AKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C5 | doub | 1.22Å | 1.25Å | |
| C5 | C17 | sing | 1.48Å | 1.41Å | |
| C5 | C16 | sing | 1.48Å | 1.40Å | |
| C17 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | O21 | sing | 1.36Å | 1.36Å | |
| C6 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C16 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | O19 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | C12 | sing | 1.48Å | 1.40Å | |
| C12 | O18 | doub | 1.22Å | 1.26Å | |
| C12 | C18 | sing | 1.48Å | 1.40Å | |
| C18 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | C10 | sing | 1.51Å | 1.49Å | |
| C19 | C20 | sing | 1.38Å | 1.51Å | Aromatic |
| C10 | C14 | sing | 1.51Å | 1.42Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C14 | O16 | sing | 1.34Å | 1.46Å | |
| C14 | O17 | doub | 1.21Å | 1.22Å | |
| O16 | C15 | sing | 1.45Å | 1.43Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C20 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | O22 | sing | 1.43Å | 1.40Å | |
| C7 | C8 | sing | 1.53Å | 1.48Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C8 | C9 | sing | 1.53Å | 1.43Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | O23 | sing | 1.43Å | 1.29Å | |
| C9 | C13 | sing | 1.53Å | 1.40Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C13 | C22 | sing | 1.53Å | 1.42Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C5 | C17 | 119.7° | 120.4° |
| O20 | C5 | C16 | 119.1° | 120.3° |
| C17 | C5 | C16 | 121.2° | 119.3° |
| C5 | C17 | C6 | 120.7° | 120.6° |
| C5 | C17 | C18 | 118.6° | 119.7° |
| C5 | C16 | C4 | 121.1° | 120.6° |
| C5 | C16 | C21 | 119.5° | 119.7° |
| C6 | C17 | C18 | 120.6° | 119.7° |
| C17 | C6 | O21 | 119.6° | 120.2° |
| C17 | C6 | C20 | 121.5° | 119.6° |
| C17 | C18 | C12 | 120.4° | 119.6° |
| C17 | C18 | C11 | 120.1° | 119.8° |
| O21 | C6 | C20 | 118.9° | 120.2° |
| C6 | O21 | H21 | 109.5° | 106.8° |
| C6 | C20 | C19 | 117.1° | 120.4° |
| C6 | C20 | C7 | 122.7° | 119.8° |
| C4 | C16 | C21 | 119.4° | 119.7° |
| C16 | C4 | O19 | 120.3° | 120.2° |
| C16 | C4 | C3 | 120.7° | 119.6° |
| C16 | C21 | C1 | 119.8° | 119.8° |
| C16 | C21 | C12 | 119.8° | 119.6° |
| O19 | C4 | C3 | 119.0° | 120.2° |
| C4 | O19 | H19 | 109.5° | 106.8° |
| C4 | C3 | C2 | 119.5° | 120.4° |
| C4 | C3 | H3 | 120.2° | 119.8° |
| C2 | C3 | H3 | 120.3° | 119.8° |
| C3 | C2 | C1 | 120.2° | 120.6° |
| C3 | C2 | H2 | 119.9° | 119.7° |
| C1 | C2 | H2 | 119.9° | 119.7° |
| C2 | C1 | C21 | 120.4° | 119.9° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C21 | C1 | H1 | 119.8° | 120.0° |
| C1 | C21 | C12 | 120.4° | 120.6° |
| C21 | C12 | O18 | 119.3° | 120.5° |
| C21 | C12 | C18 | 120.5° | 119.2° |
| O18 | C12 | C18 | 120.2° | 120.4° |
| C12 | C18 | C11 | 119.5° | 120.6° |
| C18 | C11 | C19 | 121.3° | 119.9° |
| C18 | C11 | H11 | 119.3° | 120.0° |
| C19 | C11 | H11 | 119.4° | 120.1° |
| C11 | C19 | C10 | 118.7° | 119.7° |
| C11 | C19 | C20 | 119.3° | 120.6° |
| C10 | C19 | C20 | 122.1° | 119.7° |
| C19 | C10 | C14 | 112.7° | 109.5° |
| C19 | C10 | H101 | 107.7° | 109.5° |
| C19 | C10 | H102 | 108.4° | 109.5° |
| C19 | C20 | C7 | 120.2° | 119.8° |
| C14 | C10 | H101 | 107.7° | 109.4° |
| C14 | C10 | H102 | 108.4° | 109.5° |
| C10 | C14 | O16 | 119.7° | 120.0° |
| C10 | C14 | O17 | 119.2° | 120.0° |
| H101 | C10 | H102 | 112.0° | 109.5° |
| O16 | C14 | O17 | 119.2° | 120.0° |
| C14 | O16 | C15 | 110.6° | 120.0° |
| O16 | C15 | H151 | 109.5° | 109.5° |
| O16 | C15 | H152 | 109.5° | 109.5° |
| O16 | C15 | H153 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.4° | 109.5° |
| C20 | C7 | O22 | 110.1° | 109.5° |
| C20 | C7 | C8 | 118.0° | 109.5° |
| C20 | C7 | H7 | 102.0° | 109.5° |
| O22 | C7 | C8 | 106.2° | 109.5° |
| O22 | C7 | H7 | 114.7° | 109.5° |
| C7 | O22 | H22 | 109.5° | 106.8° |
| C8 | C7 | H7 | 106.2° | 109.4° |
| C7 | C8 | C9 | 111.0° | 109.5° |
| C7 | C8 | H81 | 108.6° | 109.4° |
| C7 | C8 | H82 | 109.0° | 109.5° |
| C9 | C8 | H81 | 108.7° | 109.5° |
| C9 | C8 | H82 | 108.9° | 109.5° |
| C8 | C9 | O23 | 120.3° | 109.5° |
| C8 | C9 | C13 | 121.5° | 109.5° |
| C8 | C9 | H9 | 77.2° | 109.5° |
| H81 | C8 | H82 | 110.7° | 109.4° |
| O23 | C9 | C13 | 117.8° | 109.5° |
| O23 | C9 | H9 | 104.2° | 109.5° |
| C9 | O23 | H23 | 109.5° | 106.8° |
| C13 | C9 | H9 | 95.5° | 109.4° |
| C9 | C13 | C22 | 109.7° | 109.5° |
| C9 | C13 | H131 | 109.4° | 109.5° |
| C9 | C13 | H132 | 109.4° | 109.5° |
| C22 | C13 | H131 | 109.3° | 109.5° |
| C22 | C13 | H132 | 109.4° | 109.5° |
| C13 | C22 | H221 | 109.5° | 109.5° |
| C13 | C22 | H222 | 109.5° | 109.5° |
| C13 | C22 | H223 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.6° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.4° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C5 | C17 | C16 | 179.8° | 180.0° |
| O20 | C5 | C17 | C6 | 0.1° | 13.7° |
| O20 | C5 | C17 | C18 | 179.7° | 166.4° |
| O20 | C5 | C16 | C4 | 0.1° | 13.8° |
| O20 | C5 | C16 | C21 | 179.5° | 166.3° |
| C5 | C17 | C6 | C18 | 179.8° | 179.9° |
| C5 | C17 | C6 | O21 | 0.2° | 0.1° |
| C5 | C17 | C6 | C20 | 179.5° | 179.9° |
| C17 | C5 | C16 | C4 | 179.8° | 166.1° |
| C17 | C5 | C16 | C21 | 0.3° | 13.7° |
| C5 | C17 | C18 | C12 | 0.0° | 0.1° |
| C5 | C17 | C18 | C11 | 179.9° | 179.9° |
| C16 | C5 | C17 | C6 | 180.0° | 166.3° |
| C16 | C5 | C17 | C18 | 0.1° | 13.6° |
| C5 | C16 | C4 | C21 | 179.5° | 179.9° |
| C5 | C16 | C4 | O19 | 0.2° | 0.0° |
| C5 | C16 | C4 | C3 | 179.9° | 180.0° |
| C5 | C16 | C21 | C1 | 180.0° | 179.9° |
| C5 | C16 | C21 | C12 | 0.3° | 0.1° |
| C17 | C6 | O21 | C20 | 179.3° | 180.0° |
| C17 | C6 | O21 | H21 | 179.9° | 90.0° |
| C6 | C17 | C18 | C12 | 179.9° | 179.9° |
| C6 | C17 | C18 | C11 | 0.3° | 0.0° |
| C17 | C6 | C20 | C19 | 1.0° | 0.3° |
| C17 | C6 | C20 | C7 | 179.6° | 180.0° |
| C18 | C17 | C6 | O21 | 179.9° | 180.0° |
| C18 | C17 | C6 | C20 | 0.6° | 0.0° |
| C17 | C18 | C12 | C21 | 0.1° | 13.8° |
| C17 | C18 | C12 | O18 | 179.7° | 166.3° |
| C17 | C18 | C12 | C11 | 179.8° | 179.9° |
| C17 | C18 | C11 | C19 | 0.4° | 0.3° |
| C17 | C18 | C11 | H11 | 179.6° | 179.9° |
| O21 | C6 | C20 | C19 | 179.7° | 179.7° |
| O21 | C6 | C20 | C7 | 1.1° | 0.0° |
| C20 | C6 | O21 | H21 | 0.8° | 90.0° |
| C6 | C20 | C19 | C11 | 1.1° | 0.6° |
| C6 | C20 | C19 | C10 | 179.8° | 180.0° |
| C6 | C20 | C19 | C7 | 178.6° | 179.7° |
| C6 | C20 | C7 | O22 | 159.1° | 46.5° |
| C6 | C20 | C7 | C8 | 37.0° | 73.5° |
| C6 | C20 | C7 | H7 | 78.8° | 166.6° |
| C16 | C4 | O19 | C3 | 179.6° | 179.9° |
| C16 | C4 | O19 | H19 | 0.6° | 90.1° |
| C16 | C4 | C3 | C2 | 0.6° | 0.1° |
| C16 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C16 | C21 | C1 | 0.4° | 0.2° |
| C4 | C16 | C21 | C12 | 179.8° | 179.8° |
| C21 | C16 | C4 | O19 | 179.7° | 179.9° |
| C21 | C16 | C4 | C3 | 0.7° | 0.2° |
| C16 | C21 | C1 | C2 | 0.2° | 0.1° |
| C16 | C21 | C1 | C12 | 179.7° | 180.0° |
| C16 | C21 | C1 | H1 | 179.8° | 179.9° |
| C16 | C21 | C12 | O18 | 179.5° | 166.4° |
| C16 | C21 | C12 | C18 | 0.2° | 13.7° |
| O19 | C4 | C3 | C2 | 179.8° | 180.0° |
| O19 | C4 | C3 | H3 | 0.2° | 0.0° |
| C3 | C4 | O19 | H19 | 179.8° | 90.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C4 | C3 | C2 | H2 | 179.6° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C21 | 0.2° | 0.1° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| H3 | C3 | C2 | C1 | 179.7° | 180.0° |
| H3 | C3 | C2 | H2 | 0.3° | 0.1° |
| C2 | C1 | C21 | H1 | 180.0° | 179.9° |
| C2 | C1 | C21 | C12 | 179.9° | 179.9° |
| H2 | C2 | C1 | C21 | 179.8° | 180.0° |
| H2 | C2 | C1 | H1 | 0.1° | 0.0° |
| C1 | C21 | C12 | O18 | 0.2° | 13.6° |
| C1 | C21 | C12 | C18 | 179.9° | 166.3° |
| H1 | C1 | C21 | C12 | 0.1° | 0.1° |
| C21 | C12 | O18 | C18 | 179.7° | 179.9° |
| C21 | C12 | C18 | C11 | 179.9° | 166.3° |
| O18 | C12 | C18 | C11 | 0.2° | 13.6° |
| C12 | C18 | C11 | C19 | 179.7° | 179.8° |
| C12 | C18 | C11 | H11 | 0.3° | 0.0° |
| C18 | C11 | C19 | H11 | 180.0° | 179.7° |
| C18 | C11 | C19 | C10 | 179.6° | 180.0° |
| C18 | C11 | C19 | C20 | 0.9° | 0.6° |
| C11 | C19 | C10 | C20 | 178.7° | 179.4° |
| C11 | C19 | C10 | C14 | 91.1° | 95.0° |
| C11 | C19 | C10 | H101 | 27.6° | 25.0° |
| C11 | C19 | C10 | H102 | 149.0° | 145.0° |
| C11 | C19 | C20 | C7 | 179.8° | 179.7° |
| H11 | C11 | C19 | C10 | 0.4° | 0.3° |
| H11 | C11 | C19 | C20 | 179.2° | 179.6° |
| C19 | C10 | C14 | H101 | 118.6° | 120.0° |
| C19 | C10 | C14 | H102 | 120.0° | 120.0° |
| C19 | C10 | H101 | H102 | 119.1° | 120.0° |
| C19 | C10 | C14 | O16 | 88.2° | 180.0° |
| C19 | C10 | C14 | O17 | 76.2° | 0.1° |
| C10 | C19 | C20 | C7 | 1.6° | 0.3° |
| C20 | C19 | C10 | C14 | 90.3° | 84.4° |
| C20 | C19 | C10 | H101 | 151.1° | 155.6° |
| C20 | C19 | C10 | H102 | 29.7° | 35.6° |
| C19 | C20 | C7 | O22 | 22.3° | 133.8° |
| C19 | C20 | C7 | C8 | 144.4° | 106.2° |
| C19 | C20 | C7 | H7 | 99.8° | 13.8° |
| C14 | C10 | H101 | H102 | 119.1° | 120.0° |
| C10 | C14 | O16 | O17 | 164.3° | 179.9° |
| C10 | C14 | O16 | C15 | 136.1° | 179.9° |
| H101 | C10 | C14 | O16 | 153.2° | 60.0° |
| H101 | C10 | C14 | O17 | 42.5° | 120.0° |
| H102 | C10 | C14 | O16 | 31.8° | 60.0° |
| H102 | C10 | C14 | O17 | 163.9° | 119.9° |
| C14 | O16 | C15 | H151 | 114.2° | 180.0° |
| C14 | O16 | C15 | H152 | 125.7° | 60.0° |
| C14 | O16 | C15 | H153 | 5.8° | 60.0° |
| O17 | C14 | O16 | C15 | 59.6° | 0.0° |
| O16 | C15 | H151 | H152 | 120.0° | 120.1° |
| O16 | C15 | H151 | H153 | 120.0° | 119.9° |
| O16 | C15 | H152 | H153 | 120.0° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| C20 | C7 | O22 | C8 | 128.8° | 120.0° |
| C20 | C7 | O22 | H7 | 114.3° | 120.0° |
| C20 | C7 | C8 | H7 | 113.5° | 120.0° |
| C20 | C7 | O22 | H22 | 3.8° | 68.2° |
| C20 | C7 | C8 | C9 | 169.8° | 175.0° |
| C20 | C7 | C8 | H81 | 50.4° | 65.0° |
| C20 | C7 | C8 | H82 | 70.2° | 55.0° |
| O22 | C7 | C8 | H7 | 122.5° | 120.0° |
| O22 | C7 | C8 | C9 | 45.8° | 65.0° |
| O22 | C7 | C8 | H81 | 73.6° | 55.0° |
| O22 | C7 | C8 | H82 | 165.8° | 174.9° |
| C8 | C7 | O22 | H22 | 125.0° | 51.8° |
| C7 | C8 | C9 | H81 | 119.3° | 120.0° |
| C7 | C8 | C9 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H82 | 119.6° | 120.0° |
| C7 | C8 | C9 | O23 | 15.6° | 65.0° |
| C7 | C8 | C9 | C13 | 172.1° | 175.0° |
| C7 | C8 | C9 | H9 | 83.6° | 55.0° |
| H7 | C7 | O22 | H22 | 118.1° | 171.8° |
| H7 | C7 | C8 | C9 | 76.7° | 55.0° |
| H7 | C7 | C8 | H81 | 163.9° | 175.0° |
| H7 | C7 | C8 | H82 | 43.3° | 65.0° |
| C9 | C8 | H81 | H82 | 119.6° | 120.0° |
| C8 | C9 | O23 | C13 | 172.6° | 120.0° |
| C8 | C9 | O23 | H9 | 83.3° | 120.0° |
| C8 | C9 | C13 | H9 | 78.3° | 120.0° |
| C8 | C9 | O23 | H23 | 98.3° | 60.0° |
| C8 | C9 | C13 | C22 | 172.9° | 175.0° |
| C8 | C9 | C13 | H131 | 53.0° | 55.0° |
| C8 | C9 | C13 | H132 | 67.1° | 65.0° |
| H81 | C8 | C9 | O23 | 134.9° | 175.0° |
| H81 | C8 | C9 | C13 | 52.8° | 55.0° |
| H81 | C8 | C9 | H9 | 35.8° | 65.0° |
| H82 | C8 | C9 | O23 | 104.5° | 55.0° |
| H82 | C8 | C9 | C13 | 67.8° | 65.0° |
| H82 | C8 | C9 | H9 | 156.4° | 175.0° |
| O23 | C9 | C13 | H9 | 109.2° | 120.0° |
| O23 | C9 | C13 | C22 | 14.6° | 65.0° |
| O23 | C9 | C13 | H131 | 134.5° | 175.0° |
| O23 | C9 | C13 | H132 | 105.4° | 55.0° |
| C13 | C9 | O23 | H23 | 89.2° | 60.0° |
| C9 | C13 | C22 | H131 | 119.9° | 120.0° |
| C9 | C13 | C22 | H132 | 120.0° | 120.0° |
| C9 | C13 | H131 | H132 | 119.9° | 120.0° |
| C9 | C13 | C22 | H221 | 172.7° | 60.0° |
| C9 | C13 | C22 | H222 | 67.2° | 60.0° |
| C9 | C13 | C22 | H223 | 52.8° | 180.0° |
| H9 | C9 | O23 | H23 | 15.0° | 180.0° |
| H9 | C9 | C13 | C22 | 94.6° | 55.0° |
| H9 | C9 | C13 | H131 | 25.3° | 65.0° |
| H9 | C9 | C13 | H132 | 145.4° | 175.0° |
| C22 | C13 | H131 | H132 | 120.0° | 120.0° |
| C13 | C22 | H221 | H222 | 120.0° | 120.0° |
| C13 | C22 | H221 | H223 | 120.0° | 120.1° |
| C13 | C22 | H222 | H223 | 120.0° | 120.1° |
| H131 | C13 | C22 | H221 | 52.8° | 60.0° |
| H131 | C13 | C22 | H222 | 172.9° | 180.0° |
| H131 | C13 | C22 | H223 | 67.1° | 60.0° |
| H132 | C13 | C22 | H221 | 67.3° | 180.0° |
| H132 | C13 | C22 | H222 | 52.8° | 60.1° |
| H132 | C13 | C22 | H223 | 172.8° | 60.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
