9D2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C4 | O1 | sing | 1.43Å | 1.43Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O | C3 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| O | H8 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C5 | C2 | 111.6° | 109.5° |
| O2 | C5 | H3 | 108.9° | 109.5° |
| O2 | C5 | H4 | 109.0° | 109.5° |
| C5 | O2 | H14 | 109.5° | 114.0° |
| O1 | C4 | C2 | 113.8° | 109.5° |
| O1 | C4 | H1 | 108.4° | 109.5° |
| O1 | C4 | H2 | 108.4° | 109.4° |
| C4 | O1 | H13 | 109.5° | 114.0° |
| C4 | C2 | C1 | 106.8° | 109.5° |
| C4 | C2 | C5 | 110.8° | 109.5° |
| C4 | C2 | C3 | 111.6° | 109.5° |
| C2 | C4 | H1 | 108.4° | 109.5° |
| C2 | C4 | H2 | 108.4° | 109.5° |
| C | C1 | C2 | 114.9° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.5° | 109.5° |
| C | C1 | H9 | 108.1° | 109.5° |
| C | C1 | H10 | 108.1° | 109.5° |
| C1 | C2 | C5 | 109.2° | 109.5° |
| C1 | C2 | C3 | 110.2° | 109.5° |
| C2 | C1 | H9 | 108.1° | 109.4° |
| C2 | C1 | H10 | 108.1° | 109.5° |
| C5 | C2 | C3 | 108.3° | 109.5° |
| C2 | C5 | H3 | 108.9° | 109.4° |
| C2 | C5 | H4 | 108.9° | 109.5° |
| C2 | C3 | O | 113.0° | 109.4° |
| C2 | C3 | H11 | 108.6° | 109.5° |
| C2 | C3 | H12 | 108.6° | 109.5° |
| C3 | O | H8 | 109.5° | 114.0° |
| O | C3 | H11 | 108.6° | 109.5° |
| O | C3 | H12 | 108.6° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C | H6 | 109.4° | 109.4° |
| H5 | C | H7 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C5 | C2 | C4 | 62.1° | 180.0° |
| O2 | C5 | C2 | C1 | 55.3° | 60.0° |
| O2 | C5 | C2 | H3 | 120.3° | 120.0° |
| O2 | C5 | C2 | H4 | 120.3° | 120.0° |
| O2 | C5 | C2 | C3 | 175.2° | 60.0° |
| O2 | C5 | H3 | H4 | 119.1° | 120.0° |
| O1 | C4 | C2 | H1 | 120.6° | 120.0° |
| O1 | C4 | C2 | H2 | 120.6° | 119.9° |
| O1 | C4 | C2 | C1 | 171.3° | 60.0° |
| O1 | C4 | C2 | C5 | 70.0° | 180.0° |
| O1 | C4 | C2 | C3 | 50.8° | 60.0° |
| O1 | C4 | H1 | H2 | 118.0° | 120.0° |
| C4 | C2 | C1 | C | 174.6° | 60.0° |
| C4 | C2 | C1 | C5 | 119.9° | 120.0° |
| C4 | C2 | C1 | C3 | 121.4° | 120.0° |
| C4 | C2 | C5 | C3 | 122.7° | 120.0° |
| C4 | C2 | C3 | O | 58.2° | 60.0° |
| C2 | C4 | H1 | H2 | 118.0° | 120.0° |
| C4 | C2 | C5 | H3 | 58.2° | 60.1° |
| C4 | C2 | C5 | H4 | 177.6° | 60.0° |
| C4 | C2 | C1 | H9 | 64.6° | 180.0° |
| C4 | C2 | C1 | H10 | 53.8° | 60.0° |
| C4 | C2 | C3 | H11 | 62.3° | 60.0° |
| C4 | C2 | C3 | H12 | 178.7° | 180.0° |
| C2 | C4 | O1 | H13 | 180.0° | 180.0° |
| C | C1 | C2 | H9 | 120.8° | 120.0° |
| C | C1 | C2 | H10 | 120.8° | 120.0° |
| C | C1 | C2 | C5 | 54.8° | 60.0° |
| C | C1 | C2 | C3 | 64.0° | NaN° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H7 | 120.0° | 120.0° |
| C | C1 | H9 | H10 | 117.5° | 120.0° |
| C1 | C2 | C5 | C3 | 119.9° | 120.0° |
| C1 | C2 | C3 | O | 60.3° | 180.0° |
| C1 | C2 | C4 | H1 | 68.1° | 60.0° |
| C1 | C2 | C4 | H2 | 50.6° | 180.0° |
| C1 | C2 | C5 | H3 | 175.6° | 180.0° |
| C1 | C2 | C5 | H4 | 65.1° | 60.0° |
| C2 | C1 | C | H5 | 180.0° | 60.0° |
| C2 | C1 | C | H6 | 60.0° | 60.0° |
| C2 | C1 | C | H7 | 60.0° | 180.0° |
| C2 | C1 | H9 | H10 | 117.5° | 120.0° |
| C1 | C2 | C3 | H11 | 179.2° | 60.0° |
| C1 | C2 | C3 | H12 | 60.3° | 60.0° |
| C5 | C2 | C3 | O | 179.6° | 60.0° |
| C5 | C2 | C4 | H1 | 50.7° | 60.0° |
| C5 | C2 | C4 | H2 | 169.4° | 60.1° |
| C2 | C5 | H3 | H4 | 119.0° | 120.0° |
| C5 | C2 | C1 | H9 | 175.6° | 60.0° |
| C5 | C2 | C1 | H10 | 66.0° | 180.0° |
| C5 | C2 | C3 | H11 | 59.9° | 180.0° |
| C5 | C2 | C3 | H12 | 59.0° | 60.0° |
| C2 | C5 | O2 | H14 | 180.0° | 179.9° |
| C2 | C3 | O | H11 | 120.5° | 120.0° |
| C2 | C3 | O | H12 | 120.5° | 120.0° |
| C3 | C2 | C4 | H1 | 171.4° | 180.0° |
| C3 | C2 | C4 | H2 | 69.8° | 60.0° |
| C3 | C2 | C5 | H3 | 64.5° | 60.0° |
| C3 | C2 | C5 | H4 | 54.9° | 180.0° |
| C2 | C3 | O | H8 | 180.0° | 180.0° |
| C3 | C2 | C1 | H9 | 56.8° | 60.0° |
| C3 | C2 | C1 | H10 | 175.2° | 60.0° |
| C2 | C3 | H11 | H12 | 118.4° | 120.0° |
| O | C3 | H11 | H12 | 118.4° | 120.0° |
| H1 | C4 | O1 | H13 | 59.4° | 60.0° |
| H2 | C4 | O1 | H13 | 59.3° | 60.0° |
| H3 | C5 | O2 | H14 | 59.7° | 60.0° |
| H4 | C5 | O2 | H14 | 59.7° | 60.0° |
| H5 | C | H6 | H7 | 120.0° | 120.0° |
| H5 | C | C1 | H9 | 59.2° | 60.0° |
| H5 | C | C1 | H10 | 59.2° | 180.0° |
| H6 | C | C1 | H9 | 60.8° | 180.0° |
| H6 | C | C1 | H10 | 179.2° | 60.0° |
| H7 | C | C1 | H9 | 179.2° | 60.0° |
| H7 | C | C1 | H10 | 60.8° | 60.0° |
| H8 | O | C3 | H11 | 59.5° | 60.0° |
| H8 | O | C3 | H12 | 59.5° | 60.0° |
