PO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C4 | sing | 1.43Å | 1.42Å | |
| O11 | C6 | sing | 1.43Å | 1.44Å | |
| O9 | C3 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C2 | O8 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C7 | N12 | sing | 1.47Å | 1.49Å | |
| C7 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| N12 | HN11 | sing | 1.01Å | 1.00Å | |
| N12 | HN13 | sing | 1.01Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| HN12 | N12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C4 | C3 | 106.8° | 109.5° |
| O10 | C4 | C5 | 108.1° | 109.5° |
| O10 | C4 | H4 | 110.3° | 109.4° |
| C4 | O10 | HO10 | 109.5° | 114.1° |
| O11 | C6 | C5 | 116.3° | 109.5° |
| O11 | C6 | H61 | 107.7° | 109.5° |
| O11 | C6 | H6 | 107.7° | 109.4° |
| C6 | O11 | HO11 | 109.5° | 114.1° |
| O9 | C3 | C4 | 107.6° | 109.5° |
| O9 | C3 | C2 | 109.9° | 109.5° |
| O9 | C3 | H3 | 109.9° | 109.5° |
| C3 | O9 | HO9 | 109.5° | 114.0° |
| C3 | C4 | C5 | 114.0° | 109.5° |
| C4 | C3 | C2 | 112.2° | 109.4° |
| C4 | C3 | H3 | 108.6° | 109.4° |
| C3 | C4 | H4 | 108.9° | 109.5° |
| C4 | C5 | C6 | 112.6° | 109.5° |
| C4 | C5 | C7 | 111.6° | 109.5° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| C4 | C5 | H5 | 106.1° | 109.5° |
| C6 | C5 | C7 | 113.8° | 109.5° |
| C6 | C5 | H5 | 106.0° | 109.5° |
| C5 | C6 | H61 | 107.7° | 109.5° |
| C5 | C6 | H6 | 107.7° | 109.5° |
| C3 | C2 | O8 | 108.9° | 109.4° |
| C3 | C2 | C1 | 110.9° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C5 | C7 | N12 | 112.4° | 109.4° |
| C5 | C7 | C1 | 111.2° | 109.5° |
| C7 | C5 | H5 | 106.0° | 109.4° |
| C5 | C7 | H7 | 107.4° | 109.5° |
| O8 | C2 | C1 | 113.3° | 109.5° |
| O8 | C2 | H2 | 108.6° | 109.5° |
| C2 | O8 | HO8 | 109.5° | 114.0° |
| C2 | C1 | C7 | 111.6° | 109.5° |
| C2 | C1 | O1 | 111.6° | 109.5° |
| C2 | C1 | H11 | 107.9° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| N12 | C7 | C1 | 110.2° | 109.5° |
| N12 | C7 | H7 | 107.9° | 109.5° |
| C7 | N12 | HN11 | 109.5° | 109.5° |
| C7 | N12 | HN13 | 109.5° | 109.5° |
| C7 | N12 | HN12 | 109.5° | 109.5° |
| C7 | C1 | O1 | 108.5° | 109.5° |
| C7 | C1 | H11 | 108.0° | 109.5° |
| C1 | C7 | H7 | 107.4° | 109.5° |
| O1 | C1 | H11 | 109.2° | 109.4° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| H61 | C6 | H6 | 109.5° | 109.5° |
| HN11 | N12 | HN13 | 109.5° | 109.4° |
| HN11 | N12 | HN12 | 109.4° | 109.4° |
| HN13 | N12 | HN12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C4 | C3 | O9 | 68.1° | 60.0° |
| O10 | C4 | C3 | C5 | 119.3° | 120.1° |
| O10 | C4 | C3 | H4 | 119.0° | 119.9° |
| O10 | C4 | C5 | H4 | 119.8° | 119.9° |
| O10 | C4 | C5 | C6 | 60.8° | 60.0° |
| O10 | C4 | C3 | C2 | 170.8° | 179.9° |
| O10 | C4 | C5 | C7 | 169.8° | 180.0° |
| O10 | C4 | C3 | H3 | 50.7° | 60.1° |
| O10 | C4 | C5 | H5 | 54.7° | 60.1° |
| O11 | C6 | C5 | C4 | 62.3° | 65.0° |
| O11 | C6 | C5 | H61 | 121.0° | 120.0° |
| O11 | C6 | C5 | H6 | 121.0° | 120.0° |
| O11 | C6 | C5 | C7 | 65.9° | 175.0° |
| O11 | C6 | C5 | H5 | 177.9° | 55.0° |
| O11 | C6 | H61 | H6 | 116.9° | 120.0° |
| O9 | C3 | C4 | C2 | 121.0° | 120.0° |
| O9 | C3 | C4 | H3 | 118.9° | 120.0° |
| O9 | C3 | C4 | C5 | 172.5° | 180.0° |
| O9 | C3 | C2 | H3 | 120.2° | 120.1° |
| O9 | C3 | C2 | O8 | 62.1° | 60.0° |
| O9 | C3 | C2 | C1 | 172.6° | 180.0° |
| O9 | C3 | C2 | H2 | 55.4° | 60.0° |
| O9 | C3 | C4 | H4 | 50.9° | 60.0° |
| C3 | C4 | C5 | H4 | 121.7° | 120.0° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | C3 | C2 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | C7 | 51.2° | 59.9° |
| C4 | C3 | C2 | O8 | 178.2° | 180.0° |
| C4 | C3 | C2 | C1 | 52.9° | 60.0° |
| C4 | C3 | C2 | H2 | 64.3° | 60.0° |
| C3 | C4 | C5 | H5 | 63.9° | 60.0° |
| C4 | C3 | O9 | HO9 | 180.0° | 180.0° |
| C3 | C4 | O10 | HO10 | 180.0° | 60.0° |
| C4 | C5 | C6 | C7 | 128.3° | 120.0° |
| C4 | C5 | C6 | H5 | 115.6° | 120.0° |
| C5 | C4 | C3 | C2 | 51.5° | 60.0° |
| C4 | C5 | C7 | H5 | 115.1° | 119.9° |
| C4 | C5 | C7 | N12 | 71.2° | 60.1° |
| C4 | C5 | C7 | C1 | 52.9° | 59.9° |
| C5 | C4 | C3 | H3 | 68.6° | 60.0° |
| C4 | C5 | C6 | H61 | 58.6° | 55.0° |
| C4 | C5 | C6 | H6 | 176.6° | 175.0° |
| C4 | C5 | C7 | H7 | 170.2° | 180.0° |
| C5 | C4 | O10 | HO10 | 56.9° | 180.0° |
| C6 | C5 | C7 | H5 | 116.1° | 120.0° |
| C6 | C5 | C7 | N12 | 57.6° | 60.0° |
| C6 | C5 | C7 | C1 | 178.3° | 180.0° |
| C6 | C5 | C4 | H4 | 59.0° | 60.0° |
| C5 | C6 | H61 | H6 | 116.9° | 120.0° |
| C6 | C5 | C7 | H7 | 61.0° | 60.0° |
| C5 | C6 | O11 | HO11 | 180.0° | 180.0° |
| C3 | C2 | O8 | C1 | 123.9° | 120.0° |
| C3 | C2 | O8 | H2 | 116.9° | 120.0° |
| C3 | C2 | C1 | H2 | 117.3° | 120.0° |
| C3 | C2 | C1 | C7 | 55.9° | 60.0° |
| C3 | C2 | C1 | O1 | 65.7° | 60.0° |
| C3 | C2 | C1 | H11 | 174.3° | 179.9° |
| C2 | C3 | C4 | H4 | 70.1° | 60.0° |
| C3 | C2 | O8 | HO8 | 180.0° | 60.0° |
| C2 | C3 | O9 | HO9 | 57.5° | 60.0° |
| C5 | C7 | C1 | C2 | 56.0° | 60.0° |
| C5 | C7 | N12 | C1 | 124.6° | 120.0° |
| C5 | C7 | N12 | H7 | 118.3° | 120.0° |
| C5 | C7 | C1 | H7 | 117.3° | 120.0° |
| C5 | C7 | C1 | O1 | 67.3° | 60.0° |
| C5 | C7 | C1 | H11 | 174.4° | 180.0° |
| C7 | C5 | C4 | H4 | 70.5° | 60.1° |
| C7 | C5 | C6 | H61 | 173.1° | 65.0° |
| C7 | C5 | C6 | H6 | 55.1° | 55.0° |
| C5 | C7 | N12 | HN11 | 180.0° | 60.0° |
| C5 | C7 | N12 | HN13 | 60.0° | 180.0° |
| C5 | C7 | N12 | HN12 | 60.0° | 60.0° |
| O8 | C2 | C1 | H2 | 119.9° | 120.0° |
| O8 | C2 | C1 | C7 | 178.6° | 180.0° |
| O8 | C2 | C1 | O1 | 57.1° | 60.0° |
| O8 | C2 | C1 | H11 | 62.9° | 60.0° |
| O8 | C2 | C3 | H3 | 58.1° | 60.0° |
| C2 | C1 | C7 | N12 | 69.3° | 60.0° |
| C2 | C1 | C7 | O1 | 123.3° | 120.0° |
| C2 | C1 | C7 | H11 | 118.4° | 120.0° |
| C2 | C1 | O1 | H11 | 119.2° | 120.0° |
| C1 | C2 | C3 | H3 | 67.1° | 60.0° |
| C2 | C1 | C7 | H7 | 173.3° | 180.0° |
| C1 | C2 | O8 | HO8 | 56.1° | 180.0° |
| C2 | C1 | O1 | H1 | 180.0° | 59.9° |
| N12 | C7 | C1 | H7 | 117.4° | 120.0° |
| N12 | C7 | C1 | O1 | 167.4° | 180.0° |
| N12 | C7 | C1 | H11 | 49.1° | 60.1° |
| N12 | C7 | C5 | H5 | 173.7° | 180.0° |
| C7 | N12 | HN11 | HN13 | 120.0° | 120.0° |
| C7 | N12 | HN11 | HN12 | 120.0° | 120.1° |
| C7 | N12 | HN13 | HN12 | 120.0° | 120.1° |
| C7 | C1 | O1 | H11 | 117.5° | 120.0° |
| C7 | C1 | C2 | H2 | 61.5° | 60.0° |
| C1 | C7 | C5 | H5 | 62.2° | 60.0° |
| C1 | C7 | N12 | HN11 | 55.4° | 60.0° |
| C1 | C7 | N12 | HN13 | 175.4° | 60.0° |
| C7 | C1 | O1 | H1 | 56.7° | 180.0° |
| C1 | C7 | N12 | HN12 | 64.6° | 180.0° |
| O1 | C1 | C2 | H2 | 177.0° | 180.0° |
| O1 | C1 | C7 | H7 | 50.0° | 60.0° |
| H11 | C1 | C2 | H2 | 57.0° | 60.1° |
| H11 | C1 | C7 | H7 | 68.3° | 60.0° |
| H11 | C1 | O1 | H1 | 60.8° | 60.0° |
| H2 | C2 | C3 | H3 | 175.6° | 180.0° |
| H2 | C2 | O8 | HO8 | 63.1° | 60.0° |
| H3 | C3 | C4 | H4 | 169.8° | 180.0° |
| H3 | C3 | O9 | HO9 | 61.9° | 60.1° |
| H4 | C4 | C5 | H5 | 174.5° | 180.0° |
| H4 | C4 | O10 | HO10 | 61.9° | 60.0° |
| H5 | C5 | C6 | H61 | 57.0° | 175.0° |
| H5 | C5 | C6 | H6 | 61.0° | 65.0° |
| H5 | C5 | C7 | H7 | 55.1° | 60.0° |
| H61 | C6 | O11 | HO11 | 59.0° | 60.0° |
| H6 | C6 | O11 | HO11 | 59.0° | 60.0° |
| H7 | C7 | N12 | HN11 | 61.7° | 180.0° |
| H7 | C7 | N12 | HN13 | 58.3° | 60.0° |
| H7 | C7 | N12 | HN12 | 178.3° | 60.0° |
| HN11 | N12 | HN13 | HN12 | 120.0° | 119.9° |
