KS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| O4' | C4' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C1' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | C1 | sing | 1.51Å | 1.48Å | |
| N2 | C1 | doub | 1.31Å | 1.35Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.40Å | Aromatic |
| C1 | N5 | sing | 1.36Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| N5 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.52Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| O4' | H4 | sing | 0.97Å | 0.95Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 109.4° | 109.5° |
| O3' | C3' | C2' | 111.4° | 109.6° |
| C3' | O3' | H1 | 109.5° | 114.0° |
| O3' | C3' | H2 | 109.6° | 109.6° |
| O4' | C4' | C3' | 109.0° | 109.6° |
| O4' | C4' | C5' | 111.1° | 109.5° |
| O4' | C4' | H3 | 108.6° | 109.6° |
| C4' | O4' | H4 | 109.5° | 114.0° |
| C4' | C3' | C2' | 109.7° | 109.1° |
| C3' | C4' | C5' | 113.2° | 109.1° |
| C4' | C3' | H2 | 108.5° | 109.5° |
| C3' | C4' | H3 | 107.5° | 109.5° |
| C3' | C2' | O2' | 111.1° | 109.5° |
| C3' | C2' | C1' | 110.9° | 109.2° |
| C2' | C3' | H2 | 108.2° | 109.6° |
| C3' | C2' | H5 | 107.2° | 109.5° |
| C4' | C5' | C6' | 113.1° | 109.5° |
| C4' | C5' | O5' | 110.6° | 109.4° |
| C5' | C4' | H3 | 107.2° | 109.5° |
| C4' | C5' | H8 | 107.5° | 109.5° |
| O2' | C2' | C1' | 111.5° | 109.5° |
| O2' | C2' | H5 | 108.5° | 109.6° |
| C2' | O2' | H6 | 109.5° | 114.0° |
| C2' | C1' | O5' | 109.0° | 109.4° |
| C2' | C1' | C1 | 112.0° | 109.5° |
| C1' | C2' | H5 | 107.4° | 109.5° |
| C2' | C1' | H7 | 109.5° | 109.5° |
| O6' | C6' | C5' | 112.0° | 109.5° |
| O6' | C6' | H9 | 108.8° | 109.5° |
| O6' | C6' | H10 | 108.8° | 109.5° |
| C6' | O6' | H11 | 109.5° | 113.9° |
| C6' | C5' | O5' | 109.2° | 109.5° |
| C6' | C5' | H8 | 107.7° | 109.4° |
| C5' | C6' | H9 | 108.8° | 109.5° |
| C5' | C6' | H10 | 108.8° | 109.5° |
| C5' | O5' | C1' | 111.1° | 114.1° |
| O5' | C5' | H8 | 108.7° | 109.5° |
| O5' | C1' | C1 | 105.2° | 109.5° |
| O5' | C1' | H7 | 110.9° | 109.5° |
| C1' | C1 | N2 | 123.2° | 126.3° |
| C1' | C1 | N5 | 127.7° | 126.3° |
| C1 | C1' | H7 | 110.2° | 109.5° |
| C1 | N2 | N3 | 107.9° | 110.0° |
| N2 | C1 | N5 | 109.0° | 107.4° |
| N2 | N3 | C4 | 105.8° | 109.7° |
| C1 | N5 | C4 | 107.2° | 105.8° |
| C1 | N5 | H12 | 126.4° | 127.1° |
| N3 | C4 | N5 | 110.1° | 107.0° |
| N3 | C4 | C6 | 123.7° | 126.5° |
| N5 | C4 | C6 | 126.2° | 126.5° |
| C4 | N5 | H12 | 126.4° | 127.1° |
| C4 | C6 | C7 | 119.6° | 120.2° |
| C4 | C6 | C11 | 118.8° | 120.1° |
| C7 | C6 | C11 | 121.6° | 119.7° |
| C6 | C7 | C8 | 117.9° | 119.8° |
| C6 | C7 | H19 | 121.0° | 120.1° |
| C6 | C11 | C10 | 120.1° | 119.9° |
| C6 | C11 | H13 | 120.0° | 120.1° |
| C7 | C8 | C9 | 120.3° | 120.2° |
| C7 | C8 | H18 | 119.8° | 119.9° |
| C8 | C7 | H19 | 121.1° | 120.1° |
| C11 | C10 | C9 | 118.5° | 120.1° |
| C10 | C11 | H13 | 120.0° | 120.1° |
| C11 | C10 | H14 | 120.8° | 119.9° |
| C8 | C9 | C10 | 121.5° | 120.3° |
| C8 | C9 | C12 | 120.4° | 119.8° |
| C9 | C8 | H18 | 119.8° | 119.9° |
| C10 | C9 | C12 | 118.1° | 119.9° |
| C9 | C10 | H14 | 120.8° | 120.0° |
| C9 | C12 | H15 | 109.5° | 109.4° |
| C9 | C12 | H16 | 109.5° | 109.5° |
| C9 | C12 | H17 | 109.4° | 109.4° |
| H9 | C6' | H10 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 66.1° | 63.3° |
| O3' | C3' | C4' | C2' | 122.5° | 119.9° |
| O3' | C3' | C4' | H2 | 119.5° | 120.2° |
| O3' | C3' | C2' | H2 | 120.5° | 120.2° |
| O3' | C3' | C4' | C5' | 169.7° | 176.9° |
| O3' | C3' | C2' | O2' | 62.8° | 63.2° |
| O3' | C3' | C2' | C1' | 172.6° | 176.9° |
| O3' | C3' | C4' | H3 | 51.5° | 57.0° |
| O3' | C3' | C2' | H5 | 55.7° | 57.0° |
| O4' | C4' | C3' | C5' | 124.2° | 119.9° |
| O4' | C4' | C3' | H3 | 117.6° | 120.3° |
| O4' | C4' | C3' | C2' | 171.4° | 176.8° |
| O4' | C4' | C5' | H3 | 118.6° | 120.2° |
| O4' | C4' | C5' | C6' | 62.3° | 62.5° |
| O4' | C4' | C5' | O5' | 174.9° | 177.5° |
| O4' | C4' | C3' | H2 | 53.4° | 56.9° |
| O4' | C4' | C5' | H8 | 56.5° | 57.5° |
| C4' | C3' | C2' | H2 | 118.2° | 119.9° |
| C3' | C4' | C5' | H3 | 118.4° | 119.9° |
| C4' | C3' | C2' | O2' | 175.9° | 176.9° |
| C4' | C3' | C2' | C1' | 51.3° | 57.0° |
| C3' | C4' | C5' | C6' | 174.7° | 177.6° |
| C3' | C4' | C5' | O5' | 51.8° | 57.6° |
| C4' | C3' | O3' | H1 | 180.0° | 180.0° |
| C3' | C4' | O4' | H4 | 180.0° | 60.0° |
| C4' | C3' | C2' | H5 | 65.6° | 62.9° |
| C3' | C4' | C5' | H8 | 66.6° | 62.4° |
| C2' | C3' | C4' | C5' | 47.2° | 57.0° |
| C3' | C2' | O2' | C1' | 124.3° | 119.7° |
| C3' | C2' | O2' | H5 | 117.6° | 120.1° |
| C3' | C2' | C1' | H5 | 116.8° | 119.9° |
| C3' | C2' | C1' | O5' | 60.5° | 57.6° |
| C3' | C2' | C1' | C1 | 176.4° | 177.6° |
| C2' | C3' | O3' | H1 | 58.5° | 60.4° |
| C2' | C3' | C4' | H3 | 71.0° | 62.9° |
| C3' | C2' | O2' | H6 | 180.0° | 59.9° |
| C3' | C2' | C1' | H7 | 61.0° | 62.4° |
| C4' | C5' | C6' | O6' | 49.7° | 175.0° |
| C4' | C5' | C6' | O5' | 123.6° | 119.9° |
| C4' | C5' | C6' | H8 | 118.6° | 120.0° |
| C4' | C5' | O5' | H8 | 117.7° | 120.1° |
| C4' | C5' | O5' | C1' | 60.7° | 61.2° |
| C5' | C4' | C3' | H2 | 70.8° | 63.0° |
| C5' | C4' | O4' | H4 | 54.5° | 179.6° |
| C4' | C5' | C6' | H9 | 70.7° | 55.0° |
| C4' | C5' | C6' | H10 | 170.0° | 65.0° |
| O2' | C2' | C1' | H5 | 118.8° | 120.2° |
| O2' | C2' | C1' | O5' | 175.1° | 177.5° |
| O2' | C2' | C1' | C1 | 59.2° | 62.5° |
| O2' | C2' | C3' | H2 | 57.7° | 57.0° |
| O2' | C2' | C1' | H7 | 63.4° | 57.5° |
| C2' | C1' | O5' | C5' | 65.5° | 61.1° |
| C2' | C1' | O5' | C1 | 120.2° | 120.0° |
| C2' | C1' | O5' | H7 | 120.7° | 120.0° |
| C2' | C1' | C1 | H7 | 122.2° | 120.0° |
| C2' | C1' | C1 | N2 | 38.5° | 55.4° |
| C2' | C1' | C1 | N5 | 144.0° | 125.0° |
| C1' | C2' | C3' | H2 | 66.9° | 62.9° |
| C1' | C2' | O2' | H6 | 55.7° | 179.7° |
| O6' | C6' | C5' | H9 | 120.4° | 120.0° |
| O6' | C6' | C5' | H10 | 120.4° | 120.0° |
| O6' | C6' | C5' | O5' | 73.9° | 65.0° |
| O6' | C6' | C5' | H8 | 168.3° | 55.0° |
| O6' | C6' | H9 | H10 | 118.8° | 120.0° |
| C6' | C5' | O5' | H8 | 117.3° | 120.0° |
| C6' | C5' | O5' | C1' | 174.2° | 178.8° |
| C6' | C5' | C4' | H3 | 56.2° | 57.7° |
| C5' | C6' | H9 | H10 | 118.8° | 120.0° |
| C5' | C6' | O6' | H11 | 180.0° | 180.0° |
| C5' | O5' | C1' | C1 | 174.3° | 178.9° |
| O5' | C5' | C4' | H3 | 66.6° | 62.3° |
| C5' | O5' | C1' | H7 | 55.2° | 58.8° |
| O5' | C5' | C6' | H9 | 165.7° | 174.9° |
| O5' | C5' | C6' | H10 | 46.5° | 55.0° |
| O5' | C1' | C1 | H7 | 119.6° | 120.0° |
| O5' | C1' | C1 | N2 | 79.7° | 64.6° |
| O5' | C1' | C1 | N5 | 97.7° | 115.0° |
| O5' | C1' | C2' | H5 | 56.3° | 62.3° |
| C1' | O5' | C5' | H8 | 57.0° | 58.9° |
| C1' | C1 | N2 | N5 | 177.9° | 179.6° |
| C1' | C1 | N2 | N3 | 177.0° | 179.9° |
| C1' | C1 | N5 | C4 | 177.0° | 179.9° |
| C1 | C1' | C2' | H5 | 59.6° | 57.7° |
| C1' | C1 | N5 | H12 | 2.9° | 0.1° |
| C1 | N2 | N3 | C4 | 0.6° | 0.4° |
| N2 | C1 | N5 | C4 | 0.7° | 0.3° |
| N2 | C1 | C1' | H7 | 160.7° | 175.4° |
| N2 | C1 | N5 | H12 | 179.3° | 179.7° |
| N3 | N2 | C1 | N5 | 0.8° | 0.5° |
| N2 | N3 | C4 | N5 | 0.2° | 0.3° |
| N2 | N3 | C4 | C6 | 177.7° | 179.7° |
| C1 | N5 | C4 | N3 | 0.3° | 0.0° |
| C1 | N5 | C4 | H12 | 180.0° | 180.0° |
| C1 | N5 | C4 | C6 | 178.1° | 180.0° |
| N5 | C1 | C1' | H7 | 21.9° | 5.0° |
| N3 | C4 | N5 | C6 | 177.8° | 180.0° |
| N3 | C4 | C6 | C7 | 7.5° | 0.0° |
| N3 | C4 | C6 | C11 | 171.9° | 179.8° |
| N3 | C4 | N5 | H12 | 179.7° | 180.0° |
| N5 | C4 | C6 | C7 | 170.1° | 180.0° |
| N5 | C4 | C6 | C11 | 10.5° | 0.2° |
| C4 | C6 | C7 | C11 | 179.3° | 179.8° |
| C4 | C6 | C7 | C8 | 179.1° | 179.7° |
| C4 | C6 | C11 | C10 | 179.6° | 180.0° |
| C6 | C4 | N5 | H12 | 1.9° | 0.0° |
| C4 | C6 | C11 | H13 | 0.4° | 0.0° |
| C4 | C6 | C7 | H19 | 0.9° | 0.0° |
| C6 | C7 | C8 | H19 | 180.0° | 179.8° |
| C7 | C6 | C11 | C10 | 1.0° | 0.2° |
| C6 | C7 | C8 | C9 | 1.3° | 0.5° |
| C7 | C6 | C11 | H13 | 179.0° | 179.8° |
| C6 | C7 | C8 | H18 | 178.7° | 179.8° |
| C11 | C6 | C7 | C8 | 1.6° | 0.5° |
| C6 | C11 | C10 | H13 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.1° | 0.1° |
| C6 | C11 | C10 | H14 | 179.9° | 180.0° |
| C11 | C6 | C7 | H19 | 178.4° | 179.8° |
| C7 | C8 | C9 | H18 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.4° | 0.2° |
| C7 | C8 | C9 | C12 | 179.6° | 179.8° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C11 | C10 | C9 | H14 | 180.0° | 180.0° |
| C11 | C10 | C9 | C12 | 179.8° | 179.9° |
| C8 | C9 | C10 | C12 | 180.0° | 180.0° |
| C8 | C9 | C10 | H14 | 179.7° | 180.0° |
| C8 | C9 | C12 | H15 | 90.0° | 90.0° |
| C8 | C9 | C12 | H16 | 150.0° | 30.0° |
| C8 | C9 | C12 | H17 | 30.0° | 150.0° |
| C9 | C8 | C7 | H19 | 178.7° | 179.8° |
| C9 | C10 | C11 | H13 | 179.9° | 180.0° |
| C10 | C9 | C12 | H15 | 90.0° | 90.0° |
| C10 | C9 | C12 | H16 | 30.0° | 150.0° |
| C10 | C9 | C12 | H17 | 150.0° | 29.9° |
| C10 | C9 | C8 | H18 | 179.6° | 180.0° |
| C12 | C9 | C10 | H14 | 0.2° | 0.0° |
| C9 | C12 | H15 | H16 | 120.0° | 120.0° |
| C9 | C12 | H15 | H17 | 120.0° | 119.9° |
| C9 | C12 | H16 | H17 | 120.0° | 120.0° |
| C12 | C9 | C8 | H18 | 0.4° | 0.1° |
| H1 | O3' | C3' | H2 | 61.1° | 59.8° |
| H2 | C3' | C4' | H3 | 171.0° | 177.2° |
| H2 | C3' | C2' | H5 | 176.2° | 177.2° |
| H3 | C4' | O4' | H4 | 63.1° | 60.2° |
| H3 | C4' | C5' | H8 | 175.0° | 177.7° |
| H5 | C2' | O2' | H6 | 62.4° | 60.2° |
| H5 | C2' | C1' | H7 | 177.8° | 177.7° |
| H8 | C5' | C6' | H9 | 47.9° | 65.0° |
| H8 | C5' | C6' | H10 | 71.4° | 175.0° |
| H9 | C6' | O6' | H11 | 59.6° | 60.0° |
| H10 | C6' | O6' | H11 | 59.6° | 60.0° |
| H13 | C11 | C10 | H14 | 0.1° | 0.0° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H18 | C8 | C7 | H19 | 1.3° | 0.0° |
