AY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F30 | C28 | sing | 1.40Å | 1.35Å | |
| CL | C28 | sing | 1.80Å | 1.81Å | |
| F29 | C28 | sing | 1.40Å | 1.36Å | |
| C28 | O22 | sing | 1.43Å | 1.44Å | |
| O22 | C19 | sing | 1.36Å | 1.40Å | |
| C19 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | N14 | sing | 1.40Å | 1.42Å | |
| C26 | C27 | sing | 1.40Å | 1.47Å | Aromatic |
| C26 | N25 | doub | 1.31Å | 1.28Å | Aromatic |
| C27 | C12 | doub | 1.37Å | 1.34Å | Aromatic |
| N14 | C13 | sing | 1.35Å | 1.37Å | |
| O15 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | C9 | sing | 1.48Å | 1.50Å | |
| N25 | N24 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N24 | sing | 1.36Å | 1.31Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.51Å | |
| C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C1 | doub | 1.41Å | 1.42Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | N7 | sing | 1.32Å | 1.37Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.36Å | |
| C3 | N2 | sing | 1.48Å | 1.45Å | |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.54Å | 1.55Å | |
| C4 | O23 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.55Å | 1.55Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| N14 | H16 | sing | 0.97Å | 1.00Å | |
| O23 | H17 | sing | 0.97Å | 0.95Å | |
| N24 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F30 | C28 | CL | 105.3° | 109.4° |
| F30 | C28 | F29 | 109.0° | 109.5° |
| F30 | C28 | O22 | 111.2° | 109.5° |
| CL | C28 | F29 | 113.0° | 109.5° |
| CL | C28 | O22 | 113.2° | 109.5° |
| F29 | C28 | O22 | 105.3° | 109.5° |
| C28 | O22 | C19 | 122.1° | 117.0° |
| O22 | C19 | C18 | 117.9° | 120.0° |
| O22 | C19 | C20 | 122.1° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C19 | C18 | H4 | 119.8° | 120.0° |
| C19 | C20 | C21 | 119.0° | 120.0° |
| C19 | C20 | H5 | 120.5° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | H4 | 119.8° | 120.0° |
| C20 | C21 | C16 | 121.4° | 120.0° |
| C21 | C20 | H5 | 120.5° | 120.0° |
| C20 | C21 | H6 | 119.3° | 120.0° |
| C17 | C16 | C21 | 118.8° | 119.9° |
| C17 | C16 | N14 | 122.0° | 120.0° |
| C16 | C17 | H3 | 120.0° | 120.0° |
| C21 | C16 | N14 | 118.4° | 120.0° |
| C16 | C21 | H6 | 119.3° | 120.0° |
| C16 | N14 | C13 | 129.1° | 120.0° |
| C16 | N14 | H16 | 115.5° | 120.0° |
| C27 | C26 | N25 | 106.3° | 108.6° |
| C26 | C27 | C12 | 104.3° | 107.9° |
| C27 | C26 | H7 | 126.8° | 125.8° |
| C26 | C27 | H8 | 127.9° | 126.0° |
| C26 | N25 | N24 | 110.6° | 108.5° |
| N25 | C26 | H7 | 126.9° | 125.7° |
| C27 | C12 | N24 | 110.0° | 107.3° |
| C27 | C12 | C11 | 124.1° | 126.3° |
| C12 | C27 | H8 | 127.9° | 126.1° |
| N14 | C13 | O15 | 125.7° | 120.0° |
| N14 | C13 | C9 | 117.7° | 120.0° |
| C13 | N14 | H16 | 115.4° | 120.0° |
| O15 | C13 | C9 | 116.6° | 120.0° |
| C13 | C9 | C10 | 116.5° | 120.4° |
| C13 | C9 | C8 | 124.7° | 120.4° |
| N25 | N24 | C12 | 108.7° | 107.8° |
| N25 | N24 | H18 | 125.7° | 126.2° |
| C9 | C10 | C11 | 121.0° | 118.2° |
| C10 | C9 | C8 | 118.7° | 119.1° |
| C9 | C10 | H15 | 119.5° | 120.8° |
| C10 | C11 | C12 | 118.0° | 120.5° |
| C10 | C11 | C1 | 118.1° | 119.0° |
| C11 | C10 | H15 | 119.5° | 120.9° |
| N24 | C12 | C11 | 125.8° | 126.4° |
| C12 | N24 | H18 | 125.6° | 126.1° |
| C12 | C11 | C1 | 123.8° | 120.5° |
| C9 | C8 | N7 | 119.7° | 121.0° |
| C9 | C8 | H14 | 120.1° | 119.5° |
| C11 | C1 | N7 | 119.8° | 120.7° |
| C11 | C1 | N2 | 123.2° | 119.7° |
| C8 | N7 | C1 | 122.6° | 121.9° |
| N7 | C8 | H14 | 120.1° | 119.5° |
| N7 | C1 | N2 | 116.9° | 119.6° |
| C1 | N2 | C3 | 123.1° | 111.0° |
| C1 | N2 | C6 | 123.3° | 111.0° |
| N2 | C3 | C4 | 98.3° | 104.8° |
| C3 | N2 | C6 | 113.6° | 108.6° |
| N2 | C3 | H1 | 112.2° | 110.3° |
| N2 | C3 | H2 | 112.2° | 110.4° |
| C3 | C4 | O23 | 110.1° | 111.0° |
| C3 | C4 | C5 | 104.4° | 101.6° |
| C4 | C3 | H1 | 112.2° | 110.4° |
| C4 | C3 | H2 | 112.2° | 110.4° |
| C3 | C4 | H9 | 108.9° | 111.0° |
| N2 | C6 | C5 | 101.8° | 107.2° |
| N2 | C6 | H12 | 111.3° | 109.9° |
| N2 | C6 | H13 | 111.3° | 109.9° |
| C6 | C5 | C4 | 105.4° | 103.0° |
| C6 | C5 | H10 | 110.5° | 110.7° |
| C6 | C5 | H11 | 110.5° | 110.9° |
| C5 | C6 | H12 | 111.3° | 109.9° |
| C5 | C6 | H13 | 111.3° | 109.9° |
| O23 | C4 | C5 | 113.9° | 111.0° |
| O23 | C4 | H9 | 110.4° | 110.9° |
| C4 | O23 | H17 | 109.5° | 114.0° |
| C5 | C4 | H9 | 108.9° | 111.0° |
| C4 | C5 | H10 | 110.5° | 110.7° |
| C4 | C5 | H11 | 110.5° | 110.7° |
| H1 | C3 | H2 | 109.5° | 110.4° |
| H10 | C5 | H11 | 109.4° | 110.6° |
| H12 | C6 | H13 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F30 | C28 | CL | F29 | 118.8° | 120.0° |
| F30 | C28 | CL | O22 | 121.6° | 120.0° |
| F30 | C28 | F29 | O22 | 119.3° | 120.0° |
| F30 | C28 | O22 | C19 | 61.7° | 60.0° |
| CL | C28 | F29 | O22 | 124.1° | 120.0° |
| CL | C28 | O22 | C19 | 56.5° | 180.0° |
| F29 | C28 | O22 | C19 | 179.6° | 60.0° |
| C28 | O22 | C19 | C18 | 79.8° | 180.0° |
| C28 | O22 | C19 | C20 | 98.8° | 0.1° |
| O22 | C19 | C18 | C20 | 178.6° | 180.0° |
| O22 | C19 | C18 | C17 | 177.7° | 180.0° |
| O22 | C19 | C20 | C21 | 178.2° | 179.7° |
| O22 | C19 | C18 | H4 | 2.3° | 0.0° |
| O22 | C19 | C20 | H5 | 1.8° | 0.1° |
| C19 | C18 | C17 | H4 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C19 | C18 | C17 | C16 | 3.7° | 0.0° |
| C19 | C18 | C17 | H3 | 176.3° | 179.9° |
| C18 | C19 | C20 | H5 | 179.6° | 180.0° |
| C20 | C19 | C18 | C17 | 0.9° | 0.0° |
| C19 | C20 | C21 | H5 | 180.0° | 179.7° |
| C19 | C20 | C21 | C16 | 2.7° | 0.6° |
| C20 | C19 | C18 | H4 | 179.1° | 179.9° |
| C19 | C20 | C21 | H6 | 177.3° | 180.0° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C18 | C17 | C16 | C21 | 5.9° | 0.3° |
| C18 | C17 | C16 | N14 | 174.9° | 180.0° |
| C20 | C21 | C16 | C17 | 5.4° | 0.6° |
| C20 | C21 | C16 | H6 | 180.0° | 179.4° |
| C20 | C21 | C16 | N14 | 174.9° | 179.7° |
| C17 | C16 | C21 | N14 | 169.4° | 179.8° |
| C17 | C16 | N14 | C13 | 16.7° | 26.7° |
| C16 | C17 | C18 | H4 | 176.3° | 180.0° |
| C17 | C16 | C21 | H6 | 174.6° | 180.0° |
| C17 | C16 | N14 | H16 | 163.3° | 153.2° |
| C21 | C16 | N14 | C13 | 174.2° | 153.5° |
| C21 | C16 | C17 | H3 | 174.1° | 179.8° |
| C16 | C21 | C20 | H5 | 177.3° | 179.8° |
| C21 | C16 | N14 | H16 | 5.8° | 26.6° |
| C16 | N14 | C13 | H16 | 180.0° | 179.9° |
| C16 | N14 | C13 | O15 | 9.0° | 5.1° |
| C16 | N14 | C13 | C9 | 174.2° | 174.9° |
| N14 | C16 | C17 | H3 | 5.1° | 0.0° |
| N14 | C16 | C21 | H6 | 5.1° | 0.3° |
| C27 | C26 | N25 | H7 | 180.0° | 179.7° |
| C26 | C27 | C12 | H8 | 180.0° | 180.0° |
| C27 | C26 | N25 | N24 | 2.6° | 0.4° |
| C26 | C27 | C12 | N24 | 1.1° | 0.0° |
| C26 | C27 | C12 | C11 | 178.6° | 179.8° |
| N25 | C26 | C27 | C12 | 0.9° | 0.3° |
| C26 | N25 | N24 | C12 | 3.4° | 0.4° |
| N25 | C26 | C27 | H8 | 179.1° | 179.7° |
| C26 | N25 | N24 | H18 | 176.6° | 179.5° |
| C27 | C12 | N24 | N25 | 2.7° | 0.2° |
| C27 | C12 | C11 | C10 | 115.5° | 45.1° |
| C27 | C12 | N24 | C11 | 177.4° | 179.8° |
| C27 | C12 | C11 | C1 | 62.8° | 134.8° |
| C12 | C27 | C26 | H7 | 179.0° | 180.0° |
| C27 | C12 | N24 | H18 | 177.3° | 179.7° |
| N14 | C13 | O15 | C9 | 176.8° | 180.0° |
| N14 | C13 | C9 | C10 | 31.7° | 179.5° |
| N14 | C13 | C9 | C8 | 148.1° | 0.0° |
| O15 | C13 | C9 | C10 | 151.2° | 0.5° |
| O15 | C13 | C9 | C8 | 29.0° | 180.0° |
| O15 | C13 | N14 | H16 | 171.0° | 175.0° |
| C13 | C9 | C10 | C8 | 179.8° | 179.5° |
| C13 | C9 | C10 | C11 | 179.6° | 179.7° |
| C13 | C9 | C8 | N7 | 178.8° | 180.0° |
| C13 | C9 | C8 | H14 | 1.2° | 0.0° |
| C13 | C9 | C10 | H15 | 0.4° | 0.0° |
| C9 | C13 | N14 | H16 | 5.8° | 5.0° |
| N25 | N24 | C12 | H18 | 180.0° | 179.9° |
| N25 | N24 | C12 | C11 | 179.9° | 180.0° |
| N24 | N25 | C26 | H7 | 177.4° | 179.8° |
| C9 | C10 | C11 | H15 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 178.7° | 179.5° |
| C9 | C10 | C11 | C1 | 0.3° | 0.5° |
| C10 | C9 | C8 | N7 | 1.0° | 0.5° |
| C10 | C9 | C8 | H14 | 179.0° | 179.5° |
| C10 | C11 | C12 | N24 | 67.4° | 135.1° |
| C10 | C11 | C12 | C1 | 178.3° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.7° |
| C10 | C11 | C1 | N7 | 1.2° | 0.0° |
| C10 | C11 | C1 | N2 | 176.8° | 179.7° |
| N24 | C12 | C11 | C1 | 114.3° | 44.9° |
| N24 | C12 | C27 | H8 | 178.9° | 180.0° |
| C12 | C11 | C1 | N7 | 179.6° | 180.0° |
| C12 | C11 | C1 | N2 | 4.9° | 0.3° |
| C11 | C12 | C27 | H8 | 1.4° | 0.2° |
| C12 | C11 | C10 | H15 | 1.3° | 0.3° |
| C11 | C12 | N24 | H18 | 0.1° | 0.1° |
| C9 | C8 | N7 | H14 | 180.0° | 180.0° |
| C9 | C8 | N7 | C1 | 2.0° | 0.0° |
| C8 | C9 | C10 | H15 | 179.8° | 179.5° |
| C11 | C1 | N7 | C8 | 2.1° | 0.2° |
| C11 | C1 | N7 | N2 | 175.8° | 179.8° |
| C11 | C1 | N2 | C3 | 111.7° | 154.7° |
| C11 | C1 | N2 | C6 | 70.6° | 84.4° |
| C1 | C11 | C10 | H15 | 179.7° | 179.7° |
| C8 | N7 | C1 | N2 | 177.9° | 180.0° |
| N7 | C1 | N2 | C3 | 72.6° | 25.6° |
| N7 | C1 | N2 | C6 | 105.1° | 95.4° |
| C1 | N7 | C8 | H14 | 178.0° | 180.0° |
| C1 | N2 | C3 | C6 | 177.9° | 122.3° |
| C1 | N2 | C3 | C4 | 137.5° | 146.4° |
| C1 | N2 | C6 | C5 | 152.2° | 123.3° |
| C1 | N2 | C3 | H1 | 104.4° | 27.6° |
| C1 | N2 | C3 | H2 | 19.3° | 94.8° |
| C1 | N2 | C6 | H12 | 33.4° | 117.3° |
| C1 | N2 | C6 | H13 | 89.1° | 3.9° |
| N2 | C3 | C4 | H1 | 118.1° | 118.8° |
| N2 | C3 | C4 | H2 | 118.2° | 118.9° |
| C3 | N2 | C6 | C5 | 25.7° | 0.9° |
| N2 | C3 | C4 | O23 | 159.9° | 155.1° |
| N2 | C3 | C4 | C5 | 37.3° | 37.1° |
| N2 | C3 | H1 | H2 | 125.2° | 122.3° |
| N2 | C3 | C4 | H9 | 78.9° | 81.1° |
| C3 | N2 | C6 | H12 | 144.5° | 120.3° |
| C3 | N2 | C6 | H13 | 93.0° | 118.4° |
| C4 | C3 | N2 | C6 | 40.4° | 24.1° |
| C3 | C4 | C5 | C6 | 24.3° | 35.7° |
| C3 | C4 | O23 | C5 | 116.9° | 112.2° |
| C3 | C4 | O23 | H9 | 120.3° | 123.9° |
| C3 | C4 | C5 | H9 | 116.2° | 118.1° |
| C4 | C3 | H1 | H2 | 125.2° | 122.3° |
| C3 | C4 | C5 | H10 | 143.6° | 82.7° |
| C3 | C4 | C5 | H11 | 95.1° | 154.2° |
| C3 | C4 | O23 | H17 | 180.0° | 180.0° |
| N2 | C6 | C5 | H12 | 118.7° | 119.4° |
| N2 | C6 | C5 | H13 | 118.8° | 119.4° |
| N2 | C6 | C5 | C4 | 1.1° | 22.3° |
| C6 | N2 | C3 | H1 | 77.7° | 94.7° |
| C6 | N2 | C3 | H2 | 158.5° | 142.9° |
| N2 | C6 | C5 | H10 | 120.4° | 96.1° |
| N2 | C6 | C5 | H11 | 118.3° | 140.8° |
| N2 | C6 | H12 | H13 | 123.5° | 121.2° |
| C6 | C5 | C4 | O23 | 144.4° | 153.7° |
| C6 | C5 | C4 | H10 | 119.4° | 118.4° |
| C6 | C5 | C4 | H11 | 119.4° | 118.6° |
| C6 | C5 | C4 | H9 | 91.9° | 82.5° |
| C6 | C5 | H10 | H11 | 121.9° | 123.3° |
| C5 | C6 | H12 | H13 | 123.6° | 121.1° |
| O23 | C4 | C5 | H9 | 123.7° | 123.8° |
| O23 | C4 | C3 | H1 | 41.8° | 36.3° |
| O23 | C4 | C3 | H2 | 81.9° | 86.0° |
| O23 | C4 | C5 | H10 | 96.3° | 35.3° |
| O23 | C4 | C5 | H11 | 25.0° | 87.7° |
| C5 | C4 | C3 | H1 | 80.9° | 81.7° |
| C5 | C4 | C3 | H2 | 155.4° | 155.9° |
| C4 | C5 | H10 | H11 | 121.9° | 123.1° |
| C4 | C5 | C6 | H12 | 117.7° | 97.1° |
| C4 | C5 | C6 | H13 | 119.8° | 141.7° |
| C5 | C4 | O23 | H17 | 63.1° | 67.8° |
| H1 | C3 | C4 | H9 | 162.9° | 160.1° |
| H2 | C3 | C4 | H9 | 39.2° | 37.8° |
| H3 | C17 | C18 | H4 | 3.7° | 0.0° |
| H5 | C20 | C21 | H6 | 2.7° | 0.3° |
| H7 | C26 | C27 | H8 | 0.9° | 0.0° |
| H9 | C4 | C5 | H10 | 27.4° | 159.1° |
| H9 | C4 | C5 | H11 | 148.7° | 36.1° |
| H9 | C4 | O23 | H17 | 59.7° | 56.1° |
| H10 | C5 | C6 | H12 | 1.7° | 144.5° |
| H10 | C5 | C6 | H13 | 120.8° | 23.3° |
| H11 | C5 | C6 | H12 | 122.9° | 21.3° |
| H11 | C5 | C6 | H13 | 0.4° | 99.9° |
