KS3
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 | 1.42Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | C2' | sing | 1.53Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| O6' | C6' | sing | 1.43Å | 1.42Å | |
| C5' | C6' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C1' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | C1 | sing | 1.51Å | 1.48Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | N5 | doub | 1.31Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| N5 | C4 | sing | 1.34Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C12 | doub | 1.41Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.47Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.40Å | Aromatic |
| O6' | H1 | sing | 0.97Å | 0.95Å | |
| C6' | H2 | sing | 1.09Å | 1.10Å | |
| C6' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| O4' | H6 | sing | 0.97Å | 0.95Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| O2' | H9 | sing | 0.97Å | 0.95Å | |
| C3' | H10 | sing | 1.09Å | 1.10Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 112.1° | 109.6° |
| O3' | C3' | C2' | 114.4° | 109.5° |
| O3' | C3' | H10 | 107.2° | 109.7° |
| C3' | O3' | H11 | 109.5° | 114.1° |
| O4' | C4' | C3' | 115.3° | 109.5° |
| O4' | C4' | C5' | 116.6° | 109.5° |
| O4' | C4' | H5 | 101.0° | 109.5° |
| C4' | O4' | H6 | 109.5° | 114.0° |
| C4' | C3' | C2' | 110.3° | 109.0° |
| C3' | C4' | C5' | 118.4° | 109.2° |
| C3' | C4' | H5 | 100.3° | 109.5° |
| C4' | C3' | H10 | 106.2° | 109.5° |
| C3' | C2' | O2' | 106.4° | 109.6° |
| C3' | C2' | C1' | 109.9° | 109.1° |
| C3' | C2' | H8 | 109.4° | 109.5° |
| C2' | C3' | H10 | 106.1° | 109.5° |
| C4' | C5' | C6' | 113.4° | 109.5° |
| C4' | C5' | O5' | 110.6° | 109.4° |
| C4' | C5' | H4 | 106.8° | 109.5° |
| C5' | C4' | H5 | 100.1° | 109.5° |
| O2' | C2' | C1' | 111.1° | 109.6° |
| O2' | C2' | H8 | 110.6° | 109.6° |
| C2' | O2' | H9 | 109.5° | 114.1° |
| C2' | C1' | O5' | 109.4° | 109.5° |
| C2' | C1' | C1 | 110.7° | 109.4° |
| C2' | C1' | H7 | 109.5° | 109.5° |
| C1' | C2' | H8 | 109.3° | 109.5° |
| O6' | C6' | C5' | 110.0° | 109.5° |
| C6' | O6' | H1 | 109.5° | 114.0° |
| O6' | C6' | H2 | 109.3° | 109.5° |
| O6' | C6' | H3 | 109.3° | 109.4° |
| C6' | C5' | O5' | 110.8° | 109.5° |
| C5' | C6' | H2 | 109.3° | 109.5° |
| C5' | C6' | H3 | 109.3° | 109.5° |
| C6' | C5' | H4 | 106.8° | 109.5° |
| C5' | O5' | C1' | 111.6° | 114.1° |
| O5' | C5' | H4 | 108.2° | 109.5° |
| O5' | C1' | C1 | 106.1° | 109.5° |
| O5' | C1' | H7 | 110.9° | 109.5° |
| C1' | C1 | N2 | 124.4° | 125.8° |
| C1' | C1 | N5 | 127.9° | 125.9° |
| C1 | C1' | H7 | 110.3° | 109.5° |
| C1 | N2 | N3 | 110.3° | 106.5° |
| N2 | C1 | N5 | 107.7° | 108.3° |
| C1 | N2 | H12 | 124.9° | 126.8° |
| N2 | N3 | C4 | 104.6° | 106.7° |
| N3 | N2 | H12 | 124.9° | 126.7° |
| C1 | N5 | C4 | 106.8° | 109.8° |
| N3 | C4 | N5 | 110.6° | 108.7° |
| N3 | C4 | C6 | 122.7° | 125.7° |
| N5 | C4 | C6 | 126.6° | 125.6° |
| C4 | C6 | C7 | 118.5° | 119.7° |
| C4 | C6 | C11 | 119.3° | 119.7° |
| C7 | C6 | C11 | 122.1° | 120.6° |
| C6 | C7 | C8 | 117.9° | 119.5° |
| C6 | C7 | H13 | 121.1° | 120.3° |
| C6 | C11 | C10 | 121.3° | 120.9° |
| C6 | C11 | H19 | 119.3° | 119.5° |
| C7 | C8 | C12 | 119.6° | 121.1° |
| C7 | C8 | C9 | 120.3° | 119.5° |
| C8 | C7 | H13 | 121.1° | 120.2° |
| C11 | C10 | C9 | 118.2° | 120.0° |
| C11 | C10 | H18 | 120.9° | 120.1° |
| C10 | C11 | H19 | 119.4° | 119.6° |
| C12 | C8 | C9 | 120.1° | 119.4° |
| C8 | C12 | C13 | 119.3° | 119.6° |
| C8 | C12 | H14 | 120.3° | 120.2° |
| C8 | C9 | C10 | 120.2° | 119.6° |
| C8 | C9 | C15 | 119.4° | 119.3° |
| C12 | C13 | C14 | 121.0° | 121.0° |
| C13 | C12 | H14 | 120.4° | 120.2° |
| C12 | C13 | H15 | 119.5° | 119.5° |
| C10 | C9 | C15 | 120.4° | 121.1° |
| C9 | C10 | H18 | 120.9° | 119.9° |
| C9 | C15 | C14 | 118.3° | 119.7° |
| C9 | C15 | H17 | 120.9° | 120.2° |
| C13 | C14 | C15 | 121.9° | 121.0° |
| C14 | C13 | H15 | 119.5° | 119.5° |
| C13 | C14 | H16 | 119.1° | 119.5° |
| C15 | C14 | H16 | 119.0° | 119.4° |
| C14 | C15 | H17 | 120.8° | 120.2° |
| H2 | C6' | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 48.3° | 63.2° |
| O3' | C3' | C4' | C2' | 128.8° | 119.9° |
| O3' | C3' | C4' | H10 | 116.7° | 120.3° |
| O3' | C3' | C2' | H10 | 117.9° | 120.3° |
| O3' | C3' | C4' | C5' | 166.7° | 176.9° |
| O3' | C3' | C2' | O2' | 65.7° | 63.2° |
| O3' | C3' | C2' | C1' | 173.9° | 176.8° |
| O3' | C3' | C4' | H5 | 59.1° | 56.9° |
| O3' | C3' | C2' | H8 | 53.8° | 57.0° |
| O4' | C4' | C3' | C5' | 145.0° | 120.0° |
| O4' | C4' | C3' | H5 | 107.4° | 120.1° |
| O4' | C4' | C3' | C2' | 177.1° | 176.9° |
| O4' | C4' | C5' | H5 | 107.8° | 120.1° |
| O4' | C4' | C5' | C6' | 48.4° | 62.4° |
| O4' | C4' | C5' | O5' | 173.6° | 177.6° |
| O4' | C4' | C5' | H4 | 68.9° | 57.6° |
| O4' | C4' | C3' | H10 | 68.4° | 57.1° |
| C4' | C3' | C2' | H10 | 114.6° | 119.8° |
| C3' | C4' | C5' | H5 | 107.6° | 119.9° |
| C4' | C3' | C2' | O2' | 166.8° | 176.9° |
| C4' | C3' | C2' | C1' | 46.4° | 56.9° |
| C3' | C4' | C5' | C6' | 167.0° | 177.6° |
| C3' | C4' | C5' | O5' | 41.8° | 57.6° |
| C3' | C4' | C5' | H4 | 75.7° | 62.3° |
| C3' | C4' | O4' | H6 | 180.0° | 60.2° |
| C4' | C3' | C2' | H8 | 73.7° | 62.9° |
| C4' | C3' | O3' | H11 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 37.9° | 57.0° |
| C3' | C2' | O2' | C1' | 119.6° | 119.7° |
| C3' | C2' | O2' | H8 | 118.8° | 120.1° |
| C3' | C2' | C1' | H8 | 120.1° | 119.8° |
| C3' | C2' | C1' | O5' | 62.6° | 57.6° |
| C3' | C2' | C1' | C1 | 179.2° | 177.6° |
| C2' | C3' | C4' | H5 | 69.6° | 63.0° |
| C3' | C2' | C1' | H7 | 59.0° | 62.4° |
| C3' | C2' | O2' | H9 | 180.0° | 60.3° |
| C2' | C3' | O3' | H11 | 53.4° | 60.4° |
| C4' | C5' | C6' | O6' | 56.5° | 175.1° |
| C4' | C5' | C6' | O5' | 125.1° | 119.9° |
| C4' | C5' | C6' | H4 | 117.3° | 120.0° |
| C4' | C5' | O5' | H4 | 116.6° | 120.0° |
| C4' | C5' | O5' | C1' | 55.8° | 61.1° |
| C4' | C5' | C6' | H2 | 63.5° | 64.9° |
| C4' | C5' | C6' | H3 | 176.6° | 55.1° |
| C5' | C4' | O4' | H6 | 34.4° | 180.0° |
| C5' | C4' | C3' | H10 | 76.6° | 62.8° |
| O2' | C2' | C1' | H8 | 122.4° | 120.2° |
| O2' | C2' | C1' | O5' | 179.8° | 177.6° |
| O2' | C2' | C1' | C1 | 63.3° | 62.4° |
| O2' | C2' | C1' | H7 | 58.5° | 57.5° |
| O2' | C2' | C3' | H10 | 52.2° | 57.1° |
| C2' | C1' | O5' | C5' | 68.5° | 61.2° |
| C2' | C1' | O5' | C1 | 119.4° | 120.0° |
| C2' | C1' | O5' | H7 | 120.8° | 120.0° |
| C2' | C1' | C1 | H7 | 121.3° | 120.0° |
| C2' | C1' | C1 | N2 | 37.1° | 125.3° |
| C2' | C1' | C1 | N5 | 144.3° | 55.0° |
| C1' | C2' | O2' | H9 | 60.5° | 180.0° |
| C1' | C2' | C3' | H10 | 68.2° | 62.9° |
| O6' | C6' | C5' | H2 | 120.1° | 120.0° |
| O6' | C6' | C5' | H3 | 120.1° | 120.0° |
| O6' | C6' | C5' | O5' | 68.5° | 65.0° |
| O6' | C6' | H2 | H3 | 119.7° | 120.0° |
| O6' | C6' | C5' | H4 | 173.8° | 55.0° |
| C6' | C5' | O5' | H4 | 116.8° | 120.1° |
| C6' | C5' | O5' | C1' | 177.6° | 178.9° |
| C5' | C6' | O6' | H1 | 180.0° | 180.0° |
| C5' | C6' | H2 | H3 | 119.7° | 120.1° |
| C6' | C5' | C4' | H5 | 59.4° | 57.7° |
| C5' | O5' | C1' | C1 | 172.0° | 178.9° |
| O5' | C5' | C6' | H2 | 171.4° | 55.0° |
| O5' | C5' | C6' | H3 | 51.6° | 175.0° |
| O5' | C5' | C4' | H5 | 65.8° | 62.3° |
| C5' | O5' | C1' | H7 | 52.3° | 58.8° |
| O5' | C1' | C1 | H7 | 120.1° | 120.0° |
| O5' | C1' | C1 | N2 | 81.5° | 114.7° |
| O5' | C1' | C1 | N5 | 97.1° | 65.0° |
| C1' | O5' | C5' | H4 | 60.8° | 58.8° |
| O5' | C1' | C2' | H8 | 57.5° | 62.2° |
| C1' | C1 | N2 | N5 | 178.8° | 179.7° |
| C1' | C1 | N2 | N3 | 178.4° | 180.0° |
| C1' | C1 | N5 | C4 | 179.4° | 179.9° |
| C1 | C1' | C2' | H8 | 59.1° | 57.8° |
| C1' | C1 | N2 | H12 | 1.6° | 0.0° |
| C1 | N2 | N3 | H12 | 180.0° | 180.0° |
| C1 | N2 | N3 | C4 | 1.3° | 0.0° |
| N2 | C1 | N5 | C4 | 0.7° | 0.4° |
| N2 | C1 | C1' | H7 | 158.4° | 5.3° |
| N3 | N2 | C1 | N5 | 0.3° | 0.2° |
| N2 | N3 | C4 | N5 | 1.7° | 0.2° |
| N2 | N3 | C4 | C6 | 178.3° | 179.9° |
| C1 | N5 | C4 | N3 | 1.5° | 0.4° |
| C1 | N5 | C4 | C6 | 178.0° | 179.8° |
| N5 | C1 | C1' | H7 | 23.1° | 175.0° |
| N5 | C1 | N2 | H12 | 179.6° | 179.7° |
| N3 | C4 | N5 | C6 | 176.5° | 179.8° |
| N3 | C4 | C6 | C7 | 13.2° | 0.0° |
| N3 | C4 | C6 | C11 | 162.6° | 179.7° |
| C4 | N3 | N2 | H12 | 178.7° | 180.0° |
| N5 | C4 | C6 | C7 | 170.8° | 179.7° |
| N5 | C4 | C6 | C11 | 13.4° | 0.1° |
| C4 | C6 | C7 | C11 | 175.7° | 179.7° |
| C4 | C6 | C7 | C8 | 179.5° | 180.0° |
| C4 | C6 | C11 | C10 | 179.5° | 179.8° |
| C4 | C6 | C7 | H13 | 0.5° | 0.0° |
| C4 | C6 | C11 | H19 | 0.6° | 0.1° |
| C6 | C7 | C8 | H13 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 3.8° | 0.6° |
| C6 | C7 | C8 | C12 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 2.4° | 0.0° |
| C7 | C6 | C11 | H19 | 176.2° | 179.8° |
| C11 | C6 | C7 | C8 | 3.8° | 0.3° |
| C6 | C11 | C10 | H19 | 180.0° | 179.7° |
| C6 | C11 | C10 | C9 | 2.1° | 0.5° |
| C11 | C6 | C7 | H13 | 176.2° | 179.7° |
| C6 | C11 | C10 | H18 | 177.9° | 179.7° |
| C7 | C8 | C12 | C9 | 177.9° | 179.9° |
| C7 | C8 | C12 | C13 | 177.3° | 180.0° |
| C7 | C8 | C9 | C10 | 1.0° | 0.0° |
| C7 | C8 | C9 | C15 | 177.6° | 180.0° |
| C7 | C8 | C12 | H14 | 2.7° | 0.0° |
| C11 | C10 | C9 | C8 | 0.8° | 0.3° |
| C11 | C10 | C9 | H18 | 180.0° | 179.8° |
| C11 | C10 | C9 | C15 | 177.8° | 179.7° |
| C8 | C12 | C13 | H14 | 180.0° | 180.0° |
| C12 | C8 | C9 | C10 | 178.9° | 179.9° |
| C12 | C8 | C9 | C15 | 0.2° | 0.0° |
| C8 | C12 | C13 | C14 | 0.5° | 0.0° |
| C12 | C8 | C7 | H13 | 0.3° | 0.0° |
| C8 | C12 | C13 | H15 | 179.5° | 180.0° |
| C9 | C8 | C12 | C13 | 0.6° | 0.0° |
| C8 | C9 | C10 | C15 | 178.6° | 180.0° |
| C8 | C9 | C15 | C14 | 0.3° | 0.0° |
| C9 | C8 | C7 | H13 | 177.6° | 180.0° |
| C9 | C8 | C12 | H14 | 179.4° | 180.0° |
| C8 | C9 | C15 | H17 | 179.7° | 179.9° |
| C8 | C9 | C10 | H18 | 179.2° | 180.0° |
| C12 | C13 | C14 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H16 | 179.9° | 179.9° |
| C10 | C9 | C15 | C14 | 178.4° | 180.0° |
| C10 | C9 | C15 | H17 | 1.6° | 0.1° |
| C9 | C10 | C11 | H19 | 177.9° | 179.8° |
| C9 | C15 | C14 | C13 | 0.4° | 0.0° |
| C9 | C15 | C14 | H17 | 180.0° | 179.9° |
| C9 | C15 | C14 | H16 | 179.6° | 179.9° |
| C15 | C9 | C10 | H18 | 2.2° | 0.1° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | H14 | 179.6° | 180.0° |
| C13 | C14 | C15 | H17 | 179.6° | 179.9° |
| C15 | C14 | C13 | H15 | 180.0° | 180.0° |
| H1 | O6' | C6' | H2 | 59.9° | 60.0° |
| H1 | O6' | C6' | H3 | 59.9° | 60.0° |
| H2 | C6' | C5' | H4 | 53.8° | 175.0° |
| H3 | C6' | C5' | H4 | 66.1° | 65.0° |
| H4 | C5' | C4' | H5 | 176.7° | 177.7° |
| H5 | C4' | O4' | H6 | 73.0° | 59.9° |
| H5 | C4' | C3' | H10 | 175.8° | 177.2° |
| H7 | C1' | C2' | H8 | 179.1° | 177.8° |
| H8 | C2' | O2' | H9 | 61.2° | 59.8° |
| H8 | C2' | C3' | H10 | 171.7° | 177.3° |
| H10 | C3' | O3' | H11 | 63.9° | 59.8° |
| H14 | C12 | C13 | H15 | 0.5° | 0.0° |
| H15 | C13 | C14 | H16 | 0.0° | 0.1° |
| H16 | C14 | C15 | H17 | 0.4° | 0.0° |
| H18 | C10 | C11 | H19 | 2.1° | 0.0° |
