XYB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| O5' | C1' | sing | 1.43Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O1' | C1' | sing | 1.43Å | 1.44Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| O4' | C1 | sing | 1.43Å | 1.44Å | |
| O4' | C4' | sing | 1.43Å | 1.43Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C1' | H13 | sing | 1.09Å | 1.10Å | |
| O1' | H14 | sing | 0.97Å | 0.95Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| C3' | H17 | sing | 1.09Å | 1.10Å | |
| O3' | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 107.5° | 109.5° |
| O3 | C3 | C2 | 108.8° | 109.5° |
| O3 | C3 | H3 | 109.8° | 109.7° |
| C3 | O3 | H8 | 109.5° | 114.0° |
| C4 | C3 | C2 | 113.6° | 109.0° |
| C3 | C4 | O4 | 109.3° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.2° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C3 | C4 | H4 | 109.7° | 109.5° |
| C3 | C2 | O2 | 110.2° | 109.5° |
| C3 | C2 | C1 | 114.5° | 109.2° |
| C3 | C2 | H2 | 107.0° | 109.6° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| O4 | C4 | C5 | 107.6° | 109.5° |
| O4 | C4 | H4 | 110.9° | 109.5° |
| C4 | O4 | H9 | 109.5° | 114.0° |
| C4 | C5 | O5 | 105.0° | 109.4° |
| C5 | C4 | H4 | 109.7° | 109.6° |
| C4 | C5 | H5 | 110.6° | 109.5° |
| C4 | C5 | H6 | 110.6° | 109.5° |
| C5' | O5' | C1' | 111.9° | 114.2° |
| O5' | C5' | C4' | 109.7° | 109.4° |
| O5' | C5' | H11 | 109.4° | 109.5° |
| O5' | C5' | H12 | 109.4° | 109.5° |
| O5' | C1' | O1' | 109.7° | 109.5° |
| O5' | C1' | C2' | 110.5° | 109.4° |
| O5' | C1' | H13 | 109.0° | 109.4° |
| O2 | C2 | C1 | 109.8° | 109.5° |
| O2 | C2 | H2 | 108.1° | 109.5° |
| C2 | O2 | H7 | 109.5° | 114.0° |
| C2 | C1 | O4' | 111.3° | 109.5° |
| C2 | C1 | O5 | 110.8° | 109.4° |
| C2 | C1 | H1 | 109.4° | 109.4° |
| C1 | C2 | H2 | 107.0° | 109.5° |
| O1' | C1' | C2' | 110.7° | 109.5° |
| O1' | C1' | H13 | 109.0° | 109.5° |
| C1' | O1' | H14 | 109.5° | 114.0° |
| C5 | O5 | C1 | 107.7° | 114.1° |
| O5 | C5 | H5 | 110.6° | 109.5° |
| O5 | C5 | H6 | 110.6° | 109.5° |
| C5' | C4' | O4' | 108.4° | 109.6° |
| C5' | C4' | C3' | 108.3° | 109.1° |
| C5' | C4' | H10 | 110.1° | 109.6° |
| C4' | C5' | H11 | 109.4° | 109.5° |
| C4' | C5' | H12 | 109.4° | 109.5° |
| C1' | C2' | C3' | 109.2° | 109.2° |
| C1' | C2' | O2' | 110.6° | 109.5° |
| C2' | C1' | H13 | 107.9° | 109.4° |
| C1' | C2' | H15 | 109.0° | 109.5° |
| C1 | O4' | C4' | 115.9° | 114.0° |
| O4' | C1 | O5 | 103.8° | 109.5° |
| O4' | C1 | H1 | 110.7° | 109.5° |
| O4' | C4' | C3' | 108.4° | 109.5° |
| O4' | C4' | H10 | 111.4° | 109.5° |
| O5 | C1 | H1 | 110.7° | 109.5° |
| C4' | C3' | C2' | 109.8° | 109.1° |
| C4' | C3' | O3' | 110.2° | 109.6° |
| C3' | C4' | H10 | 110.1° | 109.5° |
| C4' | C3' | H17 | 109.0° | 109.5° |
| C3' | C2' | O2' | 108.7° | 109.6° |
| C2' | C3' | O3' | 108.5° | 109.5° |
| C3' | C2' | H15 | 109.1° | 109.6° |
| C2' | C3' | H17 | 109.1° | 109.5° |
| O2' | C2' | H15 | 110.2° | 109.6° |
| C2' | O2' | H16 | 109.5° | 114.0° |
| O3' | C3' | H17 | 110.2° | 109.6° |
| C3' | O3' | H18 | 109.5° | 114.0° |
| H5 | C5 | H6 | 109.4° | 109.5° |
| H11 | C5' | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 120.4° | 119.8° |
| O3 | C3 | C4 | H3 | 118.8° | 120.3° |
| O3 | C3 | C2 | H3 | 119.4° | 120.3° |
| O3 | C3 | C4 | O4 | 114.1° | 63.3° |
| O3 | C3 | C4 | C5 | 128.2° | 176.8° |
| O3 | C3 | C2 | O2 | 73.3° | 63.3° |
| O3 | C3 | C2 | C1 | 162.4° | 176.8° |
| O3 | C3 | C2 | H2 | 44.0° | 56.9° |
| O3 | C3 | C4 | H4 | 7.7° | 56.8° |
| C4 | C3 | C2 | H3 | 120.9° | 119.9° |
| C3 | C4 | O4 | C5 | 119.0° | 119.7° |
| C3 | C4 | O4 | H4 | 121.0° | 120.1° |
| C3 | C4 | C5 | H4 | 120.5° | 119.9° |
| C4 | C3 | C2 | O2 | 167.0° | 176.9° |
| C4 | C3 | C2 | C1 | 42.7° | 57.0° |
| C3 | C4 | C5 | O5 | 51.8° | 57.6° |
| C4 | C3 | C2 | H2 | 75.7° | 63.0° |
| C3 | C4 | C5 | H5 | 171.1° | 62.4° |
| C3 | C4 | C5 | H6 | 67.5° | 177.6° |
| C4 | C3 | O3 | H8 | 180.0° | 60.0° |
| C3 | C4 | O4 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 125.5° | 176.9° |
| C2 | C3 | C4 | C5 | 7.8° | 57.0° |
| C3 | C2 | O2 | C1 | 127.0° | 119.7° |
| C3 | C2 | O2 | H2 | 116.6° | 120.2° |
| C3 | C2 | C1 | H2 | 118.4° | 120.0° |
| C3 | C2 | C1 | O4' | 130.3° | 177.6° |
| C3 | C2 | C1 | O5 | 15.4° | 57.6° |
| C3 | C2 | C1 | H1 | 107.0° | 62.4° |
| C2 | C3 | C4 | H4 | 112.7° | 63.0° |
| C3 | C2 | O2 | H7 | 180.0° | 179.7° |
| C2 | C3 | O3 | H8 | 56.6° | 179.6° |
| O4 | C4 | C5 | H4 | 120.7° | 120.2° |
| O4 | C4 | C5 | O5 | 66.9° | 177.5° |
| O4 | C4 | C3 | H3 | 4.7° | 57.0° |
| O4 | C4 | C5 | H5 | 52.3° | 57.5° |
| O4 | C4 | C5 | H6 | 173.7° | 62.5° |
| C4 | C5 | O5 | H5 | 119.3° | 120.0° |
| C4 | C5 | O5 | H6 | 119.3° | 120.0° |
| C4 | C5 | O5 | C1 | 84.1° | 61.2° |
| C5 | C4 | C3 | H3 | 113.0° | 62.9° |
| C4 | C5 | H5 | H6 | 122.1° | 120.0° |
| C5 | C4 | O4 | H9 | 61.0° | 60.3° |
| C5' | O5' | C1' | O1' | 111.1° | 178.9° |
| O5' | C5' | C4' | H11 | 120.0° | 119.9° |
| O5' | C5' | C4' | H12 | 120.0° | 120.0° |
| C5' | O5' | C1' | C2' | 11.2° | 61.1° |
| O5' | C5' | C4' | O4' | 62.8° | 177.5° |
| O5' | C5' | C4' | C3' | 54.5° | 57.6° |
| O5' | C5' | C4' | H10 | 175.0° | 62.3° |
| O5' | C5' | H11 | H12 | 119.9° | 120.1° |
| C5' | O5' | C1' | H13 | 129.6° | 58.8° |
| O5' | C1' | O1' | C2' | 122.2° | 120.0° |
| O5' | C1' | O1' | H13 | 119.3° | 120.0° |
| C1' | O5' | C5' | C4' | 66.8° | 61.1° |
| O5' | C1' | C2' | H13 | 119.1° | 119.9° |
| O5' | C1' | C2' | C3' | 51.1° | 57.5° |
| O5' | C1' | C2' | O2' | 170.7° | 177.5° |
| C1' | O5' | C5' | H11 | 53.3° | 58.8° |
| C1' | O5' | C5' | H12 | 173.2° | 178.9° |
| O5' | C1' | O1' | H14 | 180.0° | 60.0° |
| O5' | C1' | C2' | H15 | 68.0° | 62.4° |
| O2 | C2 | C1 | H2 | 117.1° | 120.1° |
| O2 | C2 | C1 | O4' | 105.1° | 62.4° |
| O2 | C2 | C1 | O5 | 140.0° | 177.6° |
| O2 | C2 | C1 | H1 | 17.6° | 57.5° |
| O2 | C2 | C3 | H3 | 46.2° | 57.0° |
| C2 | C1 | O5 | C5 | 46.3° | 61.2° |
| C2 | C1 | O4' | O5 | 119.2° | 120.0° |
| C2 | C1 | O4' | H1 | 121.9° | 120.0° |
| C2 | C1 | O4' | C4' | 88.7° | 175.0° |
| C2 | C1 | O5 | H1 | 121.7° | 120.0° |
| C1 | C2 | C3 | H3 | 78.2° | 62.9° |
| C1 | C2 | O2 | H7 | 52.9° | 60.0° |
| O1' | C1' | C2' | H13 | 119.2° | 120.1° |
| O1' | C1' | C2' | C3' | 172.9° | 177.6° |
| O1' | C1' | C2' | O2' | 67.6° | 62.5° |
| O1' | C1' | C2' | H15 | 53.8° | 57.6° |
| C5 | O5 | C1 | O4' | 73.2° | 178.8° |
| C5 | O5 | C1 | H1 | 168.0° | 58.8° |
| O5 | C5 | C4 | H4 | 172.3° | 62.3° |
| O5 | C5 | H5 | H6 | 122.1° | 120.0° |
| C5' | C4' | O4' | C1 | 116.1° | 90.3° |
| C5' | C4' | O4' | C3' | 117.3° | 119.7° |
| C5' | C4' | O4' | H10 | 121.3° | 120.3° |
| C5' | C4' | C3' | H10 | 120.5° | 120.0° |
| C5' | C4' | C3' | C2' | 7.8° | 57.0° |
| C5' | C4' | C3' | O3' | 127.3° | 176.8° |
| C4' | C5' | H11 | H12 | 119.9° | 120.0° |
| C5' | C4' | C3' | H17 | 111.6° | 62.9° |
| C1' | C2' | C3' | C4' | 60.3° | 57.0° |
| C1' | C2' | C3' | O2' | 120.8° | 119.9° |
| C1' | C2' | C3' | H15 | 119.0° | 119.9° |
| C1' | C2' | O2' | H15 | 120.6° | 120.1° |
| C1' | C2' | C3' | O3' | 179.2° | 176.9° |
| C2' | C1' | O1' | H14 | 57.8° | 180.0° |
| C1' | C2' | O2' | H16 | 180.0° | 59.9° |
| C1' | C2' | C3' | H17 | 59.1° | 62.9° |
| O4' | C1 | O5 | H1 | 118.8° | 120.0° |
| C1 | O4' | C4' | C3' | 126.6° | 150.0° |
| O4' | C1 | C2 | H2 | 12.0° | 57.6° |
| C1 | O4' | C4' | H10 | 5.2° | 29.9° |
| C4' | O4' | C1 | O5 | 152.1° | 65.0° |
| O4' | C4' | C3' | H10 | 122.1° | 120.1° |
| O4' | C4' | C3' | C2' | 125.2° | 176.9° |
| O4' | C4' | C3' | O3' | 115.4° | 63.2° |
| C4' | O4' | C1 | H1 | 33.3° | 55.1° |
| O4' | C4' | C5' | H11 | 177.1° | 57.5° |
| O4' | C4' | C5' | H12 | 57.2° | 62.5° |
| O4' | C4' | C3' | H17 | 5.7° | 57.0° |
| O5 | C1 | C2 | H2 | 102.9° | 62.4° |
| C1 | O5 | C5 | H5 | 156.6° | 58.8° |
| C1 | O5 | C5 | H6 | 35.2° | 178.9° |
| C4' | C3' | C2' | O3' | 120.5° | 119.9° |
| C4' | C3' | C2' | H17 | 119.4° | 119.9° |
| C4' | C3' | C2' | O2' | 178.9° | 176.9° |
| C4' | C3' | O3' | H17 | 120.4° | 120.2° |
| C3' | C4' | C5' | H11 | 65.5° | 62.4° |
| C3' | C4' | C5' | H12 | 174.6° | 177.6° |
| C4' | C3' | C2' | H15 | 58.7° | 62.9° |
| C4' | C3' | O3' | H18 | 180.0° | 180.0° |
| C3' | C2' | O2' | H15 | 119.5° | 120.2° |
| C2' | C3' | O3' | H17 | 119.4° | 120.2° |
| C2' | C3' | C4' | H10 | 112.7° | 63.0° |
| C3' | C2' | C1' | H13 | 68.0° | 62.4° |
| C3' | C2' | O2' | H16 | 60.1° | 179.7° |
| C2' | C3' | O3' | H18 | 59.7° | 60.4° |
| O2' | C2' | C3' | O3' | 58.5° | 63.2° |
| O2' | C2' | C1' | H13 | 51.6° | 57.6° |
| O2' | C2' | C3' | H17 | 61.6° | 57.0° |
| O3' | C3' | C4' | H10 | 6.8° | 56.9° |
| O3' | C3' | C2' | H15 | 61.8° | 57.0° |
| H1 | C1 | C2 | H2 | 134.6° | 177.6° |
| H2 | C2 | C3 | H3 | 163.4° | 177.2° |
| H2 | C2 | O2 | H7 | 63.4° | 60.1° |
| H3 | C3 | C4 | H4 | 126.4° | 177.1° |
| H3 | C3 | O3 | H8 | 62.0° | 60.2° |
| H4 | C4 | C5 | H5 | 68.4° | 177.7° |
| H4 | C4 | C5 | H6 | 53.0° | 57.7° |
| H4 | C4 | O4 | H9 | 59.0° | 59.9° |
| H10 | C4' | C5' | H11 | 55.0° | 177.7° |
| H10 | C4' | C5' | H12 | 64.9° | 57.7° |
| H10 | C4' | C3' | H17 | 127.9° | 177.1° |
| H13 | C1' | O1' | H14 | 60.7° | 59.9° |
| H13 | C1' | C2' | H15 | 173.0° | 177.7° |
| H15 | C2' | O2' | H16 | 59.4° | 60.1° |
| H15 | C2' | C3' | H17 | 178.2° | 177.2° |
| H17 | C3' | O3' | H18 | 59.6° | 59.8° |
