PAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.61Å | 1.53Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| P | O3P | doub | 1.48Å | 1.46Å | |
| P | C1P | sing | 1.82Å | 1.84Å | |
| O1P | HOP1 | sing | 0.97Å | 0.95Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| C1P | C1 | sing | 1.51Å | 1.56Å | |
| C1P | H11 | sing | 1.09Å | 1.10Å | |
| C1P | H12 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| C1 | O2 | doub | 1.21Å | 1.22Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 105.7° | 109.5° |
| O1P | P | O3P | 110.8° | 109.5° |
| O1P | P | C1P | 108.1° | 109.5° |
| P | O1P | HOP1 | 109.5° | 106.8° |
| O2P | P | O3P | 112.1° | 109.4° |
| O2P | P | C1P | 107.2° | 109.5° |
| P | O2P | HOP2 | 109.5° | 106.7° |
| O3P | P | C1P | 112.6° | 109.5° |
| P | C1P | C1 | 103.1° | 109.5° |
| P | C1P | H11 | 113.0° | 109.4° |
| P | C1P | H12 | 111.7° | 109.5° |
| C1 | C1P | H11 | 113.0° | 109.4° |
| C1 | C1P | H12 | 111.6° | 109.5° |
| C1P | C1 | O1 | 111.9° | 120.1° |
| C1P | C1 | O2 | 118.6° | 120.0° |
| H11 | C1P | H12 | 104.7° | 109.5° |
| O1 | C1 | O2 | 126.8° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 120.8° | 120.0° |
| O1P | P | O2P | C1P | 115.1° | 120.0° |
| O1P | P | O3P | C1P | 121.2° | 120.1° |
| O1P | P | O2P | HOP2 | 65.4° | 60.0° |
| O1P | P | C1P | C1 | 86.4° | 180.0° |
| O1P | P | C1P | H11 | 35.9° | 60.0° |
| O1P | P | C1P | H12 | 153.6° | 60.0° |
| O2P | P | O3P | C1P | 121.0° | 120.0° |
| O2P | P | O1P | HOP1 | 52.8° | 60.0° |
| O2P | P | C1P | C1 | 27.0° | 60.0° |
| O2P | P | C1P | H11 | 149.4° | 180.0° |
| O2P | P | C1P | H12 | 92.9° | 60.0° |
| O3P | P | O1P | HOP1 | 174.4° | 60.0° |
| O3P | P | O2P | HOP2 | 173.8° | 180.0° |
| O3P | P | C1P | C1 | 150.8° | 59.9° |
| O3P | P | C1P | H11 | 86.9° | 60.0° |
| O3P | P | C1P | H12 | 30.8° | 180.0° |
| C1P | P | O1P | HOP1 | 61.7° | 180.0° |
| C1P | P | O2P | HOP2 | 49.7° | 60.0° |
| P | C1P | C1 | H11 | 122.3° | 120.0° |
| P | C1P | C1 | H12 | 120.0° | 120.1° |
| P | C1P | H11 | H12 | 121.7° | 120.0° |
| P | C1P | C1 | O1 | 15.7° | 90.0° |
| P | C1P | C1 | O2 | 146.8° | 90.1° |
| C1 | C1P | H11 | H12 | 121.7° | 120.0° |
| C1P | C1 | O1 | O2 | 160.8° | 179.9° |
| C1P | C1 | O1 | HO1 | 160.8° | 180.0° |
| H11 | C1P | C1 | O1 | 106.6° | 29.9° |
| H11 | C1P | C1 | O2 | 90.9° | 150.0° |
| H12 | C1P | C1 | O1 | 135.7° | 149.9° |
| H12 | C1P | C1 | O2 | 26.8° | 30.0° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.1° |
