HVD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C14 | sing | 1.36Å | 1.41Å | |
| C14 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C17 | sing | 1.51Å | 1.52Å | |
| C12 | C08 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | O01 | sing | 1.36Å | 1.39Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C08 | C05 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C09 | C11 | doub | 1.31Å | 1.32Å | |
| C09 | C04 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.50Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C06 | C01 | doub | 1.29Å | 1.32Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.50Å | 1.52Å | |
| C01 | C07 | sing | 1.51Å | 1.53Å | |
| C02 | H01 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C03 | H04 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H09 | sing | 1.09Å | 1.10Å | |
| C06 | H08 | sing | 1.08Å | 1.08Å | |
| C07 | H05 | sing | 1.09Å | 1.10Å | |
| C07 | H06 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| O01 | H29 | sing | 0.97Å | 0.95Å | |
| O02 | H30 | sing | 0.97Å | 0.95Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C14 | C13 | 119.6° | 120.0° |
| O02 | C14 | C15 | 119.1° | 120.0° |
| C14 | O02 | H30 | 109.5° | 114.0° |
| C13 | C14 | C15 | 121.3° | 120.0° |
| C14 | C13 | C12 | 121.3° | 120.0° |
| C14 | C13 | H16 | 119.4° | 120.0° |
| C14 | C15 | C16 | 120.4° | 119.9° |
| C14 | C15 | H17 | 119.8° | 120.0° |
| C13 | C12 | C17 | 118.0° | 120.0° |
| C13 | C12 | C08 | 119.5° | 120.1° |
| C12 | C13 | H16 | 119.4° | 119.9° |
| C15 | C16 | C08 | 120.1° | 119.9° |
| C15 | C16 | O01 | 120.1° | 120.0° |
| C16 | C15 | H17 | 119.8° | 120.1° |
| C17 | C12 | C08 | 122.5° | 120.0° |
| C12 | C17 | C18 | 111.6° | 109.5° |
| C12 | C17 | H19 | 109.0° | 109.4° |
| C12 | C17 | H18 | 109.0° | 109.5° |
| C12 | C08 | C16 | 117.4° | 120.1° |
| C12 | C08 | C05 | 120.3° | 120.0° |
| C20 | C19 | C18 | 109.9° | 109.5° |
| C19 | C20 | C21 | 110.3° | 109.5° |
| C20 | C19 | H23 | 109.4° | 109.4° |
| C20 | C19 | H22 | 109.4° | 109.5° |
| C19 | C20 | H24 | 109.3° | 109.5° |
| C19 | C20 | H25 | 109.3° | 109.5° |
| C19 | C18 | C17 | 112.5° | 109.4° |
| C19 | C18 | H21 | 108.7° | 109.5° |
| C19 | C18 | H20 | 108.7° | 109.5° |
| C18 | C19 | H23 | 109.4° | 109.5° |
| C18 | C19 | H22 | 109.4° | 109.5° |
| C18 | C17 | H19 | 108.9° | 109.5° |
| C18 | C17 | H18 | 108.9° | 109.5° |
| C17 | C18 | H21 | 108.7° | 109.4° |
| C17 | C18 | H20 | 108.7° | 109.5° |
| C08 | C16 | O01 | 119.8° | 120.0° |
| C16 | C08 | C05 | 122.3° | 119.9° |
| C16 | O01 | H29 | 109.5° | 114.0° |
| C10 | C09 | C11 | 120.3° | 120.0° |
| C10 | C09 | C04 | 117.7° | 120.0° |
| C09 | C10 | H11 | 109.5° | 109.5° |
| C09 | C10 | H13 | 109.4° | 109.5° |
| C09 | C10 | H12 | 109.5° | 109.5° |
| C08 | C05 | C04 | 111.7° | 109.4° |
| C08 | C05 | C06 | 109.3° | 109.5° |
| C08 | C05 | H09 | 107.8° | 109.2° |
| C21 | C20 | H24 | 109.3° | 109.5° |
| C21 | C20 | H25 | 109.3° | 109.5° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.5° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C11 | C09 | C04 | 121.9° | 120.0° |
| C09 | C11 | H15 | 120.0° | 120.0° |
| C09 | C11 | H14 | 120.0° | 120.0° |
| C09 | C04 | C05 | 110.3° | 109.8° |
| C09 | C04 | C03 | 111.9° | 109.6° |
| C09 | C04 | H10 | 109.0° | 109.6° |
| C04 | C05 | C06 | 112.0° | 110.2° |
| C05 | C04 | C03 | 107.5° | 108.4° |
| C05 | C04 | H10 | 108.9° | 109.7° |
| C04 | C05 | H09 | 107.9° | 109.4° |
| C05 | C06 | C01 | 122.4° | 124.0° |
| C06 | C05 | H09 | 107.9° | 109.2° |
| C05 | C06 | H08 | 118.8° | 118.0° |
| C04 | C03 | C02 | 110.1° | 108.4° |
| C04 | C03 | H04 | 109.3° | 109.6° |
| C04 | C03 | H03 | 109.3° | 109.8° |
| C03 | C04 | H10 | 109.2° | 109.6° |
| C06 | C01 | C02 | 121.1° | 124.1° |
| C06 | C01 | C07 | 120.4° | 118.0° |
| C01 | C06 | H08 | 118.8° | 117.9° |
| C03 | C02 | C01 | 114.4° | 110.2° |
| C03 | C02 | H01 | 108.3° | 109.4° |
| C03 | C02 | H02 | 108.2° | 109.3° |
| C02 | C03 | H04 | 109.3° | 109.7° |
| C02 | C03 | H03 | 109.3° | 109.7° |
| C02 | C01 | C07 | 118.4° | 118.0° |
| C01 | C02 | H01 | 108.2° | 109.3° |
| C01 | C02 | H02 | 108.2° | 109.4° |
| C01 | C07 | H05 | 109.5° | 109.5° |
| C01 | C07 | H06 | 109.5° | 109.4° |
| C01 | C07 | H07 | 109.5° | 109.5° |
| H01 | C02 | H02 | 109.5° | 109.3° |
| H04 | C03 | H03 | 109.4° | 109.6° |
| H05 | C07 | H06 | 109.5° | 109.5° |
| H05 | C07 | H07 | 109.4° | 109.5° |
| H06 | C07 | H07 | 109.5° | 109.5° |
| H11 | C10 | H13 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C10 | H12 | 109.5° | 109.5° |
| H15 | C11 | H14 | 120.0° | 120.0° |
| H19 | C17 | H18 | 109.5° | 109.4° |
| H21 | C18 | H20 | 109.5° | 109.5° |
| H23 | C19 | H22 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H26 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C14 | C13 | C15 | 178.6° | 179.9° |
| O02 | C14 | C13 | C12 | 179.7° | 180.0° |
| O02 | C14 | C15 | C16 | 179.8° | 179.8° |
| O02 | C14 | C13 | H16 | 0.3° | 0.1° |
| O02 | C14 | C15 | H17 | 0.2° | 0.1° |
| C14 | C13 | C12 | H16 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.6° | 0.4° |
| C14 | C13 | C12 | C17 | 178.8° | 180.0° |
| C14 | C13 | C12 | C08 | 0.2° | 0.1° |
| C13 | C14 | C15 | H17 | 178.4° | 180.0° |
| C13 | C14 | O02 | H30 | 180.0° | 90.0° |
| C15 | C14 | C13 | C12 | 1.1° | 0.1° |
| C14 | C15 | C16 | H17 | 180.0° | 179.7° |
| C14 | C15 | C16 | C08 | 1.2° | 0.6° |
| C14 | C15 | C16 | O01 | 179.0° | 179.9° |
| C15 | C14 | C13 | H16 | 178.9° | 180.0° |
| C15 | C14 | O02 | H30 | 1.4° | 90.1° |
| C13 | C12 | C17 | C08 | 179.0° | 179.9° |
| C13 | C12 | C17 | C18 | 104.9° | 99.1° |
| C13 | C12 | C08 | C16 | 0.2° | 0.3° |
| C13 | C12 | C08 | C05 | 179.8° | 180.0° |
| C13 | C12 | C17 | H19 | 15.4° | 21.0° |
| C13 | C12 | C17 | H18 | 134.7° | 140.9° |
| C15 | C16 | C08 | C12 | 0.3° | 0.6° |
| C15 | C16 | C08 | O01 | 179.7° | 179.4° |
| C15 | C16 | C08 | C05 | 179.7° | 179.7° |
| C15 | C16 | O01 | H29 | 180.0° | 90.0° |
| C12 | C17 | C18 | C19 | 66.5° | 180.0° |
| C12 | C17 | C18 | H19 | 120.3° | 120.0° |
| C12 | C17 | C18 | H18 | 120.3° | 120.0° |
| C17 | C12 | C08 | C16 | 179.2° | 179.7° |
| C17 | C12 | C08 | C05 | 0.8° | 0.0° |
| C17 | C12 | C13 | H16 | 1.2° | 0.1° |
| C12 | C17 | H19 | H18 | 119.1° | 119.9° |
| C12 | C17 | C18 | H21 | 53.9° | 60.0° |
| C12 | C17 | C18 | H20 | 173.0° | 60.0° |
| C08 | C12 | C17 | C18 | 74.1° | 81.0° |
| C12 | C08 | C16 | C05 | 180.0° | 179.7° |
| C12 | C08 | C16 | O01 | 180.0° | 179.9° |
| C12 | C08 | C05 | C04 | 118.1° | 121.4° |
| C12 | C08 | C05 | C06 | 117.4° | 117.7° |
| C12 | C08 | C05 | H09 | 0.3° | 1.8° |
| C08 | C12 | C13 | H16 | 179.8° | 180.0° |
| C08 | C12 | C17 | H19 | 165.6° | 159.0° |
| C08 | C12 | C17 | H18 | 46.3° | 39.1° |
| C20 | C19 | C18 | H23 | 120.1° | 119.9° |
| C20 | C19 | C18 | H22 | 120.1° | 120.0° |
| C20 | C19 | C18 | C17 | 177.7° | 180.0° |
| C19 | C20 | C21 | H24 | 120.1° | 120.0° |
| C19 | C20 | C21 | H25 | 120.2° | 120.0° |
| C20 | C19 | C18 | H21 | 61.8° | 60.0° |
| C20 | C19 | C18 | H20 | 57.2° | 60.0° |
| C20 | C19 | H23 | H22 | 119.8° | 120.0° |
| C19 | C20 | H24 | H25 | 119.6° | 120.0° |
| C19 | C20 | C21 | H26 | 180.0° | 60.0° |
| C19 | C20 | C21 | H27 | 60.0° | 180.0° |
| C19 | C20 | C21 | H28 | 60.0° | 60.1° |
| C19 | C18 | C17 | H21 | 120.4° | 120.0° |
| C19 | C18 | C17 | H20 | 120.5° | 120.0° |
| C18 | C19 | C20 | C21 | 74.0° | 180.0° |
| C19 | C18 | C17 | H19 | 53.8° | 60.0° |
| C19 | C18 | C17 | H18 | 173.2° | 60.0° |
| C19 | C18 | H21 | H20 | 118.6° | 120.0° |
| C18 | C19 | H23 | H22 | 119.8° | 120.1° |
| C18 | C19 | C20 | H24 | 165.9° | 60.0° |
| C18 | C19 | C20 | H25 | 46.2° | 60.0° |
| C18 | C17 | H19 | H18 | 119.0° | 120.0° |
| C17 | C18 | H21 | H20 | 118.6° | 120.0° |
| C17 | C18 | C19 | H23 | 57.7° | 60.0° |
| C17 | C18 | C19 | H22 | 62.2° | 60.0° |
| C16 | C08 | C05 | C04 | 62.0° | 58.9° |
| C16 | C08 | C05 | C06 | 62.6° | 62.0° |
| C16 | C08 | C05 | H09 | 179.7° | 178.5° |
| C08 | C16 | C15 | H17 | 178.8° | 179.7° |
| C08 | C16 | O01 | H29 | 0.2° | 90.5° |
| O01 | C16 | C08 | C05 | 0.0° | 0.3° |
| O01 | C16 | C15 | H17 | 1.0° | 0.3° |
| C10 | C09 | C11 | C04 | 179.4° | 179.9° |
| C10 | C09 | C04 | C05 | 102.9° | 65.9° |
| C10 | C09 | C04 | C03 | 137.5° | 53.1° |
| C10 | C09 | C04 | H10 | 16.6° | 173.5° |
| C09 | C10 | H11 | H13 | 120.0° | 120.0° |
| C09 | C10 | H11 | H12 | 120.0° | 120.0° |
| C09 | C10 | H13 | H12 | 120.0° | 120.0° |
| C10 | C09 | C11 | H15 | 179.4° | 0.1° |
| C10 | C09 | C11 | H14 | 0.6° | 179.9° |
| C08 | C05 | C04 | C09 | 61.2° | 70.6° |
| C08 | C05 | C04 | C06 | 123.0° | 120.4° |
| C08 | C05 | C04 | H09 | 118.3° | 119.6° |
| C08 | C05 | C06 | H09 | 117.0° | 119.5° |
| C08 | C05 | C04 | C03 | 176.5° | 169.7° |
| C08 | C05 | C06 | C01 | 150.1° | 137.0° |
| C08 | C05 | C04 | H10 | 58.3° | 50.0° |
| C08 | C05 | C06 | H08 | 29.9° | 42.6° |
| C21 | C20 | C19 | H23 | 166.0° | 60.0° |
| C21 | C20 | C19 | H22 | 46.1° | 60.0° |
| C21 | C20 | H24 | H25 | 119.6° | 120.0° |
| C20 | C21 | H26 | H27 | 120.0° | 120.0° |
| C20 | C21 | H26 | H28 | 120.0° | 120.1° |
| C20 | C21 | H27 | H28 | 120.0° | 120.0° |
| C11 | C09 | C04 | C05 | 76.5° | 114.0° |
| C11 | C09 | C04 | C03 | 43.1° | 127.0° |
| C11 | C09 | C04 | H10 | 163.9° | 6.6° |
| C11 | C09 | C10 | H11 | 180.0° | 4.8° |
| C11 | C09 | C10 | H13 | 60.0° | 124.8° |
| C11 | C09 | C10 | H12 | 60.0° | 115.2° |
| C09 | C11 | H15 | H14 | 180.0° | 179.9° |
| C09 | C04 | C05 | C03 | 122.2° | 119.8° |
| C09 | C04 | C05 | H10 | 119.6° | 120.6° |
| C09 | C04 | C05 | C06 | 175.8° | 169.0° |
| C09 | C04 | C03 | H10 | 120.7° | 120.4° |
| C09 | C04 | C03 | C02 | 175.3° | 172.7° |
| C09 | C04 | C03 | H04 | 64.6° | 52.9° |
| C09 | C04 | C03 | H03 | 55.2° | 67.5° |
| C09 | C04 | C05 | H09 | 57.1° | 49.0° |
| C04 | C09 | C10 | H11 | 0.6° | 175.3° |
| C04 | C09 | C10 | H13 | 120.6° | 55.3° |
| C04 | C09 | C10 | H12 | 119.4° | 64.7° |
| C04 | C09 | C11 | H15 | 0.0° | 180.0° |
| C04 | C09 | C11 | H14 | 180.0° | 0.1° |
| C04 | C05 | C06 | H09 | 118.6° | 120.1° |
| C05 | C04 | C03 | H10 | 118.0° | 119.7° |
| C04 | C05 | C06 | C01 | 25.7° | 16.7° |
| C05 | C04 | C03 | C02 | 63.4° | 67.4° |
| C05 | C04 | C03 | H04 | 56.7° | 172.9° |
| C05 | C04 | C03 | H03 | 176.4° | 52.4° |
| C04 | C05 | C06 | H08 | 154.3° | 162.9° |
| C06 | C05 | C04 | C03 | 53.5° | 49.2° |
| C05 | C06 | C01 | H08 | 180.0° | 179.6° |
| C05 | C06 | C01 | C02 | 5.7° | 0.0° |
| C05 | C06 | C01 | C07 | 172.7° | 179.8° |
| C06 | C05 | C04 | H10 | 64.7° | 70.4° |
| C04 | C03 | C02 | H04 | 120.1° | 119.7° |
| C04 | C03 | C02 | H03 | 120.1° | 119.9° |
| C04 | C03 | C02 | C01 | 44.5° | 49.4° |
| C04 | C03 | C02 | H01 | 165.2° | 70.8° |
| C04 | C03 | C02 | H02 | 76.3° | 169.6° |
| C04 | C03 | H04 | H03 | 119.7° | 120.6° |
| C03 | C04 | C05 | H09 | 65.1° | 70.8° |
| C06 | C01 | C02 | C03 | 15.1° | 16.9° |
| C06 | C01 | C02 | C07 | 178.5° | 179.8° |
| C06 | C01 | C02 | H01 | 135.8° | 103.3° |
| C06 | C01 | C02 | H02 | 105.6° | 137.0° |
| C01 | C06 | C05 | H09 | 92.9° | 103.4° |
| C06 | C01 | C07 | H05 | 180.0° | 90.2° |
| C06 | C01 | C07 | H06 | 60.0° | 29.8° |
| C06 | C01 | C07 | H07 | 60.0° | 149.8° |
| C03 | C02 | C01 | H01 | 120.7° | 120.2° |
| C03 | C02 | C01 | H02 | 120.7° | 120.1° |
| C03 | C02 | C01 | C07 | 163.4° | 162.9° |
| C03 | C02 | H01 | H02 | 117.8° | 119.6° |
| C02 | C03 | H04 | H03 | 119.7° | 120.5° |
| C02 | C03 | C04 | H10 | 54.6° | 52.3° |
| C01 | C02 | H01 | H02 | 117.7° | 119.7° |
| C01 | C02 | C03 | H04 | 75.6° | 169.1° |
| C01 | C02 | C03 | H03 | 164.6° | 70.5° |
| C02 | C01 | C06 | H08 | 174.3° | 179.6° |
| C02 | C01 | C07 | H05 | 1.5° | 90.0° |
| C02 | C01 | C07 | H06 | 121.6° | 150.0° |
| C02 | C01 | C07 | H07 | 118.5° | 30.0° |
| C07 | C01 | C02 | H01 | 42.6° | 76.9° |
| C07 | C01 | C02 | H02 | 75.9° | 42.8° |
| C07 | C01 | C06 | H08 | 7.3° | 0.6° |
| C01 | C07 | H05 | H06 | 120.0° | 119.9° |
| C01 | C07 | H05 | H07 | 120.0° | 120.0° |
| C01 | C07 | H06 | H07 | 120.0° | 120.0° |
| H01 | C02 | C03 | H04 | 45.1° | 48.9° |
| H01 | C02 | C03 | H03 | 74.7° | 169.3° |
| H02 | C02 | C03 | H04 | 163.7° | 70.7° |
| H02 | C02 | C03 | H03 | 43.9° | 49.7° |
| H04 | C03 | C04 | H10 | 174.7° | 67.4° |
| H03 | C03 | C04 | H10 | 65.5° | 172.1° |
| H10 | C04 | C05 | H09 | 176.7° | 169.6° |
| H09 | C05 | C06 | H08 | 87.1° | 77.0° |
| H05 | C07 | H06 | H07 | 120.0° | 120.0° |
| H11 | C10 | H13 | H12 | 120.0° | 120.0° |
| H19 | C17 | C18 | H21 | 174.3° | 180.0° |
| H19 | C17 | C18 | H20 | 66.6° | 60.0° |
| H18 | C17 | C18 | H21 | 66.4° | 60.0° |
| H18 | C17 | C18 | H20 | 52.7° | 180.0° |
| H21 | C18 | C19 | H23 | 178.1° | 180.0° |
| H21 | C18 | C19 | H22 | 58.2° | 60.0° |
| H20 | C18 | C19 | H23 | 62.8° | 59.9° |
| H20 | C18 | C19 | H22 | 177.3° | 180.0° |
| H23 | C19 | C20 | H24 | 45.8° | 180.0° |
| H23 | C19 | C20 | H25 | 73.9° | 60.0° |
| H22 | C19 | C20 | H24 | 74.0° | 60.0° |
| H22 | C19 | C20 | H25 | 166.3° | 179.9° |
| H24 | C20 | C21 | H26 | 59.9° | 60.0° |
| H24 | C20 | C21 | H27 | 179.8° | 60.1° |
| H24 | C20 | C21 | H28 | 60.2° | 180.0° |
| H25 | C20 | C21 | H26 | 59.8° | 180.0° |
| H25 | C20 | C21 | H27 | 60.1° | 60.0° |
| H25 | C20 | C21 | H28 | 179.9° | 59.9° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
