CKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| O1P | P | doub | 1.48Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C5 | O5 | sing | 1.44Å | 1.46Å | |
| O2P | P | sing | 1.61Å | 1.51Å | |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| P | O6 | sing | 1.61Å | 1.62Å | |
| P | O3P | sing | 1.61Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| O5 | C2 | sing | 1.44Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | O6B | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| O3P | H1 | sing | 0.97Å | 0.95Å | |
| O2P | H2 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 109.8° | 110.9° |
| O4 | C4 | C3 | 115.6° | 110.9° |
| O4 | C4 | H4 | 111.3° | 110.8° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | C3 | 99.7° | 102.1° |
| C4 | C5 | C6 | 105.7° | 110.6° |
| C4 | C5 | O5 | 108.9° | 103.5° |
| C4 | C5 | H5 | 109.4° | 110.8° |
| C5 | C4 | H4 | 109.9° | 110.9° |
| C4 | C3 | O3 | 117.8° | 110.5° |
| C4 | C3 | C2 | 108.3° | 104.1° |
| C3 | C4 | H4 | 110.0° | 110.9° |
| C4 | C3 | H3 | 104.4° | 110.5° |
| O1P | P | O2P | 112.9° | 109.5° |
| O1P | P | O6 | 102.7° | 109.5° |
| O1P | P | O3P | 115.2° | 109.5° |
| C5 | C6 | O6 | 110.0° | 109.4° |
| C6 | C5 | O5 | 112.9° | 110.6° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| C6 | C5 | H5 | 109.5° | 110.6° |
| C6 | O6 | P | 121.4° | 123.0° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.3° | 109.5° |
| C5 | O5 | C2 | 109.4° | 107.0° |
| O5 | C5 | H5 | 110.3° | 110.6° |
| O2P | P | O6 | 109.3° | 109.5° |
| O2P | P | O3P | 115.6° | 109.5° |
| P | O2P | H2 | 109.5° | 114.0° |
| O3 | C3 | C2 | 115.1° | 110.5° |
| O3 | C3 | H3 | 105.4° | 110.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O6 | P | O3P | 99.2° | 109.5° |
| P | O3P | H1 | 109.5° | 114.0° |
| C3 | C2 | O2 | 116.6° | 109.9° |
| C3 | C2 | O5 | 99.3° | 107.3° |
| C3 | C2 | C1 | 105.6° | 109.8° |
| C2 | C3 | H3 | 104.3° | 110.5° |
| O2 | C2 | O5 | 107.8° | 109.9° |
| O2 | C2 | C1 | 108.7° | 109.8° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O5 | C2 | C1 | 119.1° | 110.0° |
| C2 | C1 | O6B | 116.8° | 120.0° |
| C2 | C1 | O1 | 121.4° | 120.0° |
| O6B | C1 | O1 | 121.7° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C3 | 121.8° | 118.2° |
| O4 | C4 | C5 | H4 | 122.7° | 123.6° |
| O4 | C4 | C3 | H4 | 127.0° | 123.6° |
| O4 | C4 | C5 | C6 | 122.2° | 86.3° |
| O4 | C4 | C5 | O5 | 116.2° | 155.2° |
| O4 | C4 | C3 | O3 | 42.1° | 20.5° |
| O4 | C4 | C3 | C2 | 90.7° | 139.1° |
| O4 | C4 | C5 | H5 | 4.3° | 36.7° |
| O4 | C4 | C3 | H3 | 158.6° | 102.2° |
| C5 | C4 | C3 | H4 | 115.5° | 118.2° |
| C4 | C5 | C6 | O5 | 118.9° | 114.0° |
| C4 | C5 | C6 | H5 | 117.8° | 123.1° |
| C4 | C5 | C6 | O6 | 164.7° | 179.5° |
| C4 | C5 | O5 | H5 | 120.0° | 118.6° |
| C5 | C4 | C3 | O3 | 159.6° | 97.8° |
| C5 | C4 | C3 | C2 | 26.8° | 20.9° |
| C4 | C5 | O5 | C2 | 19.1° | 40.1° |
| C4 | C5 | C6 | H61 | 75.2° | 60.5° |
| C4 | C5 | C6 | H62 | 44.7° | 59.5° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 83.9° | 139.5° |
| C3 | C4 | C5 | C6 | 116.0° | 155.5° |
| C3 | C4 | C5 | O5 | 5.5° | 37.0° |
| C4 | C3 | O3 | C2 | 129.8° | 114.7° |
| C4 | C3 | O3 | H3 | 115.9° | 122.7° |
| C4 | C3 | C2 | H3 | 110.8° | 118.7° |
| C4 | C3 | C2 | O2 | 77.2° | 117.4° |
| C4 | C3 | C2 | O5 | 38.2° | 2.1° |
| C4 | C3 | C2 | C1 | 162.0° | 121.6° |
| C3 | C4 | C5 | H5 | 126.1° | 81.5° |
| C3 | C4 | O4 | HO4 | 68.2° | 67.2° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| O1P | P | O6 | C6 | 86.3° | 55.0° |
| O1P | P | O2P | O6 | 113.6° | 120.0° |
| O1P | P | O2P | O3P | 135.6° | 120.0° |
| O1P | P | O6 | O3P | 118.6° | 120.0° |
| O1P | P | O3P | H1 | 0.0° | 60.0° |
| O1P | P | O2P | H2 | 0.0° | 180.0° |
| C5 | C6 | O6 | H61 | 120.1° | 120.0° |
| C5 | C6 | O6 | H62 | 120.1° | 120.0° |
| C6 | C5 | O5 | H5 | 122.9° | 122.9° |
| C5 | C6 | O6 | P | 161.8° | 180.0° |
| C6 | C5 | O5 | C2 | 136.2° | 158.6° |
| C5 | C6 | H61 | H62 | 119.7° | 120.0° |
| C6 | C5 | C4 | H4 | 0.5° | 37.3° |
| O6 | C6 | C5 | O5 | 45.8° | 66.5° |
| C6 | O6 | P | O2P | 33.7° | 65.0° |
| C6 | O6 | P | O3P | 155.1° | 175.0° |
| O6 | C6 | H61 | H62 | 119.8° | 120.0° |
| O6 | C6 | C5 | H5 | 77.5° | 56.4° |
| C5 | O5 | C2 | C3 | 34.0° | 26.5° |
| C5 | O5 | C2 | O2 | 88.0° | 92.9° |
| C5 | O5 | C2 | C1 | 147.7° | 146.0° |
| O5 | C5 | C6 | H61 | 165.9° | 53.5° |
| O5 | C5 | C6 | H62 | 74.2° | 173.5° |
| O5 | C5 | C4 | H4 | 121.1° | 81.2° |
| O2P | P | O6 | O3P | 121.4° | 120.0° |
| O2P | P | O3P | H1 | 134.5° | 60.0° |
| O3 | C3 | C2 | H3 | 115.0° | 122.7° |
| O3 | C3 | C2 | O2 | 57.1° | 1.2° |
| O3 | C3 | C2 | O5 | 172.4° | 120.7° |
| O3 | C3 | C2 | C1 | 63.7° | 119.7° |
| O3 | C3 | C4 | H4 | 84.9° | 144.0° |
| O6 | P | O3P | H1 | 108.8° | 180.0° |
| O6 | P | O2P | H2 | 113.6° | 60.0° |
| P | O6 | C6 | H61 | 41.8° | 60.0° |
| P | O6 | C6 | H62 | 78.1° | 60.0° |
| O3P | P | O2P | H2 | 135.5° | 60.0° |
| C3 | C2 | O2 | O5 | 110.6° | 117.9° |
| C3 | C2 | O2 | C1 | 119.1° | 120.9° |
| C3 | C2 | O5 | C1 | 113.7° | 119.5° |
| C3 | C2 | C1 | O6B | 111.4° | 125.3° |
| C3 | C2 | C1 | O1 | 65.3° | 54.8° |
| C3 | C2 | O2 | HO2 | 112.3° | 180.0° |
| C2 | C3 | C4 | H4 | 142.3° | 97.3° |
| C2 | C3 | O3 | HO3 | 50.2° | 65.3° |
| O2 | C2 | O5 | C1 | 124.3° | 121.0° |
| O2 | C2 | C1 | O6B | 14.4° | 4.3° |
| O2 | C2 | C1 | O1 | 168.9° | 175.7° |
| O2 | C2 | C3 | H3 | 172.1° | 123.9° |
| O5 | C2 | C1 | O6B | 138.2° | 116.8° |
| O5 | C2 | C1 | O1 | 45.1° | 63.2° |
| C2 | O5 | C5 | H5 | 101.0° | 78.6° |
| O5 | C2 | O2 | HO2 | 137.2° | 62.1° |
| O5 | C2 | C3 | H3 | 72.6° | 116.6° |
| C2 | C1 | O6B | O1 | 176.7° | 179.9° |
| C1 | C2 | O2 | HO2 | 6.8° | 59.0° |
| C1 | C2 | C3 | H3 | 51.3° | 3.0° |
| C2 | C1 | O1 | HO1 | 176.5° | 180.0° |
| O6B | C1 | O1 | HO1 | 0.0° | 0.1° |
| H61 | C6 | C5 | H5 | 42.6° | 176.4° |
| H62 | C6 | C5 | H5 | 162.5° | 63.6° |
| H5 | C5 | C4 | H4 | 118.4° | 160.3° |
| H4 | C4 | O4 | HO4 | 58.1° | 56.4° |
| H4 | C4 | C3 | H3 | 31.6° | 21.3° |
| H3 | C3 | O3 | HO3 | 64.1° | 57.4° |
