U2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.57Å | |
| C7 | O1 | sing | 1.43Å | 1.44Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| O5 | C1 | sing | 1.43Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | S2 | sing | 1.81Å | 1.79Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| S2 | HS2 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 111.8° | 109.5° |
| O6 | C6 | H61 | 108.9° | 109.5° |
| O6 | C6 | H62 | 108.9° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 115.1° | 109.5° |
| C6 | C5 | C4 | 112.3° | 109.5° |
| C6 | C5 | H5 | 107.0° | 109.5° |
| C5 | C6 | H61 | 108.9° | 109.5° |
| C5 | C6 | H62 | 108.9° | 109.5° |
| C7 | O1 | C1 | 116.7° | 114.0° |
| O1 | C7 | H14 | 109.5° | 109.4° |
| O1 | C7 | H15 | 109.5° | 109.5° |
| O1 | C7 | H16 | 109.5° | 109.4° |
| C5 | O5 | C1 | 118.0° | 114.1° |
| O5 | C5 | C4 | 106.6° | 109.4° |
| O5 | C5 | H5 | 108.3° | 109.5° |
| O5 | C1 | O1 | 110.1° | 109.5° |
| O5 | C1 | C2 | 110.7° | 109.4° |
| O5 | C1 | H1 | 106.7° | 109.5° |
| C5 | C4 | O4 | 112.6° | 109.5° |
| C5 | C4 | C3 | 109.7° | 109.2° |
| C5 | C4 | H4 | 107.2° | 109.6° |
| C4 | C5 | H5 | 107.3° | 109.4° |
| O1 | C1 | C2 | 116.2° | 109.5° |
| O1 | C1 | H1 | 106.9° | 109.5° |
| C1 | C2 | C3 | 107.5° | 109.2° |
| C1 | C2 | S2 | 114.6° | 109.5° |
| C1 | C2 | H2 | 110.0° | 109.6° |
| C2 | C1 | H1 | 105.5° | 109.5° |
| O4 | C4 | C3 | 111.3° | 109.6° |
| O4 | C4 | H4 | 108.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| C4 | C3 | C2 | 114.5° | 109.0° |
| C4 | C3 | O3 | 111.3° | 109.5° |
| C4 | C3 | H3 | 105.2° | 109.6° |
| C3 | C4 | H4 | 107.2° | 109.5° |
| C3 | C2 | S2 | 106.9° | 109.5° |
| C2 | C3 | O3 | 113.6° | 109.6° |
| C3 | C2 | H2 | 110.3° | 109.5° |
| C2 | C3 | H3 | 105.1° | 109.6° |
| S2 | C2 | H2 | 107.5° | 109.5° |
| C2 | S2 | HS2 | 102.0° | 103.0° |
| O3 | C3 | H3 | 106.2° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| H14 | C7 | H16 | 109.5° | 109.4° |
| H15 | C7 | H16 | 109.4° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.3° | 120.0° |
| O6 | C6 | C5 | H62 | 120.4° | 120.0° |
| O6 | C6 | C5 | O5 | 31.5° | 65.0° |
| O6 | C6 | C5 | C4 | 153.6° | 175.1° |
| O6 | C6 | C5 | H5 | 88.9° | 55.1° |
| O6 | C6 | H61 | H62 | 118.9° | 119.9° |
| C6 | C5 | O5 | C4 | 125.2° | 120.0° |
| C6 | C5 | O5 | H5 | 119.7° | 120.1° |
| C6 | C5 | O5 | C1 | 174.1° | 178.9° |
| C6 | C5 | C4 | H5 | 117.3° | 120.1° |
| C6 | C5 | C4 | O4 | 53.3° | 62.5° |
| C6 | C5 | C4 | C3 | 177.9° | 177.6° |
| C6 | C5 | C4 | H4 | 66.0° | 57.6° |
| C5 | C6 | H61 | H62 | 118.9° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C7 | O1 | C1 | O5 | 57.5° | 65.0° |
| C7 | O1 | C1 | C2 | 175.5° | 175.0° |
| C7 | O1 | C1 | H1 | 58.1° | 55.0° |
| O1 | C7 | H14 | H15 | 120.0° | 120.0° |
| O1 | C7 | H14 | H16 | 120.0° | 119.9° |
| O1 | C7 | H15 | H16 | 120.0° | 120.0° |
| O5 | C5 | C4 | H5 | 115.9° | 119.9° |
| C5 | O5 | C1 | O1 | 170.6° | 178.9° |
| C5 | O5 | C1 | C2 | 59.4° | 61.2° |
| O5 | C5 | C4 | O4 | 179.8° | 177.5° |
| O5 | C5 | C4 | C3 | 55.3° | 57.6° |
| C5 | O5 | C1 | H1 | 54.9° | 58.9° |
| O5 | C5 | C4 | H4 | 60.9° | 62.4° |
| O5 | C5 | C6 | H61 | 88.8° | 175.0° |
| O5 | C5 | C6 | H62 | 151.9° | 55.0° |
| C1 | O5 | C5 | C4 | 60.7° | 61.1° |
| O5 | C1 | O1 | C2 | 127.0° | 120.0° |
| O5 | C1 | O1 | H1 | 115.6° | 120.0° |
| O5 | C1 | C2 | H1 | 115.1° | 120.0° |
| O5 | C1 | C2 | C3 | 49.9° | 57.6° |
| O5 | C1 | C2 | S2 | 168.4° | 177.5° |
| O5 | C1 | C2 | H2 | 70.3° | 62.3° |
| C1 | O5 | C5 | H5 | 54.4° | 58.8° |
| C5 | C4 | O4 | C3 | 123.7° | 119.7° |
| C5 | C4 | O4 | H4 | 118.6° | 120.2° |
| C5 | C4 | C3 | H4 | 116.1° | 120.0° |
| C5 | C4 | C3 | C2 | 56.5° | 56.9° |
| C5 | C4 | C3 | O3 | 173.0° | 176.9° |
| C5 | C4 | C3 | H3 | 58.4° | 63.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C4 | C5 | C6 | H61 | 33.3° | 55.1° |
| C4 | C5 | C6 | H62 | 86.0° | 65.0° |
| O1 | C1 | C2 | H1 | 118.3° | 120.0° |
| O1 | C1 | C2 | C3 | 176.5° | 177.6° |
| O1 | C1 | C2 | S2 | 64.9° | 62.5° |
| O1 | C1 | C2 | H2 | 56.4° | 57.7° |
| C1 | O1 | C7 | H14 | 180.0° | 60.1° |
| C1 | O1 | C7 | H15 | 60.0° | 60.0° |
| C1 | O1 | C7 | H16 | 60.0° | 180.0° |
| C1 | C2 | C3 | C4 | 51.9° | 57.0° |
| C1 | C2 | C3 | S2 | 123.5° | 119.9° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | S2 | H2 | 122.7° | 120.2° |
| C1 | C2 | C3 | O3 | 178.7° | 176.8° |
| C1 | C2 | C3 | H3 | 63.0° | 63.0° |
| C1 | C2 | S2 | HS2 | 180.0° | 60.3° |
| O4 | C4 | C3 | H4 | 118.6° | 120.1° |
| O4 | C4 | C3 | C2 | 178.2° | 176.8° |
| O4 | C4 | C3 | O3 | 47.7° | 63.2° |
| O4 | C4 | C3 | H3 | 66.9° | 56.9° |
| O4 | C4 | C5 | H5 | 64.0° | 57.6° |
| C4 | C3 | C2 | O3 | 129.4° | 119.9° |
| C4 | C3 | C2 | H3 | 114.9° | 119.9° |
| C4 | C3 | C2 | S2 | 175.4° | 176.9° |
| C4 | C3 | O3 | H3 | 113.9° | 120.2° |
| C4 | C3 | C2 | H2 | 68.0° | 63.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.6° |
| C3 | C4 | O4 | HO4 | 56.3° | 60.0° |
| C3 | C4 | C5 | H5 | 60.6° | 62.4° |
| C3 | C2 | S2 | H2 | 118.4° | 120.1° |
| C2 | C3 | O3 | H3 | 115.1° | 120.2° |
| C3 | C2 | C1 | H1 | 65.2° | 62.4° |
| C2 | C3 | O3 | HO3 | 49.0° | 60.0° |
| C2 | C3 | C4 | H4 | 59.7° | 63.0° |
| C3 | C2 | S2 | HS2 | 61.1° | 180.0° |
| S2 | C2 | C3 | O3 | 55.2° | 63.2° |
| S2 | C2 | C1 | H1 | 53.4° | 57.5° |
| S2 | C2 | C3 | H3 | 60.5° | 57.0° |
| O3 | C3 | C2 | H2 | 61.4° | 56.9° |
| O3 | C3 | C4 | H4 | 70.9° | 56.9° |
| H2 | C2 | C1 | H1 | 174.7° | 177.7° |
| H2 | C2 | C3 | H3 | 177.1° | 177.1° |
| H2 | C2 | S2 | HS2 | 57.3° | 59.9° |
| H14 | C7 | H15 | H16 | 120.0° | 120.0° |
| H3 | C3 | O3 | HO3 | 66.1° | 60.2° |
| H3 | C3 | C4 | H4 | 174.6° | 177.0° |
| H4 | C4 | O4 | HO4 | 61.4° | 60.1° |
| H4 | C4 | C5 | H5 | 176.7° | 177.7° |
| H5 | C5 | C6 | H61 | 150.7° | 64.9° |
| H5 | C5 | C6 | H62 | 31.4° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.0° |
