HVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C19 | doub | 1.21Å | 1.22Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C4 | sing | 1.47Å | 1.48Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C12 | sing | 1.51Å | 1.51Å | |
| C15 | C18 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | doub | 1.37Å | 1.38Å | Aromatic |
| C12 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| O14 | C9 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | O7 | sing | 1.36Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| O14 | H11 | sing | 0.97Å | 0.95Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C19 | C20 | 118.5° | 120.0° |
| O21 | C19 | C4 | 120.7° | 120.0° |
| C20 | C19 | C4 | 120.8° | 120.0° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C19 | C4 | C3 | 120.8° | 120.1° |
| C19 | C4 | C5 | 120.1° | 120.1° |
| C17 | C15 | C16 | 107.0° | 109.5° |
| C17 | C15 | C12 | 111.5° | 109.5° |
| C17 | C15 | C18 | 110.5° | 109.5° |
| C15 | C17 | H15 | 109.5° | 109.5° |
| C15 | C17 | H16 | 109.5° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C3 | C4 | C5 | 119.1° | 119.8° |
| C4 | C3 | H2 | 120.0° | 120.1° |
| C3 | C2 | C1 | 120.7° | 120.1° |
| C3 | C2 | H1 | 119.7° | 119.9° |
| C2 | C3 | H2 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.2° | 119.9° |
| C4 | C5 | H3 | 119.9° | 120.0° |
| C16 | C15 | C12 | 111.3° | 109.5° |
| C16 | C15 | C18 | 108.0° | 109.5° |
| C15 | C16 | H12 | 109.5° | 109.5° |
| C15 | C16 | H13 | 109.4° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C2 | C1 | C6 | 119.3° | 120.2° |
| C2 | C1 | O7 | 122.4° | 119.9° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C12 | C15 | C18 | 108.6° | 109.4° |
| C15 | C12 | C9 | 123.1° | 120.0° |
| C15 | C12 | C13 | 117.8° | 120.0° |
| C15 | C18 | H18 | 109.5° | 109.5° |
| C15 | C18 | H19 | 109.4° | 109.5° |
| C15 | C18 | H20 | 109.5° | 109.5° |
| C5 | C6 | C1 | 120.7° | 120.1° |
| C6 | C5 | H3 | 119.9° | 120.1° |
| C5 | C6 | H4 | 119.7° | 119.9° |
| C9 | C12 | C13 | 119.1° | 120.0° |
| C12 | C9 | O14 | 123.3° | 120.0° |
| C12 | C9 | C10 | 120.2° | 120.0° |
| C12 | C13 | C8 | 120.3° | 120.0° |
| C12 | C13 | H7 | 119.8° | 120.0° |
| O14 | C9 | C10 | 116.5° | 120.0° |
| C9 | O14 | H11 | 109.5° | 114.0° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C9 | C10 | H5 | 120.1° | 120.0° |
| C13 | C8 | C11 | 120.3° | 120.0° |
| C13 | C8 | O7 | 120.3° | 120.0° |
| C8 | C13 | H7 | 119.9° | 120.0° |
| C6 | C1 | O7 | 118.3° | 119.9° |
| C1 | C6 | H4 | 119.7° | 120.0° |
| C1 | O7 | C8 | 121.7° | 118.0° |
| C10 | C11 | C8 | 120.3° | 120.0° |
| C11 | C10 | H5 | 120.1° | 120.0° |
| C10 | C11 | H6 | 119.8° | 120.0° |
| C11 | C8 | O7 | 119.4° | 120.0° |
| C8 | C11 | H6 | 119.9° | 120.0° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.4° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H17 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.4° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C19 | C20 | C4 | 179.3° | 180.0° |
| O21 | C19 | C4 | C3 | 28.9° | 6.6° |
| O21 | C19 | C4 | C5 | 150.7° | 173.5° |
| O21 | C19 | C20 | H8 | 0.0° | 175.3° |
| O21 | C19 | C20 | H9 | 120.0° | 55.4° |
| O21 | C19 | C20 | H10 | 120.0° | 64.6° |
| C20 | C19 | C4 | C3 | 151.8° | 173.4° |
| C20 | C19 | C4 | C5 | 28.5° | 6.5° |
| C19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C19 | C20 | H8 | H10 | 120.0° | 120.1° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C19 | C4 | C3 | C5 | 179.7° | 179.9° |
| C19 | C4 | C3 | C2 | 179.6° | 180.0° |
| C19 | C4 | C5 | C6 | 179.8° | 179.9° |
| C19 | C4 | C3 | H2 | 0.4° | 0.1° |
| C19 | C4 | C5 | H3 | 0.2° | 0.0° |
| C4 | C19 | C20 | H8 | 179.3° | 4.7° |
| C4 | C19 | C20 | H9 | 60.7° | 124.7° |
| C4 | C19 | C20 | H10 | 59.3° | 115.3° |
| C17 | C15 | C16 | C12 | 122.0° | 120.0° |
| C17 | C15 | C16 | C18 | 118.9° | 120.0° |
| C17 | C15 | C12 | C18 | 121.9° | 120.0° |
| C17 | C15 | C12 | C9 | 51.7° | 60.0° |
| C17 | C15 | C12 | C13 | 129.3° | 119.4° |
| C17 | C15 | C16 | H12 | 180.0° | 60.0° |
| C17 | C15 | C16 | H13 | 60.0° | 60.0° |
| C17 | C15 | C16 | H14 | 60.0° | 180.0° |
| C15 | C17 | H15 | H16 | 120.0° | 120.1° |
| C15 | C17 | H15 | H17 | 120.0° | 120.0° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C17 | C15 | C18 | H18 | 180.0° | 180.0° |
| C17 | C15 | C18 | H19 | 60.0° | 60.0° |
| C17 | C15 | C18 | H20 | 60.0° | 59.9° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H1 | 179.7° | 179.9° |
| C3 | C4 | C5 | H3 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C3 | C2 | C1 | O7 | 179.8° | 179.7° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C3 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | H4 | 179.9° | 179.8° |
| C16 | C15 | C12 | C18 | 118.7° | 120.0° |
| C16 | C15 | C12 | C9 | 171.1° | 60.0° |
| C16 | C15 | C12 | C13 | 10.0° | 120.6° |
| C15 | C16 | H12 | H13 | 120.0° | 120.1° |
| C15 | C16 | H12 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C16 | C15 | C17 | H15 | 180.0° | 180.0° |
| C16 | C15 | C17 | H16 | 60.0° | 60.0° |
| C16 | C15 | C17 | H17 | 60.0° | 60.0° |
| C16 | C15 | C18 | H18 | 63.3° | 60.0° |
| C16 | C15 | C18 | H19 | 56.7° | 60.0° |
| C16 | C15 | C18 | H20 | 176.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | O7 | 179.8° | 179.7° |
| C2 | C1 | O7 | C8 | 8.6° | 78.3° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C6 | H4 | 179.8° | 179.7° |
| C15 | C12 | C9 | C13 | 178.9° | 179.4° |
| C15 | C12 | C9 | O14 | 1.4° | 0.0° |
| C15 | C12 | C9 | C10 | 179.4° | 180.0° |
| C15 | C12 | C13 | C8 | 179.5° | 179.7° |
| C15 | C12 | C13 | H7 | 0.5° | 0.6° |
| C12 | C15 | C16 | H12 | 58.0° | 60.0° |
| C12 | C15 | C16 | H13 | 62.0° | 180.0° |
| C12 | C15 | C16 | H14 | 178.0° | 60.0° |
| C12 | C15 | C17 | H15 | 58.2° | 60.0° |
| C12 | C15 | C17 | H16 | 178.2° | 180.0° |
| C12 | C15 | C17 | H17 | 61.9° | 60.0° |
| C12 | C15 | C18 | H18 | 57.4° | 60.0° |
| C12 | C15 | C18 | H19 | 177.4° | 180.0° |
| C12 | C15 | C18 | H20 | 62.6° | 60.0° |
| C18 | C15 | C12 | C9 | 70.2° | 180.0° |
| C18 | C15 | C12 | C13 | 108.8° | 0.6° |
| C18 | C15 | C16 | H12 | 61.1° | 180.0° |
| C18 | C15 | C16 | H13 | 178.9° | 60.0° |
| C18 | C15 | C16 | H14 | 58.9° | 60.0° |
| C18 | C15 | C17 | H15 | 62.7° | 60.0° |
| C18 | C15 | C17 | H16 | 57.3° | 60.1° |
| C18 | C15 | C17 | H17 | 177.3° | 180.0° |
| C15 | C18 | H18 | H19 | 120.0° | 120.0° |
| C15 | C18 | H18 | H20 | 120.0° | 120.1° |
| C15 | C18 | H19 | H20 | 120.0° | 120.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.8° |
| C5 | C6 | C1 | O7 | 180.0° | 179.7° |
| C12 | C9 | O14 | C10 | 179.3° | 180.0° |
| C9 | C12 | C13 | C8 | 0.5° | 0.8° |
| C12 | C9 | C10 | C11 | 0.3° | 0.0° |
| C12 | C9 | C10 | H5 | 179.8° | 179.8° |
| C9 | C12 | C13 | H7 | 179.5° | 180.0° |
| C12 | C9 | O14 | H11 | 180.0° | 90.0° |
| C13 | C12 | C9 | O14 | 179.7° | 179.4° |
| C13 | C12 | C9 | C10 | 0.5° | 0.6° |
| C12 | C13 | C8 | H7 | 180.0° | 179.1° |
| C12 | C13 | C8 | C11 | 0.4° | 0.6° |
| C12 | C13 | C8 | O7 | 180.0° | 180.0° |
| O14 | C9 | C10 | C11 | 179.6° | 180.0° |
| O14 | C9 | C10 | H5 | 0.4° | 0.3° |
| C9 | C10 | C11 | H5 | 180.0° | 179.8° |
| C9 | C10 | C11 | C8 | 0.1° | 0.2° |
| C9 | C10 | C11 | H6 | 179.9° | 179.7° |
| C10 | C9 | O14 | H11 | 0.7° | 90.0° |
| C13 | C8 | O7 | C1 | 88.2° | 179.9° |
| C13 | C8 | C11 | C10 | 0.2° | 0.1° |
| C13 | C8 | C11 | O7 | 179.6° | 179.4° |
| C13 | C8 | C11 | H6 | 179.8° | 180.0° |
| C6 | C1 | O7 | C8 | 171.6° | 102.0° |
| C6 | C1 | C2 | H1 | 179.7° | 180.0° |
| C1 | C6 | C5 | H3 | 179.9° | 179.9° |
| C1 | O7 | C8 | C11 | 92.2° | 0.7° |
| O7 | C1 | C2 | H1 | 0.1° | 0.3° |
| O7 | C1 | C6 | H4 | 0.0° | 0.1° |
| C10 | C11 | C8 | H6 | 180.0° | 179.9° |
| C10 | C11 | C8 | O7 | 179.8° | 179.5° |
| C8 | C11 | C10 | H5 | 179.9° | 180.0° |
| C11 | C8 | C13 | H7 | 179.6° | 179.7° |
| O7 | C8 | C11 | H6 | 0.2° | 0.6° |
| O7 | C8 | C13 | H7 | 0.0° | 0.9° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H3 | C5 | C6 | H4 | 0.1° | 0.3° |
| H5 | C10 | C11 | H6 | 0.1° | 0.1° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | H16 | H17 | 120.0° | 119.9° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
