U9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.66Å | |
| C4 | C3 | sing | 1.53Å | 1.67Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.60Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| C6 | O6 | sing | 1.43Å | 1.29Å | |
| C6 | O6B | sing | 1.43Å | 1.30Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O6B | H45 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.60Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | C3M | sing | 1.43Å | 1.49Å | |
| C3M | H481 | sing | 1.09Å | 1.10Å | |
| C3M | H482 | sing | 1.09Å | 1.10Å | |
| C3M | H483 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | C2M | sing | 1.43Å | 1.45Å | |
| C2M | H4B1 | sing | 1.09Å | 1.10Å | |
| C2M | H4B2 | sing | 1.09Å | 1.10Å | |
| C2M | H4B3 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | 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 | 110.8° | 109.5° |
| O4 | C4 | C3 | 112.0° | 109.5° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | C3 | 107.6° | 109.2° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C4 | C5 | O5 | 110.4° | 109.4° |
| C4 | C5 | C6 | 114.3° | 109.5° |
| C4 | C5 | H5 | 107.2° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.6° |
| C4 | C3 | O3 | 114.2° | 109.5° |
| C4 | C3 | C2 | 106.6° | 109.0° |
| C4 | C3 | H3 | 107.4° | 109.5° |
| O5 | C5 | C6 | 107.2° | 109.5° |
| O5 | C5 | H5 | 109.9° | 109.4° |
| C5 | O5 | C1 | 115.4° | 114.1° |
| C6 | C5 | H5 | 107.8° | 109.5° |
| C5 | C6 | O6 | 120.8° | 109.4° |
| C5 | C6 | O6B | 121.0° | 109.5° |
| C5 | C6 | H61 | 90.1° | 109.5° |
| O5 | C1 | C2 | 116.0° | 109.4° |
| O5 | C1 | O1 | 109.9° | 109.5° |
| O5 | C1 | H1 | 108.1° | 109.5° |
| O6 | C6 | O6B | 118.3° | 109.5° |
| O6 | C6 | H61 | 90.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O6B | C6 | H61 | 90.2° | 109.5° |
| C6 | O6B | H45 | 109.5° | 114.0° |
| O3 | C3 | C2 | 111.0° | 109.5° |
| O3 | C3 | H3 | 109.3° | 109.6° |
| C3 | O3 | C3M | 122.7° | 113.9° |
| C2 | C3 | H3 | 108.1° | 109.6° |
| C3 | C2 | O2 | 112.0° | 109.5° |
| C3 | C2 | C1 | 108.8° | 109.2° |
| C3 | C2 | H2 | 107.1° | 109.5° |
| O3 | C3M | H481 | 109.5° | 109.4° |
| O3 | C3M | H482 | 109.5° | 109.5° |
| O3 | C3M | H483 | 109.5° | 109.5° |
| H481 | C3M | H482 | 109.5° | 109.4° |
| H481 | C3M | H483 | 109.5° | 109.5° |
| H482 | C3M | H483 | 109.5° | 109.5° |
| O2 | C2 | C1 | 111.6° | 109.5° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | O2 | C2M | 110.3° | 114.0° |
| C1 | C2 | H2 | 107.6° | 109.6° |
| C2 | C1 | O1 | 107.6° | 109.5° |
| C2 | C1 | H1 | 106.4° | 109.5° |
| O2 | C2M | H4B1 | 109.5° | 109.5° |
| O2 | C2M | H4B2 | 109.5° | 109.5° |
| O2 | C2M | H4B3 | 109.4° | 109.4° |
| H4B1 | C2M | H4B2 | 109.5° | 109.5° |
| H4B1 | C2M | H4B3 | 109.5° | 109.5° |
| H4B2 | C2M | H4B3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 108.6° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C3 | 122.7° | 119.9° |
| O4 | C4 | C5 | H4 | 120.8° | 120.1° |
| O4 | C4 | C3 | H4 | 121.5° | 120.2° |
| O4 | C4 | C5 | O5 | 179.5° | 177.5° |
| O4 | C4 | C5 | C6 | 59.6° | 62.5° |
| O4 | C4 | C5 | H5 | 59.9° | 57.6° |
| O4 | C4 | C3 | O3 | 57.8° | 63.3° |
| O4 | C4 | C3 | C2 | 179.2° | 176.9° |
| O4 | C4 | C3 | H3 | 63.6° | 56.9° |
| C5 | C4 | C3 | H4 | 116.6° | 119.9° |
| C4 | C5 | O5 | C6 | 125.1° | 120.0° |
| C4 | C5 | O5 | H5 | 118.0° | 120.0° |
| C4 | C5 | C6 | H5 | 119.1° | 120.0° |
| C4 | C5 | O5 | C1 | 56.2° | 61.1° |
| C4 | C5 | C6 | O6 | 60.2° | 64.5° |
| C4 | C5 | C6 | O6B | 120.3° | 175.5° |
| C4 | C5 | C6 | H61 | 30.0° | 55.5° |
| C5 | C4 | C3 | O3 | 179.8° | 176.8° |
| C5 | C4 | C3 | C2 | 57.3° | 57.0° |
| C5 | C4 | C3 | H3 | 58.4° | 63.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 66.0° |
| C3 | C4 | C5 | O5 | 56.8° | 57.6° |
| C3 | C4 | C5 | C6 | 177.7° | 177.6° |
| C3 | C4 | C5 | H5 | 62.8° | 62.3° |
| C4 | C3 | O3 | C2 | 120.5° | 119.5° |
| C4 | C3 | O3 | H3 | 120.3° | 120.2° |
| C4 | C3 | C2 | H3 | 115.2° | 119.9° |
| C4 | C3 | O3 | C3M | 75.2° | 150.0° |
| C4 | C3 | C2 | O2 | 179.7° | 176.9° |
| C4 | C3 | C2 | C1 | 55.9° | 57.0° |
| C4 | C3 | C2 | H2 | 60.1° | 63.0° |
| C3 | C4 | O4 | HO4 | 59.9° | 174.3° |
| H4 | C4 | C5 | O5 | 59.7° | 62.4° |
| H4 | C4 | C5 | C6 | 61.2° | 57.7° |
| H4 | C4 | C5 | H5 | 179.4° | 177.7° |
| H4 | C4 | C3 | O3 | 63.6° | 56.9° |
| H4 | C4 | C3 | C2 | 59.3° | 62.9° |
| H4 | C4 | C3 | H3 | 175.0° | 177.1° |
| H4 | C4 | O4 | HO4 | 60.3° | 54.1° |
| O5 | C5 | C6 | H5 | 118.3° | 120.0° |
| O5 | C5 | C6 | O6 | 62.5° | 55.5° |
| O5 | C5 | C6 | O6B | 117.1° | 64.5° |
| O5 | C5 | C6 | H61 | 152.7° | 175.5° |
| C5 | O5 | C1 | C2 | 57.2° | 61.1° |
| C5 | O5 | C1 | O1 | 179.5° | 178.9° |
| C5 | O5 | C1 | H1 | 62.1° | 58.9° |
| C6 | C5 | O5 | C1 | 178.7° | 178.8° |
| C5 | C6 | O6 | O6B | 179.6° | 120.0° |
| C5 | C6 | O6 | H61 | 90.2° | 120.0° |
| C5 | C6 | O6B | H61 | 90.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 60.0° |
| C5 | C6 | O6B | H45 | 180.0° | 180.0° |
| H5 | C5 | O5 | C1 | 61.8° | 58.8° |
| H5 | C5 | C6 | O6 | 179.3° | 175.5° |
| H5 | C5 | C6 | O6B | 1.2° | 55.5° |
| H5 | C5 | C6 | H61 | 89.1° | 64.6° |
| O5 | C1 | C2 | C3 | 56.3° | 57.6° |
| O5 | C1 | C2 | O2 | 179.6° | 177.5° |
| O5 | C1 | C2 | O1 | 123.5° | 120.0° |
| O5 | C1 | C2 | H1 | 120.3° | 120.0° |
| O5 | C1 | C2 | H2 | 59.4° | 62.3° |
| O5 | C1 | O1 | H1 | 118.1° | 120.0° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O6 | C6 | O6B | H61 | 90.2° | 120.0° |
| O6 | C6 | O6B | H45 | 0.4° | 60.0° |
| O6B | C6 | O6 | HO6 | 0.4° | 60.0° |
| H61 | C6 | O6 | HO6 | 89.8° | 180.0° |
| H61 | C6 | O6B | H45 | 89.8° | 60.0° |
| O3 | C3 | C2 | H3 | 119.9° | 120.3° |
| C3 | O3 | C3M | H481 | 180.0° | 180.0° |
| C3 | O3 | C3M | H482 | 60.0° | 60.0° |
| C3 | O3 | C3M | H483 | 60.0° | 60.0° |
| O3 | C3 | C2 | O2 | 55.3° | 63.3° |
| O3 | C3 | C2 | C1 | 179.1° | 176.8° |
| O3 | C3 | C2 | H2 | 64.9° | 56.9° |
| C2 | C3 | O3 | C3M | 45.3° | 90.5° |
| C3 | C2 | O2 | C1 | 122.2° | 119.7° |
| C3 | C2 | O2 | H2 | 118.7° | 120.1° |
| C3 | C2 | C1 | H2 | 115.7° | 120.0° |
| C3 | C2 | O2 | C2M | 134.9° | 150.0° |
| C3 | C2 | C1 | O1 | 179.9° | 177.6° |
| C3 | C2 | C1 | H1 | 63.9° | 62.4° |
| H3 | C3 | O3 | C3M | 164.5° | 29.8° |
| H3 | C3 | C2 | O2 | 64.6° | 57.0° |
| H3 | C3 | C2 | C1 | 59.3° | 62.9° |
| H3 | C3 | C2 | H2 | 175.2° | 177.1° |
| O3 | C3M | H481 | H482 | 120.0° | 119.9° |
| O3 | C3M | H481 | H483 | 120.0° | 120.0° |
| O3 | C3M | H482 | H483 | 120.0° | 120.0° |
| H481 | C3M | H482 | H483 | 120.0° | 120.0° |
| O2 | C2 | C1 | H2 | 120.3° | 120.1° |
| C2 | O2 | C2M | H4B1 | 180.0° | 60.1° |
| C2 | O2 | C2M | H4B2 | 60.0° | 60.0° |
| C2 | O2 | C2M | H4B3 | 60.0° | 180.0° |
| O2 | C2 | C1 | O1 | 56.1° | 62.5° |
| O2 | C2 | C1 | H1 | 60.1° | 57.5° |
| C1 | C2 | O2 | C2M | 102.9° | 90.3° |
| C2 | C1 | O1 | H1 | 114.8° | 120.0° |
| C2 | C1 | O1 | HO1 | 52.9° | 179.9° |
| H2 | C2 | O2 | C2M | 16.2° | 29.8° |
| H2 | C2 | C1 | O1 | 64.2° | 57.6° |
| H2 | C2 | C1 | H1 | 179.6° | 177.7° |
| O2 | C2M | H4B1 | H4B2 | 120.0° | 120.0° |
| O2 | C2M | H4B1 | H4B3 | 120.0° | 119.9° |
| O2 | C2M | H4B2 | H4B3 | 120.0° | 119.9° |
| H4B1 | C2M | H4B2 | H4B3 | 120.0° | 120.0° |
| H1 | C1 | O1 | HO1 | 61.9° | 60.0° |
