CUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3O | O3 | sing | 1.43Å | 1.42Å | |
| O4 | C4 | sing | 1.36Å | 1.36Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| O2 | C9 | doub | 1.22Å | 1.22Å | |
| C1 | C7 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | doub | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.41Å | 1.47Å | |
| O16 | C15 | sing | 1.35Å | 1.33Å | |
| C10 | C15 | doub | 1.38Å | 1.34Å | |
| C15 | C17 | sing | 1.42Å | 1.48Å | |
| C17 | C18 | doub | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | O26 | sing | 1.36Å | 1.38Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| O26 | C27 | sing | 1.43Å | 1.44Å | |
| C22 | O4' | sing | 1.36Å | 1.36Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| O4' | H8 | sing | 0.97Å | 0.95Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C3O | H17 | sing | 1.09Å | 1.10Å | |
| C3O | H18 | sing | 1.09Å | 1.10Å | |
| C3O | H19 | sing | 1.09Å | 1.10Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å | |
| C5 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3O | O3 | C3 | 114.6° | 117.0° |
| O3 | C3O | H17 | 109.5° | 109.5° |
| O3 | C3O | H18 | 109.5° | 109.4° |
| O3 | C3O | H19 | 109.5° | 109.5° |
| O4 | C4 | C5 | 120.3° | 119.9° |
| O4 | C4 | C3 | 120.0° | 119.9° |
| C4 | O4 | H20 | 109.5° | 113.9° |
| O3 | C3 | C4 | 118.3° | 120.0° |
| O3 | C3 | C2 | 119.8° | 120.0° |
| C5 | C4 | C3 | 119.7° | 120.2° |
| C4 | C5 | C6 | 118.8° | 120.1° |
| C4 | C5 | H21 | 120.6° | 119.9° |
| C4 | C3 | C2 | 121.8° | 120.0° |
| C5 | C6 | C1 | 121.6° | 120.0° |
| C6 | C5 | H21 | 120.6° | 120.0° |
| C5 | C6 | H22 | 119.2° | 120.0° |
| C3 | C2 | C1 | 118.5° | 119.8° |
| C3 | C2 | H16 | 120.7° | 120.1° |
| C2 | C1 | C6 | 119.6° | 119.8° |
| C2 | C1 | C7 | 124.6° | 120.1° |
| C1 | C2 | H16 | 120.8° | 120.1° |
| C6 | C1 | C7 | 115.8° | 120.1° |
| C1 | C6 | H22 | 119.2° | 120.0° |
| O2 | C9 | C8 | 123.6° | 120.0° |
| O2 | C9 | C10 | 124.2° | 120.0° |
| C1 | C7 | C8 | 134.8° | 120.0° |
| C1 | C7 | H15 | 112.6° | 120.0° |
| C7 | C8 | C9 | 132.4° | 120.0° |
| C7 | C8 | H14 | 113.8° | 120.0° |
| C8 | C7 | H15 | 112.6° | 120.0° |
| C8 | C9 | C10 | 112.2° | 120.0° |
| C9 | C8 | H14 | 113.7° | 120.0° |
| C9 | C10 | C15 | 129.4° | 120.0° |
| C9 | C10 | H13 | 115.3° | 120.0° |
| O16 | C15 | C10 | 122.8° | 120.0° |
| O16 | C15 | C17 | 123.0° | 120.0° |
| C15 | O16 | H1 | 109.5° | 114.0° |
| C10 | C15 | C17 | 114.2° | 120.0° |
| C15 | C10 | H13 | 115.3° | 120.0° |
| C15 | C17 | C18 | 113.4° | 120.0° |
| C15 | C17 | H3 | 123.3° | 120.0° |
| C17 | C18 | C19 | 127.5° | 120.0° |
| C18 | C17 | H3 | 123.3° | 120.0° |
| C17 | C18 | H4 | 116.3° | 120.0° |
| C18 | C19 | C20 | 118.3° | 120.1° |
| C18 | C19 | C24 | 121.8° | 120.1° |
| C19 | C18 | H4 | 116.3° | 120.0° |
| C20 | C19 | C24 | 119.8° | 119.8° |
| C19 | C20 | C21 | 121.2° | 119.9° |
| C19 | C20 | H12 | 119.4° | 120.1° |
| C19 | C24 | C23 | 119.3° | 119.9° |
| C19 | C24 | H6 | 120.4° | 120.0° |
| C20 | C21 | O26 | 119.3° | 120.0° |
| C20 | C21 | C22 | 118.8° | 120.0° |
| C21 | C20 | H12 | 119.4° | 120.1° |
| C24 | C23 | C22 | 120.6° | 120.2° |
| C23 | C24 | H6 | 120.4° | 120.0° |
| C24 | C23 | H7 | 119.7° | 119.9° |
| O26 | C21 | C22 | 121.9° | 120.0° |
| C21 | O26 | C27 | 124.9° | 117.0° |
| C21 | C22 | C23 | 120.3° | 120.2° |
| C21 | C22 | O4' | 120.2° | 119.9° |
| C23 | C22 | O4' | 119.4° | 119.9° |
| C22 | C23 | H7 | 119.7° | 119.9° |
| O26 | C27 | H9 | 109.5° | 109.5° |
| O26 | C27 | H10 | 109.5° | 109.5° |
| O26 | C27 | H11 | 109.5° | 109.4° |
| C22 | O4' | H8 | 109.5° | 114.0° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H9 | C27 | H11 | 109.4° | 109.5° |
| H10 | C27 | H11 | 109.4° | 109.5° |
| H17 | C3O | H18 | 109.5° | 109.5° |
| H17 | C3O | H19 | 109.5° | 109.5° |
| H18 | C3O | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3O | O3 | C3 | C4 | 91.3° | 180.0° |
| C3O | O3 | C3 | C2 | 86.2° | 0.0° |
| O3 | C3O | H17 | H18 | 120.0° | 120.0° |
| O3 | C3O | H17 | H19 | 120.0° | 120.0° |
| O3 | C3O | H18 | H19 | 120.0° | 120.0° |
| O4 | C4 | C3 | O3 | 2.1° | 0.2° |
| O4 | C4 | C5 | C3 | 179.6° | 179.8° |
| O4 | C4 | C5 | C6 | 179.7° | 180.0° |
| O4 | C4 | C3 | C2 | 179.4° | 179.8° |
| O4 | C4 | C5 | H21 | 0.3° | 0.2° |
| O3 | C3 | C4 | C5 | 178.3° | 180.0° |
| O3 | C3 | C4 | C2 | 177.4° | 180.0° |
| O3 | C3 | C2 | C1 | 178.4° | 180.0° |
| O3 | C3 | C2 | H16 | 1.5° | 0.1° |
| C3 | O3 | C3O | H17 | 180.0° | 60.0° |
| C3 | O3 | C3O | H18 | 60.0° | 60.0° |
| C3 | O3 | C3O | H19 | 60.0° | 180.0° |
| C4 | C5 | C6 | H21 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.5° |
| C5 | C4 | O4 | H20 | 180.0° | 90.0° |
| C4 | C5 | C6 | H22 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C4 | C3 | C2 | C1 | 1.1° | 0.0° |
| C4 | C3 | C2 | H16 | 178.9° | 179.9° |
| C3 | C4 | O4 | H20 | 0.4° | 89.8° |
| C3 | C4 | C5 | H21 | 179.9° | 180.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.5° |
| C5 | C6 | C1 | H22 | 180.0° | 179.5° |
| C5 | C6 | C1 | C7 | 179.8° | 179.8° |
| C3 | C2 | C1 | H16 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.4° | 0.2° |
| C3 | C2 | C1 | C7 | 179.3° | 180.0° |
| C2 | C1 | C6 | C7 | 179.8° | 179.7° |
| C2 | C1 | C7 | C8 | 13.6° | 136.5° |
| C2 | C1 | C7 | H15 | 166.4° | 43.5° |
| C2 | C1 | C6 | H22 | 179.6° | 180.0° |
| C6 | C1 | C7 | C8 | 166.7° | 43.8° |
| C6 | C1 | C7 | H15 | 13.3° | 136.2° |
| C6 | C1 | C2 | H16 | 179.6° | 179.8° |
| C1 | C6 | C5 | H21 | 179.4° | 179.8° |
| O2 | C9 | C8 | C7 | 49.6° | 6.2° |
| O2 | C9 | C8 | C10 | 177.8° | 180.0° |
| O2 | C9 | C10 | C15 | 27.7° | 7.4° |
| O2 | C9 | C10 | H13 | 152.3° | 172.6° |
| O2 | C9 | C8 | H14 | 130.4° | 173.9° |
| C1 | C7 | C8 | H15 | 180.0° | 179.9° |
| C1 | C7 | C8 | C9 | 3.9° | 10.8° |
| C1 | C7 | C8 | H14 | 176.1° | 169.1° |
| C7 | C1 | C2 | H16 | 0.7° | 0.1° |
| C7 | C1 | C6 | H22 | 0.2° | 0.3° |
| C7 | C8 | C9 | H14 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 132.6° | 173.8° |
| C8 | C9 | C10 | C15 | 150.1° | 172.7° |
| C8 | C9 | C10 | H13 | 29.9° | 7.4° |
| C9 | C8 | C7 | H15 | 176.1° | 169.1° |
| C9 | C10 | C15 | O16 | 1.1° | 14.4° |
| C9 | C10 | C15 | H13 | 180.0° | 179.9° |
| C9 | C10 | C15 | C17 | 178.5° | 165.7° |
| C10 | C9 | C8 | H14 | 47.4° | 6.1° |
| O16 | C15 | C10 | C17 | 179.6° | 179.9° |
| O16 | C15 | C17 | C18 | 167.8° | 0.0° |
| O16 | C15 | C17 | H3 | 12.2° | 180.0° |
| O16 | C15 | C10 | H13 | 178.8° | 165.7° |
| C10 | C15 | C17 | C18 | 11.8° | 180.0° |
| C10 | C15 | O16 | H1 | 8.2° | 5.7° |
| C10 | C15 | C17 | H3 | 168.2° | 0.1° |
| C15 | C17 | C18 | H3 | 180.0° | 180.0° |
| C15 | C17 | C18 | C19 | 179.5° | 180.0° |
| C17 | C15 | O16 | H1 | 172.2° | 174.2° |
| C15 | C17 | C18 | H4 | 0.5° | 0.0° |
| C17 | C15 | C10 | H13 | 1.5° | 14.3° |
| C17 | C18 | C19 | H4 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 128.3° | 180.0° |
| C17 | C18 | C19 | C24 | 53.3° | 0.3° |
| C18 | C19 | C20 | C24 | 178.5° | 179.7° |
| C18 | C19 | C20 | C21 | 179.0° | 179.8° |
| C18 | C19 | C24 | C23 | 179.3° | 179.9° |
| C19 | C18 | C17 | H3 | 0.5° | 0.0° |
| C18 | C19 | C24 | H6 | 0.7° | 0.0° |
| C18 | C19 | C20 | H12 | 1.0° | 0.0° |
| C19 | C20 | C21 | H12 | 180.0° | 179.7° |
| C20 | C19 | C24 | C23 | 0.9° | 0.2° |
| C19 | C20 | C21 | O26 | 179.1° | 179.7° |
| C19 | C20 | C21 | C22 | 0.3° | 0.5° |
| C20 | C19 | C18 | H4 | 51.7° | 0.0° |
| C20 | C19 | C24 | H6 | 179.1° | 179.7° |
| C24 | C19 | C20 | C21 | 0.5° | 0.5° |
| C19 | C24 | C23 | H6 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.4° | 0.0° |
| C24 | C19 | C18 | H4 | 126.7° | 179.7° |
| C19 | C24 | C23 | H7 | 179.6° | 180.0° |
| C24 | C19 | C20 | H12 | 179.4° | 179.7° |
| C20 | C21 | O26 | C22 | 178.7° | 179.8° |
| C20 | C21 | C22 | C23 | 0.8° | 0.2° |
| C20 | C21 | O26 | C27 | 112.9° | 0.2° |
| C20 | C21 | C22 | O4' | 179.7° | 179.8° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C24 | C23 | C22 | H7 | 180.0° | 179.9° |
| C24 | C23 | C22 | O4' | 180.0° | 179.9° |
| O26 | C21 | C22 | C23 | 179.5° | 180.0° |
| O26 | C21 | C22 | O4' | 0.9° | 0.0° |
| C21 | O26 | C27 | H9 | 180.0° | 60.0° |
| C21 | O26 | C27 | H10 | 60.0° | 60.0° |
| C21 | O26 | C27 | H11 | 60.0° | 180.0° |
| O26 | C21 | C20 | H12 | 1.0° | 0.0° |
| C21 | C22 | C23 | O4' | 179.6° | 180.0° |
| C22 | C21 | O26 | C27 | 68.4° | 180.0° |
| C21 | C22 | C23 | H7 | 179.6° | 180.0° |
| C21 | C22 | O4' | H8 | 180.0° | 89.9° |
| C22 | C21 | C20 | H12 | 179.7° | 179.7° |
| C22 | C23 | C24 | H6 | 179.6° | 180.0° |
| C23 | C22 | O4' | H8 | 0.4° | 90.1° |
| O26 | C27 | H9 | H10 | 120.0° | 120.0° |
| O26 | C27 | H9 | H11 | 120.0° | 120.0° |
| O26 | C27 | H10 | H11 | 120.0° | 120.0° |
| O4' | C22 | C23 | H7 | 0.0° | 0.0° |
| H3 | C17 | C18 | H4 | 179.5° | 180.0° |
| H6 | C24 | C23 | H7 | 0.4° | 0.1° |
| H9 | C27 | H10 | H11 | 120.0° | 120.0° |
| H14 | C8 | C7 | H15 | 3.9° | 11.0° |
| H17 | C3O | H18 | H19 | 120.0° | 120.1° |
| H21 | C5 | C6 | H22 | 0.6° | 0.3° |
