5TH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | S1 | doub | 1.42Å | 1.50Å | |
| O8 | S1 | doub | 1.42Å | 1.52Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| S1 | O7 | sing | 1.52Å | 1.51Å | |
| S1 | O2 | sing | 1.52Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O4 | S2 | sing | 1.52Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| S2 | O07 | sing | 1.52Å | 1.51Å | |
| 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 | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O07 | H11 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| O7 | H2A | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | S1 | O8 | 109.1° | 123.2° |
| O9 | S1 | O7 | 109.2° | 106.4° |
| O9 | S1 | O2 | 109.3° | 106.4° |
| O8 | S1 | O7 | 108.8° | 106.4° |
| O8 | S1 | O2 | 110.5° | 106.4° |
| O3 | C3 | C2 | 109.6° | 109.5° |
| O3 | C3 | C4 | 109.8° | 109.6° |
| O3 | C3 | H3 | 110.0° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O7 | S1 | O2 | 109.9° | 107.2° |
| S1 | O7 | H2A | 109.5° | 114.0° |
| S1 | O2 | C2 | 112.5° | 114.0° |
| C3 | C2 | C1 | 110.0° | 109.2° |
| C3 | C2 | O2 | 110.3° | 109.5° |
| C2 | C3 | C4 | 110.6° | 109.0° |
| C3 | C2 | H2 | 107.9° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.6° |
| C1 | C2 | O2 | 111.3° | 109.5° |
| C2 | C1 | O5 | 110.9° | 109.4° |
| C2 | C1 | H1 | 106.4° | 109.5° |
| C1 | C2 | H2 | 107.8° | 109.5° |
| C2 | C1 | O1 | 112.9° | 109.5° |
| O2 | C2 | H2 | 109.4° | 109.6° |
| O4 | C4 | C3 | 111.1° | 109.5° |
| O4 | C4 | C5 | 110.7° | 109.5° |
| C4 | O4 | S2 | 113.6° | 114.0° |
| O4 | C4 | H4 | 108.9° | 109.5° |
| C3 | C4 | C5 | 111.0° | 109.1° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | H4 | 107.6° | 109.6° |
| C4 | C5 | C6 | 112.8° | 109.5° |
| C4 | C5 | O5 | 111.0° | 109.4° |
| C5 | C4 | H4 | 107.4° | 109.6° |
| C4 | C5 | H5 | 108.1° | 109.5° |
| O6 | C6 | C5 | 111.4° | 109.5° |
| O6 | C6 | H61 | 109.0° | 109.4° |
| O6 | C6 | H62 | 109.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.1° |
| C6 | C5 | O5 | 107.2° | 109.4° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| O4 | S2 | O07 | 109.4° | 103.0° |
| C1 | O5 | C5 | 112.6° | 114.1° |
| O5 | C1 | H1 | 107.7° | 109.5° |
| O5 | C1 | O1 | 110.4° | 109.5° |
| O5 | C5 | H5 | 109.3° | 109.5° |
| S2 | O07 | H11 | 109.5° | 114.0° |
| H1 | C1 | O1 | 108.4° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | S1 | O8 | O7 | 119.0° | 122.9° |
| O9 | S1 | O8 | O2 | 120.2° | 122.9° |
| O9 | S1 | O7 | O2 | 119.9° | 113.5° |
| O9 | S1 | O2 | C2 | 60.4° | 38.6° |
| O9 | S1 | O7 | H2A | 0.0° | 66.5° |
| O8 | S1 | O7 | O2 | 121.1° | 113.6° |
| O8 | S1 | O2 | C2 | 59.7° | 171.5° |
| O8 | S1 | O7 | H2A | 119.0° | 66.4° |
| O3 | C3 | C2 | C4 | 121.2° | 119.9° |
| O3 | C3 | C2 | H3 | 120.0° | 120.2° |
| O3 | C3 | C2 | C1 | 155.9° | 176.9° |
| O3 | C3 | C2 | O2 | 81.0° | 63.2° |
| O3 | C3 | C4 | O4 | 54.1° | 63.2° |
| O3 | C3 | C4 | H3 | 120.2° | 120.2° |
| O3 | C3 | C4 | C5 | 177.8° | 176.9° |
| O3 | C3 | C2 | H2 | 38.5° | 57.0° |
| O3 | C3 | C4 | H4 | 64.9° | 56.9° |
| O7 | S1 | O2 | C2 | 179.7° | 74.9° |
| S1 | O2 | C2 | C3 | 106.6° | 145.0° |
| S1 | O2 | C2 | C1 | 131.1° | 95.3° |
| S1 | O2 | C2 | H2 | 12.0° | 24.8° |
| O2 | S1 | O7 | H2A | 119.9° | 179.9° |
| C3 | C2 | C1 | O2 | 122.5° | 119.9° |
| C3 | C2 | C1 | H2 | 117.5° | 119.9° |
| C3 | C2 | O2 | H2 | 118.6° | 120.2° |
| C2 | C3 | C4 | O4 | 175.2° | 176.9° |
| C2 | C3 | C4 | H3 | 118.8° | 119.9° |
| C2 | C3 | C4 | C5 | 61.2° | 57.0° |
| C3 | C2 | C1 | O5 | 26.4° | 57.6° |
| C3 | C2 | C1 | H1 | 90.4° | 177.6° |
| C2 | C3 | C4 | H4 | 56.1° | 63.0° |
| C2 | C3 | O3 | HO3 | 27.9° | 60.0° |
| C3 | C2 | C1 | O1 | 150.9° | 62.3° |
| C1 | C2 | O2 | H2 | 119.1° | 120.1° |
| C1 | C2 | C3 | C4 | 34.7° | 57.0° |
| C2 | C1 | O5 | H1 | 116.1° | 120.0° |
| C2 | C1 | O5 | O1 | 125.8° | 120.0° |
| C2 | C1 | O5 | C5 | 69.2° | 61.1° |
| C2 | C1 | H1 | O1 | 121.6° | 120.1° |
| C1 | C2 | C3 | H3 | 84.1° | 62.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| O2 | C2 | C3 | C4 | 157.9° | 176.9° |
| O2 | C2 | C1 | O5 | 96.1° | 177.5° |
| O2 | C2 | C1 | H1 | 147.1° | 62.5° |
| O2 | C2 | C3 | H3 | 39.0° | 57.0° |
| O2 | C2 | C1 | O1 | 28.3° | 57.6° |
| O4 | C4 | C3 | C5 | 123.7° | 119.8° |
| O4 | C4 | C3 | H4 | 119.1° | 120.1° |
| O4 | C4 | C5 | H4 | 118.7° | 120.1° |
| O4 | C4 | C5 | C6 | 93.4° | 62.5° |
| O4 | C4 | C5 | O5 | 146.2° | 177.6° |
| C4 | O4 | S2 | O07 | 169.7° | 180.0° |
| O4 | C4 | C3 | H3 | 66.0° | 57.0° |
| O4 | C4 | C5 | H5 | 26.4° | 57.5° |
| C3 | C4 | C5 | H4 | 117.3° | 120.0° |
| C3 | C4 | C5 | C6 | 142.7° | 177.6° |
| C3 | C4 | O4 | S2 | 61.7° | 145.0° |
| C3 | C4 | C5 | O5 | 22.3° | 57.7° |
| C4 | C3 | C2 | H2 | 82.7° | 62.9° |
| C3 | C4 | C5 | H5 | 97.5° | 62.3° |
| C4 | C3 | O3 | HO3 | 149.5° | 179.5° |
| C4 | C5 | C6 | O6 | 127.0° | 175.0° |
| C4 | C5 | C6 | O5 | 122.5° | 119.9° |
| C4 | C5 | C6 | H5 | 119.7° | 120.1° |
| C5 | C4 | O4 | S2 | 62.1° | 95.4° |
| C4 | C5 | O5 | C1 | 41.5° | 61.2° |
| C4 | C5 | O5 | H5 | 119.2° | 120.0° |
| C5 | C4 | C3 | H3 | 57.6° | 62.8° |
| C4 | C5 | C6 | H61 | 112.7° | 55.0° |
| C4 | C5 | C6 | H62 | 6.7° | 64.9° |
| O6 | C6 | C5 | H61 | 120.3° | 120.0° |
| O6 | C6 | C5 | H62 | 120.3° | 120.1° |
| O6 | C6 | C5 | O5 | 110.5° | 65.1° |
| O6 | C6 | C5 | H5 | 7.3° | 55.0° |
| O6 | C6 | H61 | H62 | 119.1° | 120.0° |
| C6 | C5 | O5 | C1 | 82.1° | 178.8° |
| C6 | C5 | O5 | H5 | 117.2° | 120.0° |
| C6 | C5 | C4 | H4 | 25.3° | 57.6° |
| C5 | C6 | H61 | H62 | 119.1° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| S2 | O4 | C4 | H4 | 180.0° | 24.8° |
| O4 | S2 | O07 | H11 | 180.0° | 180.0° |
| O5 | C1 | H1 | O1 | 119.4° | 120.0° |
| O5 | C1 | C2 | H2 | 143.9° | 62.3° |
| C1 | O5 | C5 | H5 | 160.7° | 58.8° |
| O5 | C1 | O1 | HO1 | 55.4° | 60.0° |
| C5 | O5 | C1 | H1 | 46.9° | 178.8° |
| O5 | C5 | C4 | H4 | 95.0° | 62.3° |
| O5 | C5 | C6 | H61 | 9.8° | 174.9° |
| O5 | C5 | C6 | H62 | 129.2° | 55.0° |
| C5 | O5 | C1 | O1 | 165.0° | 58.8° |
| H1 | C1 | C2 | H2 | 27.1° | 57.7° |
| H1 | C1 | O1 | HO1 | 62.4° | 59.9° |
| H2 | C2 | C3 | H3 | 158.5° | 177.3° |
| H2 | C2 | C1 | O1 | 91.7° | 177.7° |
| H3 | C3 | C4 | H4 | 174.9° | 177.1° |
| H3 | C3 | O3 | HO3 | 91.2° | 60.2° |
| H4 | C4 | C5 | H5 | 145.1° | 177.6° |
| H5 | C5 | C6 | H61 | 127.6° | 65.0° |
| H5 | C5 | C6 | H62 | 113.0° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 59.9° |
