AV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| O7 | C21 | sing | 1.36Å | 1.40Å | |
| C2 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.25Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.50Å | Aromatic |
| O6 | C19 | sing | 1.35Å | 1.42Å | |
| C3 | C4 | doub | 1.36Å | 1.24Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.31Å | Aromatic |
| C20 | C5 | doub | 1.42Å | 1.56Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| O5 | C17 | doub | 1.21Å | 1.36Å | |
| C5 | C6 | sing | 1.41Å | 1.52Å | Aromatic |
| O3 | C15 | doub | 1.21Å | 1.37Å | |
| C18 | C17 | sing | 1.47Å | 1.48Å | |
| C18 | C8 | sing | 1.41Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| N2 | C14 | sing | 1.35Å | 1.44Å | |
| C6 | C8 | doub | 1.36Å | 1.53Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C13 | sing | 1.46Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C16 | O4 | sing | 1.43Å | 1.40Å | |
| C16 | C10 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.47Å | 1.50Å | |
| C14 | O2 | doub | 1.22Å | 1.23Å | |
| C13 | C12 | doub | 1.37Å | 1.35Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.50Å | 1.49Å | |
| C12 | O1 | sing | 1.34Å | 1.37Å | |
| C11 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | H14 | sing | 1.01Å | 1.00Å | |
| N1 | H21 | sing | 1.01Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| O6 | H19 | sing | 0.97Å | 0.95Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C21 | 117.3° | 119.7° |
| C1 | C2 | C3 | 120.0° | 119.7° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| O7 | C21 | C2 | 122.9° | 120.3° |
| O7 | C21 | C20 | 113.5° | 120.3° |
| C21 | O7 | H20 | 109.5° | 114.0° |
| C21 | C2 | C3 | 122.7° | 120.7° |
| C2 | C21 | C20 | 123.6° | 119.4° |
| C2 | C3 | C4 | 123.6° | 121.1° |
| C2 | C3 | H4 | 118.2° | 119.5° |
| C21 | C20 | C19 | 139.6° | 121.2° |
| C21 | C20 | C5 | 105.1° | 119.5° |
| O6 | C19 | C20 | 107.4° | 120.3° |
| O6 | C19 | C18 | 118.6° | 120.4° |
| C19 | O6 | H19 | 109.5° | 114.0° |
| C3 | C4 | C5 | 123.1° | 120.0° |
| C3 | C4 | H5 | 118.5° | 120.0° |
| C4 | C3 | H4 | 118.2° | 119.4° |
| C19 | C20 | C5 | 115.2° | 119.3° |
| C20 | C19 | C18 | 133.9° | 119.3° |
| C20 | C5 | C4 | 121.8° | 119.3° |
| C20 | C5 | C6 | 112.4° | 119.8° |
| C19 | C18 | C17 | 120.3° | 119.3° |
| C19 | C18 | C8 | 118.9° | 120.8° |
| C4 | C5 | C6 | 125.8° | 120.9° |
| C5 | C4 | H5 | 118.4° | 119.9° |
| O5 | C17 | C18 | 123.7° | 121.0° |
| O5 | C17 | C16 | 117.1° | 121.1° |
| C5 | C6 | C8 | 121.4° | 120.7° |
| C5 | C6 | C7 | 122.8° | 119.7° |
| O3 | C15 | C16 | 121.8° | 121.3° |
| O3 | C15 | C13 | 119.2° | 121.6° |
| C17 | C18 | C8 | 120.7° | 119.9° |
| C18 | C17 | C16 | 118.9° | 117.9° |
| C18 | C8 | C6 | 118.1° | 120.1° |
| C18 | C8 | C9 | 120.6° | 121.4° |
| C17 | C16 | C15 | 111.1° | 109.2° |
| C17 | C16 | O4 | 108.4° | 109.8° |
| C17 | C16 | C10 | 108.6° | 107.5° |
| N2 | C14 | C13 | 119.7° | 120.0° |
| N2 | C14 | O2 | 118.9° | 120.0° |
| C14 | N2 | H16 | 120.0° | 120.0° |
| C14 | N2 | H15 | 120.0° | 120.0° |
| C8 | C6 | C7 | 115.8° | 119.6° |
| C6 | C8 | C9 | 121.3° | 118.5° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C6 | C7 | H8 | 109.5° | 109.4° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C16 | C15 | C13 | 118.9° | 117.1° |
| C15 | C16 | O4 | 107.8° | 110.8° |
| C15 | C16 | C10 | 108.9° | 107.0° |
| C15 | C13 | C14 | 121.8° | 119.8° |
| C15 | C13 | C12 | 117.7° | 120.3° |
| C8 | C9 | C10 | 115.4° | 111.5° |
| C8 | C9 | H10 | 108.0° | 109.1° |
| C8 | C9 | H9 | 108.0° | 109.1° |
| O4 | C16 | C10 | 112.0° | 112.4° |
| C16 | O4 | H18 | 109.5° | 114.0° |
| C16 | C10 | C9 | 110.2° | 108.9° |
| C16 | C10 | C11 | 106.0° | 108.2° |
| C16 | C10 | H11 | 108.3° | 110.6° |
| C13 | C14 | O2 | 121.4° | 120.0° |
| C14 | C13 | C12 | 120.4° | 119.9° |
| C13 | C12 | C11 | 122.1° | 122.6° |
| C13 | C12 | O1 | 119.0° | 118.7° |
| C9 | C10 | C11 | 114.9° | 109.1° |
| C9 | C10 | H11 | 108.7° | 110.0° |
| C10 | C9 | H10 | 108.0° | 109.1° |
| C10 | C9 | H9 | 108.0° | 109.0° |
| C10 | C11 | C12 | 112.1° | 110.6° |
| C10 | C11 | N1 | 108.5° | 109.2° |
| C11 | C10 | H11 | 108.5° | 110.1° |
| C10 | C11 | H12 | 108.6° | 109.3° |
| C11 | C12 | O1 | 118.8° | 118.7° |
| C12 | C11 | N1 | 109.6° | 109.2° |
| C12 | C11 | H12 | 108.9° | 109.2° |
| C12 | O1 | H17 | 109.5° | 117.0° |
| C11 | N1 | H14 | 109.5° | 111.0° |
| C11 | N1 | H21 | 109.5° | 110.9° |
| N1 | C11 | H12 | 109.1° | 109.2° |
| H14 | N1 | H21 | 109.4° | 111.1° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H6 | 109.5° | 109.5° |
| H8 | C7 | H6 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.4° | 109.1° |
| H16 | N2 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C21 | O7 | 0.1° | 0.0° |
| C1 | C2 | C21 | C3 | 179.2° | 179.6° |
| C1 | C2 | C21 | C20 | 178.7° | 180.0° |
| C1 | C2 | C3 | C4 | 178.4° | 179.7° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 1.6° | 0.0° |
| O7 | C21 | C2 | C20 | 178.8° | 180.0° |
| O7 | C21 | C2 | C3 | 179.2° | 179.7° |
| O7 | C21 | C20 | C19 | 0.6° | 0.1° |
| O7 | C21 | C20 | C5 | 179.5° | 180.0° |
| C21 | C2 | C3 | C4 | 2.4° | 0.6° |
| C2 | C21 | C20 | C19 | 179.5° | 179.9° |
| C2 | C21 | C20 | C5 | 1.6° | 0.0° |
| C21 | C2 | C1 | H2 | 89.6° | 90.0° |
| C21 | C2 | C1 | H3 | 150.4° | 150.0° |
| C21 | C2 | C1 | H1 | 30.4° | 30.0° |
| C21 | C2 | C3 | H4 | 177.6° | 179.7° |
| C2 | C21 | O7 | H20 | 180.0° | 90.1° |
| C3 | C2 | C21 | C20 | 2.0° | 0.4° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 2.6° | 0.5° |
| C2 | C3 | C4 | H5 | 177.4° | 179.7° |
| C3 | C2 | C1 | H2 | 89.6° | 89.7° |
| C3 | C2 | C1 | H3 | 30.4° | 30.3° |
| C3 | C2 | C1 | H1 | 150.4° | 150.3° |
| C21 | C20 | C19 | O6 | 1.7° | 0.2° |
| C21 | C20 | C19 | C5 | 178.8° | 179.9° |
| C21 | C20 | C19 | C18 | 178.1° | 179.9° |
| C21 | C20 | C5 | C4 | 1.7° | 0.1° |
| C21 | C20 | C5 | C6 | 179.7° | 179.9° |
| C20 | C21 | O7 | H20 | 1.1° | 90.0° |
| O6 | C19 | C20 | C18 | 176.4° | 179.9° |
| O6 | C19 | C20 | C5 | 177.1° | 179.9° |
| O6 | C19 | C18 | C17 | 6.1° | 0.1° |
| O6 | C19 | C18 | C8 | 178.5° | 180.0° |
| C3 | C4 | C5 | C20 | 2.4° | 0.2° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 180.0° | 179.9° |
| C19 | C20 | C5 | C4 | 179.1° | 180.0° |
| C19 | C20 | C5 | C6 | 1.1° | 0.0° |
| C20 | C19 | C18 | C17 | 177.8° | 179.8° |
| C20 | C19 | C18 | C8 | 2.4° | 0.2° |
| C20 | C19 | O6 | H19 | 179.2° | 90.0° |
| C5 | C20 | C19 | C18 | 0.7° | 0.0° |
| C20 | C5 | C4 | C6 | 177.6° | 180.0° |
| C20 | C5 | C6 | C8 | 1.4° | 0.1° |
| C20 | C5 | C6 | C7 | 179.6° | 179.9° |
| C20 | C5 | C4 | H5 | 177.6° | 180.0° |
| C19 | C18 | C17 | O5 | 8.7° | 11.5° |
| C19 | C18 | C17 | C8 | 175.4° | 180.0° |
| C19 | C18 | C17 | C16 | 164.9° | 168.5° |
| C19 | C18 | C8 | C6 | 1.8° | 0.3° |
| C19 | C18 | C8 | C9 | 179.1° | 179.5° |
| C18 | C19 | O6 | H19 | 2.1° | 90.1° |
| C4 | C5 | C6 | C8 | 179.2° | 179.9° |
| C4 | C5 | C6 | C7 | 1.8° | 0.1° |
| C5 | C4 | C3 | H4 | 177.4° | 179.8° |
| O5 | C17 | C18 | C16 | 173.5° | 180.0° |
| O5 | C17 | C18 | C8 | 176.0° | 168.5° |
| O5 | C17 | C16 | C15 | 95.1° | 107.1° |
| O5 | C17 | C16 | O4 | 23.2° | 14.6° |
| O5 | C17 | C16 | C10 | 145.2° | 137.2° |
| C5 | C6 | C8 | C18 | 0.0° | 0.3° |
| C5 | C6 | C8 | C7 | 179.0° | 180.0° |
| C5 | C6 | C8 | C9 | 179.1° | 179.5° |
| C6 | C5 | C4 | H5 | 0.0° | 0.1° |
| C5 | C6 | C7 | H7 | 89.4° | 90.0° |
| C5 | C6 | C7 | H8 | 150.6° | 150.0° |
| C5 | C6 | C7 | H6 | 30.6° | 30.0° |
| O3 | C15 | C16 | C17 | 27.2° | 19.9° |
| O3 | C15 | C16 | C13 | 178.1° | 178.8° |
| O3 | C15 | C16 | O4 | 91.5° | 101.3° |
| O3 | C15 | C16 | C10 | 146.8° | 136.0° |
| O3 | C15 | C13 | C14 | 7.7° | 11.3° |
| O3 | C15 | C13 | C12 | 176.0° | 167.5° |
| C17 | C18 | C8 | C6 | 177.2° | 179.6° |
| C18 | C17 | C16 | C15 | 78.8° | 72.9° |
| C17 | C18 | C8 | C9 | 3.7° | 0.5° |
| C18 | C17 | C16 | O4 | 162.9° | 165.4° |
| C18 | C17 | C16 | C10 | 40.9° | 42.8° |
| C8 | C18 | C17 | C16 | 10.5° | 11.5° |
| C18 | C8 | C6 | C9 | 179.1° | 179.8° |
| C18 | C8 | C6 | C7 | 179.0° | 179.7° |
| C18 | C8 | C9 | C10 | 15.2° | 22.8° |
| C18 | C8 | C9 | H10 | 105.7° | 97.7° |
| C18 | C8 | C9 | H9 | 136.1° | 143.3° |
| C17 | C16 | C15 | O4 | 118.7° | 121.1° |
| C17 | C16 | C15 | C10 | 119.6° | 116.1° |
| C17 | C16 | C15 | C13 | 154.7° | 161.3° |
| C17 | C16 | O4 | C10 | 119.9° | 119.6° |
| C17 | C16 | C10 | C9 | 57.1° | 64.1° |
| C17 | C16 | C10 | C11 | 177.9° | 177.5° |
| C17 | C16 | C10 | H11 | 61.7° | 56.9° |
| C17 | C16 | O4 | H18 | 11.3° | 60.7° |
| N2 | C14 | C13 | C15 | 13.4° | 105.4° |
| N2 | C14 | C13 | O2 | 178.3° | 179.9° |
| N2 | C14 | C13 | C12 | 170.4° | 75.7° |
| C14 | N2 | H16 | H15 | 180.0° | 179.9° |
| C6 | C8 | C9 | C10 | 163.8° | 157.3° |
| C8 | C6 | C7 | H7 | 89.6° | 90.0° |
| C8 | C6 | C7 | H8 | 30.4° | 30.0° |
| C8 | C6 | C7 | H6 | 150.4° | 150.0° |
| C6 | C8 | C9 | H10 | 75.3° | 82.1° |
| C6 | C8 | C9 | H9 | 43.0° | 36.9° |
| C7 | C6 | C8 | C9 | 0.1° | 0.5° |
| C6 | C7 | H7 | H8 | 120.0° | 120.0° |
| C6 | C7 | H7 | H6 | 120.0° | 120.0° |
| C6 | C7 | H8 | H6 | 120.0° | 120.0° |
| C15 | C16 | O4 | C10 | 119.8° | 119.6° |
| C16 | C15 | C13 | C14 | 170.4° | 167.5° |
| C16 | C15 | C13 | C12 | 5.9° | 13.7° |
| C15 | C16 | C10 | C9 | 64.0° | 53.1° |
| C15 | C16 | C10 | C11 | 61.0° | 65.3° |
| C15 | C16 | C10 | H11 | 177.2° | 174.1° |
| C15 | C16 | O4 | H18 | 109.0° | 60.0° |
| C13 | C15 | C16 | O4 | 86.6° | 77.5° |
| C13 | C15 | C16 | C10 | 35.2° | 45.3° |
| C15 | C13 | C14 | C12 | 176.3° | 178.8° |
| C15 | C13 | C14 | O2 | 168.4° | 74.5° |
| C15 | C13 | C12 | C11 | 4.8° | 1.4° |
| C15 | C13 | C12 | O1 | 173.0° | 178.6° |
| C8 | C9 | C10 | C16 | 46.1° | 54.6° |
| C8 | C9 | C10 | H10 | 120.9° | 120.5° |
| C8 | C9 | C10 | H9 | 120.9° | 120.5° |
| C8 | C9 | C10 | C11 | 165.8° | 172.5° |
| C8 | C9 | C10 | H11 | 72.5° | 66.7° |
| C8 | C9 | H10 | H9 | 117.3° | 119.0° |
| O4 | C16 | C10 | C9 | 176.8° | 174.9° |
| O4 | C16 | C10 | C11 | 58.2° | 56.5° |
| O4 | C16 | C10 | H11 | 58.0° | 64.1° |
| C16 | C10 | C9 | C11 | 119.7° | 117.9° |
| C16 | C10 | C9 | H11 | 118.5° | 121.3° |
| C16 | C10 | C11 | H11 | 116.1° | 120.9° |
| C16 | C10 | C11 | C12 | 61.6° | 54.3° |
| C16 | C10 | C11 | N1 | 177.2° | 174.6° |
| C16 | C10 | C11 | H12 | 58.7° | 66.0° |
| C16 | C10 | C9 | H10 | 74.8° | 65.9° |
| C16 | C10 | C9 | H9 | 167.0° | 175.1° |
| C10 | C16 | O4 | H18 | 131.2° | 179.6° |
| C14 | C13 | C12 | C11 | 171.6° | 179.8° |
| C14 | C13 | C12 | O1 | 10.5° | 0.2° |
| C13 | C14 | N2 | H16 | 178.3° | 5.1° |
| C13 | C14 | N2 | H15 | 1.7° | 175.0° |
| O2 | C14 | C13 | C12 | 7.9° | 104.4° |
| O2 | C14 | N2 | H16 | 0.0° | 174.9° |
| O2 | C14 | N2 | H15 | 180.0° | 5.0° |
| C13 | C12 | C11 | C10 | 34.1° | 22.6° |
| C13 | C12 | C11 | O1 | 177.8° | 180.0° |
| C13 | C12 | C11 | N1 | 154.6° | 142.9° |
| C13 | C12 | C11 | H12 | 86.1° | 97.7° |
| C13 | C12 | O1 | H17 | 13.2° | 5.3° |
| C9 | C10 | C11 | H11 | 121.9° | 120.8° |
| C9 | C10 | C11 | C12 | 60.3° | 64.0° |
| C9 | C10 | C11 | N1 | 60.9° | 56.2° |
| C9 | C10 | C11 | H12 | 179.3° | 175.7° |
| C10 | C9 | H10 | H9 | 117.3° | 119.0° |
| C10 | C11 | C12 | N1 | 120.5° | 120.3° |
| C10 | C11 | C12 | H12 | 120.2° | 120.3° |
| C10 | C11 | C12 | O1 | 143.8° | 157.4° |
| C10 | C11 | N1 | H12 | 118.2° | 119.5° |
| C10 | C11 | N1 | H14 | 180.0° | 180.0° |
| C10 | C11 | N1 | H21 | 60.0° | 56.0° |
| C11 | C10 | C9 | H10 | 44.9° | 52.0° |
| C11 | C10 | C9 | H9 | 73.4° | 67.1° |
| C12 | C11 | N1 | H12 | 119.2° | 119.4° |
| C12 | C11 | N1 | H14 | 57.3° | 58.9° |
| C12 | C11 | N1 | H21 | 62.7° | 65.1° |
| C12 | C11 | C10 | H11 | 177.8° | 175.2° |
| C11 | C12 | O1 | H17 | 168.9° | 174.7° |
| O1 | C12 | C11 | N1 | 23.2° | 37.1° |
| O1 | C12 | C11 | H12 | 96.0° | 82.3° |
| C11 | N1 | H14 | H21 | 120.0° | 123.9° |
| N1 | C11 | C10 | H11 | 61.1° | 64.5° |
| H14 | N1 | C11 | H12 | 61.9° | 60.5° |
| H21 | N1 | C11 | H12 | 178.1° | 175.5° |
| H5 | C4 | C3 | H4 | 2.6° | 0.0° |
| H7 | C7 | H8 | H6 | 120.0° | 120.1° |
| H11 | C10 | C11 | H12 | 57.4° | 54.9° |
| H11 | C10 | C9 | H10 | 166.7° | 172.8° |
| H11 | C10 | C9 | H9 | 48.4° | 53.8° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
