DNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C2 | sing | 1.37Å | 1.36Å | |
| O9 | C8 | sing | 1.43Å | 1.42Å | |
| C26 | C8 | sing | 1.52Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C15 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | O7 | sing | 1.44Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | N12 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.51Å | 1.56Å | |
| C14 | C18 | sing | 1.51Å | 1.52Å | |
| N12 | C13 | sing | 1.35Å | 1.41Å | |
| N12 | C11 | sing | 1.47Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | O24 | doub | 1.21Å | 1.24Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O7 | sing | 1.37Å | 1.36Å | |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O9 | C8 | 105.9° | 105.3° |
| O9 | C2 | C1 | 128.0° | 131.5° |
| O9 | C2 | C3 | 109.2° | 108.7° |
| O9 | C8 | C26 | 109.5° | 110.4° |
| O9 | C8 | C10 | 110.9° | 110.3° |
| O9 | C8 | O7 | 109.2° | 104.4° |
| C8 | C26 | C25 | 103.5° | 109.4° |
| C26 | C8 | C10 | 110.1° | 110.8° |
| C26 | C8 | O7 | 106.5° | 110.4° |
| C8 | C26 | H19 | 110.9° | 109.5° |
| C8 | C26 | H20 | 111.0° | 109.5° |
| C26 | C25 | N12 | 113.0° | 108.7° |
| C26 | C25 | H17 | 108.6° | 109.6° |
| C26 | C25 | H18 | 108.6° | 109.7° |
| C25 | C26 | H19 | 110.9° | 109.4° |
| C25 | C26 | H20 | 110.9° | 109.5° |
| C2 | C1 | C6 | 114.9° | 120.0° |
| C1 | C2 | C3 | 122.8° | 119.8° |
| C2 | C1 | H21 | 122.5° | 120.0° |
| C1 | C6 | C5 | 121.6° | 120.2° |
| C6 | C1 | H21 | 122.5° | 120.1° |
| C1 | C6 | H24 | 119.2° | 119.9° |
| C2 | C3 | O7 | 109.8° | 108.6° |
| C2 | C3 | C4 | 122.4° | 119.9° |
| C17 | C15 | C14 | 111.1° | 109.5° |
| C17 | C15 | C16 | 109.3° | 109.5° |
| C17 | C15 | H5 | 108.7° | 109.5° |
| C15 | C17 | H9 | 109.5° | 109.5° |
| C15 | C17 | H10 | 109.5° | 109.5° |
| C15 | C17 | H11 | 109.5° | 109.5° |
| C10 | C8 | O7 | 110.5° | 110.4° |
| C8 | C10 | C11 | 108.9° | 109.4° |
| C8 | C10 | H1 | 109.6° | 109.5° |
| C8 | C10 | H2 | 109.6° | 109.5° |
| C8 | O7 | C3 | 105.9° | 105.3° |
| C10 | C11 | N12 | 113.0° | 108.7° |
| C11 | C10 | H1 | 109.6° | 109.4° |
| C11 | C10 | H2 | 109.6° | 109.5° |
| C10 | C11 | H3 | 108.6° | 109.5° |
| C10 | C11 | H4 | 108.6° | 109.6° |
| C6 | C5 | C4 | 123.4° | 120.2° |
| C6 | C5 | H23 | 118.3° | 119.9° |
| C5 | C6 | H24 | 119.2° | 119.9° |
| C25 | N12 | C13 | 125.4° | 120.6° |
| C25 | N12 | C11 | 115.7° | 118.8° |
| N12 | C25 | H17 | 108.6° | 109.6° |
| N12 | C25 | H18 | 108.6° | 109.6° |
| C15 | C14 | C13 | 110.8° | 109.5° |
| C15 | C14 | C18 | 111.7° | 109.4° |
| C14 | C15 | C16 | 110.4° | 109.5° |
| C14 | C15 | H5 | 108.5° | 109.5° |
| C15 | C14 | H25 | 108.4° | 109.5° |
| C13 | C14 | C18 | 108.4° | 109.5° |
| C14 | C13 | N12 | 121.5° | 120.0° |
| C14 | C13 | O24 | 121.6° | 120.0° |
| C13 | C14 | H25 | 108.5° | 109.5° |
| C14 | C18 | C19 | 120.4° | 120.0° |
| C14 | C18 | C23 | 120.5° | 120.0° |
| C18 | C14 | H25 | 108.9° | 109.5° |
| C13 | N12 | C11 | 119.0° | 120.6° |
| N12 | C13 | O24 | 116.9° | 120.0° |
| N12 | C11 | H3 | 108.6° | 109.6° |
| N12 | C11 | H4 | 108.6° | 109.8° |
| C16 | C15 | H5 | 108.8° | 109.4° |
| C15 | C16 | H6 | 109.5° | 109.5° |
| C15 | C16 | H7 | 109.5° | 109.5° |
| C15 | C16 | H8 | 109.5° | 109.4° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | C23 | 119.0° | 120.0° |
| C18 | C19 | H12 | 119.8° | 120.1° |
| C19 | C20 | C21 | 120.4° | 120.0° |
| C20 | C19 | H12 | 119.8° | 120.0° |
| C19 | C20 | H13 | 119.8° | 120.0° |
| O7 | C3 | C4 | 127.8° | 131.5° |
| C3 | C4 | C5 | 114.8° | 120.0° |
| C3 | C4 | H22 | 122.6° | 120.0° |
| C18 | C23 | C22 | 120.1° | 120.0° |
| C18 | C23 | H16 | 119.9° | 120.0° |
| C5 | C4 | H22 | 122.6° | 120.0° |
| C4 | C5 | H23 | 118.3° | 119.9° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C21 | C20 | H13 | 119.8° | 120.0° |
| C20 | C21 | H14 | 120.4° | 120.0° |
| C23 | C22 | C21 | 120.8° | 120.0° |
| C23 | C22 | H15 | 119.6° | 120.0° |
| C22 | C23 | H16 | 120.0° | 120.0° |
| C22 | C21 | H14 | 120.4° | 120.0° |
| C21 | C22 | H15 | 119.6° | 119.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.6° |
| H6 | C16 | H7 | 109.4° | 109.5° |
| H6 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H9 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.4° | 109.5° |
| H17 | C25 | H18 | 109.4° | 109.6° |
| H19 | C26 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | O9 | C8 | C26 | 115.9° | 145.3° |
| O9 | C2 | C1 | C3 | 179.9° | 180.0° |
| O9 | C2 | C1 | C6 | 179.8° | 180.0° |
| C2 | O9 | C8 | C10 | 122.3° | 91.8° |
| C2 | O9 | C8 | O7 | 0.3° | 26.7° |
| O9 | C2 | C3 | O7 | 0.3° | 0.1° |
| O9 | C2 | C3 | C4 | 180.0° | 180.0° |
| O9 | C2 | C1 | H21 | 0.2° | 0.0° |
| O9 | C8 | C26 | C10 | 122.2° | 122.6° |
| O9 | C8 | C26 | O7 | 118.0° | 114.9° |
| O9 | C8 | C26 | C25 | 168.7° | 62.5° |
| C8 | O9 | C2 | C1 | 179.9° | 163.1° |
| C8 | O9 | C2 | C3 | 0.0° | 17.0° |
| O9 | C8 | C10 | O7 | 121.3° | 114.8° |
| O9 | C8 | C10 | C11 | 175.3° | 62.5° |
| O9 | C8 | O7 | C3 | 0.5° | 26.6° |
| O9 | C8 | C10 | H1 | 64.8° | 177.6° |
| O9 | C8 | C10 | H2 | 55.4° | 57.5° |
| O9 | C8 | C26 | H19 | 49.7° | 57.4° |
| O9 | C8 | C26 | H20 | 72.2° | 177.5° |
| C8 | C26 | C25 | H19 | 119.0° | 120.0° |
| C8 | C26 | C25 | H20 | 119.1° | 120.0° |
| C26 | C8 | C10 | O7 | 117.3° | 122.6° |
| C26 | C8 | C10 | C11 | 63.3° | 60.1° |
| C8 | C26 | C25 | N12 | 61.3° | 53.8° |
| C26 | C8 | O7 | C3 | 117.7° | 145.3° |
| C26 | C8 | C10 | H1 | 56.6° | 59.8° |
| C26 | C8 | C10 | H2 | 176.8° | 179.9° |
| C8 | C26 | C25 | H17 | 59.3° | 173.5° |
| C8 | C26 | C25 | H18 | 178.2° | 66.1° |
| C8 | C26 | H19 | H20 | 122.8° | 120.1° |
| C25 | C26 | C8 | C10 | 69.0° | 60.1° |
| C25 | C26 | C8 | O7 | 50.8° | 177.4° |
| C26 | C25 | N12 | H17 | 120.5° | 119.8° |
| C26 | C25 | N12 | H18 | 120.5° | 119.9° |
| C26 | C25 | N12 | C13 | 131.5° | 125.9° |
| C26 | C25 | N12 | C11 | 49.6° | 54.0° |
| C26 | C25 | H17 | H18 | 118.4° | 120.5° |
| C25 | C26 | H19 | H20 | 122.7° | 120.0° |
| C2 | C1 | C6 | H21 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | C3 | O7 | 179.6° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | H24 | 179.3° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | C5 | H24 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 1.0° | 0.0° |
| C1 | C6 | C5 | H23 | 179.0° | 180.0° |
| C2 | C3 | O7 | C8 | 0.5° | 16.8° |
| C2 | C3 | O7 | C4 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H21 | 179.9° | 180.0° |
| C2 | C3 | C4 | H22 | 179.8° | 180.0° |
| C17 | C15 | C14 | C16 | 121.5° | 120.1° |
| C17 | C15 | C14 | H5 | 119.5° | 120.0° |
| C17 | C15 | C14 | C13 | 71.4° | 64.8° |
| C17 | C15 | C14 | C18 | 167.6° | 175.2° |
| C17 | C15 | C16 | H5 | 118.6° | 120.0° |
| C17 | C15 | C16 | H6 | 180.0° | 60.0° |
| C17 | C15 | C16 | H7 | 60.0° | 180.0° |
| C17 | C15 | C16 | H8 | 60.0° | 60.0° |
| C15 | C17 | H9 | H10 | 120.0° | 120.0° |
| C15 | C17 | H9 | H11 | 120.0° | 120.0° |
| C15 | C17 | H10 | H11 | 120.0° | 120.0° |
| C17 | C15 | C14 | H25 | 47.6° | 55.2° |
| C8 | C10 | C11 | H1 | 119.9° | 119.9° |
| C8 | C10 | C11 | H2 | 119.9° | 120.0° |
| C8 | C10 | C11 | N12 | 46.3° | 53.8° |
| C10 | C8 | O7 | C3 | 122.8° | 91.9° |
| C8 | C10 | H1 | H2 | 120.3° | 120.1° |
| C8 | C10 | C11 | H3 | 166.8° | 65.9° |
| C8 | C10 | C11 | H4 | 74.3° | 173.9° |
| C10 | C8 | C26 | H19 | 171.9° | 180.0° |
| C10 | C8 | C26 | H20 | 50.0° | 59.9° |
| O7 | C8 | C10 | C11 | 54.0° | 177.3° |
| C8 | O7 | C3 | C4 | 179.9° | 163.1° |
| O7 | C8 | C10 | H1 | 173.9° | 62.8° |
| O7 | C8 | C10 | H2 | 65.9° | 57.3° |
| O7 | C8 | C26 | H19 | 68.3° | 57.5° |
| O7 | C8 | C26 | H20 | 169.8° | 62.6° |
| C10 | C11 | N12 | C25 | 40.8° | 54.1° |
| C10 | C11 | N12 | C13 | 140.2° | 125.8° |
| C10 | C11 | N12 | H3 | 120.5° | 119.7° |
| C10 | C11 | N12 | H4 | 120.5° | 119.9° |
| C11 | C10 | H1 | H2 | 120.2° | 120.1° |
| C10 | C11 | H3 | H4 | 118.4° | 120.3° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C6 | C5 | C4 | H23 | 180.0° | 179.9° |
| C5 | C6 | C1 | H21 | 179.3° | 180.0° |
| C6 | C5 | C4 | H22 | 179.2° | 180.0° |
| C25 | N12 | C13 | C14 | 0.8° | 175.5° |
| C25 | N12 | C13 | C11 | 178.9° | 179.9° |
| C25 | N12 | C13 | O24 | 179.5° | 4.5° |
| C25 | N12 | C11 | H3 | 161.4° | 65.6° |
| C25 | N12 | C11 | H4 | 79.7° | 174.0° |
| N12 | C25 | H17 | H18 | 118.4° | 120.3° |
| N12 | C25 | C26 | H19 | 179.7° | 173.7° |
| N12 | C25 | C26 | H20 | 57.8° | 66.2° |
| C15 | C14 | C13 | C18 | 122.9° | 120.0° |
| C15 | C14 | C13 | H25 | 118.9° | 120.0° |
| C15 | C14 | C18 | H25 | 119.7° | 120.0° |
| C15 | C14 | C13 | N12 | 178.7° | 155.9° |
| C14 | C15 | C16 | H5 | 118.9° | 120.0° |
| C15 | C14 | C13 | O24 | 1.1° | 24.1° |
| C15 | C14 | C18 | C19 | 112.5° | 60.3° |
| C15 | C14 | C18 | C23 | 69.5° | 120.0° |
| C14 | C15 | C16 | H6 | 57.5° | 180.0° |
| C14 | C15 | C16 | H7 | 62.5° | 60.0° |
| C14 | C15 | C16 | H8 | 177.5° | 60.0° |
| C14 | C15 | C17 | H9 | 180.0° | 55.0° |
| C14 | C15 | C17 | H10 | 60.0° | 65.0° |
| C14 | C15 | C17 | H11 | 60.0° | 174.9° |
| C13 | C14 | C18 | H25 | 117.9° | 120.0° |
| C14 | C13 | N12 | O24 | 179.7° | 180.0° |
| C14 | C13 | N12 | C11 | 179.6° | 4.6° |
| C13 | C14 | C15 | C16 | 167.2° | 175.1° |
| C13 | C14 | C18 | C19 | 125.1° | 59.7° |
| C13 | C14 | C18 | C23 | 52.8° | 120.0° |
| C13 | C14 | C15 | H5 | 48.1° | 55.1° |
| C18 | C14 | C13 | N12 | 58.4° | 84.1° |
| C18 | C14 | C15 | C16 | 46.2° | 55.1° |
| C18 | C14 | C13 | O24 | 121.8° | 95.8° |
| C14 | C18 | C19 | C23 | 178.0° | 179.7° |
| C14 | C18 | C19 | C20 | 178.9° | 179.7° |
| C14 | C18 | C23 | C22 | 179.0° | 179.6° |
| C18 | C14 | C15 | H5 | 72.9° | 64.8° |
| C14 | C18 | C19 | H12 | 1.2° | 0.3° |
| C14 | C18 | C23 | H16 | 0.9° | 0.3° |
| C13 | N12 | C11 | H3 | 19.7° | 114.4° |
| C13 | N12 | C11 | H4 | 99.3° | 5.9° |
| C13 | N12 | C25 | H17 | 107.9° | 6.1° |
| C13 | N12 | C25 | H18 | 11.0° | 114.2° |
| N12 | C13 | C14 | H25 | 59.7° | 35.9° |
| C11 | N12 | C13 | O24 | 0.6° | 175.4° |
| N12 | C11 | C10 | H1 | 73.6° | 66.1° |
| N12 | C11 | C10 | H2 | 166.2° | 173.8° |
| N12 | C11 | H3 | H4 | 118.4° | 120.5° |
| C11 | N12 | C25 | H17 | 71.0° | 173.8° |
| C11 | N12 | C25 | H18 | 170.1° | 65.9° |
| C15 | C16 | H6 | H7 | 120.0° | 120.1° |
| C15 | C16 | H6 | H8 | 120.0° | 120.0° |
| C15 | C16 | H7 | H8 | 120.0° | 120.0° |
| C16 | C15 | C17 | H9 | 58.0° | 65.1° |
| C16 | C15 | C17 | H10 | 62.0° | 174.9° |
| C16 | C15 | C17 | H11 | 178.0° | 54.9° |
| C16 | C15 | C14 | H25 | 73.8° | 64.9° |
| O24 | C13 | C14 | H25 | 120.0° | 144.2° |
| C18 | C19 | C20 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C18 | C23 | C22 | 1.1° | 0.1° |
| C18 | C19 | C20 | H13 | 179.7° | 179.9° |
| C19 | C18 | C23 | H16 | 178.9° | 180.0° |
| C19 | C18 | C14 | H25 | 7.2° | 179.7° |
| C20 | C19 | C18 | C23 | 0.9° | 0.0° |
| C19 | C20 | C21 | H13 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C19 | C20 | C21 | H14 | 179.9° | 179.9° |
| O7 | C3 | C4 | C5 | 179.9° | 179.9° |
| O7 | C3 | C4 | H22 | 0.1° | 0.1° |
| C3 | C4 | C5 | H22 | 180.0° | 180.0° |
| C3 | C4 | C5 | H23 | 179.2° | 180.0° |
| C18 | C23 | C22 | H16 | 180.0° | 179.9° |
| C18 | C23 | C22 | C21 | 0.7° | 0.1° |
| C23 | C18 | C19 | H12 | 179.2° | 180.0° |
| C18 | C23 | C22 | H15 | 179.3° | 180.0° |
| C23 | C18 | C14 | H25 | 170.7° | 0.0° |
| C4 | C5 | C6 | H24 | 179.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C21 | C20 | C19 | H12 | 179.7° | 180.0° |
| C20 | C21 | C22 | H15 | 179.9° | 180.0° |
| C23 | C22 | C21 | H15 | 180.0° | 179.9° |
| C23 | C22 | C21 | H14 | 179.9° | 179.9° |
| C22 | C21 | C20 | H13 | 179.9° | 180.0° |
| C21 | C22 | C23 | H16 | 179.3° | 179.9° |
| H1 | C10 | C11 | H3 | 46.9° | 174.2° |
| H1 | C10 | C11 | H4 | 165.8° | 53.9° |
| H2 | C10 | C11 | H3 | 73.3° | 54.1° |
| H2 | C10 | C11 | H4 | 45.6° | 66.1° |
| H5 | C15 | C16 | H6 | 61.4° | 60.0° |
| H5 | C15 | C16 | H7 | 178.6° | 60.0° |
| H5 | C15 | C16 | H8 | 58.6° | 180.0° |
| H5 | C15 | C17 | H9 | 60.7° | 174.9° |
| H5 | C15 | C17 | H10 | 179.3° | 55.0° |
| H5 | C15 | C17 | H11 | 59.3° | 65.1° |
| H5 | C15 | C14 | H25 | 167.1° | 175.2° |
| H6 | C16 | H7 | H8 | 120.0° | 120.0° |
| H9 | C17 | H10 | H11 | 120.0° | 120.0° |
| H12 | C19 | C20 | H13 | 0.2° | 0.1° |
| H13 | C20 | C21 | H14 | 0.1° | 0.0° |
| H14 | C21 | C22 | H15 | 0.1° | 0.0° |
| H15 | C22 | C23 | H16 | 0.7° | 0.1° |
| H17 | C25 | C26 | H19 | 59.7° | 66.5° |
| H17 | C25 | C26 | H20 | 178.4° | 53.5° |
| H18 | C25 | C26 | H19 | 59.2° | 53.9° |
| H18 | C25 | C26 | H20 | 62.7° | 174.0° |
| H21 | C1 | C6 | H24 | 0.7° | 0.1° |
| H22 | C4 | C5 | H23 | 0.7° | 0.0° |
| H23 | C5 | C6 | H24 | 1.0° | 0.1° |
