HSX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C1 | sing | 1.44Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | C4 | sing | 1.44Å | 1.45Å | |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.55Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| P' | O5 | sing | 1.61Å | 1.61Å | |
| O1X | P' | doub | 1.48Å | 1.47Å | |
| O3X | P' | sing | 1.61Å | 1.61Å | |
| P' | O2X | sing | 1.61Å | 1.61Å | |
| O2X | HO2X | sing | 0.97Å | 0.95Å | |
| O3X | HO3X | 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) |
| O4 | C1 | O1 | 112.8° | 109.9° |
| O4 | C1 | C2 | 105.1° | 107.4° |
| O4 | C1 | H1 | 109.3° | 110.0° |
| C1 | O4 | C4 | 103.6° | 106.9° |
| O1 | C1 | C2 | 106.7° | 109.9° |
| O1 | C1 | H1 | 107.8° | 109.8° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | H1 | 115.2° | 109.9° |
| C1 | C2 | C3 | 98.1° | 104.2° |
| C1 | C2 | O2 | 107.7° | 110.5° |
| C1 | C2 | H2 | 118.1° | 110.5° |
| O4 | C4 | C3 | 107.7° | 103.5° |
| O4 | C4 | C5 | 109.3° | 110.6° |
| O4 | C4 | H4 | 111.5° | 110.6° |
| C3 | C2 | O2 | 111.0° | 110.4° |
| C3 | C2 | H2 | 115.1° | 110.6° |
| C2 | C3 | C4 | 104.1° | 102.1° |
| C2 | C3 | O3 | 111.1° | 110.9° |
| C2 | C3 | H3 | 110.9° | 110.9° |
| O2 | C2 | H2 | 106.6° | 110.5° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| C4 | C3 | O3 | 106.1° | 110.9° |
| C4 | C3 | H3 | 115.4° | 111.0° |
| C3 | C4 | C5 | 111.6° | 110.6° |
| C3 | C4 | H4 | 109.2° | 110.7° |
| O3 | C3 | H3 | 109.0° | 110.8° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | H4 | 107.6° | 110.7° |
| C4 | C5 | O5 | 104.4° | 109.5° |
| C4 | C5 | H51 | 111.2° | 109.4° |
| C4 | C5 | H52 | 112.3° | 109.5° |
| O5 | C5 | H51 | 111.2° | 109.5° |
| O5 | C5 | H52 | 112.3° | 109.4° |
| C5 | O5 | P' | 124.0° | 123.0° |
| H51 | C5 | H52 | 105.6° | 109.5° |
| O5 | P' | O1X | 104.3° | 109.5° |
| O5 | P' | O3X | 110.9° | 109.4° |
| O5 | P' | O2X | 108.7° | 109.4° |
| O1X | P' | O3X | 112.2° | 109.5° |
| O1X | P' | O2X | 109.6° | 109.5° |
| O3X | P' | O2X | 110.9° | 109.5° |
| P' | O3X | HO3X | 109.5° | 114.0° |
| P' | O2X | HO2X | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C1 | O1 | C2 | 114.9° | 117.9° |
| O4 | C1 | O1 | H1 | 120.8° | 121.1° |
| O4 | C1 | C2 | H1 | 120.4° | 119.6° |
| O4 | C1 | C2 | C3 | 46.1° | 2.0° |
| O4 | C1 | C2 | O2 | 161.3° | 120.6° |
| O4 | C1 | C2 | H2 | 78.0° | 116.8° |
| C1 | O4 | C4 | C3 | 20.0° | 40.1° |
| C1 | O4 | C4 | C5 | 141.3° | 158.5° |
| C1 | O4 | C4 | H4 | 99.8° | 78.5° |
| O4 | C1 | O1 | HO1 | 19.3° | 62.0° |
| O1 | C1 | C2 | H1 | 119.6° | 121.0° |
| O1 | C1 | O4 | C4 | 73.9° | 93.0° |
| O1 | C1 | C2 | C3 | 73.9° | 117.4° |
| O1 | C1 | C2 | O2 | 41.2° | 1.2° |
| O1 | C1 | C2 | H2 | 161.9° | 123.8° |
| C2 | C1 | O4 | C4 | 42.0° | 26.5° |
| C1 | C2 | C3 | O2 | 112.5° | 118.6° |
| C1 | C2 | C3 | H2 | 126.3° | 118.8° |
| C1 | C2 | O2 | H2 | 127.7° | 122.6° |
| C1 | C2 | O2 | HO2 | 58.2° | 61.6° |
| C1 | C2 | C3 | C4 | 31.8° | 20.9° |
| C1 | C2 | C3 | O3 | 82.0° | 139.1° |
| C1 | C2 | C3 | H3 | 156.6° | 97.4° |
| C2 | C1 | O1 | HO1 | 134.2° | 180.0° |
| H1 | C1 | O4 | C4 | 166.2° | 146.0° |
| H1 | C1 | C2 | C3 | 166.5° | 121.6° |
| H1 | C1 | C2 | O2 | 78.3° | 119.8° |
| H1 | C1 | C2 | H2 | 42.4° | 2.8° |
| H1 | C1 | O1 | HO1 | 101.5° | 59.1° |
| O4 | C4 | C3 | C2 | 8.9° | 37.0° |
| O4 | C4 | C3 | C5 | 120.0° | 118.5° |
| O4 | C4 | C3 | H4 | 121.2° | 118.5° |
| O4 | C4 | C3 | O3 | 108.4° | 155.2° |
| O4 | C4 | C3 | H3 | 130.8° | 81.2° |
| O4 | C4 | C5 | H4 | 121.2° | 122.9° |
| O4 | C4 | C5 | O5 | 66.7° | 66.4° |
| O4 | C4 | C5 | H51 | 173.4° | 173.6° |
| O4 | C4 | C5 | H52 | 55.2° | 53.6° |
| C3 | C2 | O2 | H2 | 126.1° | 122.7° |
| C3 | C2 | O2 | HO2 | 48.1° | 176.3° |
| C2 | C3 | C4 | O3 | 117.3° | 118.2° |
| C2 | C3 | C4 | H3 | 121.8° | 118.2° |
| C2 | C3 | O3 | H3 | 122.5° | 123.6° |
| C2 | C3 | O3 | HO3 | 126.8° | 61.4° |
| C2 | C3 | C4 | C5 | 111.0° | 155.5° |
| C2 | C3 | C4 | H4 | 130.1° | 81.5° |
| O2 | C2 | C3 | C4 | 144.4° | 97.7° |
| O2 | C2 | C3 | O3 | 30.5° | 20.4° |
| O2 | C2 | C3 | H3 | 90.9° | 144.0° |
| H2 | C2 | O2 | HO2 | 174.1° | 61.1° |
| H2 | C2 | C3 | C4 | 94.4° | 139.6° |
| H2 | C2 | C3 | O3 | 151.8° | 102.2° |
| H2 | C2 | C3 | H3 | 30.4° | 21.4° |
| C4 | C3 | O3 | H3 | 125.0° | 123.7° |
| C4 | C3 | O3 | HO3 | 14.3° | 174.2° |
| C3 | C4 | C5 | H4 | 119.7° | 123.1° |
| C3 | C4 | C5 | O5 | 174.3° | 179.5° |
| C3 | C4 | C5 | H51 | 54.3° | 59.6° |
| C3 | C4 | C5 | H52 | 63.8° | 60.5° |
| O3 | C3 | C4 | C5 | 131.7° | 86.3° |
| O3 | C3 | C4 | H4 | 12.9° | 36.7° |
| H3 | C3 | O3 | HO3 | 110.6° | 62.1° |
| H3 | C3 | C4 | C5 | 10.8° | 37.3° |
| H3 | C3 | C4 | H4 | 108.0° | 160.3° |
| C4 | C5 | O5 | H51 | 120.0° | 120.0° |
| C4 | C5 | O5 | H52 | 121.9° | 120.0° |
| C4 | C5 | H51 | H52 | 122.1° | 120.1° |
| C4 | C5 | O5 | P' | 130.0° | 180.0° |
| H4 | C4 | C5 | O5 | 54.6° | 56.5° |
| H4 | C4 | C5 | H51 | 65.4° | 63.5° |
| H4 | C4 | C5 | H52 | 176.5° | 176.5° |
| O5 | C5 | H51 | H52 | 122.1° | 120.0° |
| C5 | O5 | P' | O1X | 133.1° | 55.0° |
| C5 | O5 | P' | O3X | 105.8° | 175.0° |
| C5 | O5 | P' | O2X | 16.3° | 65.1° |
| H51 | C5 | O5 | P' | 10.0° | 60.0° |
| H52 | C5 | O5 | P' | 108.0° | 60.0° |
| O5 | P' | O1X | O3X | 120.2° | 120.0° |
| O5 | P' | O1X | O2X | 116.2° | 120.0° |
| O5 | P' | O3X | O2X | 120.9° | 119.9° |
| O5 | P' | O2X | HO2X | 164.2° | 59.9° |
| O5 | P' | O3X | HO3X | 134.5° | 180.0° |
| O1X | P' | O3X | O2X | 122.9° | 120.1° |
| O1X | P' | O2X | HO2X | 50.8° | 180.0° |
| O1X | P' | O3X | HO3X | 18.3° | 60.0° |
| O3X | P' | O2X | HO2X | 73.6° | 60.0° |
| O2X | P' | O3X | HO3X | 104.6° | 60.1° |
