P0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.36Å | 1.35Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C4A | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4A | O4A | sing | 1.43Å | 1.40Å | |
| C4A | O4B | sing | 1.43Å | 1.39Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| O4A | H1 | sing | 0.97Å | 0.95Å | |
| O4B | H4B | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.35Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5A | O4P | sing | 1.43Å | 1.34Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| O4P | P | sing | 1.61Å | 1.60Å | |
| P | O1P | doub | 1.61Å | 1.47Å | |
| P | O2P | sing | 1.61Å | 1.60Å | |
| P | O3P | sing | 1.48Å | 1.61Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 3.64Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| O3 | C3 | C2 | 120.8° | 120.4° |
| O3 | C3 | C4 | 119.3° | 120.5° |
| C2 | N1 | C6 | 121.8° | 121.8° |
| N1 | C2 | C2A | 121.7° | 119.7° |
| N1 | C2 | C3 | 119.7° | 120.6° |
| N1 | C6 | C5 | 122.5° | 120.9° |
| N1 | C6 | H6 | 118.7° | 119.6° |
| C2A | C2 | C3 | 118.6° | 119.7° |
| C2 | C2A | H2A1 | 109.4° | 109.5° |
| C2 | C2A | H2A2 | 109.5° | 109.5° |
| C2 | C2A | H2A3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 119.9° | 119.1° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A3 | 109.5° | 109.5° |
| H2A2 | C2A | H2A3 | 109.5° | 109.5° |
| C3 | C4 | C4A | 118.8° | 120.8° |
| C3 | C4 | C5 | 120.5° | 118.4° |
| C4A | C4 | C5 | 120.6° | 120.8° |
| C4 | C4A | O4A | 109.8° | 109.5° |
| C4 | C4A | O4B | 111.4° | 109.5° |
| C4 | C4A | H4A | 107.5° | 109.5° |
| C4 | C5 | C6 | 115.4° | 119.2° |
| C4 | C5 | C5A | 114.5° | 120.4° |
| O4A | C4A | O4B | 108.2° | 109.5° |
| O4A | C4A | H4A | 110.8° | 109.5° |
| C4A | O4A | H1 | 109.5° | 106.7° |
| O4B | C4A | H4A | 109.1° | 109.4° |
| C4A | O4B | H4B | 109.5° | 106.8° |
| C6 | C5 | C5A | 129.1° | 120.4° |
| C5 | C6 | H6 | 118.7° | 119.5° |
| C5 | C5A | O4P | 129.7° | 109.5° |
| C5 | C5A | H5A1 | 98.5° | 109.4° |
| C5 | C5A | H5A2 | 103.2° | 109.5° |
| O4P | C5A | H5A1 | 98.4° | 109.5° |
| O4P | C5A | H5A2 | 103.2° | 109.5° |
| C5A | O4P | P | 113.5° | 106.8° |
| H5A1 | C5A | H5A2 | 127.2° | 109.5° |
| O4P | P | O1P | 109.3° | 109.5° |
| O4P | P | O2P | 105.9° | 109.4° |
| O4P | P | O3P | 112.9° | 109.5° |
| O1P | P | O2P | 107.4° | 109.5° |
| O1P | P | O3P | 109.4° | 109.5° |
| O2P | P | O3P | 111.7° | 109.5° |
| P | O2P | H2P | 109.5° | 106.9° |
| P | O3P | H3P | 109.5° | 64.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | N1 | 179.8° | 179.9° |
| O3 | C3 | C2 | C2A | 0.1° | 0.2° |
| O3 | C3 | C2 | C4 | 179.2° | 179.5° |
| O3 | C3 | C4 | C4A | 0.7° | 0.2° |
| O3 | C3 | C4 | C5 | 178.2° | 180.0° |
| HO3 | O3 | C3 | C2 | 93.4° | 90.5° |
| HO3 | O3 | C3 | C4 | 87.4° | 89.9° |
| N1 | C2 | C2A | C3 | 179.7° | 179.7° |
| N1 | C2 | C2A | H2A1 | 84.6° | 90.0° |
| N1 | C2 | C2A | H2A2 | 155.4° | 150.0° |
| N1 | C2 | C2A | H2A3 | 35.3° | 30.0° |
| N1 | C2 | C3 | C4 | 0.6° | 0.5° |
| C2 | N1 | C6 | C5 | 2.8° | 0.0° |
| C2 | N1 | C6 | H6 | 177.2° | 179.9° |
| C6 | N1 | C2 | C2A | 179.0° | 180.0° |
| C6 | N1 | C2 | C3 | 0.7° | 0.3° |
| N1 | C6 | C5 | C4 | 4.5° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | C5A | 172.5° | 179.9° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C2A | C2 | C3 | C4 | 179.1° | 179.8° |
| C3 | C2 | C2A | H2A1 | 95.6° | 90.3° |
| C3 | C2 | C2A | H2A2 | 24.4° | 29.7° |
| C3 | C2 | C2A | H2A3 | 144.4° | 149.7° |
| C2 | C3 | C4 | C4A | 178.5° | 179.7° |
| C2 | C3 | C4 | C5 | 2.6° | 0.5° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C3 | C4 | C4A | C5 | 178.9° | 179.8° |
| C3 | C4 | C4A | O4A | 18.1° | 30.2° |
| C3 | C4 | C4A | O4B | 101.8° | 150.2° |
| C3 | C4 | C4A | H4A | 138.6° | 89.8° |
| C3 | C4 | C5 | C6 | 4.3° | 0.3° |
| C3 | C4 | C5 | C5A | 174.1° | 179.8° |
| C4 | C4A | O4A | O4B | 121.8° | 120.0° |
| C4 | C4A | O4A | H4A | 118.6° | 120.0° |
| C4 | C4A | O4B | H4A | 118.6° | 120.0° |
| C4 | C4A | O4A | H1 | 108.9° | 60.0° |
| C4 | C4A | O4B | H4B | 34.2° | 180.0° |
| C4A | C4 | C5 | C6 | 176.8° | 180.0° |
| C4A | C4 | C5 | C5A | 7.0° | 0.0° |
| C5 | C4 | C4A | O4A | 163.0° | 150.0° |
| C5 | C4 | C4A | O4B | 77.1° | 30.0° |
| C5 | C4 | C4A | H4A | 42.5° | 90.0° |
| C4 | C5 | C6 | C5A | 168.0° | 180.0° |
| C4 | C5 | C6 | H6 | 175.6° | 180.0° |
| C4 | C5 | C5A | O4P | 79.2° | 180.0° |
| C4 | C5 | C5A | H5A1 | 29.3° | 60.0° |
| C4 | C5 | C5A | H5A2 | 160.8° | 59.9° |
| O4A | C4A | O4B | H4A | 120.6° | 120.0° |
| O4A | C4A | O4B | H4B | 155.0° | 60.0° |
| O4B | C4A | O4A | H1 | 13.0° | 60.0° |
| H4A | C4A | O4A | H1 | 132.5° | 179.9° |
| H4A | C4A | O4B | H4B | 84.4° | 60.0° |
| C6 | C5 | C5A | O4P | 88.9° | 0.1° |
| C6 | C5 | C5A | H5A1 | 162.6° | 120.0° |
| C6 | C5 | C5A | H5A2 | 31.1° | 120.0° |
| C5A | C5 | C6 | H6 | 7.5° | 0.0° |
| C5 | C5A | O4P | H5A1 | 108.5° | 119.9° |
| C5 | C5A | O4P | H5A2 | 120.0° | 120.1° |
| C5 | C5A | H5A1 | H5A2 | 113.8° | 120.0° |
| C5 | C5A | O4P | P | 165.9° | 180.0° |
| O4P | C5A | H5A1 | H5A2 | 113.7° | 120.1° |
| C5A | O4P | P | O1P | 64.1° | 175.0° |
| C5A | O4P | P | O2P | 179.5° | 65.0° |
| C5A | O4P | P | O3P | 58.0° | 55.0° |
| H5A1 | C5A | O4P | P | 57.4° | 60.1° |
| H5A2 | C5A | O4P | P | 74.0° | 60.0° |
| O4P | P | O1P | O2P | 114.5° | 120.0° |
| O4P | P | O1P | O3P | 124.1° | 120.0° |
| O4P | P | O2P | O3P | 123.3° | 120.0° |
| O4P | P | O2P | H2P | 98.7° | 60.0° |
| O4P | P | O3P | H3P | 73.1° | 22.0° |
| O1P | P | O2P | O3P | 120.0° | 120.0° |
| O1P | P | O2P | H2P | 18.0° | 60.0° |
| O1P | P | O3P | H3P | 164.9° | 142.1° |
| O2P | P | O3P | H3P | 46.1° | 97.9° |
| O3P | P | O2P | H2P | 138.0° | 180.0° |
