CKW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| O4' | C4' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| C5' | C6' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | C1 | sing | 1.51Å | 1.50Å | |
| N2 | C1 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.39Å | Aromatic |
| C1 | N5 | sing | 1.36Å | 1.36Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.31Å | Aromatic |
| N5 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.46Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.50Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C4' | H2 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| O3' | H7 | sing | 0.97Å | 0.95Å | |
| O4' | H8 | sing | 0.97Å | 0.95Å | |
| C6' | H9 | sing | 1.09Å | 1.10Å | |
| C6' | H10 | sing | 1.09Å | 1.10Å | |
| O6' | H11 | sing | 0.97Å | 0.95Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 109.9° | 109.5° |
| O3' | C3' | C2' | 109.6° | 109.6° |
| O3' | C3' | H3 | 109.6° | 109.7° |
| C3' | O3' | H7 | 109.5° | 114.0° |
| O4' | C4' | C3' | 110.2° | 109.6° |
| O4' | C4' | C5' | 109.3° | 109.5° |
| O4' | C4' | H2 | 109.8° | 109.5° |
| C4' | O4' | H8 | 109.5° | 114.1° |
| C4' | C3' | C2' | 111.0° | 109.0° |
| C3' | C4' | C5' | 110.9° | 109.2° |
| C3' | C4' | H2 | 108.5° | 109.5° |
| C4' | C3' | H3 | 108.4° | 109.5° |
| C3' | C2' | O2' | 110.7° | 109.5° |
| C3' | C2' | C1' | 110.3° | 109.2° |
| C2' | C3' | H3 | 108.3° | 109.6° |
| C3' | C2' | H4 | 108.4° | 109.5° |
| C4' | C5' | C6' | 113.8° | 109.5° |
| C4' | C5' | O5' | 109.9° | 109.4° |
| C4' | C5' | H1 | 108.2° | 109.5° |
| C5' | C4' | H2 | 108.1° | 109.5° |
| O2' | C2' | C1' | 109.3° | 109.5° |
| O2' | C2' | H4 | 109.7° | 109.6° |
| C2' | O2' | H6 | 109.5° | 114.0° |
| C2' | C1' | O5' | 109.5° | 109.4° |
| C2' | C1' | C1 | 111.5° | 109.5° |
| C1' | C2' | H4 | 108.4° | 109.6° |
| C2' | C1' | H5 | 108.6° | 109.5° |
| O6' | C6' | C5' | 112.9° | 109.5° |
| O6' | C6' | H9 | 108.6° | 109.5° |
| O6' | C6' | H10 | 108.6° | 109.5° |
| C6' | O6' | H11 | 109.5° | 113.9° |
| C6' | C5' | O5' | 106.6° | 109.5° |
| C6' | C5' | H1 | 108.7° | 109.5° |
| C5' | C6' | H9 | 108.6° | 109.5° |
| C5' | C6' | H10 | 108.6° | 109.5° |
| C5' | O5' | C1' | 112.7° | 114.1° |
| O5' | C5' | H1 | 109.6° | 109.4° |
| O5' | C1' | C1 | 108.4° | 109.5° |
| O5' | C1' | H5 | 109.9° | 109.4° |
| C1' | C1 | N2 | 126.9° | 126.2° |
| C1' | C1 | N5 | 125.3° | 126.3° |
| C1 | C1' | H5 | 109.0° | 109.5° |
| C1 | N2 | N3 | 108.1° | 110.0° |
| N2 | C1 | N5 | 107.8° | 107.5° |
| N2 | N3 | C4 | 107.3° | 109.7° |
| C1 | N5 | C4 | 107.6° | 105.8° |
| C1 | N5 | H12 | 126.2° | 127.1° |
| N3 | C4 | N5 | 109.2° | 107.0° |
| N3 | C4 | C6 | 125.6° | 126.5° |
| N5 | C4 | C6 | 125.2° | 126.5° |
| C4 | N5 | H12 | 126.3° | 127.1° |
| C4 | C6 | C7 | 120.4° | 120.0° |
| C4 | C6 | C11 | 121.2° | 120.0° |
| C7 | C6 | C11 | 118.4° | 120.0° |
| C6 | C7 | C8 | 120.6° | 120.0° |
| C6 | C7 | H13 | 119.7° | 120.0° |
| C6 | C11 | C10 | 120.8° | 120.0° |
| C6 | C11 | H16 | 119.6° | 120.0° |
| C7 | C8 | C9 | 121.8° | 120.0° |
| C8 | C7 | H13 | 119.7° | 120.0° |
| C7 | C8 | H14 | 119.1° | 120.0° |
| C11 | C10 | C9 | 121.5° | 120.1° |
| C11 | C10 | H15 | 119.2° | 120.0° |
| C10 | C11 | H16 | 119.6° | 120.1° |
| C8 | C9 | C10 | 116.9° | 120.0° |
| C8 | C9 | C12 | 121.2° | 120.0° |
| C9 | C8 | H14 | 119.1° | 120.0° |
| C10 | C9 | C12 | 121.9° | 120.0° |
| C9 | C10 | H15 | 119.3° | 120.0° |
| C9 | C12 | C13 | 121.2° | 120.1° |
| C9 | C12 | C17 | 121.7° | 120.1° |
| C13 | C12 | C17 | 117.1° | 119.8° |
| C12 | C13 | C14 | 121.5° | 119.8° |
| C12 | C13 | H17 | 119.3° | 120.1° |
| C12 | C17 | C16 | 121.2° | 119.9° |
| C12 | C17 | H21 | 119.5° | 120.1° |
| C13 | C14 | C15 | 120.1° | 120.2° |
| C14 | C13 | H17 | 119.3° | 120.1° |
| C13 | C14 | H18 | 119.9° | 119.9° |
| C17 | C16 | C15 | 120.4° | 120.2° |
| C17 | C16 | H20 | 119.8° | 119.9° |
| C16 | C17 | H21 | 119.4° | 120.1° |
| C14 | C15 | C16 | 119.7° | 120.2° |
| C15 | C14 | H18 | 119.9° | 119.9° |
| C14 | C15 | H19 | 120.2° | 119.9° |
| C16 | C15 | H19 | 120.1° | 119.9° |
| C15 | C16 | H20 | 119.8° | 119.9° |
| H9 | C6' | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 66.8° | 63.2° |
| O3' | C3' | C4' | C2' | 121.4° | 119.9° |
| O3' | C3' | C4' | H3 | 119.8° | 120.3° |
| O3' | C3' | C2' | H3 | 119.5° | 120.4° |
| O3' | C3' | C4' | C5' | 172.0° | 176.8° |
| O3' | C3' | C2' | O2' | 64.7° | 63.3° |
| O3' | C3' | C2' | C1' | 174.2° | 176.8° |
| O3' | C3' | C4' | H2 | 53.4° | 56.9° |
| O3' | C3' | C2' | H4 | 55.7° | 56.9° |
| O4' | C4' | C3' | C5' | 121.1° | 120.0° |
| O4' | C4' | C3' | H2 | 120.2° | 120.1° |
| O4' | C4' | C3' | C2' | 171.8° | 176.9° |
| O4' | C4' | C5' | H2 | 119.5° | 120.1° |
| O4' | C4' | C5' | C6' | 65.1° | 62.4° |
| O4' | C4' | C5' | O5' | 175.5° | 177.6° |
| O4' | C4' | C5' | H1 | 55.8° | 57.6° |
| O4' | C4' | C3' | H3 | 53.0° | 57.1° |
| C4' | C3' | C2' | H3 | 118.9° | 119.8° |
| C3' | C4' | C5' | H2 | 118.9° | 119.9° |
| C4' | C3' | C2' | O2' | 173.8° | 176.9° |
| C4' | C3' | C2' | C1' | 52.7° | 57.0° |
| C3' | C4' | C5' | C6' | 173.2° | 177.6° |
| C3' | C4' | C5' | O5' | 53.8° | 57.5° |
| C3' | C4' | C5' | H1 | 65.9° | 62.4° |
| C4' | C3' | C2' | H4 | 65.9° | 63.0° |
| C4' | C3' | O3' | H7 | 180.0° | 180.0° |
| C3' | C4' | O4' | H8 | 180.0° | 60.3° |
| C2' | C3' | C4' | C5' | 50.7° | 56.9° |
| C3' | C2' | O2' | C1' | 121.7° | 119.7° |
| C3' | C2' | O2' | H4 | 119.6° | 120.1° |
| C3' | C2' | C1' | H4 | 118.6° | 119.9° |
| C3' | C2' | C1' | O5' | 57.9° | 57.6° |
| C3' | C2' | C1' | C1 | 177.8° | 177.6° |
| C2' | C3' | C4' | H2 | 68.0° | 62.9° |
| C3' | C2' | C1' | H5 | 62.1° | 62.3° |
| C3' | C2' | O2' | H6 | 180.0° | 60.0° |
| C2' | C3' | O3' | H7 | 57.8° | 60.5° |
| C4' | C5' | C6' | O6' | 46.9° | 175.1° |
| C4' | C5' | C6' | O5' | 121.2° | 120.0° |
| C4' | C5' | C6' | H1 | 120.6° | 120.0° |
| C4' | C5' | O5' | H1 | 118.8° | 119.9° |
| C4' | C5' | O5' | C1' | 61.2° | 61.1° |
| C5' | C4' | C3' | H3 | 68.2° | 62.9° |
| C5' | C4' | O4' | H8 | 57.9° | 179.9° |
| C4' | C5' | C6' | H9 | 73.6° | 55.0° |
| C4' | C5' | C6' | H10 | 167.4° | 65.0° |
| O2' | C2' | C1' | H4 | 119.5° | 120.2° |
| O2' | C2' | C1' | O5' | 179.8° | 177.5° |
| O2' | C2' | C1' | C1 | 60.3° | 62.5° |
| O2' | C2' | C3' | H3 | 54.8° | 57.1° |
| O2' | C2' | C1' | H5 | 59.8° | 57.5° |
| C2' | C1' | O5' | C5' | 63.5° | 61.1° |
| C2' | C1' | O5' | C1 | 121.8° | 120.0° |
| C2' | C1' | O5' | H5 | 119.2° | 120.0° |
| C2' | C1' | C1 | H5 | 119.8° | 120.0° |
| C2' | C1' | C1 | N2 | 39.5° | 55.3° |
| C2' | C1' | C1 | N5 | 141.3° | 125.0° |
| C1' | C2' | C3' | H3 | 66.2° | 62.8° |
| C1' | C2' | O2' | H6 | 58.3° | 179.7° |
| O6' | C6' | C5' | H9 | 120.5° | 120.0° |
| O6' | C6' | C5' | H10 | 120.5° | 120.0° |
| O6' | C6' | C5' | O5' | 74.4° | 64.9° |
| O6' | C6' | C5' | H1 | 167.5° | 55.0° |
| O6' | C6' | H9 | H10 | 118.4° | 120.0° |
| C6' | C5' | O5' | H1 | 117.5° | 120.0° |
| C6' | C5' | O5' | C1' | 175.1° | 178.9° |
| C6' | C5' | C4' | H2 | 54.3° | 57.7° |
| C5' | C6' | H9 | H10 | 118.5° | 120.0° |
| C5' | C6' | O6' | H11 | 180.0° | 180.0° |
| C5' | O5' | C1' | C1 | 174.6° | 178.9° |
| O5' | C5' | C4' | H2 | 65.1° | 62.4° |
| C5' | O5' | C1' | H5 | 55.7° | 58.9° |
| O5' | C5' | C6' | H9 | 165.1° | 175.0° |
| O5' | C5' | C6' | H10 | 46.1° | 55.0° |
| O5' | C1' | C1 | H5 | 119.6° | 120.0° |
| O5' | C1' | C1 | N2 | 81.1° | 64.7° |
| O5' | C1' | C1 | N5 | 98.1° | 115.0° |
| C1' | O5' | C5' | H1 | 57.6° | 58.9° |
| O5' | C1' | C2' | H4 | 60.7° | 62.3° |
| C1' | C1 | N2 | N5 | 179.3° | 179.7° |
| C1' | C1 | N2 | N3 | 179.1° | 179.9° |
| C1' | C1 | N5 | C4 | 179.1° | 180.0° |
| C1 | C1' | C2' | H4 | 59.3° | 57.7° |
| C1' | C1 | N5 | H12 | 0.9° | 0.1° |
| C1 | N2 | N3 | C4 | 0.1° | 0.3° |
| N2 | C1 | N5 | C4 | 0.2° | 0.2° |
| N2 | C1 | C1' | H5 | 159.3° | 175.3° |
| N2 | C1 | N5 | H12 | 179.8° | 179.8° |
| N3 | N2 | C1 | N5 | 0.2° | 0.4° |
| N2 | N3 | C4 | N5 | 0.0° | 0.2° |
| N2 | N3 | C4 | C6 | 179.8° | 179.8° |
| C1 | N5 | C4 | N3 | 0.1° | 0.1° |
| C1 | N5 | C4 | H12 | 180.0° | 179.9° |
| C1 | N5 | C4 | C6 | 179.7° | 180.0° |
| N5 | C1 | C1' | H5 | 21.5° | 5.0° |
| N3 | C4 | N5 | C6 | 179.8° | 180.0° |
| N3 | C4 | C6 | C7 | 12.0° | 0.0° |
| N3 | C4 | C6 | C11 | 168.1° | 179.7° |
| N3 | C4 | N5 | H12 | 179.9° | 180.0° |
| N5 | C4 | C6 | C7 | 168.3° | 180.0° |
| N5 | C4 | C6 | C11 | 11.7° | 0.3° |
| C4 | C6 | C7 | C11 | 179.9° | 179.7° |
| C4 | C6 | C7 | C8 | 179.8° | 180.0° |
| C4 | C6 | C11 | C10 | 179.8° | 179.7° |
| C6 | C4 | N5 | H12 | 0.3° | 0.1° |
| C4 | C6 | C7 | H13 | 0.2° | 0.0° |
| C4 | C6 | C11 | H16 | 0.2° | 0.0° |
| C6 | C7 | C8 | H13 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.1° | 0.6° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C6 | C7 | C8 | H14 | 179.5° | 180.0° |
| C7 | C6 | C11 | H16 | 179.9° | 179.7° |
| C11 | C6 | C7 | C8 | 0.1° | 0.3° |
| C6 | C11 | C10 | H16 | 180.0° | 179.8° |
| C6 | C11 | C10 | C9 | 0.4° | 0.6° |
| C11 | C6 | C7 | H13 | 179.9° | 179.7° |
| C6 | C11 | C10 | H15 | 179.5° | 179.7° |
| C7 | C8 | C9 | H14 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.7° | 0.0° |
| C7 | C8 | C9 | C12 | 179.2° | 180.0° |
| C11 | C10 | C9 | C8 | 0.7° | 0.3° |
| C11 | C10 | C9 | H15 | 180.0° | 179.7° |
| C11 | C10 | C9 | C12 | 179.2° | 179.7° |
| C8 | C9 | C10 | C12 | 179.9° | 180.0° |
| C8 | C9 | C12 | C13 | 8.1° | 180.0° |
| C8 | C9 | C12 | C17 | 174.4° | 0.2° |
| C9 | C8 | C7 | H13 | 179.5° | 180.0° |
| C8 | C9 | C10 | H15 | 179.2° | 179.9° |
| C10 | C9 | C12 | C13 | 171.8° | 0.0° |
| C10 | C9 | C12 | C17 | 5.7° | 179.7° |
| C10 | C9 | C8 | H14 | 179.2° | 180.0° |
| C9 | C10 | C11 | H16 | 179.6° | 179.7° |
| C9 | C12 | C13 | C17 | 177.6° | 179.8° |
| C9 | C12 | C13 | C14 | 179.5° | 180.0° |
| C9 | C12 | C17 | C16 | 179.3° | 179.7° |
| C12 | C9 | C8 | H14 | 0.8° | 0.0° |
| C12 | C9 | C10 | H15 | 0.9° | 0.0° |
| C9 | C12 | C13 | H17 | 0.5° | 0.0° |
| C9 | C12 | C17 | H21 | 0.8° | 0.0° |
| C12 | C13 | C14 | H17 | 180.0° | 180.0° |
| C13 | C12 | C17 | C16 | 1.7° | 0.5° |
| C12 | C13 | C14 | C15 | 0.9° | 0.1° |
| C12 | C13 | C14 | H18 | 179.1° | 180.0° |
| C13 | C12 | C17 | H21 | 178.3° | 179.8° |
| C17 | C12 | C13 | C14 | 1.9° | 0.2° |
| C12 | C17 | C16 | H21 | 180.0° | 179.7° |
| C12 | C17 | C16 | C15 | 0.5° | 0.6° |
| C17 | C12 | C13 | H17 | 178.1° | 179.8° |
| C12 | C17 | C16 | H20 | 179.5° | 179.7° |
| C13 | C14 | C15 | H18 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | H19 | 179.6° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.4° |
| C17 | C16 | C15 | H20 | 180.0° | 179.7° |
| C17 | C16 | C15 | H19 | 179.4° | 179.7° |
| C14 | C15 | C16 | H19 | 180.0° | 179.9° |
| C15 | C14 | C13 | H17 | 179.1° | 180.0° |
| C14 | C15 | C16 | H20 | 179.4° | 180.0° |
| C16 | C15 | C14 | H18 | 179.6° | 179.9° |
| C15 | C16 | C17 | H21 | 179.5° | 179.7° |
| H1 | C5' | C4' | H2 | 175.3° | 177.7° |
| H1 | C5' | C6' | H9 | 47.0° | 65.0° |
| H1 | C5' | C6' | H10 | 72.0° | 175.0° |
| H2 | C4' | C3' | H3 | 173.2° | 177.2° |
| H2 | C4' | O4' | H8 | 60.5° | 59.8° |
| H3 | C3' | C2' | H4 | 175.2° | 177.2° |
| H3 | C3' | O3' | H7 | 60.9° | 59.9° |
| H4 | C2' | C1' | H5 | 179.3° | 177.7° |
| H4 | C2' | O2' | H6 | 60.4° | 60.1° |
| H9 | C6' | O6' | H11 | 59.5° | 60.0° |
| H10 | C6' | O6' | H11 | 59.5° | 60.0° |
| H13 | C7 | C8 | H14 | 0.5° | 0.0° |
| H15 | C10 | C11 | H16 | 0.5° | 0.1° |
| H17 | C13 | C14 | H18 | 0.9° | 0.0° |
| H18 | C14 | C15 | H19 | 0.3° | 0.0° |
| H19 | C15 | C16 | H20 | 0.6° | 0.0° |
| H20 | C16 | C17 | H21 | 0.5° | 0.0° |
