XXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C11 | sing | 1.43Å | 1.45Å | |
| O5 | C10 | sing | 1.43Å | 1.45Å | |
| O7 | C13 | sing | 1.43Å | 1.46Å | |
| C10 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C11 | C13 | 106.6° | 109.5° |
| C11 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C11 | H11 | 110.5° | 109.5° |
| O1 | C11 | H11A | 110.4° | 109.5° |
| O5 | C10 | C15 | 107.1° | 109.5° |
| C10 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C10 | H10 | 110.2° | 109.5° |
| O5 | C10 | H10A | 110.2° | 109.5° |
| O7 | C13 | C11 | 111.3° | 109.5° |
| O7 | C13 | C14 | 110.5° | 109.4° |
| C13 | O7 | HO7 | 109.5° | 114.0° |
| O7 | C13 | H13 | 107.7° | 109.5° |
| C10 | C15 | C14 | 112.2° | 109.5° |
| C15 | C10 | H10 | 110.3° | 109.5° |
| C15 | C10 | H10A | 110.3° | 109.5° |
| C10 | C15 | H15 | 108.6° | 109.5° |
| C10 | C15 | H15A | 108.6° | 109.4° |
| C11 | C13 | C14 | 110.1° | 109.5° |
| C13 | C11 | H11 | 110.4° | 109.5° |
| C13 | C11 | H11A | 110.4° | 109.5° |
| C11 | C13 | H13 | 108.1° | 109.5° |
| C13 | C14 | C15 | 109.8° | 109.4° |
| C14 | C13 | H13 | 109.0° | 109.5° |
| C13 | C14 | H14 | 109.3° | 109.5° |
| C13 | C14 | H14A | 109.4° | 109.5° |
| C15 | C14 | H14 | 109.4° | 109.5° |
| C15 | C14 | H14A | 109.3° | 109.5° |
| C14 | C15 | H15 | 108.6° | 109.5° |
| C14 | C15 | H15A | 108.6° | 109.5° |
| H10 | C10 | H10A | 108.7° | 109.5° |
| H11 | C11 | H11A | 108.4° | 109.5° |
| H14 | C14 | H14A | 109.6° | 109.5° |
| H15 | C15 | H15A | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C11 | C13 | O7 | 117.8° | 65.0° |
| O1 | C11 | C13 | H11 | 120.0° | 120.0° |
| O1 | C11 | C13 | H11A | 120.0° | 120.0° |
| O1 | C11 | C13 | C14 | 119.3° | 175.0° |
| O1 | C11 | H11 | H11A | 121.1° | 120.0° |
| O1 | C11 | C13 | H13 | 0.4° | 55.0° |
| O5 | C10 | C15 | H10 | 120.0° | 120.0° |
| O5 | C10 | C15 | H10A | 120.0° | 120.0° |
| O5 | C10 | C15 | C14 | 101.9° | 180.0° |
| O5 | C10 | H10 | H10A | 120.9° | 120.0° |
| O5 | C10 | C15 | H15 | 18.1° | 60.0° |
| O5 | C10 | C15 | H15A | 138.1° | 60.0° |
| O7 | C13 | C11 | C14 | 122.9° | 120.0° |
| O7 | C13 | C11 | H13 | 118.1° | 120.1° |
| O7 | C13 | C14 | H13 | 118.2° | 120.0° |
| O7 | C13 | C14 | C15 | 127.7° | 65.0° |
| O7 | C13 | C11 | H11 | 2.3° | 54.9° |
| O7 | C13 | C11 | H11A | 122.2° | 175.0° |
| O7 | C13 | C14 | H14 | 7.7° | 55.0° |
| O7 | C13 | C14 | H14A | 112.3° | 175.0° |
| C10 | C15 | C14 | C13 | 130.0° | 180.0° |
| C10 | C15 | C14 | H15 | 120.0° | 120.0° |
| C10 | C15 | C14 | H15A | 120.0° | 119.9° |
| C15 | C10 | O5 | HO5 | 180.0° | 180.0° |
| C15 | C10 | H10 | H10A | 121.0° | 120.0° |
| C10 | C15 | C14 | H14 | 10.0° | 60.0° |
| C10 | C15 | C14 | H14A | 110.0° | 60.0° |
| C10 | C15 | H15 | H15A | 118.9° | 119.9° |
| C11 | C13 | C14 | H13 | 118.4° | 120.0° |
| C11 | C13 | C14 | C15 | 109.0° | 175.0° |
| C13 | C11 | O1 | HO1 | 180.0° | 180.0° |
| C11 | C13 | O7 | HO7 | 180.0° | 60.0° |
| C13 | C11 | H11 | H11A | 121.1° | 120.0° |
| C11 | C13 | C14 | H14 | 131.0° | 65.0° |
| C11 | C13 | C14 | H14A | 11.0° | 55.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C14 | C13 | O7 | HO7 | 57.4° | 60.0° |
| C14 | C13 | C11 | H11 | 120.6° | 65.0° |
| C14 | C13 | C11 | H11A | 0.7° | 55.0° |
| C13 | C14 | H14 | H14A | 119.9° | 120.0° |
| C13 | C14 | C15 | H15 | 10.0° | 60.0° |
| C13 | C14 | C15 | H15A | 110.0° | 60.1° |
| C14 | C15 | C10 | H10 | 138.1° | 60.0° |
| C14 | C15 | C10 | H10A | 18.1° | 60.0° |
| C15 | C14 | C13 | H13 | 9.5° | 55.0° |
| C15 | C14 | H14 | H14A | 119.8° | 120.0° |
| C14 | C15 | H15 | H15A | 118.8° | 120.1° |
| HO1 | O1 | C11 | H11 | 60.0° | 60.0° |
| HO1 | O1 | C11 | H11A | 60.0° | 60.0° |
| HO5 | O5 | C10 | H10 | 60.0° | 60.0° |
| HO5 | O5 | C10 | H10A | 60.0° | 60.0° |
| HO7 | O7 | C13 | H13 | 61.6° | 180.0° |
| H10 | C10 | C15 | H15 | 101.9° | 180.0° |
| H10 | C10 | C15 | H15A | 18.1° | 60.0° |
| H10A | C10 | C15 | H15 | 138.1° | 60.0° |
| H10A | C10 | C15 | H15A | 101.9° | 180.0° |
| H11 | C11 | C13 | H13 | 120.4° | 175.0° |
| H11A | C11 | C13 | H13 | 119.7° | 65.0° |
| H13 | C13 | C14 | H14 | 110.5° | 175.0° |
| H13 | C13 | C14 | H14A | 129.5° | 65.0° |
| H14 | C14 | C15 | H15 | 110.0° | 60.0° |
| H14 | C14 | C15 | H15A | 130.0° | 180.0° |
| H14A | C14 | C15 | H15 | 130.0° | 180.0° |
| H14A | C14 | C15 | H15A | 10.0° | 59.9° |
