UAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | sing | 1.52Å | 1.74Å | |
| S | O2S | doub | 1.42Å | 1.44Å | |
| S | O3S | doub | 1.42Å | 1.44Å | |
| S | O1S | sing | 1.52Å | 1.42Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.50Å | 1.43Å | |
| O3 | C3 | sing | 1.43Å | 1.40Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | doub | 1.32Å | 1.33Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.47Å | 1.32Å | |
| C5 | O5 | sing | 1.36Å | 1.35Å | |
| O6A | C6 | doub | 1.22Å | 1.23Å | |
| O6B | C6 | sing | 1.35Å | 1.23Å | |
| O1S | HO1S | sing | 0.97Å | 0.95Å | |
| O6B | HO6B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O2S | 107.6° | 106.4° |
| O2 | S | O3S | 109.1° | 106.4° |
| O2 | S | O1S | 107.8° | 107.2° |
| S | O2 | C2 | 116.5° | 113.9° |
| O2S | S | O3S | 113.1° | 123.2° |
| O2S | S | O1S | 111.5° | 106.4° |
| O3S | S | O1S | 107.6° | 106.4° |
| S | O1S | HO1S | 109.5° | 114.0° |
| O5 | C1 | O1 | 112.9° | 109.7° |
| O5 | C1 | C2 | 108.1° | 108.3° |
| O5 | C1 | H1 | 110.7° | 109.7° |
| C1 | O5 | C5 | 117.6° | 117.6° |
| O1 | C1 | C2 | 104.2° | 109.7° |
| O1 | C1 | H1 | 111.0° | 109.7° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | H1 | 109.7° | 109.7° |
| C1 | C2 | C3 | 111.3° | 108.2° |
| C1 | C2 | O2 | 104.1° | 109.7° |
| C1 | C2 | H2 | 110.7° | 109.7° |
| C3 | C2 | O2 | 107.8° | 109.7° |
| C3 | C2 | H2 | 110.3° | 109.7° |
| C2 | C3 | C4 | 111.5° | 109.4° |
| C2 | C3 | O3 | 113.2° | 109.5° |
| C2 | C3 | H3 | 106.9° | 109.4° |
| O2 | C2 | H2 | 112.3° | 109.7° |
| C4 | C3 | O3 | 108.3° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C3 | C4 | C5 | 122.0° | 122.3° |
| C3 | C4 | H4 | 119.0° | 118.8° |
| O3 | C3 | H3 | 108.5° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | H4 | 119.0° | 118.9° |
| C4 | C5 | C6 | 115.8° | 118.5° |
| C4 | C5 | O5 | 123.9° | 123.0° |
| C6 | C5 | O5 | 120.1° | 118.5° |
| C5 | C6 | O6A | 119.7° | 120.0° |
| C5 | C6 | O6B | 117.4° | 120.0° |
| O6A | C6 | O6B | 122.9° | 120.0° |
| C6 | O6B | HO6B | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O2S | O3S | 120.5° | 123.0° |
| O2 | S | O2S | O1S | 118.0° | 114.1° |
| O2 | S | O3S | O1S | 116.7° | 114.1° |
| S | O2 | C2 | C1 | 140.8° | 95.0° |
| S | O2 | C2 | C3 | 100.9° | 146.2° |
| S | O2 | C2 | H2 | 20.9° | 25.6° |
| O2 | S | O1S | HO1S | 117.5° | 180.0° |
| O2S | S | O3S | O1S | 123.6° | 123.0° |
| O2S | S | O2 | C2 | 176.4° | 171.4° |
| O2S | S | O1S | HO1S | 124.6° | 66.5° |
| O3S | S | O2 | C2 | 53.4° | 38.5° |
| O3S | S | O1S | HO1S | 0.0° | 66.5° |
| O1S | S | O2 | C2 | 63.3° | 75.0° |
| O5 | C1 | O1 | C2 | 117.1° | 118.9° |
| O5 | C1 | O1 | H1 | 124.9° | 120.5° |
| O5 | C1 | C2 | H1 | 120.8° | 119.7° |
| O5 | C1 | O1 | HO1 | 180.0° | 61.1° |
| O5 | C1 | C2 | C3 | 57.5° | 63.0° |
| O5 | C1 | C2 | O2 | 58.4° | 177.4° |
| O5 | C1 | C2 | H2 | 179.3° | 56.7° |
| C1 | O5 | C5 | C4 | 15.3° | 16.6° |
| C1 | O5 | C5 | C6 | 170.2° | 163.3° |
| O1 | C1 | C2 | H1 | 118.9° | 120.6° |
| O1 | C1 | C2 | C3 | 62.8° | 177.3° |
| O1 | C1 | C2 | O2 | 178.7° | 57.6° |
| O1 | C1 | C2 | H2 | 60.3° | 63.0° |
| O1 | C1 | O5 | C5 | 70.3° | 167.6° |
| C2 | C1 | O1 | HO1 | 62.9° | 180.0° |
| C1 | C2 | C3 | O2 | 113.6° | 119.7° |
| C1 | C2 | C3 | H2 | 123.4° | 119.7° |
| C1 | C2 | O2 | H2 | 119.9° | 120.6° |
| C1 | C2 | C3 | C4 | 42.2° | 47.2° |
| C1 | C2 | C3 | O3 | 80.2° | 167.2° |
| C1 | C2 | C3 | H3 | 160.3° | 72.8° |
| C2 | C1 | O5 | C5 | 44.5° | 47.8° |
| H1 | C1 | O1 | HO1 | 55.1° | 59.4° |
| H1 | C1 | C2 | C3 | 178.3° | 56.7° |
| H1 | C1 | C2 | O2 | 62.4° | 62.9° |
| H1 | C1 | C2 | H2 | 58.5° | 176.4° |
| H1 | C1 | O5 | C5 | 164.6° | 71.9° |
| C3 | C2 | O2 | H2 | 121.8° | 120.6° |
| C2 | C3 | C4 | O3 | 125.2° | 120.0° |
| C2 | C3 | C4 | H3 | 117.3° | 119.9° |
| C2 | C3 | O3 | H3 | 118.5° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 12.4° | 17.5° |
| C2 | C3 | C4 | H4 | 167.6° | 162.5° |
| O2 | C2 | C3 | C4 | 71.4° | 166.8° |
| O2 | C2 | C3 | O3 | 166.2° | 73.2° |
| O2 | C2 | C3 | H3 | 46.7° | 46.9° |
| H2 | C2 | C3 | C4 | 165.6° | 72.5° |
| H2 | C2 | C3 | O3 | 43.2° | 47.5° |
| H2 | C2 | C3 | H3 | 76.3° | 167.5° |
| C4 | C3 | O3 | H3 | 117.3° | 120.1° |
| C4 | C3 | O3 | HO3 | 55.8° | 60.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 172.6° | 179.6° |
| C3 | C4 | C5 | O5 | 2.1° | 0.4° |
| O3 | C3 | C4 | C5 | 112.8° | 137.5° |
| O3 | C3 | C4 | H4 | 67.2° | 42.5° |
| H3 | C3 | O3 | HO3 | 61.4° | 60.0° |
| H3 | C3 | C4 | C5 | 129.7° | 102.4° |
| H3 | C3 | C4 | H4 | 50.3° | 77.6° |
| C4 | C5 | C6 | O5 | 174.9° | 180.0° |
| C4 | C5 | C6 | O6A | 174.2° | 0.0° |
| C4 | C5 | C6 | O6B | 2.4° | 180.0° |
| H4 | C4 | C5 | C6 | 7.4° | 0.4° |
| H4 | C4 | C5 | O5 | 177.9° | 179.7° |
| C5 | C6 | O6A | O6B | 176.4° | 180.0° |
| C5 | C6 | O6B | HO6B | 176.5° | 180.0° |
| O5 | C5 | C6 | O6A | 0.7° | 180.0° |
| O5 | C5 | C6 | O6B | 177.3° | 0.0° |
| O6A | C6 | O6B | HO6B | 0.0° | 0.0° |
