AF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C24 | sing | 1.39Å | 1.45Å | |
| C24 | N7 | doub | 1.32Å | 1.30Å | Aromatic |
| C24 | N8 | sing | 1.32Å | 1.37Å | Aromatic |
| N7 | C22 | sing | 1.33Å | 1.23Å | Aromatic |
| N8 | C23 | doub | 1.32Å | 1.42Å | Aromatic |
| C22 | N9 | sing | 1.39Å | 1.45Å | |
| C22 | C20 | doub | 1.40Å | 1.33Å | Aromatic |
| C23 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | O2 | sing | 1.36Å | 1.41Å | |
| O2 | C13 | sing | 1.36Å | 1.41Å | |
| C13 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | S1 | sing | 1.76Å | 1.82Å | |
| N6 | S1 | sing | 1.66Å | 1.71Å | |
| C14 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| O5 | S1 | doub | 1.42Å | 1.46Å | |
| C18 | O3 | sing | 1.36Å | 1.40Å | |
| S1 | O4 | doub | 1.42Å | 1.46Å | |
| O3 | C21 | sing | 1.43Å | 1.40Å | |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N9 | H3 | sing | 0.97Å | 1.00Å | |
| N9 | H4 | sing | 0.97Å | 1.00Å | |
| N10 | H5 | sing | 0.97Å | 1.00Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C24 | N7 | 116.5° | 119.1° |
| N10 | C24 | N8 | 117.1° | 119.1° |
| C24 | N10 | H5 | 109.5° | 120.0° |
| C24 | N10 | H6 | 109.5° | 120.0° |
| N7 | C24 | N8 | 126.3° | 121.7° |
| C24 | N7 | C22 | 117.3° | 120.7° |
| C24 | N8 | C23 | 116.2° | 121.0° |
| N7 | C22 | N9 | 117.1° | 120.5° |
| N7 | C22 | C20 | 124.7° | 119.0° |
| N8 | C23 | C20 | 113.4° | 119.2° |
| N8 | C23 | H19 | 123.3° | 120.4° |
| N9 | C22 | C20 | 118.3° | 120.5° |
| C22 | N9 | H3 | 109.5° | 120.0° |
| C22 | N9 | H4 | 109.4° | 120.0° |
| C22 | C20 | C23 | 122.1° | 118.4° |
| C22 | C20 | O2 | 117.9° | 120.8° |
| C23 | C20 | O2 | 120.0° | 120.8° |
| C20 | C23 | H19 | 123.3° | 120.4° |
| C20 | O2 | C13 | 114.7° | 118.0° |
| O2 | C13 | C19 | 122.2° | 120.0° |
| O2 | C13 | C12 | 118.9° | 120.0° |
| C19 | C13 | C12 | 118.9° | 119.9° |
| C13 | C19 | C15 | 121.0° | 120.0° |
| C13 | C19 | H15 | 119.5° | 120.0° |
| C13 | C12 | C11 | 120.4° | 120.0° |
| C13 | C12 | C14 | 120.2° | 120.0° |
| C16 | C11 | C12 | 110.4° | 109.5° |
| C16 | C11 | C17 | 108.9° | 109.5° |
| C16 | C11 | H7 | 109.4° | 109.4° |
| C11 | C16 | H9 | 109.5° | 109.4° |
| C11 | C16 | H10 | 109.5° | 109.5° |
| C11 | C16 | H11 | 109.5° | 109.5° |
| C12 | C11 | C17 | 109.3° | 109.5° |
| C11 | C12 | C14 | 119.4° | 120.0° |
| C12 | C11 | H7 | 109.4° | 109.5° |
| C17 | C11 | H7 | 109.4° | 109.5° |
| C11 | C17 | H12 | 109.5° | 109.5° |
| C11 | C17 | H13 | 109.5° | 109.5° |
| C11 | C17 | H14 | 109.5° | 109.4° |
| C19 | C15 | C18 | 119.7° | 120.0° |
| C19 | C15 | S1 | 119.8° | 120.0° |
| C15 | C19 | H15 | 119.5° | 120.0° |
| C12 | C14 | C18 | 120.6° | 120.0° |
| C12 | C14 | H8 | 119.7° | 120.0° |
| C18 | C15 | S1 | 120.6° | 120.0° |
| C15 | C18 | C14 | 119.7° | 120.0° |
| C15 | C18 | O3 | 120.7° | 120.0° |
| C15 | S1 | N6 | 109.6° | 107.2° |
| C15 | S1 | O5 | 112.1° | 106.4° |
| C15 | S1 | O4 | 112.2° | 106.4° |
| N6 | S1 | O5 | 111.0° | 106.4° |
| N6 | S1 | O4 | 111.3° | 106.5° |
| S1 | N6 | H1 | 109.5° | 120.0° |
| S1 | N6 | H2 | 109.5° | 120.0° |
| C14 | C18 | O3 | 119.6° | 120.0° |
| C18 | C14 | H8 | 119.7° | 120.0° |
| O5 | S1 | O4 | 100.5° | 123.2° |
| C18 | O3 | C21 | 114.7° | 117.0° |
| O3 | C21 | H16 | 109.5° | 109.4° |
| O3 | C21 | H17 | 109.5° | 109.5° |
| O3 | C21 | H18 | 109.5° | 109.4° |
| H1 | N6 | H2 | 109.5° | 120.0° |
| H3 | N9 | H4 | 109.5° | 119.9° |
| H5 | N10 | H6 | 109.5° | 120.1° |
| H9 | C16 | H10 | 109.4° | 109.5° |
| H9 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.4° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H18 | 109.4° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C24 | N7 | N8 | 179.7° | 180.0° |
| N10 | C24 | N7 | C22 | 179.8° | 180.0° |
| N10 | C24 | N8 | C23 | 179.7° | 180.0° |
| C24 | N10 | H5 | H6 | 120.0° | 180.0° |
| N7 | C24 | N8 | C23 | 0.6° | 0.0° |
| C24 | N7 | C22 | N9 | 179.7° | 179.9° |
| C24 | N7 | C22 | C20 | 1.0° | 0.0° |
| N7 | C24 | N10 | H5 | 0.0° | 0.0° |
| N7 | C24 | N10 | H6 | 120.0° | 180.0° |
| N8 | C24 | N7 | C22 | 0.5° | 0.0° |
| C24 | N8 | C23 | C20 | 1.1° | 0.0° |
| N8 | C24 | N10 | H5 | 179.7° | 180.0° |
| N8 | C24 | N10 | H6 | 59.7° | 0.0° |
| C24 | N8 | C23 | H19 | 178.9° | 179.9° |
| N7 | C22 | N9 | C20 | 179.4° | 179.9° |
| N7 | C22 | C20 | C23 | 1.6° | 0.0° |
| N7 | C22 | C20 | O2 | 180.0° | 180.0° |
| N7 | C22 | N9 | H3 | 0.0° | 0.1° |
| N7 | C22 | N9 | H4 | 120.0° | 180.0° |
| N8 | C23 | C20 | C22 | 1.5° | 0.0° |
| N8 | C23 | C20 | H19 | 180.0° | 180.0° |
| N8 | C23 | C20 | O2 | 179.9° | 180.0° |
| N9 | C22 | C20 | C23 | 179.0° | 179.9° |
| N9 | C22 | C20 | O2 | 0.7° | 0.1° |
| C22 | N9 | H3 | H4 | 120.0° | 179.9° |
| C22 | C20 | C23 | O2 | 178.3° | 180.0° |
| C22 | C20 | O2 | C13 | 124.9° | 85.7° |
| C20 | C22 | N9 | H3 | 179.4° | 180.0° |
| C20 | C22 | N9 | H4 | 60.6° | 0.1° |
| C22 | C20 | C23 | H19 | 178.5° | 180.0° |
| C23 | C20 | O2 | C13 | 56.7° | 94.3° |
| C20 | O2 | C13 | C19 | 30.0° | 5.3° |
| C20 | O2 | C13 | C12 | 151.2° | 174.7° |
| O2 | C20 | C23 | H19 | 0.1° | 0.0° |
| O2 | C13 | C19 | C12 | 178.8° | 180.0° |
| O2 | C13 | C12 | C11 | 1.0° | 0.1° |
| O2 | C13 | C19 | C15 | 179.9° | 180.0° |
| O2 | C13 | C12 | C14 | 179.7° | 179.8° |
| O2 | C13 | C19 | H15 | 0.1° | 0.0° |
| C19 | C13 | C12 | C11 | 179.8° | 179.9° |
| C13 | C19 | C15 | H15 | 180.0° | 179.9° |
| C19 | C13 | C12 | C14 | 0.9° | 0.3° |
| C13 | C19 | C15 | C18 | 0.7° | 0.3° |
| C13 | C19 | C15 | S1 | 179.2° | 180.0° |
| C13 | C12 | C11 | C16 | 85.8° | 120.3° |
| C13 | C12 | C11 | C14 | 179.3° | 179.7° |
| C13 | C12 | C11 | C17 | 154.5° | 119.7° |
| C12 | C13 | C19 | C15 | 1.1° | 0.0° |
| C13 | C12 | C14 | C18 | 0.4° | 0.3° |
| C13 | C12 | C11 | H7 | 34.7° | 0.3° |
| C13 | C12 | C14 | H8 | 179.6° | 179.7° |
| C12 | C13 | C19 | H15 | 178.9° | 180.0° |
| C16 | C11 | C12 | C17 | 119.7° | 120.0° |
| C16 | C11 | C12 | H7 | 120.5° | 120.0° |
| C16 | C11 | C17 | H7 | 119.6° | 120.0° |
| C16 | C11 | C12 | C14 | 94.9° | 60.0° |
| C11 | C16 | H9 | H10 | 120.0° | 120.0° |
| C11 | C16 | H9 | H11 | 120.0° | 120.0° |
| C11 | C16 | H10 | H11 | 120.0° | 120.0° |
| C16 | C11 | C17 | H12 | 180.0° | 60.0° |
| C16 | C11 | C17 | H13 | 60.0° | 180.0° |
| C16 | C11 | C17 | H14 | 60.0° | 60.0° |
| C12 | C11 | C17 | H7 | 119.8° | 120.0° |
| C11 | C12 | C14 | C18 | 179.7° | 180.0° |
| C11 | C12 | C14 | H8 | 0.3° | 0.0° |
| C12 | C11 | C16 | H9 | 180.0° | 60.0° |
| C12 | C11 | C16 | H10 | 60.0° | 180.0° |
| C12 | C11 | C16 | H11 | 60.0° | 60.0° |
| C12 | C11 | C17 | H12 | 59.4° | 60.0° |
| C12 | C11 | C17 | H13 | 60.7° | 60.0° |
| C12 | C11 | C17 | H14 | 179.4° | 180.0° |
| C17 | C11 | C12 | C14 | 24.8° | 60.0° |
| C17 | C11 | C16 | H9 | 60.0° | 60.0° |
| C17 | C11 | C16 | H10 | 60.0° | 60.0° |
| C17 | C11 | C16 | H11 | 180.0° | 180.0° |
| C11 | C17 | H12 | H13 | 120.0° | 120.0° |
| C11 | C17 | H12 | H14 | 120.0° | 120.0° |
| C11 | C17 | H13 | H14 | 120.0° | 119.9° |
| C19 | C15 | C18 | S1 | 179.9° | 179.7° |
| C19 | C15 | S1 | N6 | 71.3° | 114.7° |
| C19 | C15 | C18 | C14 | 0.1° | 0.2° |
| C19 | C15 | S1 | O5 | 52.3° | 131.7° |
| C19 | C15 | C18 | O3 | 180.0° | 179.7° |
| C19 | C15 | S1 | O4 | 164.6° | 1.1° |
| C12 | C14 | C18 | C15 | 0.1° | 0.1° |
| C12 | C14 | C18 | H8 | 180.0° | 180.0° |
| C12 | C14 | C18 | O3 | 179.8° | 180.0° |
| C14 | C12 | C11 | H7 | 144.6° | 180.0° |
| C18 | C15 | S1 | N6 | 108.6° | 65.0° |
| C15 | C18 | C14 | O3 | 179.9° | 179.9° |
| C18 | C15 | S1 | O5 | 127.8° | 48.6° |
| C18 | C15 | S1 | O4 | 15.6° | 178.6° |
| C15 | C18 | O3 | C21 | 144.5° | 180.0° |
| C15 | C18 | C14 | H8 | 180.0° | 180.0° |
| C18 | C15 | C19 | H15 | 179.3° | 179.8° |
| C15 | S1 | N6 | O5 | 124.3° | 113.5° |
| C15 | S1 | N6 | O4 | 124.6° | 113.5° |
| S1 | C15 | C18 | C14 | 179.8° | 179.9° |
| C15 | S1 | O5 | O4 | 119.3° | 122.9° |
| S1 | C15 | C18 | O3 | 0.1° | 0.0° |
| C15 | S1 | N6 | H1 | 180.0° | 0.0° |
| C15 | S1 | N6 | H2 | 60.0° | 180.0° |
| S1 | C15 | C19 | H15 | 0.8° | 0.1° |
| N6 | S1 | O5 | O4 | 117.8° | 123.0° |
| S1 | N6 | H1 | H2 | 120.0° | 180.0° |
| C14 | C18 | O3 | C21 | 35.6° | 0.0° |
| O5 | S1 | N6 | H1 | 55.7° | 113.5° |
| O5 | S1 | N6 | H2 | 175.7° | 66.5° |
| O3 | C18 | C14 | H8 | 0.2° | 0.0° |
| C18 | O3 | C21 | H16 | 180.0° | 60.0° |
| C18 | O3 | C21 | H17 | 60.0° | 60.0° |
| C18 | O3 | C21 | H18 | 60.0° | 180.0° |
| O4 | S1 | N6 | H1 | 55.4° | 113.5° |
| O4 | S1 | N6 | H2 | 64.6° | 66.5° |
| O3 | C21 | H16 | H17 | 120.0° | 120.0° |
| O3 | C21 | H16 | H18 | 120.0° | 120.0° |
| O3 | C21 | H17 | H18 | 120.0° | 119.9° |
| H7 | C11 | C16 | H9 | 59.5° | 180.0° |
| H7 | C11 | C16 | H10 | 179.5° | 60.0° |
| H7 | C11 | C16 | H11 | 60.5° | 60.0° |
| H7 | C11 | C17 | H12 | 60.4° | 179.9° |
| H7 | C11 | C17 | H13 | 179.5° | 60.0° |
| H7 | C11 | C17 | H14 | 59.6° | 59.9° |
| H9 | C16 | H10 | H11 | 119.9° | 120.0° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
| H16 | C21 | H17 | H18 | 120.0° | 120.1° |
