M1P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C5 | O5 | sing | 1.43Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| O5 | C1 | sing | 1.42Å | 1.47Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| O1 | P | sing | 1.61Å | 1.61Å | |
| P | O1P | doub | 1.48Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O3P | sing | 1.61Å | 1.50Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O6 | HO6 | 108.9° | 106.9° |
| O6 | C6 | C5 | 109.0° | 109.5° |
| O6 | C6 | H61 | 112.4° | 109.5° |
| O6 | C6 | H62 | 112.4° | 109.5° |
| C5 | C6 | H61 | 112.4° | 109.4° |
| C5 | C6 | H62 | 112.4° | 109.5° |
| C6 | C5 | O5 | 109.3° | 109.5° |
| C6 | C5 | C4 | 110.0° | 109.4° |
| C6 | C5 | H5 | 109.9° | 109.4° |
| H61 | C6 | H62 | 98.0° | 109.5° |
| O5 | C5 | C4 | 111.6° | 109.7° |
| O5 | C5 | H5 | 108.4° | 109.4° |
| C5 | O5 | C1 | 112.3° | 107.6° |
| C4 | C5 | H5 | 107.6° | 109.4° |
| C5 | C4 | C3 | 109.5° | 109.0° |
| C5 | C4 | O4 | 108.8° | 109.5° |
| C5 | C4 | H4 | 110.1° | 109.7° |
| O5 | C1 | O1 | 109.7° | 109.4° |
| O5 | C1 | C2 | 110.9° | 109.9° |
| O5 | C1 | H1 | 107.7° | 109.4° |
| O1 | C1 | C2 | 107.4° | 109.3° |
| O1 | C1 | H1 | 111.2° | 109.4° |
| C1 | O1 | P | 117.9° | 106.8° |
| C2 | C1 | H1 | 109.9° | 109.4° |
| C1 | C2 | O2 | 107.7° | 109.5° |
| C1 | C2 | C3 | 111.2° | 109.0° |
| C1 | C2 | H2 | 109.6° | 109.6° |
| O1 | P | O1P | 110.4° | 109.5° |
| O1 | P | O2P | 109.8° | 109.5° |
| O1 | P | O3P | 105.9° | 109.5° |
| O1P | P | O2P | 109.7° | 109.5° |
| O1P | P | O3P | 109.7° | 109.5° |
| O2P | P | O3P | 111.3° | 109.5° |
| P | O2P | H2P | 109.8° | 106.8° |
| P | O3P | H3P | 106.0° | 106.8° |
| O2 | C2 | C3 | 109.7° | 109.6° |
| O2 | C2 | H2 | 111.1° | 109.5° |
| C2 | O2 | HO2 | 107.7° | 106.8° |
| C3 | C2 | H2 | 107.6° | 109.6° |
| C2 | C3 | O3 | 109.5° | 109.6° |
| C2 | C3 | C4 | 111.0° | 108.6° |
| C2 | C3 | H3 | 108.2° | 109.6° |
| O3 | C3 | C4 | 108.8° | 109.7° |
| O3 | C3 | H3 | 110.4° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C4 | C3 | H3 | 108.9° | 109.7° |
| C3 | C4 | O4 | 110.1° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.6° |
| O4 | C4 | H4 | 109.5° | 109.5° |
| C4 | O4 | HO4 | 108.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 125.3° | 120.0° |
| O6 | C6 | C5 | H62 | 125.3° | 120.0° |
| O6 | C6 | H61 | H62 | 118.3° | 120.0° |
| O6 | C6 | C5 | O5 | 72.1° | 59.8° |
| O6 | C6 | C5 | C4 | 50.7° | 179.9° |
| O6 | C6 | C5 | H5 | 169.1° | 60.0° |
| HO6 | O6 | C6 | C5 | 180.0° | 180.0° |
| HO6 | O6 | C6 | H61 | 54.7° | 60.0° |
| HO6 | O6 | C6 | H62 | 54.7° | 60.0° |
| C5 | C6 | H61 | H62 | 118.2° | 120.0° |
| C6 | C5 | O5 | C4 | 121.9° | 120.1° |
| C6 | C5 | O5 | H5 | 119.8° | 119.8° |
| C6 | C5 | C4 | H5 | 119.8° | 119.8° |
| C6 | C5 | O5 | C1 | 178.1° | 172.3° |
| C6 | C5 | C4 | C3 | 178.4° | 178.5° |
| C6 | C5 | C4 | O4 | 61.3° | 58.7° |
| C6 | C5 | C4 | H4 | 58.7° | 61.5° |
| H61 | C6 | C5 | O5 | 162.6° | 60.1° |
| H61 | C6 | C5 | C4 | 74.6° | 60.1° |
| H61 | C6 | C5 | H5 | 43.8° | 180.0° |
| H62 | C6 | C5 | O5 | 53.2° | 179.9° |
| H62 | C6 | C5 | C4 | 176.0° | 59.9° |
| H62 | C6 | C5 | H5 | 65.6° | 60.0° |
| O5 | C5 | C4 | H5 | 118.7° | 120.0° |
| C5 | O5 | C1 | O1 | 60.7° | 52.5° |
| C5 | O5 | C1 | C2 | 57.8° | 67.6° |
| C5 | O5 | C1 | H1 | 178.2° | 172.3° |
| O5 | C5 | C4 | C3 | 56.8° | 61.4° |
| O5 | C5 | C4 | O4 | 177.2° | 178.8° |
| O5 | C5 | C4 | H4 | 62.8° | 58.6° |
| C4 | C5 | O5 | C1 | 59.9° | 67.6° |
| C5 | C4 | C3 | C2 | 53.3° | 53.8° |
| C5 | C4 | C3 | O3 | 173.9° | 173.6° |
| C5 | C4 | C3 | O4 | 119.5° | 119.8° |
| C5 | C4 | C3 | H4 | 120.4° | 120.1° |
| C5 | C4 | C3 | H3 | 65.7° | 65.9° |
| C5 | C4 | O4 | H4 | 120.4° | 120.3° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.5° |
| H5 | C5 | O5 | C1 | 58.3° | 52.5° |
| H5 | C5 | C4 | C3 | 61.9° | 58.7° |
| H5 | C5 | C4 | O4 | 58.5° | 61.1° |
| H5 | C5 | C4 | H4 | 178.5° | 178.7° |
| O5 | C1 | O1 | C2 | 120.6° | 120.4° |
| O5 | C1 | O1 | H1 | 119.0° | 119.8° |
| O5 | C1 | C2 | H1 | 119.0° | 120.1° |
| O5 | C1 | O1 | P | 138.1° | 90.0° |
| O5 | C1 | C2 | O2 | 66.2° | 58.7° |
| O5 | C1 | C2 | C3 | 54.0° | 61.2° |
| O5 | C1 | C2 | H2 | 172.8° | 178.8° |
| O1 | C1 | C2 | H1 | 121.1° | 119.8° |
| C1 | O1 | P | O1P | 61.5° | 60.0° |
| C1 | O1 | P | O2P | 59.6° | 180.0° |
| C1 | O1 | P | O3P | 179.9° | 60.0° |
| O1 | C1 | C2 | O2 | 173.9° | 178.8° |
| O1 | C1 | C2 | C3 | 65.9° | 58.9° |
| O1 | C1 | C2 | H2 | 52.9° | 61.0° |
| C2 | C1 | O1 | P | 101.3° | 149.6° |
| C1 | C2 | O2 | C3 | 121.2° | 119.5° |
| C1 | C2 | O2 | H2 | 120.0° | 120.2° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | O2 | HO2 | 179.9° | 60.0° |
| C1 | C2 | C3 | O3 | 172.8° | 173.6° |
| C1 | C2 | C3 | C4 | 52.6° | 53.7° |
| C1 | C2 | C3 | H3 | 66.8° | 66.1° |
| H1 | C1 | O1 | P | 19.1° | 29.9° |
| H1 | C1 | C2 | O2 | 52.8° | 61.4° |
| H1 | C1 | C2 | C3 | 173.0° | 178.7° |
| H1 | C1 | C2 | H2 | 68.2° | 58.8° |
| O1 | P | O1P | O2P | 121.2° | 120.0° |
| O1 | P | O1P | O3P | 116.4° | 120.0° |
| O1 | P | O2P | O3P | 117.0° | 120.0° |
| O1 | P | O2P | H2P | 179.9° | 180.0° |
| O1 | P | O3P | H3P | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 121.5° | 120.0° |
| O1P | P | O2P | H2P | 58.5° | 60.0° |
| O1P | P | O3P | H3P | 60.9° | 180.0° |
| O2P | P | O3P | H3P | 60.6° | 60.0° |
| O3P | P | O2P | H2P | 63.0° | 60.0° |
| O2 | C2 | C3 | H2 | 121.0° | 120.2° |
| O2 | C2 | C3 | O3 | 53.8° | 53.7° |
| O2 | C2 | C3 | C4 | 66.4° | 66.1° |
| O2 | C2 | C3 | H3 | 174.2° | 174.0° |
| C3 | C2 | O2 | HO2 | 58.8° | 179.5° |
| C2 | C3 | O3 | C4 | 121.5° | 119.2° |
| C2 | C3 | O3 | H3 | 119.0° | 120.3° |
| C2 | C3 | C4 | H3 | 119.0° | 119.7° |
| C2 | C3 | O3 | HO3 | 179.9° | 60.0° |
| C2 | C3 | C4 | O4 | 172.9° | 173.6° |
| C2 | C3 | C4 | H4 | 67.1° | 66.2° |
| H2 | C2 | O2 | HO2 | 60.0° | 60.2° |
| H2 | C2 | C3 | O3 | 67.2° | 66.5° |
| H2 | C2 | C3 | C4 | 172.6° | 173.6° |
| H2 | C2 | C3 | H3 | 53.2° | 53.8° |
| O3 | C3 | C4 | H3 | 120.4° | 120.5° |
| O3 | C3 | C4 | O4 | 66.6° | 66.6° |
| O3 | C3 | C4 | H4 | 53.5° | 53.6° |
| C4 | C3 | O3 | HO3 | 58.6° | 179.1° |
| C3 | C4 | O4 | H4 | 119.6° | 120.2° |
| C3 | C4 | O4 | HO4 | 60.0° | 60.0° |
| H3 | C3 | O3 | HO3 | 60.9° | 60.3° |
| H3 | C3 | C4 | O4 | 53.9° | 53.9° |
| H3 | C3 | C4 | H4 | 173.9° | 174.0° |
| H4 | C4 | O4 | HO4 | 59.6° | 60.2° |
