HWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C3 | sing | 1.43Å | 1.40Å | |
| O14 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.48Å | |
| O9 | C14 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| O6 | C20 | doub | 1.21Å | 1.41Å | |
| C14 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C5 | O13 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C20 | C15 | sing | 1.47Å | 1.54Å | |
| C20 | C19 | sing | 1.52Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | O1 | sing | 1.43Å | 1.50Å | |
| C13 | C12 | sing | 1.39Å | 1.47Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.45Å | Aromatic |
| C6 | O2 | sing | 1.43Å | 1.35Å | |
| C6 | O1 | sing | 1.43Å | 1.52Å | |
| C19 | C18 | sing | 1.54Å | 1.51Å | |
| O2 | C7 | sing | 1.43Å | 1.45Å | |
| C12 | O4 | sing | 1.36Å | 1.45Å | |
| C12 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | O5 | sing | 1.35Å | 1.43Å | |
| O4 | C11 | sing | 1.43Å | 1.37Å | |
| C18 | O5 | sing | 1.43Å | 1.40Å | |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| O12 | C8 | sing | 1.43Å | 1.48Å | |
| C7 | C11 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C21 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | O3 | sing | 1.43Å | 1.49Å | |
| C26 | C25 | sing | 1.39Å | 1.36Å | Aromatic |
| O3 | C10 | sing | 1.43Å | 1.46Å | |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| O11 | C9 | sing | 1.43Å | 1.43Å | |
| C25 | O7 | sing | 1.36Å | 1.38Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C24 | O8 | sing | 1.36Å | 1.43Å | |
| C10 | C28 | sing | 1.53Å | 1.50Å | |
| C28 | O10 | sing | 1.43Å | 1.40Å | |
| O8 | C27 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| O10 | H28 | sing | 0.97Å | 0.95Å | |
| O11 | H29 | sing | 0.97Å | 0.95Å | |
| O12 | H30 | sing | 0.97Å | 0.95Å | |
| O13 | H31 | sing | 0.97Å | 0.95Å | |
| O14 | H32 | sing | 0.97Å | 0.95Å | |
| O15 | H33 | sing | 0.97Å | 0.95Å | |
| O7 | H35 | sing | 0.97Å | 0.95Å | |
| O9 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C3 | C4 | 108.7° | 109.6° |
| O15 | C3 | C2 | 109.2° | 109.5° |
| O15 | C3 | H5 | 109.7° | 109.5° |
| C3 | O15 | H33 | 109.5° | 114.0° |
| O14 | C4 | C3 | 112.9° | 109.5° |
| O14 | C4 | C5 | 109.3° | 109.5° |
| O14 | C4 | H6 | 108.3° | 109.6° |
| C4 | O14 | H32 | 109.5° | 114.0° |
| C3 | C4 | C5 | 111.3° | 109.0° |
| C4 | C3 | C2 | 113.7° | 109.1° |
| C4 | C3 | H5 | 107.9° | 109.5° |
| C3 | C4 | H6 | 107.0° | 109.6° |
| C4 | C5 | O13 | 106.6° | 109.5° |
| C4 | C5 | C6 | 100.5° | 109.2° |
| C5 | C4 | H6 | 107.7° | 109.5° |
| C4 | C5 | H7 | 112.2° | 109.5° |
| O9 | C14 | C13 | 118.5° | 120.3° |
| O9 | C14 | C15 | 122.5° | 120.2° |
| C14 | O9 | H36 | 109.5° | 114.0° |
| C3 | C2 | C1 | 113.2° | 109.4° |
| C3 | C2 | O1 | 111.4° | 109.4° |
| C3 | C2 | H4 | 105.8° | 109.5° |
| C2 | C3 | H5 | 107.6° | 109.5° |
| O6 | C20 | C15 | 112.7° | 121.7° |
| O6 | C20 | C19 | 119.0° | 121.7° |
| C13 | C14 | C15 | 119.0° | 119.5° |
| C14 | C13 | C12 | 119.6° | 120.1° |
| C14 | C13 | H12 | 120.2° | 120.0° |
| C14 | C15 | C20 | 122.1° | 120.7° |
| C14 | C15 | C16 | 120.3° | 120.3° |
| O13 | C5 | C6 | 112.8° | 109.5° |
| O13 | C5 | H7 | 112.8° | 109.5° |
| C5 | O13 | H31 | 109.5° | 114.1° |
| C5 | C6 | O2 | 118.8° | 109.5° |
| C5 | C6 | O1 | 109.8° | 109.4° |
| C6 | C5 | H7 | 111.3° | 109.5° |
| C5 | C6 | H8 | 99.8° | 109.5° |
| C15 | C20 | C19 | 116.2° | 116.6° |
| C20 | C15 | C16 | 117.3° | 119.1° |
| C20 | C19 | C18 | 112.1° | 107.2° |
| C20 | C19 | H15 | 108.8° | 109.9° |
| C20 | C19 | H16 | 108.8° | 109.9° |
| C1 | C2 | O1 | 113.0° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 106.4° | 109.5° |
| C2 | O1 | C6 | 94.5° | 114.1° |
| O1 | C2 | H4 | 106.5° | 109.5° |
| C13 | C12 | O4 | 114.9° | 119.6° |
| C13 | C12 | C17 | 121.6° | 120.7° |
| C12 | C13 | H12 | 120.2° | 120.0° |
| C15 | C16 | C17 | 121.1° | 119.3° |
| C15 | C16 | O5 | 122.0° | 120.8° |
| O2 | C6 | O1 | 121.9° | 109.5° |
| C6 | O2 | C7 | 115.3° | 114.0° |
| O2 | C6 | H8 | 101.2° | 109.5° |
| O1 | C6 | H8 | 100.0° | 109.5° |
| C19 | C18 | O5 | 122.4° | 109.3° |
| C19 | C18 | C21 | 122.3° | 109.5° |
| C19 | C18 | H14 | 94.8° | 109.5° |
| C18 | C19 | H15 | 108.8° | 110.0° |
| C18 | C19 | H16 | 108.8° | 109.9° |
| O2 | C7 | C11 | 112.1° | 109.5° |
| O2 | C7 | C8 | 107.0° | 109.5° |
| O2 | C7 | H9 | 106.6° | 109.5° |
| O4 | C12 | C17 | 123.5° | 119.7° |
| C12 | O4 | C11 | 128.0° | 117.0° |
| C12 | C17 | C16 | 118.4° | 120.2° |
| C12 | C17 | H13 | 120.8° | 119.9° |
| C17 | C16 | O5 | 116.9° | 119.9° |
| C16 | C17 | H13 | 120.8° | 119.9° |
| C16 | O5 | C18 | 118.5° | 118.7° |
| O4 | C11 | C7 | 108.8° | 109.4° |
| O4 | C11 | O3 | 116.1° | 109.5° |
| O4 | C11 | H11 | 107.8° | 109.5° |
| O5 | C18 | C21 | 113.1° | 109.5° |
| O5 | C18 | H14 | 95.2° | 109.5° |
| C18 | C21 | C26 | 116.5° | 120.0° |
| C18 | C21 | C22 | 120.8° | 119.9° |
| C21 | C18 | H14 | 94.7° | 109.5° |
| O12 | C8 | C7 | 111.2° | 109.5° |
| O12 | C8 | C9 | 111.8° | 109.6° |
| O12 | C8 | H26 | 104.3° | 109.6° |
| C8 | O12 | H30 | 109.5° | 114.0° |
| C11 | C7 | C8 | 118.9° | 109.2° |
| C7 | C11 | O3 | 111.7° | 109.4° |
| C11 | C7 | H9 | 105.4° | 109.6° |
| C7 | C11 | H11 | 105.6° | 109.5° |
| C7 | C8 | C9 | 119.9° | 109.1° |
| C8 | C7 | H9 | 105.9° | 109.6° |
| C7 | C8 | H26 | 104.0° | 109.5° |
| C26 | C21 | C22 | 122.7° | 120.1° |
| C21 | C26 | C25 | 117.7° | 120.0° |
| C21 | C26 | H20 | 121.2° | 119.9° |
| C21 | C22 | C23 | 118.9° | 120.2° |
| C21 | C22 | H18 | 120.6° | 119.9° |
| C11 | O3 | C10 | 111.9° | 114.1° |
| O3 | C11 | H11 | 106.3° | 109.5° |
| C26 | C25 | O7 | 119.6° | 120.1° |
| C26 | C25 | C24 | 120.3° | 119.8° |
| C25 | C26 | H20 | 121.1° | 120.0° |
| O3 | C10 | C9 | 113.0° | 109.4° |
| O3 | C10 | C28 | 113.0° | 109.5° |
| O3 | C10 | H10 | 106.3° | 109.5° |
| C22 | C23 | C24 | 118.9° | 120.0° |
| C23 | C22 | H18 | 120.6° | 119.9° |
| C22 | C23 | H19 | 120.5° | 120.0° |
| C8 | C9 | O11 | 114.9° | 109.5° |
| C8 | C9 | C10 | 112.6° | 109.2° |
| C9 | C8 | H26 | 103.8° | 109.5° |
| C8 | C9 | H27 | 103.9° | 109.5° |
| O11 | C9 | C10 | 115.0° | 109.5° |
| O11 | C9 | H27 | 105.0° | 109.6° |
| C9 | O11 | H29 | 109.5° | 114.0° |
| O7 | C25 | C24 | 120.1° | 120.1° |
| C25 | O7 | H35 | 109.5° | 114.0° |
| C25 | C24 | C23 | 121.5° | 119.9° |
| C25 | C24 | O8 | 119.5° | 120.1° |
| C23 | C24 | O8 | 119.0° | 120.0° |
| C24 | C23 | H19 | 120.5° | 120.0° |
| C9 | C10 | C28 | 112.6° | 109.5° |
| C9 | C10 | H10 | 105.3° | 109.5° |
| C10 | C9 | H27 | 103.8° | 109.5° |
| C24 | O8 | C27 | 113.2° | 117.0° |
| C10 | C28 | O10 | 109.1° | 109.4° |
| C28 | C10 | H10 | 105.9° | 109.5° |
| C10 | C28 | H24 | 109.6° | 109.4° |
| C10 | C28 | H25 | 109.6° | 109.5° |
| O10 | C28 | H24 | 109.6° | 109.5° |
| O10 | C28 | H25 | 109.6° | 109.5° |
| C28 | O10 | H28 | 109.5° | 114.0° |
| O8 | C27 | H21 | 109.5° | 109.5° |
| O8 | C27 | H22 | 109.5° | 109.5° |
| O8 | C27 | H23 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.9° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H21 | C27 | H23 | 109.5° | 109.4° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C3 | C4 | O14 | 69.4° | 63.2° |
| O15 | C3 | C4 | C2 | 121.8° | 119.9° |
| O15 | C3 | C4 | H5 | 118.9° | 120.2° |
| O15 | C3 | C4 | C5 | 167.2° | 176.9° |
| O15 | C3 | C2 | H5 | 119.0° | 120.1° |
| O15 | C3 | C2 | C1 | 58.6° | 62.5° |
| O15 | C3 | C2 | O1 | 172.7° | 177.6° |
| O15 | C3 | C2 | H4 | 57.5° | 57.6° |
| O15 | C3 | C4 | H6 | 49.7° | 57.1° |
| O14 | C4 | C3 | C5 | 123.4° | 119.8° |
| O14 | C4 | C3 | H6 | 119.1° | 120.3° |
| O14 | C4 | C5 | H6 | 117.5° | 120.3° |
| O14 | C4 | C3 | C2 | 168.8° | 176.8° |
| O14 | C4 | C5 | O13 | 62.3° | 56.9° |
| O14 | C4 | C5 | C6 | 179.9° | 176.8° |
| O14 | C4 | C3 | H5 | 49.5° | 56.9° |
| O14 | C4 | C5 | H7 | 61.6° | 63.2° |
| C3 | C4 | C5 | H6 | 117.1° | 119.9° |
| C4 | C3 | C2 | H5 | 119.5° | 119.9° |
| C3 | C4 | C5 | O13 | 63.1° | 62.9° |
| C3 | C4 | C5 | C6 | 54.6° | 57.0° |
| C4 | C3 | C2 | C1 | 179.8° | 177.6° |
| C4 | C3 | C2 | O1 | 51.2° | 57.6° |
| C4 | C3 | C2 | H4 | 64.1° | 62.4° |
| C3 | C4 | C5 | H7 | 173.0° | 176.9° |
| C3 | C4 | O14 | H32 | 180.0° | 179.9° |
| C4 | C3 | O15 | H33 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 45.4° | 57.0° |
| C4 | C5 | O13 | C6 | 109.3° | 119.7° |
| C4 | C5 | O13 | H7 | 123.6° | 120.2° |
| C4 | C5 | C6 | H7 | 119.0° | 119.9° |
| C4 | C5 | C6 | O2 | 131.7° | 177.6° |
| C4 | C5 | C6 | O1 | 81.3° | 57.6° |
| C5 | C4 | C3 | H5 | 73.9° | 62.9° |
| C4 | C5 | C6 | H8 | 23.1° | 62.4° |
| C4 | C5 | O13 | H31 | 180.0° | 180.0° |
| C5 | C4 | O14 | H32 | 55.5° | 60.5° |
| O9 | C14 | C13 | C15 | 179.0° | 180.0° |
| O9 | C14 | C15 | C20 | 5.0° | 0.6° |
| O9 | C14 | C13 | C12 | 179.9° | 179.9° |
| O9 | C14 | C15 | C16 | 179.2° | 179.6° |
| O9 | C14 | C13 | H12 | 0.1° | 0.0° |
| C3 | C2 | C1 | O1 | 127.8° | 119.9° |
| C3 | C2 | C1 | H4 | 115.7° | 120.0° |
| C3 | C2 | O1 | H4 | 114.8° | 120.0° |
| C3 | C2 | O1 | C6 | 63.1° | 61.2° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.1° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C2 | C3 | C4 | H6 | 72.1° | 62.9° |
| C2 | C3 | O15 | H33 | 55.5° | 60.0° |
| O6 | C20 | C15 | C14 | 18.1° | 12.2° |
| O6 | C20 | C15 | C19 | 142.2° | 179.9° |
| O6 | C20 | C15 | C16 | 167.5° | 167.6° |
| O6 | C20 | C19 | C18 | 178.0° | 139.8° |
| O6 | C20 | C19 | H15 | 57.6° | 20.3° |
| O6 | C20 | C19 | H16 | 61.6° | 100.8° |
| C13 | C14 | C15 | C20 | 176.1° | 179.4° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.9° | 0.4° |
| C14 | C13 | C12 | O4 | 179.2° | 179.9° |
| C14 | C13 | C12 | C17 | 0.1° | 0.2° |
| C13 | C14 | O9 | H36 | 174.7° | 90.0° |
| C14 | C15 | C20 | C16 | 174.4° | 179.8° |
| C14 | C15 | C20 | C19 | 160.3° | 167.9° |
| C15 | C14 | C13 | C12 | 0.9° | 0.2° |
| C14 | C15 | C16 | C17 | 2.1° | 0.7° |
| C14 | C15 | C16 | O5 | 179.5° | 179.2° |
| C15 | C14 | C13 | H12 | 179.1° | 179.9° |
| C15 | C14 | O9 | H36 | 4.3° | 90.0° |
| O13 | C5 | C6 | H7 | 127.9° | 120.2° |
| O13 | C5 | C6 | O2 | 115.2° | 57.7° |
| O13 | C5 | C6 | O1 | 31.7° | 62.3° |
| O13 | C5 | C4 | H6 | 179.8° | 177.2° |
| O13 | C5 | C6 | H8 | 136.1° | 177.7° |
| C5 | C6 | O1 | C2 | 83.4° | 61.2° |
| C5 | C6 | O2 | O1 | 142.8° | 119.9° |
| C5 | C6 | O2 | H8 | 107.9° | 120.0° |
| C5 | C6 | O1 | H8 | 104.3° | 120.0° |
| C5 | C6 | O2 | C7 | 123.6° | 170.0° |
| C6 | C5 | C4 | H6 | 62.4° | 62.9° |
| C6 | C5 | O13 | H31 | 70.7° | 60.3° |
| C15 | C20 | C19 | C18 | 38.3° | 40.2° |
| C20 | C15 | C16 | C17 | 176.7° | 179.1° |
| C20 | C15 | C16 | O5 | 5.0° | 1.0° |
| C15 | C20 | C19 | H15 | 82.1° | 159.7° |
| C15 | C20 | C19 | H16 | 158.7° | 79.3° |
| C19 | C20 | C15 | C16 | 25.3° | 12.3° |
| C20 | C19 | C18 | H15 | 120.4° | 119.5° |
| C20 | C19 | C18 | H16 | 120.4° | 119.4° |
| C20 | C19 | C18 | O5 | 35.5° | 58.6° |
| C20 | C19 | C18 | C21 | 162.5° | 178.6° |
| C20 | C19 | C18 | H14 | 63.8° | 61.4° |
| C20 | C19 | H15 | H16 | 118.8° | 121.1° |
| C1 | C2 | O1 | H4 | 116.4° | 120.1° |
| C1 | C2 | O1 | C6 | 168.2° | 178.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 60.4° | 57.7° |
| C2 | O1 | C6 | O2 | 130.8° | 178.9° |
| O1 | C2 | C1 | H1 | 52.2° | 60.0° |
| O1 | C2 | C1 | H2 | 67.8° | 180.0° |
| O1 | C2 | C1 | H3 | 172.1° | 60.0° |
| O1 | C2 | C3 | H5 | 68.3° | 62.3° |
| C2 | O1 | C6 | H8 | 20.9° | 58.8° |
| C13 | C12 | O4 | C17 | 179.3° | 179.6° |
| C13 | C12 | C17 | C16 | 0.3° | 0.5° |
| C13 | C12 | O4 | C11 | 175.4° | 0.4° |
| C13 | C12 | C17 | H13 | 179.7° | 179.7° |
| C15 | C16 | C17 | C12 | 1.3° | 0.8° |
| C15 | C16 | C17 | O5 | 178.5° | 179.9° |
| C15 | C16 | O5 | C18 | 0.1° | 22.6° |
| C15 | C16 | C17 | H13 | 178.7° | 179.5° |
| O2 | C6 | O1 | H8 | 110.0° | 120.0° |
| C6 | O2 | C7 | C11 | 100.8° | 90.0° |
| C6 | O2 | C7 | C8 | 127.2° | 150.3° |
| O2 | C6 | C5 | H7 | 12.7° | 62.5° |
| C6 | O2 | C7 | H9 | 14.1° | 30.2° |
| O1 | C6 | O2 | C7 | 19.2° | 70.1° |
| C6 | O1 | C2 | H4 | 51.8° | 58.8° |
| O1 | C6 | C5 | H7 | 159.7° | 177.5° |
| C19 | C18 | O5 | C16 | 16.1° | 52.5° |
| C19 | C18 | O5 | C21 | 163.6° | 120.0° |
| C19 | C18 | O5 | H14 | 99.0° | 120.0° |
| C19 | C18 | C21 | H14 | 98.8° | 120.0° |
| C19 | C18 | C21 | C26 | 151.1° | 100.1° |
| C19 | C18 | C21 | C22 | 29.8° | 79.6° |
| C18 | C19 | H15 | H16 | 118.8° | 121.1° |
| O2 | C7 | C11 | O4 | 30.8° | 57.7° |
| O2 | C7 | C8 | O12 | 14.1° | 56.9° |
| O2 | C7 | C11 | C8 | 125.8° | 119.9° |
| O2 | C7 | C11 | H9 | 115.6° | 120.1° |
| O2 | C7 | C8 | H9 | 113.5° | 120.1° |
| O2 | C7 | C11 | O3 | 98.7° | 62.3° |
| O2 | C7 | C8 | C9 | 119.0° | 63.0° |
| C7 | O2 | C6 | H8 | 128.5° | 50.0° |
| O2 | C7 | C11 | H11 | 146.2° | 177.7° |
| O2 | C7 | C8 | H26 | 125.8° | 177.2° |
| O4 | C12 | C17 | C16 | 179.0° | 179.8° |
| C12 | O4 | C11 | C7 | 165.1° | 170.0° |
| C12 | O4 | C11 | O3 | 38.1° | 70.0° |
| C12 | O4 | C11 | H11 | 80.9° | 50.0° |
| O4 | C12 | C13 | H12 | 0.8° | 0.2° |
| O4 | C12 | C17 | H13 | 1.0° | 0.1° |
| C12 | C17 | C16 | H13 | 180.0° | 179.8° |
| C12 | C17 | C16 | O5 | 179.8° | 179.2° |
| C17 | C12 | O4 | C11 | 5.3° | 180.0° |
| C17 | C12 | C13 | H12 | 179.9° | 179.9° |
| C17 | C16 | O5 | C18 | 178.6° | 157.5° |
| C16 | O5 | C18 | C21 | 179.7° | 172.5° |
| O5 | C16 | C17 | H13 | 0.2° | 0.6° |
| C16 | O5 | C18 | H14 | 82.9° | 67.4° |
| O4 | C11 | C7 | O3 | 129.5° | 120.0° |
| O4 | C11 | C7 | H11 | 115.4° | 120.0° |
| O4 | C11 | C7 | C8 | 156.6° | 177.6° |
| O4 | C11 | O3 | H11 | 119.8° | 120.1° |
| O4 | C11 | O3 | C10 | 179.6° | 178.9° |
| O4 | C11 | C7 | H9 | 84.8° | 62.4° |
| O5 | C18 | C21 | H14 | 97.7° | 120.1° |
| O5 | C18 | C21 | C26 | 45.4° | 140.0° |
| O5 | C18 | C21 | C22 | 133.8° | 40.3° |
| O5 | C18 | C19 | H15 | 84.9° | 178.1° |
| O5 | C18 | C19 | H16 | 155.9° | 60.8° |
| C18 | C21 | C26 | C22 | 179.1° | 179.7° |
| C18 | C21 | C26 | C25 | 180.0° | 179.8° |
| C18 | C21 | C22 | C23 | 179.8° | 180.0° |
| C21 | C18 | C19 | H15 | 77.1° | 61.9° |
| C21 | C18 | C19 | H16 | 42.1° | 59.2° |
| C18 | C21 | C22 | H18 | 0.2° | 0.1° |
| C18 | C21 | C26 | H20 | 0.0° | 0.1° |
| O12 | C8 | C7 | C11 | 142.3° | 176.8° |
| O12 | C8 | C7 | C9 | 133.1° | 119.9° |
| O12 | C8 | C7 | H26 | 111.7° | 120.2° |
| O12 | C8 | C9 | H26 | 111.8° | 120.3° |
| O12 | C8 | C9 | O11 | 15.1° | 57.0° |
| O12 | C8 | C9 | C10 | 149.3° | 176.8° |
| O12 | C8 | C7 | H9 | 99.4° | 63.2° |
| O12 | C8 | C9 | H27 | 99.1° | 63.2° |
| C11 | C7 | C8 | H9 | 118.3° | 120.0° |
| C7 | C11 | O3 | H11 | 114.7° | 120.0° |
| C7 | C11 | O3 | C10 | 54.9° | 61.2° |
| C11 | C7 | C8 | C9 | 9.2° | 57.0° |
| C11 | C7 | C8 | H26 | 106.0° | 62.9° |
| C8 | C7 | C11 | O3 | 27.1° | 57.6° |
| C7 | C8 | C9 | H26 | 115.3° | 119.9° |
| C7 | C8 | C9 | O11 | 117.8° | 62.9° |
| C7 | C8 | C9 | C10 | 16.4° | 57.0° |
| C8 | C7 | C11 | H11 | 88.0° | 62.4° |
| C7 | C8 | C9 | H27 | 128.1° | 176.9° |
| C7 | C8 | O12 | H30 | 180.0° | 180.0° |
| C21 | C26 | C25 | H20 | 180.0° | 179.7° |
| C26 | C21 | C22 | C23 | 0.7° | 0.3° |
| C21 | C26 | C25 | O7 | 180.0° | 179.7° |
| C21 | C26 | C25 | C24 | 0.2° | 0.5° |
| C26 | C21 | C18 | H14 | 52.3° | 19.9° |
| C26 | C21 | C22 | H18 | 179.2° | 179.7° |
| C22 | C21 | C26 | C25 | 0.9° | 0.5° |
| C21 | C22 | C23 | H18 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C18 | H14 | 128.6° | 160.4° |
| C21 | C22 | C23 | H19 | 179.9° | 180.0° |
| C22 | C21 | C26 | H20 | 179.1° | 179.7° |
| C11 | O3 | C10 | C9 | 65.2° | 61.2° |
| C11 | O3 | C10 | C28 | 165.4° | 178.9° |
| O3 | C11 | C7 | H9 | 145.7° | 177.5° |
| C11 | O3 | C10 | H10 | 49.8° | 58.8° |
| C26 | C25 | O7 | C24 | 179.8° | 179.8° |
| C26 | C25 | C24 | C23 | 0.5° | 0.2° |
| C26 | C25 | C24 | O8 | 179.3° | 179.8° |
| C26 | C25 | O7 | H35 | 180.0° | 89.8° |
| O3 | C10 | C9 | C8 | 43.8° | 57.6° |
| O3 | C10 | C9 | O11 | 90.4° | 62.3° |
| O3 | C10 | C9 | C28 | 129.5° | 120.0° |
| O3 | C10 | C9 | H10 | 115.6° | 120.0° |
| O3 | C10 | C28 | H10 | 115.9° | 120.0° |
| O3 | C10 | C28 | O10 | 40.4° | 65.0° |
| C10 | O3 | C11 | H11 | 59.8° | 58.8° |
| O3 | C10 | C28 | H24 | 79.5° | 55.0° |
| O3 | C10 | C28 | H25 | 160.3° | 175.0° |
| O3 | C10 | C9 | H27 | 155.5° | 177.5° |
| C22 | C23 | C24 | C25 | 0.7° | 0.0° |
| C22 | C23 | C24 | H19 | 180.0° | 180.0° |
| C22 | C23 | C24 | O8 | 179.4° | 180.0° |
| C8 | C9 | O11 | C10 | 133.1° | 119.7° |
| C8 | C9 | O11 | H27 | 113.5° | 120.2° |
| C8 | C9 | C10 | H27 | 111.8° | 119.9° |
| C8 | C9 | C10 | C28 | 173.3° | 177.6° |
| C9 | C8 | C7 | H9 | 127.5° | 176.9° |
| C8 | C9 | C10 | H10 | 71.8° | 62.4° |
| C8 | C9 | O11 | H29 | 180.0° | 180.0° |
| C9 | C8 | O12 | H30 | 43.0° | 60.4° |
| O11 | C9 | C10 | H27 | 114.1° | 120.2° |
| O11 | C9 | C10 | C28 | 39.1° | 57.7° |
| O11 | C9 | C10 | H10 | 154.0° | 177.8° |
| O11 | C9 | C8 | H26 | 126.9° | 177.2° |
| O7 | C25 | C24 | C23 | 179.3° | 180.0° |
| O7 | C25 | C24 | O8 | 0.6° | 0.0° |
| O7 | C25 | C26 | H20 | 0.0° | 0.0° |
| C25 | C24 | C23 | O8 | 178.7° | 180.0° |
| C25 | C24 | O8 | C27 | 173.5° | 180.0° |
| C25 | C24 | C23 | H19 | 179.3° | 180.0° |
| C24 | C25 | C26 | H20 | 179.8° | 179.8° |
| C24 | C25 | O7 | H35 | 0.2° | 90.0° |
| C23 | C24 | O8 | C27 | 5.2° | 0.0° |
| C24 | C23 | C22 | H18 | 180.0° | 180.0° |
| C9 | C10 | C28 | H10 | 114.5° | 120.0° |
| C9 | C10 | C28 | O10 | 169.9° | 175.1° |
| C9 | C10 | C28 | H24 | 50.0° | 65.0° |
| C9 | C10 | C28 | H25 | 70.1° | 55.1° |
| C10 | C9 | C8 | H26 | 98.9° | 62.9° |
| C10 | C9 | O11 | H29 | 46.9° | 60.4° |
| O8 | C24 | C23 | H19 | 0.6° | 0.0° |
| C24 | O8 | C27 | H21 | 180.0° | 60.0° |
| C24 | O8 | C27 | H22 | 60.0° | 180.0° |
| C24 | O8 | C27 | H23 | 60.0° | 60.0° |
| C10 | C28 | O10 | H24 | 119.9° | 119.9° |
| C10 | C28 | O10 | H25 | 119.9° | 120.0° |
| C10 | C28 | H24 | H25 | 120.2° | 120.0° |
| C28 | C10 | C9 | H27 | 75.0° | 62.5° |
| C10 | C28 | O10 | H28 | 180.0° | 180.0° |
| O10 | C28 | C10 | H10 | 75.5° | 55.0° |
| O10 | C28 | H24 | H25 | 120.2° | 120.1° |
| O8 | C27 | H21 | H22 | 120.0° | 120.0° |
| O8 | C27 | H21 | H23 | 120.0° | 120.0° |
| O8 | C27 | H22 | H23 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 64.3° | 180.0° |
| H2 | C1 | C2 | H4 | 175.7° | 60.0° |
| H3 | C1 | C2 | H4 | 55.7° | 60.0° |
| H4 | C2 | C3 | H5 | 176.4° | 177.7° |
| H5 | C3 | C4 | H6 | 168.6° | 177.2° |
| H5 | C3 | O15 | H33 | 62.2° | 60.1° |
| H6 | C4 | C5 | H7 | 55.9° | 57.0° |
| H6 | C4 | O14 | H32 | 61.7° | 59.7° |
| H7 | C5 | C6 | H8 | 95.9° | 57.5° |
| H7 | C5 | O13 | H31 | 56.4° | 59.8° |
| H9 | C7 | C11 | H11 | 30.6° | 57.5° |
| H9 | C7 | C8 | H26 | 12.3° | 57.0° |
| H10 | C10 | C28 | H24 | 164.5° | 175.0° |
| H10 | C10 | C28 | H25 | 44.4° | 65.0° |
| H10 | C10 | C9 | H27 | 39.9° | 57.6° |
| H14 | C18 | C19 | H15 | 175.8° | 58.1° |
| H14 | C18 | C19 | H16 | 56.7° | 179.2° |
| H18 | C22 | C23 | H19 | 0.0° | 0.0° |
| H21 | C27 | H22 | H23 | 120.0° | 120.0° |
| H24 | C28 | O10 | H28 | 60.1° | 60.1° |
| H25 | C28 | O10 | H28 | 60.1° | 60.0° |
| H26 | C8 | C9 | H27 | 12.8° | 57.0° |
| H26 | C8 | O12 | H30 | 68.5° | 59.8° |
| H27 | C9 | O11 | H29 | 66.5° | 59.8° |
