A1H0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | S | sing | 1.52Å | 1.59Å | |
| O3S | S | doub | 1.42Å | 1.45Å | |
| S | O2S | doub | 1.42Å | 1.44Å | |
| S | O1S | sing | 1.52Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.48Å | |
| 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 | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O1S | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 111.2° | 109.4° |
| O6 | C6 | H61 | 109.1° | 109.4° |
| O6 | C6 | H62 | 109.0° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 113.9° |
| C6 | C5 | O5 | 109.5° | 109.5° |
| C6 | C5 | C4 | 112.4° | 109.4° |
| C6 | C5 | H5 | 107.1° | 109.5° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O5 | C5 | C4 | 112.5° | 109.4° |
| C5 | O5 | C1 | 114.0° | 114.1° |
| O5 | C5 | H5 | 108.1° | 109.5° |
| C5 | C4 | O4 | 109.5° | 109.5° |
| C5 | C4 | C3 | 110.8° | 109.1° |
| C5 | C4 | H4 | 109.1° | 109.5° |
| C4 | C5 | H5 | 107.0° | 109.5° |
| O5 | C1 | C2 | 105.2° | 109.4° |
| O5 | C1 | O1 | 115.8° | 109.5° |
| O5 | C1 | H1 | 109.0° | 109.5° |
| O4 | C4 | C3 | 107.7° | 109.6° |
| O4 | C4 | H4 | 110.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| C4 | C3 | C2 | 113.2° | 109.1° |
| C4 | C3 | O3 | 110.0° | 109.5° |
| C4 | C3 | H3 | 107.2° | 109.6° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| O2 | C2 | C1 | 109.2° | 109.5° |
| O2 | C2 | C3 | 112.3° | 109.6° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C1 | C2 | C3 | 108.6° | 109.1° |
| C2 | C1 | O1 | 110.3° | 109.5° |
| C2 | C1 | H1 | 107.8° | 109.4° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| C2 | C3 | O3 | 111.0° | 109.6° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| C2 | C3 | H3 | 107.1° | 109.6° |
| C3 | O3 | S | 110.2° | 114.0° |
| O3 | C3 | H3 | 108.2° | 109.6° |
| O3 | S | O3S | 107.0° | 106.4° |
| O3 | S | O2S | 107.8° | 106.4° |
| O3 | S | O1S | 111.7° | 107.2° |
| O3S | S | O2S | 110.0° | 123.2° |
| O3S | S | O1S | 110.3° | 106.4° |
| O2S | S | O1S | 110.0° | 106.4° |
| S | O1S | H12 | 109.5° | 114.0° |
| O1 | C1 | H1 | 108.4° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.3° | 120.0° |
| O6 | C6 | C5 | H62 | 120.3° | 119.9° |
| O6 | C6 | C5 | O5 | 77.6° | 65.0° |
| O6 | C6 | C5 | C4 | 156.6° | 175.0° |
| O6 | C6 | C5 | H5 | 39.3° | 55.0° |
| O6 | C6 | H61 | H62 | 119.2° | 120.0° |
| C6 | C5 | O5 | C4 | 125.7° | 120.0° |
| C6 | C5 | O5 | H5 | 116.3° | 120.0° |
| C6 | C5 | C4 | H5 | 117.3° | 120.0° |
| C6 | C5 | O5 | C1 | 175.8° | 178.9° |
| C6 | C5 | C4 | O4 | 73.5° | 62.4° |
| C6 | C5 | C4 | C3 | 167.8° | 177.6° |
| C6 | C5 | C4 | H4 | 47.5° | 57.7° |
| C5 | C6 | H61 | H62 | 119.2° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C4 | H5 | 118.6° | 120.0° |
| O5 | C5 | C4 | O4 | 162.4° | 177.5° |
| O5 | C5 | C4 | C3 | 43.7° | 57.6° |
| C5 | O5 | C1 | C2 | 67.6° | 61.2° |
| C5 | O5 | C1 | O1 | 54.5° | 58.8° |
| C5 | O5 | C1 | H1 | 177.0° | 178.9° |
| O5 | C5 | C4 | H4 | 76.6° | 62.3° |
| O5 | C5 | C6 | H61 | 42.6° | 175.0° |
| O5 | C5 | C6 | H62 | 162.1° | 54.9° |
| C4 | C5 | O5 | C1 | 58.5° | 61.2° |
| C5 | C4 | O4 | C3 | 120.6° | 119.7° |
| C5 | C4 | O4 | H4 | 120.2° | 120.2° |
| C5 | C4 | C3 | H4 | 120.2° | 119.9° |
| C5 | C4 | C3 | C2 | 44.3° | 56.9° |
| C5 | C4 | C3 | O3 | 169.1° | 176.8° |
| C5 | C4 | C3 | H3 | 73.4° | 63.0° |
| C4 | C5 | C6 | H61 | 83.2° | 55.1° |
| C4 | C5 | C6 | H62 | 36.3° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.3° |
| O5 | C1 | C2 | O2 | 58.8° | 62.4° |
| O5 | C1 | C2 | O1 | 125.6° | 120.0° |
| O5 | C1 | C2 | H1 | 116.2° | 119.9° |
| O5 | C1 | C2 | C3 | 64.0° | 57.6° |
| O5 | C1 | O1 | H1 | 122.8° | 120.0° |
| O5 | C1 | C2 | H2 | 178.3° | 177.5° |
| C1 | O5 | C5 | H5 | 59.5° | 58.8° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O4 | C4 | C3 | H4 | 120.0° | 120.2° |
| O4 | C4 | C3 | C2 | 164.1° | 176.9° |
| O4 | C4 | C3 | O3 | 71.1° | 63.2° |
| O4 | C4 | C3 | H3 | 46.4° | 57.0° |
| O4 | C4 | C5 | H5 | 43.8° | 57.6° |
| C4 | C3 | C2 | O2 | 65.4° | 63.0° |
| C4 | C3 | C2 | C1 | 55.5° | 57.0° |
| C4 | C3 | C2 | O3 | 124.2° | 119.9° |
| C4 | C3 | C2 | H3 | 117.9° | 119.9° |
| C4 | C3 | O3 | H3 | 116.8° | 120.2° |
| C4 | C3 | O3 | S | 137.7° | 145.4° |
| C4 | C3 | C2 | H2 | 173.3° | 176.8° |
| C3 | C4 | C5 | H5 | 74.9° | 62.4° |
| C3 | C4 | O4 | HO4 | 59.4° | 180.0° |
| O2 | C2 | C1 | C3 | 122.8° | 120.0° |
| O2 | C2 | C1 | H2 | 119.5° | 120.1° |
| O2 | C2 | C3 | H2 | 121.3° | 120.2° |
| O2 | C2 | C3 | O3 | 58.9° | 56.9° |
| O2 | C2 | C1 | O1 | 175.6° | 177.6° |
| O2 | C2 | C1 | H1 | 57.4° | 57.6° |
| O2 | C2 | C3 | H3 | 176.8° | 177.1° |
| C1 | C2 | C3 | H2 | 117.8° | 119.9° |
| C1 | C2 | C3 | O3 | 179.8° | 176.8° |
| C2 | C1 | O1 | H1 | 117.8° | 120.0° |
| C1 | C2 | C3 | H3 | 62.3° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C2 | C1 | O1 | HO1 | 60.6° | 180.0° |
| C2 | C3 | O3 | H3 | 117.2° | 120.2° |
| C2 | C3 | O3 | S | 96.3° | 95.0° |
| C3 | C2 | C1 | O1 | 61.6° | 62.4° |
| C3 | C2 | C1 | H1 | 179.8° | 177.6° |
| C2 | C3 | C4 | H4 | 75.9° | 62.9° |
| C3 | C2 | O2 | HO2 | 59.5° | 179.7° |
| C3 | O3 | S | O3S | 68.0° | 38.5° |
| C3 | O3 | S | O2S | 173.8° | 171.5° |
| C3 | O3 | S | O1S | 52.8° | 74.9° |
| O3 | C3 | C2 | H2 | 62.5° | 63.3° |
| O3 | C3 | C4 | H4 | 48.9° | 57.0° |
| O3 | S | O3S | O2S | 116.8° | 123.0° |
| O3 | S | O3S | O1S | 121.7° | 114.0° |
| O3 | S | O2S | O1S | 122.0° | 114.1° |
| S | O3 | C3 | H3 | 20.9° | 25.2° |
| O3 | S | O1S | H12 | 119.7° | 180.0° |
| O3S | S | O2S | O1S | 121.7° | 122.9° |
| O3S | S | O1S | H12 | 121.5° | 66.6° |
| O2S | S | O1S | H12 | 0.0° | 66.4° |
| O1 | C1 | C2 | H2 | 56.1° | 57.5° |
| H1 | C1 | C2 | H2 | 62.1° | 62.6° |
| H1 | C1 | O1 | HO1 | 57.2° | 60.0° |
| H2 | C2 | C3 | H3 | 55.4° | 56.9° |
| H2 | C2 | O2 | HO2 | 61.1° | 60.2° |
| H3 | C3 | C4 | H4 | 166.3° | 177.1° |
| H4 | C4 | C5 | H5 | 164.8° | 177.7° |
| H4 | C4 | O4 | HO4 | 59.8° | 59.8° |
| H5 | C5 | C6 | H61 | 159.6° | 64.9° |
| H5 | C5 | C6 | H62 | 81.0° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.1° |
