OSF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | O1 | sing | 1.52Å | 1.72Å | |
| S | O2 | doub | 1.45Å | 1.69Å | |
| S | O3 | sing | 1.46Å | 1.69Å | |
| S | O4 | doub | 1.45Å | 1.69Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O2 | 110.3° | 106.8° |
| O1 | S | O3 | 110.6° | 106.8° |
| O1 | S | O4 | 109.1° | 106.8° |
| S | O1 | C1 | 110.2° | 114.0° |
| O2 | S | O3 | 108.7° | 112.0° |
| O2 | S | O4 | 109.2° | 112.0° |
| O3 | S | O4 | 109.0° | 112.0° |
| O1 | C1 | C2 | 112.6° | 109.5° |
| O1 | C1 | H1 | 108.4° | 109.5° |
| O1 | C1 | H1A | 107.7° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.4° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C2 | C1 | H1A | 107.7° | 109.4° |
| C1 | C2 | H2 | 109.2° | 109.4° |
| C1 | C2 | H2A | 109.1° | 109.4° |
| C2 | C3 | C4 | 113.4° | 109.4° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C3 | C2 | H2A | 109.1° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.5° |
| C2 | C3 | H3A | 107.3° | 109.5° |
| C3 | C4 | C5 | 111.3° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C4 | C3 | H3A | 107.3° | 109.4° |
| C3 | C4 | H4 | 108.9° | 109.5° |
| C3 | C4 | H4A | 108.4° | 109.5° |
| C4 | C5 | C6 | 112.3° | 109.5° |
| C5 | C4 | H4 | 108.9° | 109.4° |
| C5 | C4 | H4A | 108.4° | 109.5° |
| C4 | C5 | H5 | 108.5° | 109.4° |
| C4 | C5 | H5A | 107.9° | 109.5° |
| C5 | C6 | C7 | 110.8° | 109.4° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C6 | C5 | H5A | 107.9° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.4° |
| C5 | C6 | H6A | 108.7° | 109.5° |
| C6 | C7 | C8 | 110.5° | 109.4° |
| C7 | C6 | H6 | 109.0° | 109.5° |
| C7 | C6 | H6A | 108.7° | 109.5° |
| C6 | C7 | H7 | 109.1° | 109.5° |
| C6 | C7 | H7A | 108.9° | 109.5° |
| C8 | C7 | H7 | 109.2° | 109.4° |
| C8 | C7 | H7A | 108.9° | 109.4° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| H1 | C1 | H1A | 112.0° | 109.5° |
| H2 | C2 | H2A | 110.0° | 109.5° |
| H3 | C3 | H3A | 112.6° | 109.5° |
| H4 | C4 | H4A | 110.9° | 109.4° |
| H5 | C5 | H5A | 111.7° | 109.4° |
| H6 | C6 | H6A | 110.5° | 109.5° |
| H7 | C7 | H7A | 110.3° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O2 | O3 | 121.3° | 116.6° |
| O1 | S | O2 | O4 | 119.9° | 116.6° |
| O1 | S | O3 | O4 | 119.9° | 116.6° |
| S | O1 | C1 | C2 | 179.7° | 180.0° |
| S | O1 | C1 | H1 | 59.7° | 60.0° |
| S | O1 | C1 | H1A | 61.6° | 60.0° |
| O2 | S | O3 | O4 | 118.9° | 126.9° |
| O2 | S | O1 | C1 | 179.6° | 45.0° |
| O3 | S | O1 | C1 | 60.2° | 75.0° |
| O4 | S | O1 | C1 | 59.7° | 165.0° |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1A | 118.6° | 120.0° |
| O1 | C1 | C2 | C3 | 60.3° | 180.0° |
| O1 | C1 | H1 | H1A | 118.7° | 120.0° |
| O1 | C1 | C2 | H2 | 179.7° | 60.0° |
| O1 | C1 | C2 | H2A | 59.4° | 60.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 119.8° | 120.0° |
| C1 | C2 | C3 | C4 | 178.6° | NaN° |
| C2 | C1 | H1 | H1A | 118.7° | 120.0° |
| C1 | C2 | H2 | H2A | 119.8° | 120.0° |
| C1 | C2 | C3 | H3 | 61.4° | 60.0° |
| C1 | C2 | C3 | H3A | 60.3° | 60.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 118.3° | 120.0° |
| C2 | C3 | C4 | C5 | 60.5° | 180.0° |
| C3 | C2 | C1 | H1 | 59.7° | 60.0° |
| C3 | C2 | C1 | H1A | 178.9° | 60.0° |
| C3 | C2 | H2 | H2A | 119.7° | 120.1° |
| C2 | C3 | H3 | H3A | 118.4° | 120.0° |
| C2 | C3 | C4 | H4 | 59.5° | 60.0° |
| C2 | C3 | C4 | H4A | 179.7° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 119.2° | 120.0° |
| C3 | C4 | C5 | C6 | 178.4° | 180.0° |
| C4 | C3 | C2 | H2 | 58.6° | 60.0° |
| C4 | C3 | C2 | H2A | 61.6° | 60.0° |
| C4 | C3 | H3 | H3A | 118.4° | 120.0° |
| C3 | C4 | H4 | H4A | 119.3° | 120.0° |
| C3 | C4 | C5 | H5 | 58.4° | 60.0° |
| C3 | C4 | C5 | H5A | 62.8° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 118.8° | 120.0° |
| C4 | C5 | C6 | C7 | 61.3° | 180.0° |
| C5 | C4 | C3 | H3 | 179.5° | 60.0° |
| C5 | C4 | C3 | H3A | 57.8° | 60.0° |
| C5 | C4 | H4 | H4A | 119.2° | 120.0° |
| C4 | C5 | H5 | H5A | 118.8° | 120.0° |
| C4 | C5 | C6 | H6 | 178.7° | 60.0° |
| C4 | C5 | C6 | H6A | 58.1° | 59.9° |
| C5 | C6 | C7 | H6 | 120.0° | 119.9° |
| C5 | C6 | C7 | H6A | 119.4° | 120.0° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C6 | C5 | C4 | H4 | 61.6° | 60.0° |
| C6 | C5 | C4 | H4A | 59.2° | 59.9° |
| C6 | C5 | H5 | H5A | 118.9° | 120.1° |
| C5 | C6 | H6 | H6A | 119.5° | 120.0° |
| C5 | C6 | C7 | H7 | 60.3° | 60.1° |
| C5 | C6 | C7 | H7A | 60.2° | 60.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 119.6° | 120.0° |
| C7 | C6 | C5 | H5 | 58.7° | 60.0° |
| C7 | C6 | C5 | H5A | 179.9° | 60.0° |
| C7 | C6 | H6 | H6A | 119.5° | 120.1° |
| C6 | C7 | H7 | H7A | 119.6° | 120.1° |
| C6 | C7 | C8 | H8 | 32.2° | 59.9° |
| C6 | C7 | C8 | H8A | 87.8° | 180.0° |
| C6 | C7 | C8 | H8B | 152.2° | 60.0° |
| C8 | C7 | C6 | H6 | 59.8° | 60.0° |
| C8 | C7 | C6 | H6A | 60.8° | 60.0° |
| C8 | C7 | H7 | H7A | 119.6° | 120.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 60.3° | 180.0° |
| H1 | C1 | C2 | H2A | 179.4° | 60.0° |
| H1A | C1 | C2 | H2 | 61.1° | 60.0° |
| H1A | C1 | C2 | H2A | 59.2° | 180.0° |
| H2 | C2 | C3 | H3 | 178.6° | 180.0° |
| H2 | C2 | C3 | H3A | 59.7° | 59.9° |
| H2A | C2 | C3 | H3 | 58.4° | 60.0° |
| H2A | C2 | C3 | H3A | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 60.5° | 180.0° |
| H3 | C3 | C4 | H4A | 60.3° | 60.0° |
| H3A | C3 | C4 | H4 | 177.8° | 60.0° |
| H3A | C3 | C4 | H4A | 61.4° | 180.0° |
| H4 | C4 | C5 | H5 | 178.4° | NaN° |
| H4 | C4 | C5 | H5A | 57.2° | 60.1° |
| H4A | C4 | C5 | H5 | 60.8° | 60.1° |
| H4A | C4 | C5 | H5A | 178.0° | 180.0° |
| H5 | C5 | C6 | H6 | 61.3° | 180.0° |
| H5 | C5 | C6 | H6A | 178.1° | 60.0° |
| H5A | C5 | C6 | H6 | 59.9° | 60.0° |
| H5A | C5 | C6 | H6A | 60.7° | 180.0° |
| H6 | C6 | C7 | H7 | 179.8° | 180.0° |
| H6 | C6 | C7 | H7A | 59.8° | 59.9° |
| H6A | C6 | C7 | H7 | 59.2° | 59.9° |
| H6A | C6 | C7 | H7A | 179.6° | 180.0° |
| H7 | C7 | C8 | H8 | 152.2° | 60.0° |
| H7 | C7 | C8 | H8A | 32.2° | 60.0° |
| H7 | C7 | C8 | H8B | 87.8° | 180.0° |
| H7A | C7 | C8 | H8 | 87.4° | 180.0° |
| H7A | C7 | C8 | H8A | 152.6° | 60.0° |
| H7A | C7 | C8 | H8B | 32.6° | 60.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
