XIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| H1A | C1 | sing | 1.09Å | 1.10Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | O2 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| H4 | C4 | sing | 1.08Å | 1.08Å | |
| H5 | C5 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C6 | sing | 1.48Å | 1.48Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C43 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C42 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| H13 | C13 | sing | 1.09Å | 1.10Å | |
| H13A | C13 | sing | 1.09Å | 1.10Å | |
| C13 | N14 | sing | 1.47Å | 1.47Å | |
| C15 | N14 | sing | 1.46Å | 1.48Å | |
| N14 | C25 | sing | 1.35Å | 1.35Å | |
| C24 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| H16 | C16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| H17 | C17 | sing | 1.09Å | 1.10Å | |
| H17A | C17 | sing | 1.09Å | 1.10Å | |
| H18A | C18 | sing | 1.09Å | 1.10Å | |
| H18 | C18 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| H20 | C20 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| H21 | C21 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| C25 | C27 | sing | 1.48Å | 1.50Å | |
| C27 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C35 | sing | 1.41Å | 1.42Å | Aromatic |
| H28 | C28 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.48Å | 1.50Å | |
| C29 | C33 | doub | 1.41Å | 1.42Å | Aromatic |
| O32 | C30 | doub | 1.21Å | 1.25Å | |
| C30 | O31 | sing | 1.35Å | 1.25Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C34 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | C39 | sing | 1.48Å | 1.50Å | |
| C35 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | sing | 1.48Å | 1.50Å | |
| O38 | C36 | doub | 1.21Å | 1.26Å | |
| C36 | O37 | sing | 1.35Å | 1.25Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å | |
| C39 | O40 | doub | 1.21Å | 1.25Å | |
| C39 | O41 | sing | 1.35Å | 1.25Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| H42 | C42 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | sing | 1.38Å | 1.41Å | Aromatic |
| H43 | C43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1A | C1 | O2 | 109.5° | 109.5° |
| H1A | C1 | H1 | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H1B | 109.4° | 109.5° |
| C1 | O2 | C3 | 116.6° | 117.0° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| O2 | C3 | C4 | 117.7° | 120.0° |
| O2 | C3 | C8 | 123.7° | 119.9° |
| C4 | C3 | C8 | 118.7° | 120.1° |
| C3 | C4 | C5 | 120.6° | 120.1° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C3 | C8 | C7 | 120.5° | 120.1° |
| C3 | C8 | H8 | 119.8° | 120.0° |
| C5 | C4 | H4 | 119.7° | 119.9° |
| C4 | C5 | H5 | 119.4° | 120.1° |
| C4 | C5 | C6 | 121.1° | 119.9° |
| H5 | C5 | C6 | 119.5° | 120.0° |
| C5 | C6 | C9 | 120.6° | 120.1° |
| C5 | C6 | C7 | 118.1° | 119.9° |
| C9 | C6 | C7 | 121.3° | 120.0° |
| C6 | C9 | C43 | 121.0° | 120.1° |
| C6 | C9 | C10 | 120.9° | 120.2° |
| C6 | C7 | H7 | 119.5° | 120.1° |
| C6 | C7 | C8 | 121.1° | 119.9° |
| H7 | C7 | C8 | 119.5° | 120.0° |
| C7 | C8 | H8 | 119.8° | 119.9° |
| C43 | C9 | C10 | 118.1° | 119.7° |
| C9 | C43 | C42 | 121.1° | 119.9° |
| C9 | C43 | H43 | 119.5° | 120.1° |
| C9 | C10 | C11 | 120.9° | 119.9° |
| C9 | C10 | H10 | 119.5° | 120.0° |
| C11 | C10 | H10 | 119.5° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.1° |
| C10 | C11 | H11 | 119.8° | 119.9° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.7° | 119.9° |
| C11 | C12 | C42 | 119.1° | 120.2° |
| C13 | C12 | C42 | 120.2° | 119.9° |
| C12 | C13 | H13 | 108.0° | 109.4° |
| C12 | C13 | H13A | 108.0° | 109.5° |
| C12 | C13 | N14 | 114.0° | 109.5° |
| C12 | C42 | H42 | 119.8° | 119.9° |
| C12 | C42 | C43 | 120.3° | 120.1° |
| H13 | C13 | H13A | 110.9° | 109.5° |
| H13 | C13 | N14 | 108.0° | 109.5° |
| H13A | C13 | N14 | 108.0° | 109.5° |
| C13 | N14 | C15 | 117.7° | 120.0° |
| C13 | N14 | C25 | 119.6° | 120.0° |
| C15 | N14 | C25 | 122.3° | 120.0° |
| N14 | C15 | C24 | 111.9° | 109.2° |
| N14 | C15 | C16 | 112.3° | 109.2° |
| N14 | C15 | H15 | 107.7° | 109.3° |
| N14 | C25 | O26 | 123.2° | 120.0° |
| N14 | C25 | C27 | 117.7° | 120.0° |
| C24 | C15 | C16 | 114.6° | 110.6° |
| C24 | C15 | H15 | 105.0° | 109.2° |
| C15 | C24 | C19 | 122.1° | 122.6° |
| C15 | C24 | C23 | 118.6° | 117.7° |
| C16 | C15 | H15 | 104.5° | 109.3° |
| C15 | C16 | C17 | 114.3° | 108.4° |
| C15 | C16 | H16 | 107.9° | 109.7° |
| C15 | C16 | H16A | 107.9° | 109.7° |
| C17 | C16 | H16 | 107.9° | 109.7° |
| C17 | C16 | H16A | 107.9° | 109.6° |
| C16 | C17 | C18 | 111.5° | 108.4° |
| C16 | C17 | H17 | 108.8° | 109.7° |
| C16 | C17 | H17A | 108.8° | 109.6° |
| H16 | C16 | H16A | 111.0° | 109.7° |
| C18 | C17 | H17 | 108.8° | 109.7° |
| C18 | C17 | H17A | 108.8° | 109.7° |
| C17 | C18 | H18A | 108.3° | 109.3° |
| C17 | C18 | H18 | 108.3° | 109.3° |
| C17 | C18 | C19 | 113.0° | 110.6° |
| H17 | C17 | H17A | 110.1° | 109.7° |
| H18A | C18 | H18 | 110.6° | 109.2° |
| H18A | C18 | C19 | 108.3° | 109.2° |
| H18 | C18 | C19 | 108.3° | 109.2° |
| C18 | C19 | C20 | 118.9° | 117.8° |
| C18 | C19 | C24 | 121.3° | 122.5° |
| C20 | C19 | C24 | 119.7° | 119.6° |
| C19 | C20 | H20 | 119.8° | 119.7° |
| C19 | C20 | C21 | 120.4° | 120.6° |
| C19 | C24 | C23 | 119.2° | 119.7° |
| H20 | C20 | C21 | 119.8° | 119.7° |
| C20 | C21 | H21 | 120.0° | 120.1° |
| C20 | C21 | C22 | 120.0° | 119.8° |
| H21 | C21 | C22 | 120.0° | 120.1° |
| C21 | C22 | H22 | 120.2° | 120.1° |
| C21 | C22 | C23 | 119.7° | 119.7° |
| H22 | C22 | C23 | 120.1° | 120.1° |
| C22 | C23 | C24 | 120.9° | 120.5° |
| C22 | C23 | H23 | 119.6° | 119.7° |
| C24 | C23 | H23 | 119.5° | 119.7° |
| O26 | C25 | C27 | 118.5° | 120.0° |
| C25 | C27 | C28 | 118.0° | 120.0° |
| C25 | C27 | C35 | 122.3° | 120.0° |
| C28 | C27 | C35 | 119.4° | 120.0° |
| C27 | C28 | H28 | 119.1° | 120.0° |
| C27 | C28 | C29 | 121.8° | 120.0° |
| C27 | C35 | C34 | 118.9° | 120.0° |
| C27 | C35 | C36 | 122.4° | 120.0° |
| H28 | C28 | C29 | 119.1° | 120.0° |
| C28 | C29 | C30 | 117.6° | 120.0° |
| C28 | C29 | C33 | 119.0° | 120.0° |
| C30 | C29 | C33 | 123.4° | 120.0° |
| C29 | C30 | O32 | 120.1° | 120.0° |
| C29 | C30 | O31 | 117.8° | 120.0° |
| C29 | C33 | C34 | 119.0° | 119.9° |
| C29 | C33 | C39 | 123.1° | 120.0° |
| O32 | C30 | O31 | 121.7° | 120.0° |
| C30 | O31 | HO31 | 109.5° | 117.0° |
| C34 | C33 | C39 | 117.8° | 120.0° |
| C33 | C34 | C35 | 121.8° | 120.0° |
| C33 | C34 | H34 | 119.1° | 120.0° |
| C33 | C39 | O40 | 118.5° | 120.0° |
| C33 | C39 | O41 | 119.7° | 120.0° |
| C35 | C34 | H34 | 119.1° | 120.0° |
| C34 | C35 | C36 | 118.7° | 120.0° |
| C35 | C36 | O38 | 119.9° | 120.0° |
| C35 | C36 | O37 | 119.0° | 119.9° |
| O38 | C36 | O37 | 121.1° | 120.1° |
| C36 | O37 | HO37 | 109.5° | 117.0° |
| O40 | C39 | O41 | 121.3° | 120.0° |
| C39 | O41 | HO41 | 109.5° | 116.9° |
| H42 | C42 | C43 | 119.9° | 119.9° |
| C42 | C43 | H43 | 119.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1A | C1 | O2 | H1 | 120.0° | 120.0° |
| H1A | C1 | O2 | H1B | 120.0° | 120.1° |
| H1A | C1 | H1 | H1B | 120.0° | 120.0° |
| H1A | C1 | O2 | C3 | 180.0° | 179.9° |
| O2 | C1 | H1 | H1B | 120.0° | 119.9° |
| C1 | O2 | C3 | C4 | 153.1° | 0.3° |
| C1 | O2 | C3 | C8 | 27.0° | 180.0° |
| H1 | C1 | O2 | C3 | 60.0° | 59.9° |
| H1B | C1 | O2 | C3 | 60.0° | 60.0° |
| O2 | C3 | C4 | C8 | 179.9° | 179.6° |
| O2 | C3 | C4 | C5 | 178.0° | 179.9° |
| O2 | C3 | C4 | H4 | 2.0° | 0.1° |
| O2 | C3 | C8 | C7 | 178.7° | 179.8° |
| O2 | C3 | C8 | H8 | 1.4° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 178.9° | 179.9° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C4 | C3 | C8 | C7 | 1.4° | 0.6° |
| C4 | C3 | C8 | H8 | 178.5° | 179.8° |
| C8 | C3 | C4 | C5 | 2.0° | 0.3° |
| C8 | C3 | C4 | H4 | 177.9° | 179.7° |
| C3 | C8 | C7 | C6 | 0.2° | 0.6° |
| C3 | C8 | C7 | H7 | 179.8° | 179.7° |
| C3 | C8 | C7 | H8 | 180.0° | 179.6° |
| C4 | C5 | H5 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C9 | 178.4° | 179.9° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| H4 | C4 | C5 | H5 | 1.1° | 0.0° |
| H4 | C4 | C5 | C6 | 178.9° | 180.0° |
| H5 | C5 | C6 | C9 | 1.6° | 0.0° |
| H5 | C5 | C6 | C7 | 179.5° | 180.0° |
| C5 | C6 | C9 | C7 | 178.8° | 179.9° |
| C5 | C6 | C7 | H7 | 178.9° | 180.0° |
| C5 | C6 | C7 | C8 | 1.1° | 0.3° |
| C5 | C6 | C9 | C43 | 138.4° | 0.2° |
| C5 | C6 | C9 | C10 | 40.4° | 180.0° |
| C9 | C6 | C7 | H7 | 2.3° | 0.1° |
| C9 | C6 | C7 | C8 | 177.7° | 179.8° |
| C6 | C9 | C43 | C10 | 178.9° | 179.7° |
| C6 | C9 | C10 | C11 | 177.4° | 180.0° |
| C6 | C9 | C10 | H10 | 2.7° | 0.1° |
| C6 | C9 | C43 | C42 | 177.6° | 179.8° |
| C6 | C9 | C43 | H43 | 2.4° | 0.2° |
| C6 | C7 | H7 | C8 | 180.0° | 179.7° |
| C6 | C7 | C8 | H8 | 179.9° | 179.8° |
| C7 | C6 | C9 | C43 | 40.4° | 179.7° |
| C7 | C6 | C9 | C10 | 140.8° | 0.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C43 | C9 | C10 | C11 | 1.5° | 0.3° |
| C43 | C9 | C10 | H10 | 178.5° | 179.8° |
| C9 | C43 | C42 | C12 | 0.1° | 0.4° |
| C9 | C43 | C42 | H42 | 180.0° | 179.7° |
| C9 | C43 | C42 | H43 | 180.0° | 179.6° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C9 | C10 | C11 | H11 | 179.6° | 179.9° |
| C10 | C9 | C43 | C42 | 1.3° | 0.5° |
| C10 | C9 | C43 | H43 | 178.7° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | C12 | C42 | 1.0° | 0.0° |
| H10 | C10 | C11 | C12 | 179.6° | 179.9° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
| C11 | C12 | C13 | C42 | 179.5° | 179.9° |
| C11 | C12 | C13 | H13 | 130.6° | 150.0° |
| C11 | C12 | C13 | H13A | 10.6° | 30.0° |
| C11 | C12 | C13 | N14 | 109.5° | 90.0° |
| C11 | C12 | C42 | H42 | 178.8° | 180.0° |
| C11 | C12 | C42 | C43 | 1.2° | 0.2° |
| H11 | C11 | C12 | C13 | 0.5° | 0.1° |
| H11 | C11 | C12 | C42 | 179.0° | 180.0° |
| C12 | C13 | H13 | H13A | 118.1° | 120.0° |
| C12 | C13 | H13 | N14 | 123.7° | 120.0° |
| C12 | C13 | H13A | N14 | 123.7° | 120.0° |
| C12 | C13 | N14 | C15 | 133.2° | 90.0° |
| C12 | C13 | N14 | C25 | 53.7° | 90.0° |
| C13 | C12 | C42 | H42 | 0.7° | 0.1° |
| C13 | C12 | C42 | C43 | 179.3° | 179.8° |
| C42 | C12 | C13 | H13 | 49.9° | 30.0° |
| C42 | C12 | C13 | H13A | 169.9° | 150.0° |
| C42 | C12 | C13 | N14 | 70.0° | 89.9° |
| C12 | C42 | H42 | C43 | 180.0° | 179.8° |
| C12 | C42 | C43 | H43 | 180.0° | 180.0° |
| H13 | C13 | H13A | N14 | 118.2° | 120.0° |
| H13 | C13 | N14 | C15 | 13.2° | 150.0° |
| H13 | C13 | N14 | C25 | 173.6° | 30.0° |
| H13A | C13 | N14 | C15 | 106.8° | 30.0° |
| H13A | C13 | N14 | C25 | 66.3° | 150.0° |
| C13 | N14 | C15 | C25 | 172.9° | 180.0° |
| C13 | N14 | C15 | C24 | 51.1° | 115.9° |
| C13 | N14 | C15 | C16 | 79.4° | 123.0° |
| C13 | N14 | C15 | H15 | 166.0° | 3.5° |
| C13 | N14 | C25 | O26 | 23.4° | 175.4° |
| C13 | N14 | C25 | C27 | 147.6° | 4.7° |
| N14 | C15 | C24 | C16 | 129.3° | 120.3° |
| N14 | C15 | C24 | H15 | 116.5° | 119.4° |
| N14 | C15 | C16 | H15 | 116.5° | 119.5° |
| N14 | C15 | C16 | C17 | 97.1° | 171.4° |
| N14 | C15 | C16 | H16 | 142.9° | 68.9° |
| N14 | C15 | C16 | H16A | 22.9° | 51.7° |
| N14 | C15 | C24 | C19 | 122.8° | 137.9° |
| N14 | C15 | C24 | C23 | 55.3° | 42.3° |
| C15 | N14 | C25 | O26 | 149.4° | 4.6° |
| C15 | N14 | C25 | C27 | 39.6° | 175.4° |
| C25 | N14 | C15 | C24 | 121.9° | 64.1° |
| C25 | N14 | C15 | C16 | 107.6° | 57.0° |
| C25 | N14 | C15 | H15 | 6.9° | 176.5° |
| N14 | C25 | O26 | C27 | 170.9° | 180.0° |
| N14 | C25 | C27 | C28 | 66.2° | 63.8° |
| N14 | C25 | C27 | C35 | 120.6° | 116.6° |
| C24 | C15 | C16 | H15 | 114.4° | 120.2° |
| C24 | C15 | C16 | C17 | 32.0° | 51.1° |
| C24 | C15 | C16 | H16 | 88.0° | 170.8° |
| C24 | C15 | C16 | H16A | 152.0° | 68.6° |
| C15 | C24 | C19 | C18 | 3.4° | 0.5° |
| C15 | C24 | C19 | C20 | 176.7° | 179.6° |
| C15 | C24 | C19 | C23 | 178.1° | 179.7° |
| C15 | C24 | C23 | C22 | 176.7° | 179.7° |
| C15 | C24 | C23 | H23 | 3.3° | 0.5° |
| C15 | C16 | C17 | H16 | 120.0° | 119.7° |
| C15 | C16 | C17 | H16A | 120.0° | 119.7° |
| C15 | C16 | H16 | H16A | 118.0° | 120.6° |
| C15 | C16 | C17 | C18 | 54.2° | 69.9° |
| C15 | C16 | C17 | H17 | 174.2° | 49.8° |
| C15 | C16 | C17 | H17A | 65.8° | 170.3° |
| C16 | C15 | C24 | C19 | 6.5° | 17.7° |
| C16 | C15 | C24 | C23 | 175.4° | 162.6° |
| H15 | C15 | C16 | C17 | 146.4° | 69.1° |
| H15 | C15 | C16 | H16 | 26.4° | 50.6° |
| H15 | C15 | C16 | H16A | 93.5° | 171.2° |
| H15 | C15 | C24 | C19 | 120.7° | 102.7° |
| H15 | C15 | C24 | C23 | 61.3° | 77.1° |
| C17 | C16 | H16 | H16A | 118.0° | 120.5° |
| C16 | C17 | C18 | H17 | 120.0° | 119.7° |
| C16 | C17 | C18 | H17A | 120.0° | 119.7° |
| C16 | C17 | H17 | H17A | 119.2° | 120.5° |
| C16 | C17 | C18 | H18A | 70.3° | 69.2° |
| C16 | C17 | C18 | H18 | 169.8° | 171.4° |
| C16 | C17 | C18 | C19 | 49.7° | 51.1° |
| H16 | C16 | C17 | C18 | 65.8° | 170.3° |
| H16 | C16 | C17 | H17 | 54.1° | 69.9° |
| H16 | C16 | C17 | H17A | 174.2° | 50.6° |
| H16A | C16 | C17 | C18 | 174.2° | 49.8° |
| H16A | C16 | C17 | H17 | 65.8° | 169.5° |
| H16A | C16 | C17 | H17A | 54.2° | 70.0° |
| C18 | C17 | H17 | H17A | 119.1° | 120.6° |
| C17 | C18 | H18A | H18 | 118.5° | 119.5° |
| C17 | C18 | H18A | C19 | 122.9° | 121.2° |
| C17 | C18 | H18 | C19 | 122.9° | 121.1° |
| C17 | C18 | C19 | C20 | 154.8° | 162.4° |
| C17 | C18 | C19 | C24 | 25.3° | 17.6° |
| H17 | C17 | C18 | H18A | 49.7° | 171.0° |
| H17 | C17 | C18 | H18 | 70.2° | 51.7° |
| H17 | C17 | C18 | C19 | 169.8° | 68.6° |
| H17A | C17 | C18 | H18A | 169.7° | 50.4° |
| H17A | C17 | C18 | H18 | 49.7° | 68.9° |
| H17A | C17 | C18 | C19 | 70.3° | 170.8° |
| H18A | C18 | H18 | C19 | 118.5° | 119.4° |
| H18A | C18 | C19 | C20 | 85.2° | 77.2° |
| H18A | C18 | C19 | C24 | 94.7° | 102.7° |
| H18 | C18 | C19 | C20 | 34.8° | 42.1° |
| H18 | C18 | C19 | C24 | 145.4° | 137.9° |
| C18 | C19 | C20 | C24 | 179.9° | 179.9° |
| C18 | C19 | C20 | H20 | 0.1° | 0.2° |
| C18 | C19 | C20 | C21 | 179.9° | 179.8° |
| C18 | C19 | C24 | C23 | 178.5° | 179.8° |
| C19 | C20 | H20 | C21 | 180.0° | 179.9° |
| C19 | C20 | C21 | H21 | 178.6° | 180.0° |
| C19 | C20 | C21 | C22 | 1.4° | 0.0° |
| C20 | C19 | C24 | C23 | 1.3° | 0.2° |
| C24 | C19 | C20 | H20 | 179.9° | 179.9° |
| C24 | C19 | C20 | C21 | 0.1° | 0.2° |
| C19 | C24 | C23 | C22 | 1.5° | 0.1° |
| C19 | C24 | C23 | H23 | 178.5° | 179.8° |
| H20 | C20 | C21 | H21 | 1.4° | 0.1° |
| H20 | C20 | C21 | C22 | 178.6° | 180.0° |
| C20 | C21 | H21 | C22 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 178.7° | 179.9° |
| C20 | C21 | C22 | C23 | 1.3° | 0.1° |
| H21 | C21 | C22 | H22 | 1.3° | 0.1° |
| H21 | C21 | C22 | C23 | 178.7° | 179.9° |
| C21 | C22 | H22 | C23 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.1° |
| C21 | C22 | C23 | H23 | 179.8° | 179.9° |
| H22 | C22 | C23 | C24 | 179.9° | 179.9° |
| H22 | C22 | C23 | H23 | 0.2° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| O26 | C25 | C27 | C28 | 105.2° | 116.2° |
| O26 | C25 | C27 | C35 | 68.0° | 63.4° |
| C25 | C27 | C28 | C35 | 173.4° | 179.6° |
| C25 | C27 | C28 | H28 | 8.1° | 0.1° |
| C25 | C27 | C28 | C29 | 171.9° | 180.0° |
| C25 | C27 | C35 | C34 | 172.5° | 179.8° |
| C25 | C27 | C35 | C36 | 5.3° | 0.1° |
| C27 | C28 | H28 | C29 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 180.0° | 180.0° |
| C27 | C28 | C29 | C33 | 0.3° | 0.1° |
| C28 | C27 | C35 | C34 | 0.6° | 0.6° |
| C28 | C27 | C35 | C36 | 178.4° | 179.7° |
| C35 | C27 | C28 | H28 | 178.5° | 179.7° |
| C35 | C27 | C28 | C29 | 1.5° | 0.3° |
| C27 | C35 | C34 | C33 | 2.1° | 0.6° |
| C27 | C35 | C34 | C36 | 177.9° | 179.7° |
| C27 | C35 | C34 | H34 | 177.9° | 179.7° |
| C27 | C35 | C36 | O38 | 44.8° | 5.7° |
| C27 | C35 | C36 | O37 | 133.2° | 174.4° |
| H28 | C28 | C29 | C30 | 0.0° | 0.0° |
| H28 | C28 | C29 | C33 | 179.7° | 180.0° |
| C28 | C29 | C30 | C33 | 179.7° | 180.0° |
| C28 | C29 | C30 | O32 | 132.4° | 124.7° |
| C28 | C29 | C30 | O31 | 40.8° | 55.3° |
| C28 | C29 | C33 | C34 | 2.8° | 0.0° |
| C28 | C29 | C33 | C39 | 173.0° | 179.9° |
| C29 | C30 | O32 | O31 | 172.9° | 180.0° |
| C29 | C30 | O31 | HO31 | 173.1° | 175.0° |
| C30 | C29 | C33 | C34 | 177.4° | 180.0° |
| C30 | C29 | C33 | C39 | 6.8° | 0.1° |
| C33 | C29 | C30 | O32 | 47.8° | 55.3° |
| C33 | C29 | C30 | O31 | 139.0° | 124.7° |
| C29 | C33 | C34 | C39 | 176.0° | 179.9° |
| C29 | C33 | C34 | C35 | 3.8° | 0.3° |
| C29 | C33 | C34 | H34 | 176.2° | 180.0° |
| C29 | C33 | C39 | O40 | 140.6° | 6.8° |
| C29 | C33 | C39 | O41 | 47.6° | 173.3° |
| O32 | C30 | O31 | HO31 | 0.0° | 5.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.7° |
| C33 | C34 | C35 | C36 | 175.8° | 179.8° |
| C34 | C33 | C39 | O40 | 43.5° | 173.3° |
| C34 | C33 | C39 | O41 | 128.2° | 6.6° |
| C39 | C33 | C34 | C35 | 172.2° | 179.8° |
| C39 | C33 | C34 | H34 | 7.8° | 0.1° |
| C33 | C39 | O40 | O41 | 171.6° | 179.9° |
| C33 | C39 | O41 | HO41 | 171.5° | 180.0° |
| C34 | C35 | C36 | O38 | 137.3° | 174.0° |
| C34 | C35 | C36 | O37 | 44.6° | 6.0° |
| H34 | C34 | C35 | C36 | 4.2° | 0.0° |
| C35 | C36 | O38 | O37 | 178.0° | 180.0° |
| C35 | C36 | O37 | HO37 | 178.0° | 180.0° |
| O38 | C36 | O37 | HO37 | 0.0° | 0.0° |
| O40 | C39 | O41 | HO41 | 0.0° | 0.1° |
| H42 | C42 | C43 | H43 | 0.0° | 0.1° |
