M6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | O5 | sing | 1.43Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O5 | C5 | sing | 1.43Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | P | sing | 1.61Å | 1.59Å | |
| O3P | P | doub | 1.48Å | 1.51Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 110.4° | 109.5° |
| C2 | C1 | O5 | 109.9° | 109.4° |
| C2 | C1 | H1 | 108.1° | 109.4° |
| C1 | C2 | O2 | 109.7° | 109.5° |
| C1 | C2 | C3 | 108.7° | 109.2° |
| C1 | C2 | H2 | 109.8° | 109.5° |
| O1 | C1 | O5 | 108.2° | 109.5° |
| O1 | C1 | H1 | 109.9° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C1 | H1 | 110.3° | 109.5° |
| C1 | O5 | C5 | 114.3° | 114.1° |
| O2 | C2 | C3 | 109.5° | 109.5° |
| O2 | C2 | H2 | 109.0° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 110.0° | 109.6° |
| C2 | C3 | O3 | 110.1° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.1° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| O3 | C3 | C4 | 109.6° | 109.6° |
| O3 | C3 | H3 | 109.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| C4 | C3 | H3 | 109.2° | 109.5° |
| C3 | C4 | O4 | 109.5° | 109.5° |
| C3 | C4 | C5 | 108.8° | 109.2° |
| C3 | C4 | H4 | 110.3° | 109.5° |
| O4 | C4 | C5 | 110.6° | 109.5° |
| O4 | C4 | H4 | 108.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 109.2° | 109.6° |
| C4 | C5 | O5 | 109.2° | 109.4° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| O5 | C5 | C6 | 108.6° | 109.5° |
| O5 | C5 | H5 | 110.9° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | O6 | 115.2° | 109.5° |
| C5 | C6 | H61 | 107.6° | 109.5° |
| C5 | C6 | H62 | 106.3° | 109.5° |
| O6 | C6 | H61 | 107.6° | 109.5° |
| O6 | C6 | H62 | 106.3° | 109.4° |
| C6 | O6 | P | 123.1° | 123.0° |
| H61 | C6 | H62 | 114.0° | 109.4° |
| O6 | P | O3P | 110.3° | 109.5° |
| O6 | P | O1P | 110.5° | 109.5° |
| O6 | P | O2P | 110.4° | 109.5° |
| O3P | P | O1P | 108.7° | 109.5° |
| O3P | P | O2P | 108.9° | 109.4° |
| O1P | P | O2P | 108.0° | 109.5° |
| P | O1P | HO1P | 109.5° | 114.0° |
| P | O2P | HO2P | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 120.3° | 120.0° |
| C2 | C1 | O1 | H1 | 119.2° | 119.9° |
| C2 | C1 | O5 | H1 | 119.2° | 120.0° |
| C1 | C2 | O2 | C3 | 119.3° | 119.6° |
| C1 | C2 | O2 | H2 | 120.3° | 120.2° |
| C1 | C2 | C3 | H2 | 120.3° | 120.0° |
| C1 | C2 | C3 | O3 | 178.9° | 176.9° |
| C1 | C2 | C3 | C4 | 57.9° | 56.9° |
| C1 | C2 | C3 | H3 | 61.6° | 63.0° |
| C2 | C1 | O5 | C5 | 59.0° | 61.2° |
| C2 | C1 | O1 | HO1 | 169.3° | 180.0° |
| C1 | C2 | O2 | HO2 | 26.4° | 60.1° |
| O1 | C1 | O5 | H1 | 120.2° | 120.0° |
| O1 | C1 | C2 | O2 | 55.6° | 57.7° |
| O1 | C1 | C2 | C3 | 175.4° | 177.6° |
| O1 | C1 | C2 | H2 | 64.2° | 62.4° |
| O1 | C1 | O5 | C5 | 179.6° | 178.8° |
| O5 | C1 | C2 | O2 | 63.7° | 62.3° |
| O5 | C1 | C2 | C3 | 56.1° | 57.5° |
| O5 | C1 | C2 | H2 | 176.5° | 177.5° |
| C1 | O5 | C5 | C4 | 59.6° | 61.2° |
| C1 | O5 | C5 | C6 | 178.9° | 178.8° |
| C1 | O5 | C5 | H5 | 59.4° | 58.8° |
| O5 | C1 | O1 | HO1 | 49.0° | 60.0° |
| H1 | C1 | C2 | O2 | 175.8° | 177.7° |
| H1 | C1 | C2 | C3 | 64.4° | 62.5° |
| H1 | C1 | C2 | H2 | 56.0° | 57.5° |
| H1 | C1 | O5 | C5 | 60.2° | 58.8° |
| H1 | C1 | O1 | HO1 | 71.5° | 60.1° |
| O2 | C2 | C3 | H2 | 119.8° | 120.2° |
| O2 | C2 | C3 | O3 | 59.0° | 57.0° |
| O2 | C2 | C3 | C4 | 61.9° | 62.9° |
| O2 | C2 | C3 | H3 | 178.6° | 177.2° |
| C2 | C3 | O3 | C4 | 121.3° | 119.6° |
| C2 | C3 | O3 | H3 | 119.2° | 120.1° |
| C2 | C3 | C4 | H3 | 119.1° | 119.8° |
| C2 | C3 | C4 | O4 | 179.9° | 176.9° |
| C2 | C3 | C4 | C5 | 59.0° | 56.9° |
| C2 | C3 | C4 | H4 | 60.8° | 63.0° |
| C3 | C2 | O2 | HO2 | 92.8° | 179.7° |
| C2 | C3 | O3 | HO3 | 17.1° | 59.9° |
| H2 | C2 | C3 | O3 | 60.8° | 63.2° |
| H2 | C2 | C3 | C4 | 178.2° | 176.9° |
| H2 | C2 | C3 | H3 | 58.7° | 57.0° |
| H2 | C2 | O2 | HO2 | 146.7° | 60.1° |
| O3 | C3 | C4 | H3 | 119.6° | 120.2° |
| O3 | C3 | C4 | O4 | 58.8° | 63.2° |
| O3 | C3 | C4 | C5 | 179.7° | 176.9° |
| O3 | C3 | C4 | H4 | 60.5° | 56.9° |
| C3 | C4 | O4 | C5 | 119.8° | 119.7° |
| C3 | C4 | O4 | H4 | 120.4° | 120.1° |
| C3 | C4 | C5 | H4 | 120.4° | 119.9° |
| C3 | C4 | C5 | O5 | 58.0° | 57.6° |
| C3 | C4 | C5 | C6 | 177.8° | 177.6° |
| C3 | C4 | C5 | H5 | 62.8° | 62.4° |
| C4 | C3 | O3 | HO3 | 138.4° | 179.6° |
| C3 | C4 | O4 | HO4 | 49.4° | 60.0° |
| H3 | C3 | C4 | O4 | 60.8° | 57.1° |
| H3 | C3 | C4 | C5 | 60.1° | 62.9° |
| H3 | C3 | C4 | H4 | 179.9° | 177.2° |
| H3 | C3 | O3 | HO3 | 102.0° | 60.2° |
| O4 | C4 | C5 | H4 | 119.3° | 120.2° |
| O4 | C4 | C5 | O5 | 178.2° | 177.5° |
| O4 | C4 | C5 | C6 | 62.0° | 62.5° |
| O4 | C4 | C5 | H5 | 57.4° | 57.6° |
| C4 | C5 | O5 | C6 | 121.5° | 120.0° |
| C4 | C5 | O5 | H5 | 119.1° | 119.9° |
| C4 | C5 | C6 | H5 | 119.1° | 120.0° |
| C4 | C5 | C6 | O6 | 179.3° | 175.0° |
| C4 | C5 | C6 | H61 | 59.3° | 55.0° |
| C4 | C5 | C6 | H62 | 63.3° | 65.0° |
| C5 | C4 | O4 | HO4 | 169.2° | 179.7° |
| H4 | C4 | C5 | O5 | 62.5° | 62.3° |
| H4 | C4 | C5 | C6 | 57.4° | 57.7° |
| H4 | C4 | C5 | H5 | 176.8° | 177.7° |
| H4 | C4 | O4 | HO4 | 71.1° | 60.1° |
| O5 | C5 | C6 | H5 | 120.8° | 120.1° |
| O5 | C5 | C6 | O6 | 60.5° | 65.1° |
| O5 | C5 | C6 | H61 | 179.5° | 174.9° |
| O5 | C5 | C6 | H62 | 56.9° | 54.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.1° |
| C5 | C6 | O6 | H62 | 117.4° | 120.0° |
| C5 | C6 | H61 | H62 | 117.7° | 120.0° |
| C5 | C6 | O6 | P | 144.9° | 180.0° |
| H5 | C5 | C6 | O6 | 60.3° | 55.0° |
| H5 | C5 | C6 | H61 | 59.8° | 65.0° |
| H5 | C5 | C6 | H62 | 177.7° | 175.0° |
| O6 | C6 | H61 | H62 | 117.6° | 120.0° |
| C6 | O6 | P | O3P | 60.9° | 55.0° |
| C6 | O6 | P | O1P | 59.3° | 175.0° |
| C6 | O6 | P | O2P | 178.6° | 65.0° |
| H61 | C6 | O6 | P | 95.1° | 59.9° |
| H62 | C6 | O6 | P | 27.4° | 60.0° |
| O6 | P | O3P | O1P | 121.3° | 120.0° |
| O6 | P | O3P | O2P | 121.3° | 120.0° |
| O6 | P | O1P | O2P | 120.8° | 120.0° |
| O6 | P | O1P | HO1P | 50.5° | 180.0° |
| O6 | P | O2P | HO2P | 100.1° | 60.0° |
| O3P | P | O1P | O2P | 118.0° | 120.0° |
| O3P | P | O1P | HO1P | 70.7° | 60.0° |
| O3P | P | O2P | HO2P | 138.6° | 180.0° |
| O1P | P | O2P | HO2P | 20.8° | 60.0° |
| O2P | P | O1P | HO1P | 171.3° | 60.0° |
