PPC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.56Å | |
| C1 | O4 | sing | 1.44Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.54Å | 1.38Å | |
| C2 | O2 | sing | 1.43Å | 1.67Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.54Å | 1.37Å | |
| C3 | O3 | sing | 1.43Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.63Å | |
| C4 | O4 | sing | 1.45Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | O5 | sing | 1.43Å | 1.59Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| O1 | PA | sing | 1.61Å | 1.82Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| P | O1P | sing | 1.61Å | 1.41Å | |
| P | O2P | sing | 1.61Å | 1.38Å | |
| P | O3P | doub | 1.48Å | 1.38Å | |
| P | O5 | sing | 1.61Å | 1.67Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| PA | O1A | sing | 1.61Å | 1.62Å | |
| PA | O2A | doub | 1.48Å | 1.59Å | |
| PA | C3A | sing | 1.82Å | 1.71Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| PB | O1B | sing | 1.61Å | 1.82Å | |
| PB | O2B | doub | 1.48Å | 1.71Å | |
| PB | O3B | sing | 1.61Å | 1.70Å | |
| PB | C3A | sing | 1.82Å | 1.73Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C3A | H3A1 | sing | 1.09Å | 1.11Å | |
| C3A | H3A2 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 117.2° | 110.4° |
| C2 | C1 | O4 | 102.5° | 104.8° |
| C2 | C1 | H1 | 108.0° | 110.4° |
| C1 | C2 | C3 | 107.6° | 104.1° |
| C1 | C2 | O2 | 114.3° | 110.7° |
| C1 | C2 | H2 | 112.4° | 110.5° |
| O1 | C1 | O4 | 105.9° | 110.4° |
| O1 | C1 | H1 | 104.8° | 110.3° |
| C1 | O1 | PA | 119.3° | 106.8° |
| O4 | C1 | H1 | 119.0° | 110.4° |
| C1 | O4 | C4 | 108.6° | 105.4° |
| C3 | C2 | O2 | 120.2° | 110.6° |
| C3 | C2 | H2 | 105.0° | 110.5° |
| C2 | C3 | C4 | 109.0° | 104.2° |
| C2 | C3 | O3 | 113.0° | 110.5° |
| C2 | C3 | H3 | 105.2° | 110.6° |
| O2 | C2 | H2 | 96.5° | 110.4° |
| C2 | O2 | HO2 | 114.3° | 106.8° |
| C4 | C3 | O3 | 101.4° | 110.5° |
| C4 | C3 | H3 | 116.1° | 110.5° |
| C3 | C4 | C5 | 114.8° | 110.6° |
| C3 | C4 | O4 | 98.8° | 104.7° |
| C3 | C4 | H4 | 111.8° | 110.3° |
| O3 | C3 | H3 | 112.3° | 110.4° |
| C3 | O3 | HO3 | 112.9° | 106.8° |
| C5 | C4 | O4 | 105.1° | 110.4° |
| C5 | C4 | H4 | 106.0° | 110.3° |
| C4 | C5 | O5 | 114.8° | 109.5° |
| C4 | C5 | H51 | 110.3° | 109.4° |
| C4 | C5 | H52 | 110.3° | 109.5° |
| O4 | C4 | H4 | 120.6° | 110.4° |
| O5 | C5 | H51 | 110.2° | 109.5° |
| O5 | C5 | H52 | 110.2° | 109.5° |
| C5 | O5 | P | 117.5° | 106.8° |
| H51 | C5 | H52 | 100.0° | 109.5° |
| O1 | PA | O1A | 105.3° | 109.4° |
| O1 | PA | O2A | 113.0° | 109.5° |
| O1 | PA | C3A | 113.2° | 109.5° |
| O1P | P | O2P | 110.1° | 109.5° |
| O1P | P | O3P | 105.5° | 109.4° |
| O1P | P | O5 | 111.4° | 109.5° |
| P | O1P | HO1P | 110.1° | 106.8° |
| O2P | P | O3P | 110.8° | 109.5° |
| O2P | P | O5 | 103.2° | 109.5° |
| P | O2P | HO2P | 110.1° | 106.8° |
| O3P | P | O5 | 115.9° | 109.4° |
| O1A | PA | O2A | 109.2° | 109.4° |
| O1A | PA | C3A | 108.8° | 109.5° |
| PA | O1A | HO1A | 105.3° | 106.8° |
| O2A | PA | C3A | 107.3° | 109.4° |
| PA | C3A | PB | 115.3° | 109.5° |
| PA | C3A | H3A1 | 110.0° | 109.5° |
| PA | C3A | H3A2 | 110.1° | 109.5° |
| O1B | PB | O2B | 108.2° | 109.5° |
| O1B | PB | O3B | 107.0° | 109.4° |
| O1B | PB | C3A | 114.0° | 109.5° |
| PB | O1B | HO1B | 108.2° | 106.8° |
| O2B | PB | O3B | 106.6° | 109.5° |
| O2B | PB | C3A | 108.6° | 109.5° |
| O3B | PB | C3A | 112.1° | 109.5° |
| PB | O3B | HO3B | 107.0° | 106.8° |
| PB | C3A | H3A1 | 110.1° | 109.5° |
| PB | C3A | H3A2 | 110.1° | 109.4° |
| H3A1 | C3A | H3A2 | 100.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O4 | 113.6° | 115.4° |
| C2 | C1 | O1 | H1 | 119.8° | 122.3° |
| C2 | C1 | O4 | H1 | 119.0° | 118.9° |
| C1 | C2 | C3 | O2 | 133.2° | 118.9° |
| C1 | C2 | C3 | H2 | 119.9° | 118.6° |
| C1 | C2 | O2 | H2 | 118.2° | 122.6° |
| C1 | C2 | C3 | C4 | 35.9° | 0.0° |
| C1 | C2 | C3 | O3 | 76.1° | 118.7° |
| C1 | C2 | C3 | H3 | 161.0° | 118.8° |
| C2 | C1 | O4 | C4 | 6.1° | 40.4° |
| C2 | C1 | O1 | PA | 151.2° | 150.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 65.2° |
| O1 | C1 | O4 | H1 | 117.5° | 122.3° |
| O1 | C1 | C2 | C3 | 99.2° | 95.0° |
| O1 | C1 | C2 | O2 | 37.0° | 23.8° |
| O1 | C1 | C2 | H2 | 145.7° | 146.4° |
| O1 | C1 | O4 | C4 | 129.5° | 78.5° |
| C1 | O1 | PA | O1A | 44.4° | 60.0° |
| C1 | O1 | PA | O2A | 74.6° | 60.0° |
| C1 | O1 | PA | C3A | 163.2° | 179.9° |
| O4 | C1 | C2 | C3 | 16.3° | 23.9° |
| O4 | C1 | C2 | O2 | 152.5° | 142.7° |
| O4 | C1 | C2 | H2 | 98.8° | 94.7° |
| C1 | O4 | C4 | C3 | 25.6° | 40.3° |
| C1 | O4 | C4 | C5 | 93.1° | 159.4° |
| C1 | O4 | C4 | H4 | 147.4° | 78.3° |
| O4 | C1 | O1 | PA | 37.6° | 94.6° |
| H1 | C1 | C2 | C3 | 142.7° | 142.8° |
| H1 | C1 | C2 | O2 | 81.0° | 98.5° |
| H1 | C1 | C2 | H2 | 27.7° | 24.1° |
| H1 | C1 | O4 | C4 | 113.0° | 159.3° |
| H1 | C1 | O1 | PA | 89.0° | 27.7° |
| C3 | C2 | O2 | H2 | 111.5° | 122.6° |
| C2 | C3 | C4 | O3 | 119.4° | 118.7° |
| C2 | C3 | C4 | H3 | 118.5° | 118.8° |
| C2 | C3 | O3 | H3 | 118.9° | 122.6° |
| C2 | C3 | C4 | C5 | 74.7° | 142.8° |
| C2 | C3 | C4 | O4 | 36.5° | 23.8° |
| C2 | C3 | C4 | H4 | 164.5° | 94.9° |
| C3 | C2 | O2 | HO2 | 49.7° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 63.3° |
| O2 | C2 | C3 | C4 | 169.1° | 118.9° |
| O2 | C2 | C3 | O3 | 57.1° | 0.2° |
| O2 | C2 | C3 | H3 | 65.8° | 122.3° |
| H2 | C2 | C3 | C4 | 84.0° | 118.6° |
| H2 | C2 | C3 | O3 | 164.0° | 122.7° |
| H2 | C2 | C3 | H3 | 41.1° | 0.2° |
| H2 | C2 | O2 | HO2 | 61.8° | 57.4° |
| C4 | C3 | O3 | H3 | 124.6° | 122.6° |
| C3 | C4 | C5 | O4 | 107.3° | 115.4° |
| C3 | C4 | C5 | H4 | 123.9° | 122.3° |
| C3 | C4 | O4 | H4 | 121.8° | 118.6° |
| C3 | C4 | C5 | O5 | 123.0° | 176.9° |
| C3 | C4 | C5 | H51 | 2.2° | 63.1° |
| C3 | C4 | C5 | H52 | 111.7° | 56.9° |
| C4 | C3 | O3 | HO3 | 63.5° | 178.1° |
| O3 | C3 | C4 | C5 | 165.9° | 98.6° |
| O3 | C3 | C4 | O4 | 82.9° | 142.5° |
| O3 | C3 | C4 | H4 | 45.1° | 23.8° |
| H3 | C3 | C4 | C5 | 43.8° | 24.0° |
| H3 | C3 | C4 | O4 | 155.0° | 95.0° |
| H3 | C3 | C4 | H4 | 77.0° | 146.3° |
| H3 | C3 | O3 | HO3 | 61.1° | 59.3° |
| C5 | C4 | O4 | H4 | 119.4° | 122.3° |
| C4 | C5 | O5 | H51 | 125.3° | 120.0° |
| C4 | C5 | O5 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 116.2° | 120.0° |
| C4 | C5 | O5 | P | 60.4° | 180.0° |
| O4 | C4 | C5 | O5 | 129.6° | 61.5° |
| O4 | C4 | C5 | H51 | 105.1° | 178.5° |
| O4 | C4 | C5 | H52 | 4.4° | 58.5° |
| H4 | C4 | C5 | O5 | 0.9° | 60.8° |
| H4 | C4 | C5 | H51 | 126.1° | 59.2° |
| H4 | C4 | C5 | H52 | 124.3° | 179.2° |
| O5 | C5 | H51 | H52 | 116.0° | 120.1° |
| C5 | O5 | P | O1P | 67.8° | 179.9° |
| C5 | O5 | P | O2P | 174.1° | 60.0° |
| C5 | O5 | P | O3P | 52.8° | 60.0° |
| H51 | C5 | O5 | P | 174.3° | 60.0° |
| H52 | C5 | O5 | P | 64.9° | 60.0° |
| O1 | PA | O1A | O2A | 121.6° | 120.0° |
| O1 | PA | O1A | C3A | 121.6° | 120.1° |
| O1 | PA | O2A | C3A | 125.4° | 120.0° |
| O1 | PA | O1A | HO1A | 180.0° | 60.1° |
| O1 | PA | C3A | PB | 64.8° | 180.0° |
| O1 | PA | C3A | H3A1 | 169.9° | 60.0° |
| O1 | PA | C3A | H3A2 | 60.4° | 60.0° |
| O1P | P | O2P | O3P | 116.3° | 120.0° |
| O1P | P | O2P | O5 | 118.9° | 120.1° |
| O1P | P | O3P | O5 | 123.7° | 119.9° |
| O1P | P | O2P | HO2P | 180.0° | 60.0° |
| O2P | P | O3P | O5 | 117.2° | 120.0° |
| O2P | P | O1P | HO1P | 180.0° | 59.9° |
| O3P | P | O1P | HO1P | 60.4° | 60.1° |
| O3P | P | O2P | HO2P | 63.7° | 180.0° |
| O5 | P | O1P | HO1P | 66.1° | 180.0° |
| O5 | P | O2P | HO2P | 61.0° | 60.0° |
| O1A | PA | O2A | C3A | 117.8° | 120.0° |
| O1A | PA | C3A | PB | 51.8° | 60.0° |
| O1A | PA | C3A | H3A1 | 73.4° | 180.0° |
| O1A | PA | C3A | H3A2 | 177.1° | 60.0° |
| O2A | PA | O1A | HO1A | 58.4° | 180.0° |
| O2A | PA | C3A | PB | 169.8° | 60.0° |
| O2A | PA | C3A | H3A1 | 44.6° | 60.1° |
| O2A | PA | C3A | H3A2 | 64.9° | 180.0° |
| C3A | PA | O1A | HO1A | 58.4° | 60.0° |
| PA | C3A | PB | O1B | 49.8° | 180.0° |
| PA | C3A | PB | O2B | 170.5° | 60.1° |
| PA | C3A | PB | O3B | 71.9° | 60.0° |
| PA | C3A | PB | H3A1 | 125.2° | 120.1° |
| PA | C3A | PB | H3A2 | 125.2° | 120.0° |
| PA | C3A | H3A1 | H3A2 | 115.9° | 120.0° |
| O1B | PB | O2B | O3B | 114.8° | 120.0° |
| O1B | PB | O2B | C3A | 124.3° | 120.0° |
| O1B | PB | O3B | C3A | 125.7° | 120.0° |
| O1B | PB | O3B | HO3B | 180.0° | 60.0° |
| O1B | PB | C3A | H3A1 | 175.0° | 59.9° |
| O1B | PB | C3A | H3A2 | 75.5° | 60.0° |
| O2B | PB | O3B | C3A | 118.7° | 120.0° |
| O2B | PB | O1B | HO1B | 180.0° | 60.0° |
| O2B | PB | O3B | HO3B | 64.4° | 180.0° |
| O2B | PB | C3A | H3A1 | 64.3° | 60.1° |
| O2B | PB | C3A | H3A2 | 45.3° | 180.0° |
| O3B | PB | O1B | HO1B | 65.5° | 60.0° |
| O3B | PB | C3A | H3A1 | 53.3° | 179.9° |
| O3B | PB | C3A | H3A2 | 162.8° | 60.0° |
| C3A | PB | O1B | HO1B | 59.0° | 180.0° |
| C3A | PB | O3B | HO3B | 54.3° | 60.0° |
| PB | C3A | H3A1 | H3A2 | 115.9° | 119.9° |
