P2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | doub | 1.48Å | 1.53Å | |
| O2 | P1 | sing | 1.61Å | 1.53Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| P1 | O3 | sing | 1.61Å | 1.53Å | |
| P1 | O4 | sing | 1.61Å | 1.54Å | |
| O3 | H1 | sing | 0.97Å | 1.11Å | |
| O4 | C1 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.11Å | |
| C1 | H3 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O7 | sing | 1.45Å | 1.47Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | O5 | sing | 1.45Å | 1.45Å | |
| C3 | H5 | sing | 1.09Å | 1.11Å | |
| C3 | H6 | sing | 1.09Å | 1.11Å | |
| O5 | C4 | sing | 1.34Å | 1.46Å | |
| C4 | O6 | doub | 1.21Å | 1.25Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | H7 | sing | 1.09Å | 1.11Å | |
| C5 | H8 | sing | 1.09Å | 1.11Å | |
| C5 | H9 | sing | 1.09Å | 1.11Å | |
| O7 | C6 | sing | 1.34Å | 1.48Å | |
| C6 | O8 | doub | 1.21Å | 1.25Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | H10 | sing | 1.09Å | 1.11Å | |
| C7 | H11 | sing | 1.09Å | 1.11Å | |
| C7 | H12 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 109.1° | 109.5° |
| O1 | P1 | O3 | 109.3° | 109.4° |
| O1 | P1 | O4 | 110.0° | 109.5° |
| P1 | O2 | HO2 | 109.1° | 106.8° |
| O2 | P1 | O3 | 109.2° | 109.5° |
| O2 | P1 | O4 | 109.6° | 109.5° |
| O3 | P1 | O4 | 109.6° | 109.5° |
| P1 | O3 | H1 | 109.9° | 106.8° |
| P1 | O4 | C1 | 110.9° | 106.7° |
| O4 | C1 | C2 | 109.5° | 109.4° |
| O4 | C1 | H2 | 109.4° | 109.5° |
| O4 | C1 | H3 | 109.4° | 109.5° |
| C2 | C1 | H2 | 111.7° | 109.4° |
| C2 | C1 | H3 | 111.7° | 109.5° |
| C1 | C2 | C3 | 111.8° | 109.4° |
| C1 | C2 | O7 | 109.8° | 109.5° |
| C1 | C2 | H4 | 110.6° | 109.4° |
| H2 | C1 | H3 | 105.0° | 109.5° |
| C3 | C2 | O7 | 114.1° | 109.5° |
| C3 | C2 | H4 | 105.7° | 109.5° |
| C2 | C3 | O5 | 108.2° | 109.5° |
| C2 | C3 | H5 | 112.1° | 109.5° |
| C2 | C3 | H6 | 112.0° | 109.5° |
| O7 | C2 | H4 | 104.5° | 109.5° |
| C2 | O7 | C6 | 119.2° | 120.0° |
| O5 | C3 | H5 | 109.7° | 109.4° |
| O5 | C3 | H6 | 109.7° | 109.5° |
| C3 | O5 | C4 | 113.1° | 120.0° |
| H5 | C3 | H6 | 105.1° | 109.4° |
| O5 | C4 | O6 | 121.7° | 120.0° |
| O5 | C4 | C5 | 115.4° | 120.1° |
| O6 | C4 | C5 | 123.0° | 120.0° |
| C4 | C5 | H7 | 110.0° | 109.5° |
| C4 | C5 | H8 | 110.0° | 109.5° |
| C4 | C5 | H9 | 110.0° | 109.4° |
| H7 | C5 | H8 | 108.9° | 109.5° |
| H7 | C5 | H9 | 108.9° | 109.5° |
| H8 | C5 | H9 | 108.9° | 109.4° |
| O7 | C6 | O8 | 121.5° | 120.0° |
| O7 | C6 | C7 | 117.8° | 120.0° |
| O8 | C6 | C7 | 120.7° | 120.0° |
| C6 | C7 | H10 | 110.0° | 109.5° |
| C6 | C7 | H11 | 110.0° | 109.4° |
| C6 | C7 | H12 | 110.0° | 109.5° |
| H10 | C7 | H11 | 109.0° | 109.4° |
| H10 | C7 | H12 | 108.9° | 109.5° |
| H11 | C7 | H12 | 109.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 119.4° | 120.0° |
| O1 | P1 | O2 | O4 | 120.5° | 120.1° |
| O1 | P1 | O2 | HO2 | 180.0° | 180.0° |
| O1 | P1 | O3 | O4 | 120.6° | 120.0° |
| O1 | P1 | O3 | H1 | 115.4° | 60.0° |
| O1 | P1 | O4 | C1 | 59.7° | 55.0° |
| O2 | P1 | O3 | O4 | 120.1° | 120.0° |
| O2 | P1 | O3 | H1 | 3.9° | 60.0° |
| O2 | P1 | O4 | C1 | 179.7° | 65.0° |
| HO2 | O2 | P1 | O3 | 60.7° | 60.0° |
| HO2 | O2 | P1 | O4 | 59.5° | 60.0° |
| O3 | P1 | O4 | C1 | 60.4° | 175.0° |
| O4 | P1 | O3 | H1 | 124.0° | 180.0° |
| P1 | O4 | C1 | C2 | 175.7° | 180.0° |
| P1 | O4 | C1 | H2 | 53.0° | 60.0° |
| P1 | O4 | C1 | H3 | 61.6° | 60.0° |
| O4 | C1 | C2 | H2 | 121.4° | 120.0° |
| O4 | C1 | C2 | H3 | 121.3° | 120.0° |
| O4 | C1 | H2 | H3 | 117.3° | 120.1° |
| O4 | C1 | C2 | C3 | 177.6° | 175.0° |
| O4 | C1 | C2 | O7 | 54.8° | 65.0° |
| O4 | C1 | C2 | H4 | 60.1° | 55.0° |
| C2 | C1 | H2 | H3 | 121.2° | 120.0° |
| C1 | C2 | C3 | O7 | 125.3° | 120.0° |
| C1 | C2 | C3 | H4 | 120.4° | 119.9° |
| C1 | C2 | O7 | H4 | 118.6° | 120.0° |
| C1 | C2 | C3 | O5 | 155.0° | 175.0° |
| C1 | C2 | C3 | H5 | 83.8° | 65.0° |
| C1 | C2 | C3 | H6 | 34.0° | 55.0° |
| C1 | C2 | O7 | C6 | 100.9° | 150.0° |
| H2 | C1 | C2 | C3 | 56.2° | 65.0° |
| H2 | C1 | C2 | O7 | 176.2° | 55.0° |
| H2 | C1 | C2 | H4 | 61.3° | 175.0° |
| H3 | C1 | C2 | C3 | 61.1° | 55.0° |
| H3 | C1 | C2 | O7 | 66.6° | 175.0° |
| H3 | C1 | C2 | H4 | 178.6° | 65.0° |
| C3 | C2 | O7 | H4 | 115.0° | 120.0° |
| C2 | C3 | O5 | H5 | 122.6° | 120.0° |
| C2 | C3 | O5 | H6 | 122.5° | 120.1° |
| C2 | C3 | H5 | H6 | 121.9° | 120.0° |
| C2 | C3 | O5 | C4 | 170.7° | 180.0° |
| C3 | C2 | O7 | C6 | 132.7° | 90.0° |
| O7 | C2 | C3 | O5 | 79.7° | 65.0° |
| O7 | C2 | C3 | H5 | 41.5° | 55.0° |
| O7 | C2 | C3 | H6 | 159.3° | 174.9° |
| C2 | O7 | C6 | O8 | 179.3° | 0.0° |
| C2 | O7 | C6 | C7 | 2.2° | 180.0° |
| H4 | C2 | C3 | O5 | 34.6° | 55.1° |
| H4 | C2 | C3 | H5 | 155.8° | 175.0° |
| H4 | C2 | C3 | H6 | 86.4° | 65.0° |
| H4 | C2 | O7 | C6 | 17.7° | 30.0° |
| O5 | C3 | H5 | H6 | 117.8° | 120.0° |
| C3 | O5 | C4 | O6 | 111.3° | 0.1° |
| C3 | O5 | C4 | C5 | 68.9° | 180.0° |
| H5 | C3 | O5 | C4 | 48.1° | 60.0° |
| H6 | C3 | O5 | C4 | 66.8° | 59.9° |
| O5 | C4 | O6 | C5 | 179.8° | 179.9° |
| O5 | C4 | C5 | H7 | 139.3° | 180.0° |
| O5 | C4 | C5 | H8 | 100.7° | 59.9° |
| O5 | C4 | C5 | H9 | 19.3° | 60.0° |
| O6 | C4 | C5 | H7 | 40.5° | 0.1° |
| O6 | C4 | C5 | H8 | 79.5° | 120.0° |
| O6 | C4 | C5 | H9 | 160.5° | 120.1° |
| C4 | C5 | H7 | H8 | 120.7° | 120.1° |
| C4 | C5 | H7 | H9 | 120.6° | 120.0° |
| C4 | C5 | H8 | H9 | 120.6° | 119.9° |
| H7 | C5 | H8 | H9 | 118.7° | 120.0° |
| O7 | C6 | O8 | C7 | 178.4° | 180.0° |
| O7 | C6 | C7 | H10 | 52.5° | 0.0° |
| O7 | C6 | C7 | H11 | 172.5° | 119.9° |
| O7 | C6 | C7 | H12 | 67.4° | 120.0° |
| O8 | C6 | C7 | H10 | 126.0° | 180.0° |
| O8 | C6 | C7 | H11 | 6.0° | 60.1° |
| O8 | C6 | C7 | H12 | 114.1° | 60.0° |
| C6 | C7 | H10 | H11 | 120.6° | 119.9° |
| C6 | C7 | H10 | H12 | 120.6° | 120.0° |
| C6 | C7 | H11 | H12 | 120.7° | 120.0° |
| H10 | C7 | H11 | H12 | 118.7° | 120.0° |
