KPG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.61Å | |
| O2P | P | sing | 1.61Å | 1.61Å | |
| P | O3P | sing | 1.61Å | 1.60Å | |
| P | O6 | sing | 1.61Å | 1.60Å | |
| O12 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O11 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | O5 | doub | 1.21Å | 1.21Å | |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 111.1° | 109.5° |
| O1P | P | O3P | 110.8° | 109.5° |
| O1P | P | O6 | 110.0° | 109.4° |
| O2P | P | O3P | 109.5° | 109.5° |
| O2P | P | O6 | 106.1° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O3P | P | O6 | 109.2° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| P | O6 | C6 | 107.7° | 123.0° |
| O12 | C1 | C2 | 107.8° | 109.5° |
| O12 | C1 | O11 | 108.1° | 109.5° |
| C1 | O12 | HO12 | 109.5° | 114.0° |
| O12 | C1 | H1 | 111.8° | 109.5° |
| C2 | C1 | O11 | 110.4° | 109.5° |
| C1 | C2 | O2 | 109.2° | 109.5° |
| C1 | C2 | C3 | 108.3° | 109.5° |
| C1 | C2 | H2 | 111.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C1 | O11 | HO11 | 109.5° | 114.0° |
| O11 | C1 | H1 | 109.2° | 109.5° |
| O2 | C2 | C3 | 111.7° | 109.4° |
| O2 | C2 | H2 | 107.8° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C2 | C3 | C4 | 110.8° | 109.5° |
| C2 | C3 | O3 | 113.6° | 109.4° |
| C2 | C3 | H3 | 105.6° | 109.5° |
| C4 | C3 | O3 | 109.0° | 109.5° |
| C4 | C3 | H3 | 110.4° | 109.5° |
| C3 | C4 | O4 | 108.7° | 109.5° |
| C3 | C4 | C5 | 106.9° | 109.5° |
| C3 | C4 | H4 | 111.7° | 109.5° |
| O3 | C3 | H3 | 107.4° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C4 | C5 | 109.7° | 109.5° |
| O4 | C4 | H4 | 109.0° | 109.4° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| C5 | C4 | H4 | 110.8° | 109.5° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C4 | C5 | O5 | 121.3° | 120.0° |
| C6 | C5 | O5 | 119.5° | 119.9° |
| C5 | C6 | O6 | 107.0° | 109.5° |
| C5 | C6 | H6 | 110.3° | 109.5° |
| C5 | C6 | H6A | 110.3° | 109.4° |
| O6 | C6 | H6 | 110.3° | 109.5° |
| O6 | C6 | H6A | 110.3° | 109.5° |
| H6 | C6 | H6A | 108.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 122.7° | 120.0° |
| O1P | P | O2P | O6 | 119.6° | 120.0° |
| O1P | P | O3P | O6 | 121.4° | 120.0° |
| O1P | P | O6 | C6 | 159.5° | 55.0° |
| O1P | P | O2P | HO2P | 0.0° | 180.0° |
| O1P | P | O3P | HO3P | 0.0° | 60.0° |
| O2P | P | O3P | O6 | 115.8° | 120.0° |
| O2P | P | O6 | C6 | 80.3° | 65.0° |
| O2P | P | O3P | HO3P | 122.9° | 60.0° |
| O3P | P | O6 | C6 | 37.6° | 175.0° |
| O3P | P | O2P | HO2P | 122.7° | 60.0° |
| P | O6 | C6 | C5 | 144.5° | 180.0° |
| P | O6 | C6 | H6 | 24.4° | 60.0° |
| P | O6 | C6 | H6A | 95.5° | 60.0° |
| O6 | P | O2P | HO2P | 119.6° | 60.1° |
| O6 | P | O3P | HO3P | 121.4° | 180.0° |
| O12 | C1 | C2 | O11 | 117.9° | 120.0° |
| O12 | C1 | C2 | H1 | 121.8° | 120.0° |
| O12 | C1 | O11 | H1 | 121.8° | 120.0° |
| O12 | C1 | C2 | O2 | 65.1° | 65.0° |
| O12 | C1 | C2 | C3 | 173.1° | 175.0° |
| O12 | C1 | C2 | H2 | 53.8° | 55.0° |
| O12 | C1 | O11 | HO11 | 180.0° | 60.0° |
| C2 | C1 | O11 | H1 | 120.5° | 120.0° |
| C1 | C2 | O2 | C3 | 119.8° | 120.0° |
| C1 | C2 | O2 | H2 | 120.9° | 120.0° |
| C1 | C2 | C3 | H2 | 120.9° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C1 | C2 | C3 | C4 | 98.4° | 180.0° |
| C1 | C2 | C3 | O3 | 138.5° | 60.0° |
| C1 | C2 | C3 | H3 | 21.1° | 60.0° |
| C2 | C1 | O11 | HO11 | 62.3° | 60.0° |
| C2 | C1 | O12 | HO12 | 180.0° | 180.0° |
| O11 | C1 | C2 | O2 | 177.0° | 55.0° |
| O11 | C1 | C2 | C3 | 55.2° | 65.0° |
| O11 | C1 | C2 | H2 | 64.2° | 175.0° |
| O11 | C1 | O12 | HO12 | 60.7° | 60.0° |
| O2 | C2 | C3 | H2 | 118.8° | 120.0° |
| O2 | C2 | C3 | C4 | 21.8° | 60.0° |
| O2 | C2 | C3 | O3 | 101.2° | 180.0° |
| O2 | C2 | C3 | H3 | 141.4° | 60.0° |
| O2 | C2 | C1 | H1 | 56.7° | 175.0° |
| C3 | C2 | O2 | HO2 | 60.3° | 60.0° |
| C2 | C3 | C4 | O3 | 125.7° | 119.9° |
| C2 | C3 | C4 | H3 | 116.6° | 120.0° |
| C2 | C3 | O3 | H3 | 116.3° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 114.1° | 55.0° |
| C2 | C3 | C4 | C5 | 127.5° | 175.0° |
| C2 | C3 | C4 | H4 | 6.2° | 65.0° |
| C3 | C2 | C1 | H1 | 65.1° | 55.0° |
| H2 | C2 | O2 | HO2 | 59.1° | 180.0° |
| H2 | C2 | C3 | C4 | 140.7° | 60.0° |
| H2 | C2 | C3 | O3 | 17.6° | 60.0° |
| H2 | C2 | C3 | H3 | 99.8° | 180.0° |
| H2 | C2 | C1 | H1 | 175.6° | 65.0° |
| C4 | C3 | O3 | H3 | 119.7° | 120.0° |
| C4 | C3 | O3 | HO3 | 56.0° | 60.0° |
| C3 | C4 | O4 | C5 | 116.6° | 120.0° |
| C3 | C4 | O4 | H4 | 122.0° | 120.0° |
| C3 | C4 | C5 | H4 | 121.9° | 120.0° |
| C3 | C4 | O4 | HO4 | 104.0° | 60.0° |
| C3 | C4 | C5 | C6 | 93.3° | 75.0° |
| C3 | C4 | C5 | O5 | 88.0° | 105.0° |
| O3 | C3 | C4 | O4 | 11.6° | 65.0° |
| O3 | C3 | C4 | C5 | 106.8° | 55.0° |
| O3 | C3 | C4 | H4 | 131.9° | 175.1° |
| H3 | C3 | O3 | HO3 | 63.7° | 180.0° |
| H3 | C3 | C4 | O4 | 129.3° | 175.0° |
| H3 | C3 | C4 | C5 | 11.0° | 65.0° |
| H3 | C3 | C4 | H4 | 110.3° | 55.0° |
| O4 | C4 | C5 | H4 | 120.4° | 120.0° |
| O4 | C4 | C5 | C6 | 149.0° | 165.0° |
| O4 | C4 | C5 | O5 | 29.7° | 15.0° |
| C5 | C4 | O4 | HO4 | 12.6° | 60.0° |
| C4 | C5 | C6 | O5 | 178.7° | 180.0° |
| C4 | C5 | C6 | O6 | 101.2° | 180.0° |
| C4 | C5 | C6 | H6 | 18.8° | 60.0° |
| C4 | C5 | C6 | H6A | 138.8° | 60.0° |
| H4 | C4 | O4 | HO4 | 134.0° | 180.0° |
| H4 | C4 | C5 | C6 | 28.6° | 45.0° |
| H4 | C4 | C5 | O5 | 150.1° | 135.0° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 121.0° | 119.9° |
| O5 | C5 | C6 | O6 | 77.5° | 0.0° |
| O5 | C5 | C6 | H6 | 162.5° | 120.0° |
| O5 | C5 | C6 | H6A | 42.5° | 120.0° |
| O6 | C6 | H6 | H6A | 121.0° | 120.0° |
| HO11 | O11 | C1 | H1 | 58.2° | 179.9° |
| HO12 | O12 | C1 | H1 | 59.6° | 60.1° |
