DXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.47Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.12Å | |
| C1 | HC13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | HC3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | HC4 | sing | 1.09Å | 1.12Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | P | sing | 1.61Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| P | O3P | doub | 1.48Å | 1.35Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O1P | HOP1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | HC11 | 119.9° | 109.5° |
| C2 | C1 | HC12 | 108.5° | 109.5° |
| C2 | C1 | HC13 | 108.4° | 109.5° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | O2 | 118.5° | 120.0° |
| HC11 | C1 | HC12 | 108.5° | 109.5° |
| HC11 | C1 | HC13 | 108.5° | 109.5° |
| HC12 | C1 | HC13 | 101.5° | 109.4° |
| C3 | C2 | O2 | 121.5° | 120.0° |
| C2 | C3 | C4 | 117.1° | 109.5° |
| C2 | C3 | O3 | 107.7° | 109.5° |
| C2 | C3 | HC3 | 105.0° | 109.5° |
| C4 | C3 | O3 | 107.9° | 109.5° |
| C4 | C3 | HC3 | 104.7° | 109.4° |
| C3 | C4 | C5 | 108.1° | 109.5° |
| C3 | C4 | O4 | 108.9° | 109.4° |
| C3 | C4 | HC4 | 110.2° | 109.5° |
| O3 | C3 | HC3 | 114.7° | 109.4° |
| C3 | O3 | HO3 | 107.6° | 106.7° |
| C5 | C4 | O4 | 107.8° | 109.5° |
| C5 | C4 | HC4 | 111.2° | 109.5° |
| C4 | C5 | O5 | 112.6° | 109.5° |
| C4 | C5 | H51 | 111.1° | 109.5° |
| C4 | C5 | H52 | 111.1° | 109.5° |
| O4 | C4 | HC4 | 110.5° | 109.4° |
| C4 | O4 | HO4 | 108.8° | 106.8° |
| O5 | C5 | H51 | 111.1° | 109.4° |
| O5 | C5 | H52 | 111.1° | 109.5° |
| C5 | O5 | P | 112.0° | 106.9° |
| H51 | C5 | H52 | 99.2° | 109.5° |
| O5 | P | O2P | 112.7° | 109.5° |
| O5 | P | O1P | 110.3° | 109.5° |
| O5 | P | O3P | 110.2° | 109.5° |
| O2P | P | O1P | 109.0° | 109.5° |
| O2P | P | O3P | 105.1° | 109.4° |
| P | O2P | HOP2 | 112.7° | 106.8° |
| O1P | P | O3P | 109.3° | 109.5° |
| P | O1P | HOP1 | 110.3° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | HC11 | HC12 | 125.3° | 120.0° |
| C2 | C1 | HC11 | HC13 | 125.3° | 120.0° |
| C2 | C1 | HC12 | HC13 | 114.1° | 120.0° |
| C1 | C2 | C3 | O2 | 179.1° | 180.0° |
| C1 | C2 | C3 | C4 | 87.6° | 90.0° |
| C1 | C2 | C3 | O3 | 150.6° | 149.9° |
| C1 | C2 | C3 | HC3 | 28.0° | 30.0° |
| HC11 | C1 | HC12 | HC13 | 114.1° | 120.0° |
| HC11 | C1 | C2 | C3 | 180.0° | 180.0° |
| HC11 | C1 | C2 | O2 | 0.8° | 0.0° |
| HC12 | C1 | C2 | C3 | 54.7° | 60.0° |
| HC12 | C1 | C2 | O2 | 124.4° | 120.0° |
| HC13 | C1 | C2 | C3 | 54.7° | 60.0° |
| HC13 | C1 | C2 | O2 | 126.2° | 120.1° |
| C2 | C3 | C4 | O3 | 121.6° | 120.1° |
| C2 | C3 | C4 | HC3 | 115.8° | 120.0° |
| C2 | C3 | O3 | HC3 | 116.5° | 120.0° |
| C2 | C3 | C4 | C5 | 166.3° | 180.0° |
| C2 | C3 | C4 | O4 | 76.8° | 60.0° |
| C2 | C3 | C4 | HC4 | 44.6° | 60.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O2 | C2 | C3 | C4 | 93.3° | 90.1° |
| O2 | C2 | C3 | O3 | 28.5° | 30.0° |
| O2 | C2 | C3 | HC3 | 151.1° | 150.0° |
| C4 | C3 | O3 | HC3 | 116.3° | 119.9° |
| C3 | C4 | C5 | O4 | 117.6° | 120.0° |
| C3 | C4 | C5 | HC4 | 121.1° | 120.1° |
| C3 | C4 | O4 | HC4 | 121.2° | 120.0° |
| C3 | C4 | C5 | O5 | 177.4° | 180.0° |
| C3 | C4 | C5 | H51 | 57.3° | 60.1° |
| C3 | C4 | C5 | H52 | 52.2° | 59.9° |
| C4 | C3 | O3 | HO3 | 52.7° | 60.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O3 | C3 | C4 | C5 | 72.1° | 59.9° |
| O3 | C3 | C4 | O4 | 44.8° | 60.1° |
| O3 | C3 | C4 | HC4 | 166.2° | 179.9° |
| HC3 | C3 | C4 | C5 | 50.5° | 60.0° |
| HC3 | C3 | C4 | O4 | 167.4° | 180.0° |
| HC3 | C3 | C4 | HC4 | 71.2° | 60.0° |
| HC3 | C3 | O3 | HO3 | 63.5° | 180.0° |
| C5 | C4 | O4 | HC4 | 121.7° | 120.0° |
| C4 | C5 | O5 | H51 | 125.3° | 120.0° |
| C4 | C5 | O5 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 116.9° | 120.1° |
| C5 | C4 | O4 | HO4 | 62.9° | 60.0° |
| C4 | C5 | O5 | P | 177.7° | 180.0° |
| O4 | C4 | C5 | O5 | 59.9° | 60.0° |
| O4 | C4 | C5 | H51 | 174.8° | 180.0° |
| O4 | C4 | C5 | H52 | 65.4° | 60.0° |
| HC4 | C4 | C5 | O5 | 61.5° | 60.0° |
| HC4 | C4 | C5 | H51 | 63.8° | 60.0° |
| HC4 | C4 | C5 | H52 | 173.3° | 180.0° |
| HC4 | C4 | O4 | HO4 | 58.8° | 179.9° |
| O5 | C5 | H51 | H52 | 116.9° | 119.9° |
| C5 | O5 | P | O2P | 55.3° | 180.0° |
| C5 | O5 | P | O1P | 177.3° | 60.0° |
| C5 | O5 | P | O3P | 61.8° | 60.0° |
| H51 | C5 | O5 | P | 57.0° | 60.0° |
| H52 | C5 | O5 | P | 52.5° | 60.0° |
| O5 | P | O2P | O1P | 122.8° | 120.0° |
| O5 | P | O2P | O3P | 120.1° | 120.0° |
| O5 | P | O1P | O3P | 121.4° | 120.0° |
| O5 | P | O2P | HOP2 | 180.0° | 180.0° |
| O5 | P | O1P | HOP1 | 180.0° | 60.0° |
| O2P | P | O1P | O3P | 114.4° | 119.9° |
| O2P | P | O1P | HOP1 | 55.8° | 60.0° |
| O1P | P | O2P | HOP2 | 57.2° | 60.0° |
| O3P | P | O2P | HOP2 | 59.9° | 60.0° |
| O3P | P | O1P | HOP1 | 58.6° | 180.0° |
