | N2 | C3 | C1' | 179.3° | 179.1° |
| N2 | N1 | C11 | C12 | 178.8° | 180.0° |
| N2 | N1 | C11 | H112 | 66.7° | 0.1° |
| N2 | C3 | O3 | C1' | 179.7° | 179.0° |
| N2 | C3 | C1' | C2' | 13.5° | 153.0° |
| N2 | C3 | C1' | C6' | 166.5° | 26.9° |
| HN2 | N2 | C3 | O3 | 179.6° | 178.2° |
| HN2 | N2 | C3 | C1' | 0.7° | 0.9° |
| O3 | C3 | C1' | C2' | 166.2° | 26.2° |
| O3 | C3 | C1' | C6' | 13.8° | 153.9° |
| C3 | C1' | C2' | C6' | 180.0° | 179.9° |
| C3 | C1' | C2' | C3' | 179.9° | 180.0° |
| C3 | C1' | C2' | H2' | 0.1° | 0.1° |
| C3 | C1' | C6' | C5' | 179.8° | 180.0° |
| C3 | C1' | C6' | H6' | 0.2° | 0.1° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | OH4 | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.2° | 0.1° |
| C2' | C1' | C6' | C5' | 0.1° | 0.1° |
| C2' | C1' | C6' | H6' | 179.9° | 180.0° |
| C6' | C1' | C2' | C3' | 0.1° | 0.1° |
| C6' | C1' | C2' | H2' | 179.9° | 180.0° |
| C1' | C6' | C5' | C4' | 0.2° | 0.1° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 179.8° | 180.0° |
| C2' | C3' | OH4 | C4' | 179.8° | 179.9° |
| C2' | C3' | C4' | C5' | 0.3° | 0.0° |
| C2' | C3' | C4' | OH3 | 179.9° | 180.0° |
| C2' | C3' | OH4 | HOH4 | 12.0° | 61.1° |
| H2' | C2' | C3' | OH4 | 0.0° | 0.1° |
| H2' | C2' | C3' | C4' | 179.8° | 180.0° |
| OH4 | C3' | C4' | C5' | 179.9° | 180.0° |
| OH4 | C3' | C4' | OH3 | 0.1° | 0.1° |
| C3' | C4' | C5' | OH3 | 179.8° | 180.0° |
| C3' | C4' | C5' | C6' | 0.3° | 0.0° |
| C3' | C4' | C5' | H5' | 179.7° | 180.0° |
| C3' | C4' | OH3 | HOH3 | 141.8° | 25.5° |
| C4' | C3' | OH4 | HOH4 | 168.2° | 118.8° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 179.8° | 180.0° |
| C5' | C4' | OH3 | HOH3 | 38.3° | 154.6° |
| OH3 | C4' | C5' | C6' | 179.9° | 180.0° |
| OH3 | C4' | C5' | H5' | 0.1° | 0.0° |
| H5' | C5' | C6' | H6' | 0.2° | 0.0° |
| C11 | C12 | C13 | C29 | 179.1° | 180.0° |
| C11 | C12 | C13 | C14 | 179.4° | 180.0° |
| C11 | C12 | C13 | O13 | 0.8° | 0.0° |
| C11 | C12 | C29 | C25 | 179.4° | 180.0° |
| C11 | C12 | C29 | C19 | 1.1° | 0.1° |
| H112 | C11 | C12 | C13 | 4.4° | 150.0° |
| H112 | C11 | C12 | C29 | 176.6° | 30.0° |
| C12 | C13 | C14 | O13 | 178.6° | 180.0° |
| C12 | C13 | O13 | C10 | 179.8° | 90.0° |
| C12 | C13 | C14 | C15 | 1.4° | 0.0° |
| C12 | C13 | C14 | H14 | 178.6° | 180.0° |
| C13 | C12 | C29 | C25 | 1.6° | 0.0° |
| C13 | C12 | C29 | C19 | 179.9° | 180.0° |
| C29 | C12 | C13 | C14 | 1.5° | 0.0° |
| C29 | C12 | C13 | O13 | 179.9° | 180.0° |
| C12 | C29 | C25 | C15 | 1.8° | 0.1° |
| C12 | C29 | C25 | C16 | 180.0° | 180.0° |
| C12 | C29 | C25 | C19 | 178.3° | 179.9° |
| C12 | C29 | C19 | C18 | 179.8° | 180.0° |
| C12 | C29 | C19 | H19 | 0.2° | 0.1° |
| C14 | C13 | O13 | C10 | 1.1° | 90.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C25 | 1.6° | 0.0° |
| C13 | C14 | C15 | H15 | 178.4° | 180.0° |
| O13 | C13 | C14 | C15 | 180.0° | 180.0° |
| O13 | C13 | C14 | H14 | 0.0° | 0.0° |
| C13 | O13 | C10 | H101 | 164.4° | 157.7° |
| C13 | O13 | C10 | H102 | 75.6° | 81.6° |
| C13 | O13 | C10 | H103 | 44.4° | 38.1° |
| O13 | C10 | H101 | H102 | 120.0° | 120.4° |
| O13 | C10 | H101 | H103 | 120.0° | 119.4° |
| O13 | C10 | H102 | H103 | 120.0° | 119.4° |
| C14 | C15 | C25 | H15 | 180.0° | 180.0° |
| C14 | C15 | C25 | C16 | 180.0° | 180.0° |
| C14 | C15 | C25 | C29 | 1.8° | 0.1° |
| H14 | C14 | C15 | C25 | 178.4° | 180.0° |
| H14 | C14 | C15 | H15 | 1.6° | 0.0° |
| C15 | C25 | C16 | C29 | 178.2° | 179.9° |
| C15 | C25 | C16 | C17 | 179.7° | 180.0° |
| C15 | C25 | C16 | H16 | 0.3° | 0.1° |
| C15 | C25 | C29 | C19 | 179.8° | 180.0° |
| H15 | C15 | C25 | C16 | 0.0° | 0.0° |
| H15 | C15 | C25 | C29 | 178.2° | 180.0° |
| C25 | C16 | C17 | H16 | 180.0° | 180.0° |
| C25 | C16 | C17 | C18 | 1.2° | 0.0° |
| C25 | C16 | C17 | H17 | 178.7° | 179.9° |
| C16 | C25 | C29 | C19 | 1.7° | 0.1° |
| C29 | C25 | C16 | C17 | 1.5° | 0.1° |
| C29 | C25 | C16 | H16 | 178.5° | 180.0° |
| C25 | C29 | C19 | C18 | 1.6° | 0.1° |
| C25 | C29 | C19 | H19 | 178.4° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.2° | 0.0° |
| C16 | C17 | C18 | H18 | 178.8° | 180.0° |
| H16 | C16 | C17 | C18 | 178.8° | 180.0° |
| H16 | C16 | C17 | H17 | 1.3° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C29 | 1.4° | 0.1° |
| C17 | C18 | C19 | H19 | 178.6° | 179.9° |
| H17 | C17 | C18 | C19 | 178.8° | 179.9° |
| H17 | C17 | C18 | H18 | 1.2° | 0.1° |
| C18 | C19 | C29 | H19 | 180.0° | 179.9° |
| H18 | C18 | C19 | C29 | 178.6° | 180.0° |
| H18 | C18 | C19 | H19 | 1.4° | 0.1° |
| H101 | C10 | H102 | H103 | 120.0° | 120.2° |
