98U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C1 | sing | 1.43Å | 1.41Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.45Å | 1.37Å | |
| O3 | C7 | sing | 1.34Å | 1.33Å | |
| C7 | O7 | doub | 1.21Å | 1.33Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O5 | C5 | 113.6° | 114.1° |
| O5 | C1 | C2 | 110.7° | 109.4° |
| O5 | C1 | H1 | 109.6° | 109.5° |
| O5 | C1 | O1 | 109.7° | 109.5° |
| O5 | C5 | C6 | 108.2° | 109.5° |
| O5 | C5 | C4 | 111.9° | 109.4° |
| O5 | C5 | H5 | 109.5° | 109.5° |
| C1 | C2 | O2 | 111.8° | 109.6° |
| C1 | C2 | C3 | 109.8° | 109.2° |
| C1 | C2 | H2 | 108.5° | 109.6° |
| C2 | C1 | H1 | 108.1° | 109.4° |
| C2 | C1 | O1 | 109.1° | 109.4° |
| C6 | C5 | C4 | 110.1° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.4° | 109.5° |
| O2 | C2 | C3 | 108.1° | 109.5° |
| O2 | C2 | H2 | 110.0° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 107.0° | 109.0° |
| C2 | C3 | O3 | 106.8° | 109.5° |
| C2 | C3 | H3 | 109.6° | 109.6° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C5 | C4 | O4 | 109.4° | 109.5° |
| C5 | C4 | C3 | 106.6° | 109.1° |
| C5 | C4 | H4 | 109.8° | 109.6° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| O4 | C4 | C3 | 110.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| O4 | C4 | H4 | 111.2° | 109.6° |
| C4 | C3 | O3 | 112.3° | 109.6° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.6° |
| C3 | O3 | C7 | 118.6° | 117.1° |
| O3 | C3 | H3 | 111.7° | 109.5° |
| O3 | C7 | O7 | 121.1° | 120.0° |
| O3 | C7 | C8 | 118.9° | 120.0° |
| O7 | C7 | C8 | 119.8° | 120.0° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| H1 | C1 | O1 | 109.5° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | H1 | 120.1° | 120.0° |
| O5 | C1 | C2 | O1 | 120.9° | 120.0° |
| C1 | O5 | C5 | C6 | 179.4° | 178.8° |
| O5 | C1 | C2 | O2 | 177.2° | 177.5° |
| O5 | C1 | C2 | C3 | 57.3° | 57.6° |
| C1 | O5 | C5 | C4 | 57.9° | 61.2° |
| O5 | C1 | C2 | H2 | 61.4° | 62.3° |
| C1 | O5 | C5 | H5 | 62.6° | 58.8° |
| O5 | C1 | H1 | O1 | 120.4° | 120.1° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C5 | O5 | C1 | C2 | 54.9° | 61.2° |
| O5 | C5 | C6 | C4 | 122.6° | 119.9° |
| O5 | C5 | C6 | H5 | 118.7° | 120.0° |
| O5 | C5 | C4 | H5 | 121.1° | 120.0° |
| O5 | C5 | C4 | O4 | 59.5° | 62.2° |
| O5 | C5 | C4 | C3 | 59.8° | 57.6° |
| O5 | C5 | C4 | H4 | 178.2° | 177.5° |
| O5 | C5 | C6 | H61 | 180.0° | 180.0° |
| O5 | C5 | C6 | H62 | 60.0° | 60.1° |
| O5 | C5 | C6 | H63 | 60.0° | 60.0° |
| C5 | O5 | C1 | H1 | 174.1° | 178.9° |
| C5 | O5 | C1 | O1 | 65.6° | 58.8° |
| C1 | C2 | O2 | C3 | 120.9° | 119.7° |
| C1 | C2 | O2 | H2 | 120.6° | 120.2° |
| C1 | C2 | C3 | H2 | 118.6° | 119.9° |
| C1 | C2 | C3 | C4 | 61.0° | 56.9° |
| C1 | C2 | C3 | O3 | 178.6° | 176.8° |
| C1 | C2 | C3 | H3 | 57.3° | 63.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
| C2 | C1 | H1 | O1 | 118.8° | 120.0° |
| C2 | C1 | O1 | HO1 | 58.5° | 180.0° |
| C6 | C5 | C4 | H5 | 118.6° | 120.0° |
| C6 | C5 | C4 | O4 | 60.9° | 57.7° |
| C6 | C5 | C4 | C3 | 179.8° | 177.6° |
| C6 | C5 | C4 | H4 | 61.4° | 62.5° |
| C5 | C6 | H61 | H62 | 120.1° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| O2 | C2 | C3 | H2 | 119.3° | 120.1° |
| O2 | C2 | C3 | C4 | 176.9° | 176.9° |
| O2 | C2 | C3 | O3 | 56.4° | 63.2° |
| O2 | C2 | C3 | H3 | 64.8° | 57.0° |
| O2 | C2 | C1 | H1 | 62.7° | 62.5° |
| O2 | C2 | C1 | O1 | 56.3° | 57.5° |
| C2 | C3 | C4 | C5 | 61.3° | 57.0° |
| C2 | C3 | C4 | O4 | 57.3° | 62.9° |
| C2 | C3 | C4 | O3 | 116.9° | 119.9° |
| C2 | C3 | C4 | H3 | 118.6° | 120.0° |
| C2 | C3 | O3 | H3 | 119.9° | 120.2° |
| C2 | C3 | O3 | C7 | 167.2° | 90.4° |
| C2 | C3 | C4 | H4 | 180.0° | 176.9° |
| C3 | C2 | O2 | HO2 | 59.2° | 180.0° |
| C3 | C2 | C1 | H1 | 177.4° | 177.6° |
| C3 | C2 | C1 | O1 | 63.6° | 62.4° |
| C5 | C4 | O4 | C3 | 116.9° | 119.6° |
| C5 | C4 | O4 | H4 | 121.5° | 120.3° |
| C5 | C4 | C3 | H4 | 118.7° | 120.0° |
| C5 | C4 | C3 | O3 | 178.2° | 176.8° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.4° |
| C5 | C4 | C3 | H3 | 57.2° | 63.0° |
| C4 | C5 | C6 | H61 | 57.4° | 60.0° |
| C4 | C5 | C6 | H62 | 177.4° | 180.0° |
| C4 | C5 | C6 | H63 | 62.6° | 60.0° |
| O4 | C4 | C3 | H4 | 122.7° | 120.1° |
| O4 | C4 | C3 | O3 | 59.6° | 56.9° |
| O4 | C4 | C3 | H3 | 175.9° | 177.1° |
| O4 | C4 | C5 | H5 | 179.4° | 177.8° |
| C4 | C3 | O3 | H3 | 123.1° | 120.2° |
| C4 | C3 | O3 | C7 | 75.7° | 150.0° |
| C3 | C4 | O4 | HO4 | 63.0° | 180.0° |
| C4 | C3 | C2 | H2 | 57.5° | 63.0° |
| C3 | C4 | C5 | H5 | 61.3° | 62.4° |
| C3 | O3 | C7 | O7 | 1.1° | 0.0° |
| C3 | O3 | C7 | C8 | 176.7° | 180.0° |
| O3 | C3 | C4 | H4 | 63.1° | 63.2° |
| O3 | C3 | C2 | H2 | 62.9° | 56.9° |
| O3 | C7 | O7 | C8 | 175.6° | 180.0° |
| C7 | O3 | C3 | H3 | 47.4° | 29.8° |
| O3 | C7 | C8 | H6 | 175.7° | 90.0° |
| O3 | C7 | C8 | H7 | 64.3° | 150.0° |
| O3 | C7 | C8 | H8 | 55.7° | 30.0° |
| O7 | C7 | C8 | H6 | 0.0° | 90.0° |
| O7 | C7 | C8 | H7 | 120.0° | 30.0° |
| O7 | C7 | C8 | H8 | 120.0° | 150.0° |
| C7 | C8 | H6 | H7 | 120.0° | 120.0° |
| C7 | C8 | H6 | H8 | 120.0° | 120.0° |
| C7 | C8 | H7 | H8 | 120.0° | 120.0° |
| HO4 | O4 | C4 | H4 | 58.5° | 59.9° |
| H4 | C4 | C3 | H3 | 61.4° | 57.0° |
| H4 | C4 | C5 | H5 | 57.1° | 57.5° |
| H3 | C3 | C2 | H2 | 175.9° | 177.0° |
| H2 | C2 | O2 | HO2 | 59.4° | 59.9° |
| H2 | C2 | C1 | H1 | 58.7° | 57.7° |
| H2 | C2 | C1 | O1 | 177.8° | 177.7° |
| H6 | C8 | H7 | H8 | 120.0° | 120.0° |
| H5 | C5 | C6 | H61 | 61.3° | 60.0° |
| H5 | C5 | C6 | H62 | 58.7° | 59.9° |
| H5 | C5 | C6 | H63 | 178.7° | 180.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H1 | C1 | O1 | HO1 | 59.7° | 60.0° |
