DX5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| 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 | P | sing | 1.61Å | 1.48Å | |
| P | O1P | sing | 1.61Å | 1.57Å | |
| P | O2P | sing | 1.61Å | 1.58Å | |
| P | O3P | doub | 1.48Å | 1.62Å | |
| 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 | 112.9° | 109.4° |
| C2 | C1 | H11 | 107.6° | 109.5° |
| C2 | C1 | H12 | 108.3° | 109.5° |
| C1 | C2 | C3 | 113.8° | 109.5° |
| C1 | C2 | O2 | 106.9° | 109.5° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| O1 | C1 | H11 | 107.5° | 109.5° |
| O1 | C1 | H12 | 108.3° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 106.8° |
| H11 | C1 | H12 | 112.2° | 109.5° |
| C3 | C2 | O2 | 111.3° | 109.5° |
| C3 | C2 | H2 | 104.4° | 109.4° |
| C2 | C3 | C4 | 113.6° | 109.5° |
| C2 | C3 | O3 | 111.6° | 109.5° |
| C2 | C3 | H3 | 104.9° | 109.5° |
| O2 | C2 | H2 | 111.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 106.8° |
| C4 | C3 | O3 | 109.3° | 109.5° |
| C4 | C3 | H3 | 107.5° | 109.5° |
| C3 | C4 | C5 | 113.8° | 109.5° |
| C3 | C4 | O4 | 112.0° | 109.5° |
| C3 | C4 | H4 | 103.7° | 109.4° |
| O3 | C3 | H3 | 109.8° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C5 | C4 | O4 | 106.3° | 109.5° |
| C5 | C4 | H4 | 109.7° | 109.5° |
| C4 | C5 | O5 | 120.8° | 109.5° |
| C4 | C5 | H51 | 103.2° | 109.5° |
| C4 | C5 | H52 | 105.8° | 109.5° |
| O4 | C4 | H4 | 111.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| O5 | C5 | H51 | 103.2° | 109.5° |
| O5 | C5 | H52 | 105.9° | 109.5° |
| C5 | O5 | P | 130.2° | 106.8° |
| H51 | C5 | H52 | 118.9° | 109.4° |
| O5 | P | O1P | 106.8° | 109.4° |
| O5 | P | O2P | 103.2° | 109.5° |
| O5 | P | O3P | 102.3° | 109.5° |
| O1P | P | O2P | 114.7° | 109.4° |
| O1P | P | O3P | 113.6° | 109.5° |
| P | O1P | H1P | 109.5° | 106.9° |
| O2P | P | O3P | 114.5° | 109.5° |
| P | O2P | H2P | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H11 | 118.5° | 119.9° |
| C2 | C1 | O1 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 119.0° | 120.0° |
| C1 | C2 | C3 | O2 | 120.8° | 120.0° |
| C1 | C2 | C3 | H2 | 118.7° | 120.0° |
| C1 | C2 | O2 | H2 | 119.1° | 120.1° |
| C1 | C2 | C3 | C4 | 72.4° | 175.0° |
| C1 | C2 | C3 | O3 | 163.6° | 55.0° |
| C1 | C2 | C3 | H3 | 44.8° | 65.0° |
| C2 | C1 | O1 | HO1 | 91.6° | 180.0° |
| C1 | C2 | O2 | HO2 | 174.1° | 60.0° |
| O1 | C1 | H11 | H12 | 119.1° | 120.1° |
| O1 | C1 | C2 | C3 | 179.9° | 175.0° |
| O1 | C1 | C2 | O2 | 56.7° | 65.0° |
| O1 | C1 | C2 | H2 | 64.0° | 55.0° |
| H11 | C1 | C2 | C3 | 61.4° | 55.0° |
| H11 | C1 | C2 | O2 | 61.8° | 175.0° |
| H11 | C1 | C2 | H2 | 177.5° | 65.0° |
| H11 | C1 | O1 | HO1 | 26.9° | 60.1° |
| H12 | C1 | C2 | C3 | 60.1° | 65.0° |
| H12 | C1 | C2 | O2 | 176.7° | 55.0° |
| H12 | C1 | C2 | H2 | 55.9° | 175.0° |
| H12 | C1 | O1 | HO1 | 148.4° | 60.0° |
| C3 | C2 | O2 | H2 | 116.2° | 120.0° |
| C2 | C3 | C4 | O3 | 125.3° | 120.0° |
| C2 | C3 | C4 | H3 | 115.7° | 120.0° |
| C2 | C3 | O3 | H3 | 115.9° | 120.0° |
| C2 | C3 | C4 | C5 | 153.1° | 175.0° |
| C2 | C3 | C4 | O4 | 86.4° | 55.0° |
| C2 | C3 | C4 | H4 | 34.0° | 65.0° |
| C3 | C2 | O2 | HO2 | 61.1° | 60.0° |
| C2 | C3 | O3 | HO3 | 131.6° | 60.0° |
| O2 | C2 | C3 | C4 | 166.8° | 55.0° |
| O2 | C2 | C3 | O3 | 42.8° | 65.0° |
| O2 | C2 | C3 | H3 | 76.0° | 175.0° |
| H2 | C2 | C3 | C4 | 46.4° | 65.0° |
| H2 | C2 | C3 | O3 | 77.7° | 175.0° |
| H2 | C2 | C3 | H3 | 163.5° | 55.0° |
| H2 | C2 | O2 | HO2 | 55.0° | 179.9° |
| C4 | C3 | O3 | H3 | 117.6° | 120.0° |
| C3 | C4 | C5 | O4 | 123.7° | 120.0° |
| C3 | C4 | C5 | H4 | 115.6° | 120.0° |
| C3 | C4 | O4 | H4 | 115.7° | 120.0° |
| C3 | C4 | C5 | O5 | 155.5° | 175.0° |
| C3 | C4 | C5 | H51 | 90.1° | 55.0° |
| C3 | C4 | C5 | H52 | 35.5° | 65.0° |
| C4 | C3 | O3 | HO3 | 5.1° | 60.0° |
| C3 | C4 | O4 | HO4 | 179.8° | 60.0° |
| O3 | C3 | C4 | C5 | 81.6° | 55.0° |
| O3 | C3 | C4 | O4 | 38.9° | 65.0° |
| O3 | C3 | C4 | H4 | 159.3° | 175.0° |
| H3 | C3 | C4 | C5 | 37.4° | 65.0° |
| H3 | C3 | C4 | O4 | 157.9° | 175.0° |
| H3 | C3 | C4 | H4 | 81.7° | 55.0° |
| H3 | C3 | O3 | HO3 | 112.5° | 180.0° |
| C5 | C4 | O4 | H4 | 119.5° | 120.0° |
| C4 | C5 | O5 | H51 | 114.4° | 120.1° |
| C4 | C5 | O5 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 116.7° | 120.0° |
| C5 | C4 | O4 | HO4 | 55.4° | 60.0° |
| C4 | C5 | O5 | P | 163.4° | 180.0° |
| O4 | C4 | C5 | O5 | 80.7° | 65.0° |
| O4 | C4 | C5 | H51 | 33.7° | 175.0° |
| O4 | C4 | C5 | H52 | 159.2° | 55.0° |
| H4 | C4 | C5 | O5 | 39.9° | 55.0° |
| H4 | C4 | C5 | H51 | 154.3° | 65.0° |
| H4 | C4 | C5 | H52 | 80.1° | 175.1° |
| H4 | C4 | O4 | HO4 | 64.1° | 179.9° |
| O5 | C5 | H51 | H52 | 116.7° | 120.0° |
| C5 | O5 | P | O1P | 46.0° | 65.0° |
| C5 | O5 | P | O2P | 75.3° | 175.0° |
| C5 | O5 | P | O3P | 165.6° | 54.9° |
| H51 | C5 | O5 | P | 82.2° | 59.9° |
| H52 | C5 | O5 | P | 43.4° | 60.0° |
| O5 | P | O1P | O2P | 113.6° | 120.0° |
| O5 | P | O1P | O3P | 112.0° | 120.0° |
| O5 | P | O2P | O3P | 110.4° | 120.1° |
| O5 | P | O1P | H1P | 115.9° | 60.0° |
| O5 | P | O2P | H2P | 46.2° | 180.0° |
| O1P | P | O2P | O3P | 133.9° | 120.0° |
| O1P | P | O2P | H2P | 69.5° | 60.0° |
| O2P | P | O1P | H1P | 130.4° | 60.0° |
| O3P | P | O1P | H1P | 3.9° | 180.0° |
| O3P | P | O2P | H2P | 156.6° | 59.9° |
