PAL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.46Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | O3P | sing | 1.61Å | 1.54Å | |
| P | C1P | sing | 1.82Å | 1.84Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| C1P | C1 | sing | 1.51Å | 1.50Å | |
| C1P | H1P1 | sing | 1.09Å | 1.11Å | |
| C1P | H1P2 | sing | 1.09Å | 1.11Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | N2 | sing | 1.35Å | 1.29Å | |
| N2 | C2 | sing | 1.46Å | 1.41Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C2 | C4 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C4 | O2 | doub | 1.21Å | 1.28Å | |
| C4 | O3 | sing | 1.34Å | 1.25Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C5 | O4 | doub | 1.21Å | 1.29Å | |
| C5 | O5 | sing | 1.34Å | 1.27Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 112.2° | 109.5° |
| O1P | P | O3P | 111.7° | 109.5° |
| O1P | P | C1P | 113.0° | 109.4° |
| O2P | P | O3P | 110.0° | 109.5° |
| O2P | P | C1P | 106.2° | 109.5° |
| P | O2P | HOP2 | 112.2° | 106.8° |
| O3P | P | C1P | 103.2° | 109.5° |
| P | O3P | HOP3 | 111.7° | 106.8° |
| P | C1P | C1 | 110.5° | 109.5° |
| P | C1P | H1P1 | 111.9° | 109.6° |
| P | C1P | H1P2 | 111.9° | 109.4° |
| C1 | C1P | H1P1 | 111.8° | 109.5° |
| C1 | C1P | H1P2 | 111.8° | 109.5° |
| C1P | C1 | O1 | 122.1° | 120.0° |
| C1P | C1 | N2 | 118.3° | 120.0° |
| H1P1 | C1P | H1P2 | 98.6° | 109.4° |
| O1 | C1 | N2 | 119.5° | 120.0° |
| C1 | N2 | C2 | 128.5° | 120.1° |
| C1 | N2 | HN2 | 110.6° | 120.0° |
| C2 | N2 | HN2 | 121.0° | 119.9° |
| N2 | C2 | C4 | 117.3° | 109.5° |
| N2 | C2 | C3 | 110.5° | 109.5° |
| N2 | C2 | H2 | 103.1° | 109.4° |
| C4 | C2 | C3 | 109.3° | 109.6° |
| C4 | C2 | H2 | 104.3° | 109.4° |
| C2 | C4 | O2 | 120.7° | 120.1° |
| C2 | C4 | O3 | 121.2° | 120.0° |
| C3 | C2 | H2 | 112.1° | 109.4° |
| C2 | C3 | C5 | 115.9° | 109.5° |
| C2 | C3 | H31 | 109.9° | 109.5° |
| C2 | C3 | H32 | 109.9° | 109.4° |
| O2 | C4 | O3 | 118.2° | 120.0° |
| C4 | O3 | HO3 | 121.2° | 120.0° |
| C5 | C3 | H31 | 109.9° | 109.4° |
| C5 | C3 | H32 | 109.9° | 109.5° |
| C3 | C5 | O4 | 121.4° | 120.0° |
| C3 | C5 | O5 | 118.5° | 120.1° |
| H31 | C3 | H32 | 100.3° | 109.4° |
| O4 | C5 | O5 | 120.2° | 120.0° |
| C5 | O5 | HO5 | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 125.0° | 120.0° |
| O1P | P | O2P | C1P | 124.0° | 119.9° |
| O1P | P | O3P | C1P | 121.7° | 120.0° |
| O1P | P | O2P | HOP2 | 180.0° | 60.0° |
| O1P | P | O3P | HOP3 | 179.9° | 180.0° |
| O1P | P | C1P | C1 | 37.5° | 60.0° |
| O1P | P | C1P | H1P1 | 162.8° | 60.0° |
| O1P | P | C1P | H1P2 | 87.7° | 180.0° |
| O2P | P | O3P | C1P | 113.0° | 120.0° |
| O2P | P | O3P | HOP3 | 54.8° | 60.0° |
| O2P | P | C1P | C1 | 161.0° | 180.0° |
| O2P | P | C1P | H1P1 | 73.7° | 59.9° |
| O2P | P | C1P | H1P2 | 35.8° | 60.0° |
| O3P | P | O2P | HOP2 | 55.1° | 60.0° |
| O3P | P | C1P | C1 | 83.3° | 60.0° |
| O3P | P | C1P | H1P1 | 42.0° | 179.9° |
| O3P | P | C1P | H1P2 | 151.5° | 60.0° |
| C1P | P | O2P | HOP2 | 56.0° | 179.9° |
| C1P | P | O3P | HOP3 | 58.2° | 60.1° |
| P | C1P | C1 | H1P1 | 125.3° | 120.1° |
| P | C1P | C1 | H1P2 | 125.3° | 120.0° |
| P | C1P | H1P1 | H1P2 | 117.8° | 119.9° |
| P | C1P | C1 | O1 | 71.8° | 89.9° |
| P | C1P | C1 | N2 | 103.1° | 90.0° |
| C1 | C1P | H1P1 | H1P2 | 117.7° | 120.0° |
| C1P | C1 | O1 | N2 | 174.9° | 179.9° |
| C1P | C1 | N2 | C2 | 178.6° | 180.0° |
| C1P | C1 | N2 | HN2 | 1.4° | 0.0° |
| H1P1 | C1P | C1 | O1 | 53.5° | 149.9° |
| H1P1 | C1P | C1 | N2 | 131.6° | 30.1° |
| H1P2 | C1P | C1 | O1 | 162.9° | 30.0° |
| H1P2 | C1P | C1 | N2 | 22.1° | 150.0° |
| O1 | C1 | N2 | C2 | 6.3° | 0.0° |
| O1 | C1 | N2 | HN2 | 173.7° | 179.9° |
| C1 | N2 | C2 | HN2 | 180.0° | 180.0° |
| C1 | N2 | C2 | C4 | 66.1° | 89.9° |
| C1 | N2 | C2 | C3 | 167.8° | 149.9° |
| C1 | N2 | C2 | H2 | 47.9° | 30.0° |
| N2 | C2 | C4 | C3 | 126.7° | 120.1° |
| N2 | C2 | C4 | H2 | 113.3° | 119.9° |
| N2 | C2 | C3 | H2 | 114.3° | 119.9° |
| N2 | C2 | C4 | O2 | 6.8° | 150.0° |
| N2 | C2 | C4 | O3 | 173.5° | 30.1° |
| N2 | C2 | C3 | C5 | 71.2° | 60.0° |
| N2 | C2 | C3 | H31 | 163.5° | 180.0° |
| N2 | C2 | C3 | H32 | 54.1° | 60.1° |
| HN2 | N2 | C2 | C4 | 113.9° | 90.1° |
| HN2 | N2 | C2 | C3 | 12.2° | 30.1° |
| HN2 | N2 | C2 | H2 | 132.1° | 150.0° |
| C4 | C2 | C3 | H2 | 115.2° | 120.0° |
| C2 | C4 | O2 | O3 | 179.8° | 179.9° |
| C2 | C4 | O3 | HO3 | 180.0° | 180.0° |
| C4 | C2 | C3 | C5 | 59.3° | 180.0° |
| C4 | C2 | C3 | H31 | 66.0° | 59.9° |
| C4 | C2 | C3 | H32 | 175.4° | 60.0° |
| C3 | C2 | C4 | O2 | 120.0° | 89.9° |
| C3 | C2 | C4 | O3 | 59.8° | 90.0° |
| C2 | C3 | C5 | H31 | 125.3° | 120.1° |
| C2 | C3 | C5 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 115.7° | 120.0° |
| C2 | C3 | C5 | O4 | 170.6° | 0.0° |
| C2 | C3 | C5 | O5 | 9.1° | 180.0° |
| H2 | C2 | C4 | O2 | 120.0° | 30.1° |
| H2 | C2 | C4 | O3 | 60.2° | 150.0° |
| H2 | C2 | C3 | C5 | 174.4° | 60.0° |
| H2 | C2 | C3 | H31 | 49.2° | 60.0° |
| H2 | C2 | C3 | H32 | 60.3° | 180.0° |
| O2 | C4 | O3 | HO3 | 0.2° | 0.1° |
| C5 | C3 | H31 | H32 | 115.7° | 120.0° |
| C3 | C5 | O4 | O5 | 179.7° | 180.0° |
| C3 | C5 | O5 | HO5 | 180.0° | 180.0° |
| H31 | C3 | C5 | O4 | 64.1° | 120.1° |
| H31 | C3 | C5 | O5 | 116.2° | 60.0° |
| H32 | C3 | C5 | O4 | 45.3° | 120.0° |
| H32 | C3 | C5 | O5 | 134.4° | 59.9° |
| O4 | C5 | O5 | HO5 | 0.3° | 0.1° |
