S6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.33Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | P | sing | 1.61Å | 1.66Å | |
| P | O1P | sing | 1.61Å | 1.54Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| P | O3P | doub | 1.48Å | 1.53Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 107.8° | 109.5° |
| C2 | C1 | H11 | 112.9° | 109.5° |
| C2 | C1 | H12 | 112.8° | 109.5° |
| C1 | C2 | C3 | 114.5° | 109.5° |
| C1 | C2 | O2 | 107.2° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| O1 | C1 | H11 | 112.8° | 109.5° |
| O1 | C1 | H12 | 112.8° | 109.5° |
| C1 | O1 | HO1 | 107.8° | 106.8° |
| H11 | C1 | H12 | 97.6° | 109.4° |
| C3 | C2 | O2 | 108.8° | 109.5° |
| C3 | C2 | H2 | 105.8° | 109.5° |
| C2 | C3 | C4 | 112.6° | 109.5° |
| C2 | C3 | O3 | 111.5° | 109.5° |
| C2 | C3 | H3 | 105.5° | 109.5° |
| O2 | C2 | H2 | 113.3° | 109.5° |
| C2 | O2 | HO2 | 107.2° | 106.8° |
| C4 | C3 | O3 | 108.2° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C3 | C4 | C5 | 113.5° | 109.4° |
| C3 | C4 | O4 | 108.3° | 109.5° |
| C3 | C4 | H4 | 107.2° | 109.5° |
| O3 | C3 | H3 | 110.1° | 109.4° |
| C3 | O3 | HO3 | 111.5° | 106.8° |
| C5 | C4 | O4 | 108.6° | 109.5° |
| C5 | C4 | H4 | 106.9° | 109.5° |
| C4 | C5 | C6 | 110.9° | 109.4° |
| C4 | C5 | O5 | 112.2° | 109.5° |
| C4 | C5 | H5 | 104.3° | 109.5° |
| O4 | C4 | H4 | 112.3° | 109.5° |
| C4 | O4 | HO4 | 108.3° | 106.7° |
| C6 | C5 | O5 | 100.7° | 109.5° |
| C6 | C5 | H5 | 115.2° | 109.4° |
| C5 | C6 | O6 | 106.3° | 109.5° |
| C5 | C6 | H61 | 113.4° | 109.5° |
| C5 | C6 | H62 | 113.4° | 109.5° |
| O5 | C5 | H5 | 113.9° | 109.5° |
| C5 | O5 | HO5 | 112.3° | 106.7° |
| O6 | C6 | H61 | 113.4° | 109.5° |
| O6 | C6 | H62 | 113.4° | 109.5° |
| C6 | O6 | P | 112.6° | 106.8° |
| H61 | C6 | H62 | 97.1° | 109.4° |
| O6 | P | O1P | 110.4° | 109.5° |
| O6 | P | O2P | 110.3° | 109.5° |
| O6 | P | O3P | 105.9° | 109.4° |
| O1P | P | O2P | 106.0° | 109.5° |
| O1P | P | O3P | 112.4° | 109.4° |
| P | O1P | H1P | 110.4° | 106.8° |
| O2P | P | O3P | 111.8° | 109.5° |
| P | O2P | H2P | 110.3° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H11 | 125.3° | 120.0° |
| C2 | C1 | O1 | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H12 | 118.7° | 120.0° |
| C1 | C2 | C3 | O2 | 119.9° | 120.0° |
| C1 | C2 | C3 | H2 | 118.0° | 120.0° |
| C1 | C2 | O2 | H2 | 118.3° | 120.0° |
| C1 | C2 | C3 | C4 | 81.1° | 175.0° |
| C1 | C2 | C3 | O3 | 40.7° | 55.0° |
| C1 | C2 | C3 | H3 | 160.2° | 65.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| O1 | C1 | H11 | H12 | 118.8° | 120.0° |
| O1 | C1 | C2 | C3 | 180.0° | 175.0° |
| O1 | C1 | C2 | O2 | 59.2° | 65.0° |
| O1 | C1 | C2 | H2 | 62.9° | 55.0° |
| H11 | C1 | C2 | C3 | 54.8° | 55.0° |
| H11 | C1 | C2 | O2 | 175.6° | 175.0° |
| H11 | C1 | C2 | H2 | 62.4° | 65.0° |
| H11 | C1 | O1 | HO1 | 54.7° | 60.0° |
| H12 | C1 | C2 | C3 | 54.7° | 65.0° |
| H12 | C1 | C2 | O2 | 66.1° | 55.0° |
| H12 | C1 | C2 | H2 | 171.8° | 175.0° |
| H12 | C1 | O1 | HO1 | 54.8° | 60.0° |
| C3 | C2 | O2 | H2 | 117.3° | 120.0° |
| C2 | C3 | C4 | O3 | 123.7° | 120.0° |
| C2 | C3 | C4 | H3 | 116.6° | 120.0° |
| C2 | C3 | O3 | H3 | 116.7° | 120.0° |
| C2 | C3 | C4 | C5 | 166.0° | 175.0° |
| C2 | C3 | C4 | O4 | 73.3° | 55.0° |
| C2 | C3 | C4 | H4 | 48.1° | 65.0° |
| C3 | C2 | O2 | HO2 | 55.6° | 60.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O2 | C2 | C3 | C4 | 38.8° | 55.0° |
| O2 | C2 | C3 | O3 | 160.6° | 65.0° |
| O2 | C2 | C3 | H3 | 79.9° | 175.0° |
| H2 | C2 | C3 | C4 | 160.8° | 65.0° |
| H2 | C2 | C3 | O3 | 77.3° | 175.0° |
| H2 | C2 | C3 | H3 | 42.2° | 55.0° |
| H2 | C2 | O2 | HO2 | 61.7° | 180.0° |
| C4 | C3 | O3 | H3 | 118.9° | 120.0° |
| C3 | C4 | C5 | O4 | 120.5° | 120.0° |
| C3 | C4 | C5 | H4 | 118.0° | 120.0° |
| C3 | C4 | O4 | H4 | 118.2° | 120.0° |
| C3 | C4 | C5 | C6 | 175.6° | 180.0° |
| C3 | C4 | C5 | O5 | 63.8° | 60.0° |
| C3 | C4 | C5 | H5 | 59.9° | 60.1° |
| C4 | C3 | O3 | HO3 | 55.6° | 60.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O3 | C3 | C4 | C5 | 70.3° | 55.0° |
| O3 | C3 | C4 | O4 | 50.4° | 65.0° |
| O3 | C3 | C4 | H4 | 171.8° | 175.0° |
| H3 | C3 | C4 | C5 | 49.4° | 65.0° |
| H3 | C3 | C4 | O4 | 170.1° | 175.0° |
| H3 | C3 | C4 | H4 | 68.5° | 55.0° |
| H3 | C3 | O3 | HO3 | 63.3° | 180.0° |
| C5 | C4 | O4 | H4 | 118.0° | 120.0° |
| C4 | C5 | C6 | O5 | 119.0° | 120.0° |
| C4 | C5 | C6 | H5 | 118.1° | 120.0° |
| C4 | C5 | O5 | H5 | 118.2° | 120.1° |
| C4 | C5 | C6 | O6 | 51.1° | 175.0° |
| C4 | C5 | C6 | H61 | 176.4° | 55.0° |
| C4 | C5 | C6 | H62 | 74.1° | 65.0° |
| C5 | C4 | O4 | HO4 | 56.3° | 60.0° |
| C4 | C5 | O5 | HO5 | 180.0° | 59.9° |
| O4 | C4 | C5 | C6 | 63.9° | 60.0° |
| O4 | C4 | C5 | O5 | 175.6° | 180.0° |
| O4 | C4 | C5 | H5 | 60.6° | 60.0° |
| H4 | C4 | C5 | C6 | 57.5° | 60.0° |
| H4 | C4 | C5 | O5 | 54.2° | 60.0° |
| H4 | C4 | C5 | H5 | 178.0° | 180.0° |
| H4 | C4 | O4 | HO4 | 61.8° | 180.0° |
| C6 | C5 | O5 | H5 | 123.8° | 119.9° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| C6 | C5 | O5 | HO5 | 62.0° | 60.1° |
| C5 | C6 | O6 | P | 178.9° | 180.0° |
| O5 | C5 | C6 | O6 | 170.1° | 65.0° |
| O5 | C5 | C6 | H61 | 64.6° | 175.0° |
| O5 | C5 | C6 | H62 | 44.8° | 55.0° |
| H5 | C5 | C6 | O6 | 66.9° | 55.0° |
| H5 | C5 | C6 | H61 | 58.3° | 65.0° |
| H5 | C5 | C6 | H62 | 167.8° | 175.0° |
| H5 | C5 | O5 | HO5 | 61.8° | 180.0° |
| O6 | C6 | H61 | H62 | 119.3° | 120.0° |
| C6 | O6 | P | O1P | 58.7° | 175.0° |
| C6 | O6 | P | O2P | 58.1° | 65.0° |
| C6 | O6 | P | O3P | 179.3° | 55.0° |
| H61 | C6 | O6 | P | 55.9° | 60.0° |
| H62 | C6 | O6 | P | 53.6° | 60.0° |
| O6 | P | O1P | O2P | 119.4° | 120.0° |
| O6 | P | O1P | O3P | 118.0° | 119.9° |
| O6 | P | O2P | O3P | 117.6° | 120.0° |
| O6 | P | O1P | H1P | 180.0° | 180.0° |
| O6 | P | O2P | H2P | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 122.9° | 120.0° |
| O1P | P | O2P | H2P | 60.5° | 60.0° |
| O2P | P | O1P | H1P | 60.6° | 60.0° |
| O3P | P | O1P | H1P | 61.9° | 60.1° |
| O3P | P | O2P | H2P | 62.3° | 180.0° |
