A1H1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O6A | C6 | doub | 1.21Å | 1.29Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| O3 | S1 | sing | 1.52Å | 1.58Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C6 | O6B | sing | 1.34Å | 1.42Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| O23 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | O24 | doub | 1.42Å | 1.55Å | |
| S1 | O22 | sing | 1.52Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6B | HO6B | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| O22 | H5 | 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) |
| O5 | C1 | C2 | 111.0° | 109.4° |
| C1 | O5 | C5 | 114.5° | 114.1° |
| O5 | C1 | H1 | 108.0° | 109.5° |
| O5 | C1 | O1 | 113.4° | 109.5° |
| C1 | C2 | O2 | 109.8° | 109.5° |
| C1 | C2 | C3 | 112.7° | 109.1° |
| C2 | C1 | H1 | 106.8° | 109.5° |
| C1 | C2 | H6 | 107.8° | 109.5° |
| C2 | C1 | O1 | 109.1° | 109.5° |
| O5 | C5 | C6 | 107.2° | 109.5° |
| O5 | C5 | C4 | 108.4° | 109.4° |
| O5 | C5 | H2 | 110.1° | 109.5° |
| O2 | C2 | C3 | 109.7° | 109.5° |
| O2 | C2 | H6 | 109.1° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 108.5° | 109.5° |
| C2 | C3 | C4 | 110.9° | 109.1° |
| C3 | C2 | H6 | 107.7° | 109.7° |
| C2 | C3 | H3 | 109.0° | 109.5° |
| O6A | C6 | C5 | 110.2° | 120.0° |
| O6A | C6 | O6B | 115.7° | 120.0° |
| C6 | C5 | C4 | 113.2° | 109.5° |
| C5 | C6 | O6B | 110.8° | 120.0° |
| C6 | C5 | H2 | 109.1° | 109.5° |
| C5 | C4 | C3 | 109.5° | 109.2° |
| C5 | C4 | O4 | 109.4° | 109.5° |
| C5 | C4 | H4 | 109.5° | 109.6° |
| C4 | C5 | H2 | 108.9° | 109.4° |
| C3 | O3 | S1 | 124.1° | 114.0° |
| O3 | C3 | C4 | 109.3° | 109.6° |
| O3 | C3 | H3 | 110.2° | 109.7° |
| O3 | S1 | O23 | 107.1° | 106.4° |
| O3 | S1 | O24 | 106.7° | 106.4° |
| O3 | S1 | O22 | 111.0° | 107.2° |
| C3 | C4 | O4 | 108.1° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C6 | O6B | HO6B | 109.5° | 117.0° |
| O4 | C4 | H4 | 110.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O23 | S1 | O24 | 107.8° | 123.2° |
| O23 | S1 | O22 | 115.7° | 106.4° |
| O24 | S1 | O22 | 108.2° | 106.4° |
| S1 | O22 | H5 | 109.5° | 114.0° |
| H1 | C1 | O1 | 108.4° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | H1 | 117.4° | 120.0° |
| O5 | C1 | C2 | O1 | 125.6° | 120.0° |
| O5 | C1 | C2 | O2 | 74.4° | 62.3° |
| O5 | C1 | C2 | C3 | 48.1° | 57.6° |
| C1 | O5 | C5 | C6 | 173.6° | 178.8° |
| C1 | O5 | C5 | C4 | 63.9° | 61.2° |
| C1 | O5 | C5 | H2 | 55.1° | 58.8° |
| O5 | C1 | H1 | O1 | 123.2° | 120.1° |
| O5 | C1 | C2 | H6 | 166.8° | 177.6° |
| O5 | C1 | O1 | HO1 | 180.0° | 59.9° |
| C2 | C1 | O5 | C5 | 57.6° | 61.2° |
| C1 | C2 | O2 | C3 | 124.3° | 119.6° |
| C1 | C2 | O2 | H6 | 117.9° | 120.1° |
| C1 | C2 | C3 | H6 | 118.7° | 119.9° |
| C1 | C2 | C3 | O3 | 72.3° | 63.0° |
| C1 | C2 | C3 | C4 | 47.7° | 56.9° |
| C2 | C1 | H1 | O1 | 117.4° | 120.0° |
| C1 | C2 | C3 | H3 | 167.8° | 176.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C2 | C1 | O1 | HO1 | 55.8° | 179.9° |
| O5 | C5 | C6 | O6A | 64.7° | 4.9° |
| O5 | C5 | C6 | C4 | 119.4° | 120.0° |
| O5 | C5 | C6 | H2 | 119.2° | 120.1° |
| O5 | C5 | C4 | H2 | 119.8° | 120.0° |
| O5 | C5 | C4 | C3 | 60.1° | 57.6° |
| O5 | C5 | C6 | O6B | 64.7° | 175.1° |
| O5 | C5 | C4 | O4 | 58.2° | 62.2° |
| O5 | C5 | C4 | H4 | 179.8° | 177.6° |
| C5 | O5 | C1 | H1 | 174.3° | 178.9° |
| C5 | O5 | C1 | O1 | 65.6° | 58.8° |
| O2 | C2 | C3 | H6 | 118.7° | 120.2° |
| O2 | C2 | C3 | O3 | 165.1° | 177.2° |
| O2 | C2 | C3 | C4 | 74.9° | 62.9° |
| O2 | C2 | C1 | H1 | 43.0° | 57.7° |
| O2 | C2 | C3 | H3 | 45.2° | 56.9° |
| O2 | C2 | C1 | O1 | 159.9° | 177.7° |
| C2 | C3 | C4 | C5 | 53.5° | 57.0° |
| C2 | C3 | O3 | C4 | 121.0° | 119.6° |
| C2 | C3 | O3 | H3 | 119.2° | 120.2° |
| C2 | C3 | O3 | S1 | 171.7° | 95.0° |
| C2 | C3 | C4 | H3 | 120.0° | 119.8° |
| C2 | C3 | C4 | O4 | 65.6° | 62.9° |
| C2 | C3 | C4 | H4 | 173.6° | 177.0° |
| C3 | C2 | C1 | H1 | 165.5° | 177.5° |
| C3 | C2 | O2 | HO2 | 55.7° | 179.6° |
| C3 | C2 | C1 | O1 | 77.5° | 62.5° |
| O6A | C6 | C5 | O6B | 129.3° | 180.0° |
| O6A | C6 | C5 | C4 | 175.9° | 115.0° |
| O6A | C6 | C5 | H2 | 54.5° | 125.0° |
| O6A | C6 | O6B | HO6B | 0.0° | 0.0° |
| C6 | C5 | C4 | H2 | 121.5° | 120.0° |
| C6 | C5 | C4 | C3 | 178.9° | 177.6° |
| C6 | C5 | C4 | O4 | 60.6° | 57.8° |
| C6 | C5 | C4 | H4 | 61.1° | 62.4° |
| C5 | C6 | O6B | HO6B | 126.4° | 180.0° |
| C5 | C4 | C3 | O3 | 66.0° | 62.9° |
| C5 | C4 | C3 | O4 | 119.1° | 119.9° |
| C5 | C4 | C3 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | O6B | 54.8° | 65.0° |
| C5 | C4 | O4 | H4 | 120.9° | 120.2° |
| C5 | C4 | C3 | H3 | 173.5° | 176.8° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.2° |
| O3 | C3 | C4 | H3 | 120.5° | 120.3° |
| O3 | C3 | C4 | O4 | 174.9° | 177.3° |
| C3 | O3 | S1 | O23 | 173.9° | 171.4° |
| C3 | O3 | S1 | O24 | 58.7° | 38.5° |
| C3 | O3 | S1 | O22 | 59.0° | 75.0° |
| O3 | C3 | C4 | H4 | 54.1° | 57.1° |
| O3 | C3 | C2 | H6 | 46.5° | 57.0° |
| S1 | O3 | C3 | C4 | 67.4° | 145.4° |
| O3 | S1 | O23 | O24 | 114.4° | 122.9° |
| O3 | S1 | O23 | O22 | 124.3° | 114.1° |
| O3 | S1 | O24 | O22 | 119.5° | 114.1° |
| S1 | O3 | C3 | H3 | 52.4° | 25.2° |
| O3 | S1 | O22 | H5 | 116.7° | 180.0° |
| C3 | C4 | O4 | H4 | 120.0° | 120.1° |
| C3 | C4 | C5 | H2 | 59.7° | 62.4° |
| C4 | C3 | C2 | H6 | 166.5° | 176.9° |
| C3 | C4 | O4 | HO4 | 60.8° | 179.9° |
| O6B | C6 | C5 | H2 | 176.2° | 55.0° |
| O4 | C4 | C5 | H2 | 178.0° | 177.7° |
| O4 | C4 | C3 | H3 | 54.5° | 56.9° |
| O23 | S1 | O24 | O22 | 125.8° | 123.0° |
| O23 | S1 | O22 | H5 | 121.1° | 66.5° |
| O24 | S1 | O22 | H5 | 0.0° | 66.5° |
| H4 | C4 | C5 | H2 | 60.4° | 57.5° |
| H4 | C4 | C3 | H3 | 66.4° | 63.2° |
| H4 | C4 | O4 | HO4 | 59.1° | 60.0° |
| H1 | C1 | C2 | H6 | 75.7° | 62.4° |
| H1 | C1 | O1 | HO1 | 60.1° | 60.1° |
| H6 | C2 | C3 | H3 | 73.5° | 63.3° |
| H6 | C2 | O2 | HO2 | 62.1° | 60.1° |
| H6 | C2 | C1 | O1 | 41.2° | 57.6° |
