AW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C16 | sing | 1.74Å | 1.80Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C20 | sing | 1.51Å | 1.50Å | |
| C15 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | N19 | doub | 1.30Å | 1.31Å | |
| C20 | N18 | sing | 1.37Å | 1.35Å | |
| N19 | C8 | sing | 1.36Å | 1.38Å | |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.49Å | |
| C23 | N18 | sing | 1.46Å | 1.45Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| N18 | C17 | sing | 1.47Å | 1.44Å | |
| C24 | O26 | doub | 1.21Å | 1.26Å | |
| C24 | O25 | sing | 1.34Å | 1.25Å | |
| C8 | C10 | doub | 1.42Å | 1.49Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.46Å | Aromatic |
| C10 | N9 | sing | 1.32Å | 1.37Å | Aromatic |
| C17 | C7 | sing | 1.51Å | 1.46Å | |
| C17 | O21 | sing | 1.43Å | 1.39Å | |
| C7 | C1 | doub | 1.40Å | 1.49Å | Aromatic |
| N9 | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C6 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | F27 | sing | 1.35Å | 1.37Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| O21 | H12 | sing | 0.97Å | 0.95Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C16 | C15 | 122.0° | 119.9° |
| CL1 | C16 | C14 | 118.9° | 119.8° |
| C15 | C16 | C14 | 119.0° | 120.3° |
| C16 | C15 | C13 | 120.3° | 120.1° |
| C16 | C15 | H3 | 119.8° | 120.0° |
| C16 | C14 | C12 | 119.8° | 120.1° |
| C16 | C14 | H1 | 120.1° | 120.0° |
| C22 | C20 | N19 | 122.2° | 119.7° |
| C22 | C20 | N18 | 116.1° | 119.8° |
| C20 | C22 | H8 | 109.5° | 109.5° |
| C20 | C22 | H9 | 109.5° | 109.5° |
| C20 | C22 | H10 | 109.5° | 109.4° |
| C15 | C13 | C11 | 120.7° | 119.9° |
| C13 | C15 | H3 | 119.9° | 119.9° |
| C15 | C13 | H4 | 119.7° | 120.1° |
| C14 | C12 | C11 | 121.9° | 119.9° |
| C12 | C14 | H1 | 120.1° | 119.9° |
| C14 | C12 | H2 | 119.0° | 120.0° |
| C13 | C11 | C12 | 118.2° | 119.8° |
| C13 | C11 | C10 | 121.2° | 120.1° |
| C11 | C13 | H4 | 119.6° | 120.1° |
| N19 | C20 | N18 | 121.5° | 120.5° |
| C20 | N19 | C8 | 125.3° | 121.4° |
| C20 | N18 | C23 | 124.1° | 120.7° |
| C20 | N18 | C17 | 113.3° | 118.6° |
| N19 | C8 | C10 | 124.7° | 120.9° |
| N19 | C8 | C7 | 114.3° | 120.1° |
| C12 | C11 | C10 | 120.7° | 120.1° |
| C11 | C12 | H2 | 119.0° | 120.1° |
| C11 | C10 | C8 | 117.5° | 119.4° |
| C11 | C10 | N9 | 122.7° | 119.5° |
| N18 | C23 | C24 | 119.2° | 109.5° |
| C23 | N18 | C17 | 113.1° | 120.7° |
| N18 | C23 | H13 | 107.0° | 109.5° |
| N18 | C23 | H14 | 107.0° | 109.5° |
| C23 | C24 | O26 | 114.2° | 120.0° |
| C23 | C24 | O25 | 117.5° | 120.0° |
| C24 | C23 | H13 | 107.0° | 109.5° |
| C24 | C23 | H14 | 107.0° | 109.4° |
| N18 | C17 | C7 | 113.1° | 107.8° |
| N18 | C17 | O21 | 110.0° | 109.8° |
| N18 | C17 | H11 | 105.1° | 109.8° |
| O26 | C24 | O25 | 128.3° | 120.0° |
| C24 | O25 | H15 | 109.5° | 117.0° |
| C10 | C8 | C7 | 115.1° | 119.0° |
| C8 | C10 | N9 | 119.7° | 121.1° |
| C8 | C7 | C17 | 113.1° | 119.5° |
| C8 | C7 | C1 | 121.6° | 118.9° |
| C10 | N9 | C2 | 124.8° | 122.0° |
| C7 | C17 | O21 | 116.8° | 109.8° |
| C17 | C7 | C1 | 125.3° | 121.6° |
| C7 | C17 | H11 | 104.9° | 109.8° |
| O21 | C17 | H11 | 105.7° | 109.9° |
| C17 | O21 | H12 | 109.5° | 114.0° |
| C7 | C1 | C2 | 117.6° | 118.9° |
| C7 | C1 | C3 | 122.0° | 121.6° |
| N9 | C2 | C1 | 121.2° | 120.1° |
| N9 | C2 | C4 | 121.3° | 120.8° |
| C1 | C2 | C4 | 117.5° | 119.0° |
| C2 | C1 | C3 | 120.4° | 119.5° |
| C2 | C4 | C6 | 121.8° | 119.9° |
| C2 | C4 | H5 | 119.1° | 120.1° |
| C1 | C3 | C5 | 122.7° | 119.7° |
| C1 | C3 | H7 | 118.6° | 120.1° |
| C4 | C6 | C5 | 120.5° | 121.1° |
| C6 | C4 | H5 | 119.1° | 120.1° |
| C4 | C6 | H6 | 119.7° | 119.4° |
| C3 | C5 | C6 | 117.1° | 120.8° |
| C3 | C5 | F27 | 119.6° | 119.6° |
| C5 | C3 | H7 | 118.6° | 120.2° |
| C6 | C5 | F27 | 123.3° | 119.6° |
| C5 | C6 | H6 | 119.8° | 119.5° |
| H8 | C22 | H9 | 109.4° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C16 | C15 | C14 | 179.8° | 179.7° |
| CL1 | C16 | C15 | C13 | 179.8° | 180.0° |
| CL1 | C16 | C14 | C12 | 179.1° | 180.0° |
| CL1 | C16 | C14 | H1 | 0.9° | 0.1° |
| CL1 | C16 | C15 | H3 | 0.2° | 0.0° |
| C16 | C15 | C13 | H3 | 180.0° | 180.0° |
| C15 | C16 | C14 | C12 | 0.7° | 0.3° |
| C16 | C15 | C13 | C11 | 0.4° | 0.0° |
| C15 | C16 | C14 | H1 | 179.3° | 179.8° |
| C16 | C15 | C13 | H4 | 179.6° | 180.0° |
| C14 | C16 | C15 | C13 | 0.0° | 0.3° |
| C16 | C14 | C12 | H1 | 180.0° | 179.9° |
| C16 | C14 | C12 | C11 | 1.1° | 0.0° |
| C16 | C14 | C12 | H2 | 178.9° | 179.9° |
| C14 | C16 | C15 | H3 | 180.0° | 179.7° |
| C22 | C20 | N19 | N18 | 175.3° | 179.9° |
| C22 | C20 | N19 | C8 | 177.7° | 177.8° |
| C22 | C20 | N18 | C23 | 13.6° | 31.0° |
| C22 | C20 | N18 | C17 | 157.7° | 149.0° |
| C20 | C22 | H8 | H9 | 120.0° | 120.0° |
| C20 | C22 | H8 | H10 | 120.0° | 119.9° |
| C20 | C22 | H9 | H10 | 120.0° | 119.9° |
| C15 | C13 | C11 | H4 | 180.0° | 180.0° |
| C15 | C13 | C11 | C12 | 0.1° | 0.3° |
| C15 | C13 | C11 | C10 | 177.9° | 180.0° |
| C14 | C12 | C11 | C13 | 0.7° | 0.3° |
| C14 | C12 | C11 | H2 | 180.0° | 179.9° |
| C14 | C12 | C11 | C10 | 177.2° | 180.0° |
| C13 | C11 | C12 | C10 | 177.8° | 179.7° |
| C13 | C11 | C10 | C8 | 128.0° | 35.0° |
| C13 | C11 | C10 | N9 | 48.9° | 145.3° |
| C13 | C11 | C12 | H2 | 179.4° | 179.7° |
| C11 | C13 | C15 | H3 | 179.6° | 180.0° |
| N19 | C20 | N18 | C23 | 170.8° | 148.9° |
| N19 | C20 | N18 | C17 | 26.8° | 31.1° |
| C20 | N19 | C8 | C10 | 159.0° | 167.6° |
| C20 | N19 | C8 | C7 | 7.6° | 12.8° |
| N19 | C20 | C22 | H8 | 0.0° | 0.0° |
| N19 | C20 | C22 | H9 | 120.0° | 120.0° |
| N19 | C20 | C22 | H10 | 120.0° | 120.1° |
| N18 | C20 | N19 | C8 | 7.1° | 2.3° |
| C20 | N18 | C23 | C17 | 144.1° | 179.9° |
| C20 | N18 | C23 | C24 | 75.7° | 90.0° |
| C20 | N18 | C17 | C7 | 47.1° | 40.0° |
| C20 | N18 | C17 | O21 | 179.9° | 79.5° |
| N18 | C20 | C22 | H8 | 175.5° | 180.0° |
| N18 | C20 | C22 | H9 | 64.5° | 59.9° |
| N18 | C20 | C22 | H10 | 55.5° | 60.0° |
| C20 | N18 | C17 | H11 | 66.7° | 159.6° |
| C20 | N18 | C23 | H13 | 162.9° | 150.0° |
| C20 | N18 | C23 | H14 | 45.6° | 29.9° |
| N19 | C8 | C10 | C11 | 28.1° | 0.5° |
| N19 | C8 | C10 | C7 | 151.2° | 179.6° |
| N19 | C8 | C10 | N9 | 149.0° | 179.8° |
| N19 | C8 | C7 | C17 | 27.9° | 1.0° |
| N19 | C8 | C7 | C1 | 153.0° | 179.1° |
| C12 | C11 | C10 | C8 | 49.7° | 144.7° |
| C12 | C11 | C10 | N9 | 133.3° | 35.0° |
| C11 | C12 | C14 | H1 | 178.9° | 179.9° |
| C12 | C11 | C13 | H4 | 179.9° | 179.7° |
| C11 | C10 | C8 | N9 | 177.1° | 179.7° |
| C11 | C10 | C8 | C7 | 179.3° | 179.2° |
| C11 | C10 | N9 | C2 | 178.4° | 180.0° |
| C10 | C11 | C12 | H2 | 2.8° | 0.0° |
| C10 | C11 | C13 | H4 | 2.1° | 0.0° |
| N18 | C23 | C24 | H13 | 121.4° | 120.0° |
| N18 | C23 | C24 | H14 | 121.4° | 120.0° |
| N18 | C23 | C24 | O26 | 166.4° | 0.0° |
| N18 | C23 | C24 | O25 | 12.6° | 180.0° |
| C23 | N18 | C17 | C7 | 164.8° | 140.0° |
| C23 | N18 | C17 | O21 | 32.0° | 100.4° |
| C23 | N18 | C17 | H11 | 81.4° | 20.4° |
| N18 | C23 | H13 | H14 | 115.6° | 120.0° |
| C24 | C23 | N18 | C17 | 68.4° | 90.0° |
| C23 | C24 | O26 | O25 | 178.9° | 180.0° |
| C24 | C23 | H13 | H14 | 115.6° | 120.0° |
| C23 | C24 | O25 | H15 | 178.9° | 179.9° |
| N18 | C17 | C7 | C8 | 48.1° | 25.3° |
| N18 | C17 | C7 | O21 | 129.4° | 119.6° |
| N18 | C17 | C7 | H11 | 114.0° | 119.6° |
| N18 | C17 | O21 | H11 | 113.0° | 120.8° |
| N18 | C17 | C7 | C1 | 132.9° | 154.8° |
| N18 | C17 | O21 | H12 | 180.0° | 60.0° |
| C17 | N18 | C23 | H13 | 53.0° | 30.0° |
| C17 | N18 | C23 | H14 | 170.2° | 150.0° |
| O26 | C24 | C23 | H13 | 45.1° | 120.0° |
| O26 | C24 | C23 | H14 | 72.2° | 120.0° |
| O26 | C24 | O25 | H15 | 0.0° | 0.0° |
| O25 | C24 | C23 | H13 | 134.0° | 60.0° |
| O25 | C24 | C23 | H14 | 108.8° | 60.0° |
| C10 | C8 | C7 | C17 | 177.9° | 178.7° |
| C10 | C8 | C7 | C1 | 1.2° | 1.2° |
| C8 | C10 | N9 | C2 | 1.5° | 0.3° |
| C7 | C8 | C10 | N9 | 2.2° | 0.5° |
| C8 | C7 | C17 | C1 | 179.0° | 179.9° |
| C8 | C7 | C17 | O21 | 177.4° | 94.3° |
| C8 | C7 | C1 | C2 | 0.6° | 1.1° |
| C8 | C7 | C1 | C3 | 178.6° | 179.2° |
| C8 | C7 | C17 | H11 | 65.9° | 144.9° |
| C10 | N9 | C2 | C1 | 0.6° | 0.4° |
| C10 | N9 | C2 | C4 | 179.7° | 179.5° |
| C7 | C17 | O21 | H11 | 116.2° | 120.8° |
| C17 | C7 | C1 | C2 | 179.6° | 178.8° |
| C17 | C7 | C1 | C3 | 2.5° | 1.0° |
| C7 | C17 | O21 | H12 | 49.2° | 178.4° |
| O21 | C17 | C7 | C1 | 3.6° | 85.6° |
| C7 | C1 | C2 | N9 | 1.6° | 0.3° |
| C7 | C1 | C2 | C3 | 178.0° | 179.7° |
| C7 | C1 | C2 | C4 | 179.3° | 179.8° |
| C7 | C1 | C3 | C5 | 179.3° | 179.8° |
| C7 | C1 | C3 | H7 | 0.8° | 0.2° |
| C1 | C7 | C17 | H11 | 113.1° | 35.3° |
| N9 | C2 | C1 | C4 | 179.2° | 180.0° |
| N9 | C2 | C1 | C3 | 179.6° | 180.0° |
| N9 | C2 | C4 | C6 | 179.5° | 180.0° |
| N9 | C2 | C4 | H5 | 0.5° | 0.0° |
| C1 | C2 | C4 | C6 | 0.4° | 0.0° |
| C2 | C1 | C3 | C5 | 1.3° | 0.0° |
| C1 | C2 | C4 | H5 | 179.6° | 180.0° |
| C2 | C1 | C3 | H7 | 178.7° | 180.0° |
| C4 | C2 | C1 | C3 | 1.3° | 0.0° |
| C2 | C4 | C6 | H5 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 0.5° | 0.1° |
| C2 | C4 | C6 | H6 | 179.5° | 180.0° |
| C1 | C3 | C5 | H7 | 180.0° | 180.0° |
| C1 | C3 | C5 | C6 | 0.5° | 0.1° |
| C1 | C3 | C5 | F27 | 179.8° | 180.0° |
| C4 | C6 | C5 | C3 | 0.4° | 0.1° |
| C4 | C6 | C5 | H6 | 180.0° | 179.9° |
| C4 | C6 | C5 | F27 | 179.3° | 180.0° |
| C3 | C5 | C6 | F27 | 179.8° | 179.9° |
| C3 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C6 | C4 | H5 | 179.5° | 180.0° |
| C6 | C5 | C3 | H7 | 179.6° | 179.9° |
| F27 | C5 | C6 | H6 | 0.7° | 0.0° |
| F27 | C5 | C3 | H7 | 0.2° | 0.0° |
| H1 | C14 | C12 | H2 | 1.1° | 0.0° |
| H3 | C15 | C13 | H4 | 0.4° | 0.0° |
| H5 | C4 | C6 | H6 | 0.5° | 0.0° |
| H8 | C22 | H9 | H10 | 120.0° | 120.1° |
| H11 | C17 | O21 | H12 | 67.0° | 60.8° |
