83Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2S | S | doub | 1.42Å | 1.48Å | |
| O1S | S | doub | 1.42Å | 1.49Å | |
| S | O3S | sing | 1.52Å | 1.48Å | |
| S | O3 | sing | 1.52Å | 1.55Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3S | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2S | S | O1S | 109.4° | 123.2° |
| O2S | S | O3S | 109.1° | 106.4° |
| O2S | S | O3 | 110.7° | 106.4° |
| O1S | S | O3S | 108.4° | 106.4° |
| O1S | S | O3 | 108.7° | 106.4° |
| O3S | S | O3 | 110.5° | 107.3° |
| S | O3S | H8 | 109.5° | 114.0° |
| S | O3 | C3 | 118.4° | 114.0° |
| O3 | C3 | C2 | 110.0° | 109.6° |
| O3 | C3 | C4 | 113.1° | 109.5° |
| O3 | C3 | H3 | 108.8° | 109.6° |
| C2 | C3 | C4 | 109.5° | 109.0° |
| C3 | C2 | O2 | 109.9° | 109.5° |
| C3 | C2 | C1 | 110.5° | 109.2° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| C2 | C3 | H3 | 107.6° | 109.6° |
| C3 | C4 | O4 | 109.8° | 109.5° |
| C3 | C4 | C5 | 106.2° | 109.1° |
| C4 | C3 | H3 | 107.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| O2 | C2 | C1 | 110.1° | 109.6° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O1 | 109.5° | 109.5° |
| C2 | C1 | O5 | 109.4° | 109.4° |
| C2 | C1 | H1 | 108.4° | 109.6° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| O1 | C1 | O5 | 110.5° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | O5 | C5 | 114.4° | 114.1° |
| O5 | C1 | H1 | 109.5° | 109.4° |
| O4 | C4 | C5 | 111.1° | 109.5° |
| O4 | C4 | H4 | 110.8° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 110.7° | 109.4° |
| C4 | C5 | C6 | 113.4° | 109.4° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| O5 | C5 | C6 | 107.4° | 109.5° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2S | S | O1S | O3S | 118.9° | 123.0° |
| O2S | S | O1S | O3 | 121.0° | 122.9° |
| O2S | S | O3S | O3 | 121.9° | 113.6° |
| O2S | S | O3 | C3 | 69.5° | 38.6° |
| O2S | S | O3S | H8 | 119.1° | 66.5° |
| O1S | S | O3S | O3 | 119.0° | 113.5° |
| O1S | S | O3 | C3 | 170.3° | 171.5° |
| O1S | S | O3S | H8 | 0.0° | 66.4° |
| O3S | S | O3 | C3 | 51.5° | 75.0° |
| S | O3 | C3 | C2 | 111.5° | 95.0° |
| S | O3 | C3 | C4 | 125.7° | 145.4° |
| S | O3 | C3 | H3 | 6.3° | 25.3° |
| O3 | S | O3S | H8 | 119.0° | 180.0° |
| O3 | C3 | C2 | C4 | 125.0° | 119.8° |
| O3 | C3 | C2 | H3 | 118.5° | 120.3° |
| O3 | C3 | C4 | H3 | 120.2° | 120.2° |
| O3 | C3 | C2 | O2 | 62.1° | 56.9° |
| O3 | C3 | C2 | C1 | 176.3° | 176.9° |
| O3 | C3 | C4 | O4 | 57.3° | 63.3° |
| O3 | C3 | C4 | C5 | 177.5° | 176.8° |
| O3 | C3 | C2 | H2 | 57.7° | 63.2° |
| O3 | C3 | C4 | H4 | 64.5° | 57.0° |
| C2 | C3 | C4 | H3 | 116.7° | 119.9° |
| C3 | C2 | O2 | C1 | 121.9° | 119.8° |
| C3 | C2 | O2 | H2 | 119.0° | 120.1° |
| C3 | C2 | C1 | H2 | 118.6° | 119.9° |
| C3 | C2 | C1 | O1 | 66.2° | 62.3° |
| C3 | C2 | C1 | O5 | 55.0° | 57.6° |
| C2 | C3 | C4 | O4 | 179.6° | 176.9° |
| C2 | C3 | C4 | C5 | 59.3° | 57.0° |
| C3 | C2 | C1 | H1 | 174.3° | 177.6° |
| C2 | C3 | C4 | H4 | 58.6° | 62.9° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.7° |
| C4 | C3 | C2 | O2 | 62.9° | 62.9° |
| C4 | C3 | C2 | C1 | 58.8° | 57.0° |
| C3 | C4 | O4 | C5 | 117.2° | 119.6° |
| C3 | C4 | O4 | H4 | 121.0° | 120.2° |
| C3 | C4 | C5 | H4 | 118.0° | 119.9° |
| C3 | C4 | C5 | O5 | 59.5° | 57.6° |
| C3 | C4 | C5 | C6 | 179.8° | 177.6° |
| C4 | C3 | C2 | H2 | 177.4° | 177.0° |
| C3 | C4 | C5 | H5 | 59.9° | 62.4° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| O2 | C2 | C1 | H2 | 119.8° | 120.1° |
| O2 | C2 | C1 | O1 | 172.3° | 177.7° |
| O2 | C2 | C1 | O5 | 66.6° | 62.3° |
| O2 | C2 | C1 | H1 | 52.8° | 57.6° |
| O2 | C2 | C3 | H3 | 179.5° | 177.2° |
| C2 | C1 | O1 | O5 | 120.5° | 119.9° |
| C2 | C1 | O1 | H1 | 118.7° | 120.1° |
| C2 | C1 | O5 | H1 | 118.6° | 120.0° |
| C2 | C1 | O5 | C5 | 56.7° | 61.1° |
| C1 | C2 | C3 | H3 | 57.8° | 62.8° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | HO2 | 58.1° | 60.0° |
| O1 | C1 | O5 | H1 | 120.7° | 120.0° |
| O1 | C1 | O5 | C5 | 63.9° | 58.9° |
| O1 | C1 | C2 | H2 | 52.4° | 57.6° |
| C1 | O5 | C5 | C4 | 60.6° | 61.2° |
| C1 | O5 | C5 | C6 | 175.2° | 178.9° |
| O5 | C1 | C2 | H2 | 173.6° | 177.6° |
| C1 | O5 | C5 | H5 | 58.1° | 58.9° |
| O5 | C1 | O1 | HO1 | 59.5° | 60.0° |
| O4 | C4 | C5 | H4 | 122.6° | 120.2° |
| O4 | C4 | C5 | O5 | 178.9° | 177.5° |
| O4 | C4 | C5 | C6 | 60.4° | 62.5° |
| O4 | C4 | C3 | H3 | 62.9° | 56.9° |
| O4 | C4 | C5 | H5 | 59.4° | 57.5° |
| C4 | C5 | O5 | C6 | 124.2° | 119.9° |
| C4 | C5 | O5 | H5 | 118.7° | 120.0° |
| C4 | C5 | C6 | H5 | 119.7° | 120.0° |
| C5 | C4 | C3 | H3 | 57.3° | 62.9° |
| C4 | C5 | C6 | H61 | 180.0° | 60.1° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| C5 | C4 | O4 | HO4 | 62.8° | 60.4° |
| O5 | C5 | C6 | H5 | 117.8° | 120.0° |
| C5 | O5 | C1 | H1 | 175.4° | 178.8° |
| O5 | C5 | C4 | H4 | 58.5° | 62.3° |
| O5 | C5 | C6 | H61 | 57.5° | 180.0° |
| O5 | C5 | C6 | H62 | 62.5° | 60.1° |
| O5 | C5 | C6 | H63 | 177.5° | 59.9° |
| C6 | C5 | C4 | H4 | 62.2° | 57.7° |
| C5 | C6 | H61 | H62 | 120.0° | 119.9° |
| C5 | C6 | H61 | H63 | 120.0° | 120.1° |
| C5 | C6 | H62 | H63 | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 67.0° | 62.5° |
| H1 | C1 | O1 | HO1 | 61.3° | 59.9° |
| H2 | C2 | C3 | H3 | 60.8° | 57.1° |
| H2 | C2 | O2 | HO2 | 61.0° | 60.1° |
| H3 | C3 | C4 | H4 | 175.3° | 177.2° |
| H4 | C4 | C5 | H5 | 178.0° | 177.7° |
| H4 | C4 | O4 | HO4 | 59.0° | 59.8° |
| H5 | C5 | C6 | H61 | 60.3° | 60.0° |
| H5 | C5 | C6 | H62 | 179.7° | 59.9° |
| H5 | C5 | C6 | H63 | 59.7° | 180.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
