DY2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | C | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.39Å | |
| C | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| O | C6 | sing | 1.36Å | 1.40Å | |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | N | doub | 1.34Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| N | C7 | sing | 1.32Å | 1.31Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.52Å | |
| C10 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N1 | doub | 1.32Å | 1.31Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.52Å | |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C21 | doub | 1.39Å | 1.37Å | Aromatic |
| N1 | C13 | sing | 1.32Å | 1.31Å | Aromatic |
| C19 | O2 | sing | 1.36Å | 1.40Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| O2 | C22 | sing | 1.43Å | 1.41Å | |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| F2 | C22 | sing | 1.40Å | 1.36Å | |
| C22 | F1 | sing | 1.40Å | 1.36Å | |
| C22 | F | sing | 1.40Å | 1.36Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.08Å | 1.08Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O1 | C2 | 111.8° | 117.0° |
| O1 | C11 | H5 | 109.5° | 109.4° |
| O1 | C11 | H6 | 109.4° | 109.5° |
| O1 | C11 | H7 | 109.5° | 109.4° |
| C | C1 | C2 | 120.2° | 120.8° |
| C1 | C | C5 | 118.9° | 119.8° |
| C1 | C | H12 | 120.5° | 120.1° |
| C | C1 | H14 | 119.9° | 119.5° |
| C1 | C2 | O1 | 119.1° | 119.6° |
| C1 | C2 | C3 | 120.8° | 120.8° |
| C2 | C1 | H14 | 119.9° | 119.7° |
| O1 | C2 | C3 | 120.2° | 119.6° |
| C | C5 | C6 | 120.5° | 121.1° |
| C | C5 | C4 | 121.1° | 119.8° |
| C5 | C | H12 | 120.5° | 120.0° |
| C2 | C3 | C4 | 119.0° | 119.6° |
| C2 | C3 | H8 | 120.5° | 120.2° |
| O | C6 | C5 | 119.2° | 121.0° |
| O | C6 | C8 | 121.0° | 120.9° |
| C6 | O | H13 | 109.5° | 114.0° |
| C6 | C5 | C4 | 118.4° | 119.1° |
| C5 | C6 | C8 | 119.8° | 118.1° |
| C5 | C4 | C3 | 120.0° | 119.1° |
| C5 | C4 | N | 120.9° | 120.1° |
| C3 | C4 | N | 119.1° | 120.8° |
| C4 | C3 | H8 | 120.5° | 120.2° |
| C6 | C8 | C9 | 118.2° | 120.2° |
| C6 | C8 | C7 | 118.4° | 119.7° |
| C4 | N | C7 | 122.2° | 121.6° |
| C9 | C8 | C7 | 123.3° | 120.2° |
| C8 | C9 | H9 | 109.5° | 109.4° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.4° | 109.5° |
| C8 | C7 | N | 120.2° | 121.5° |
| C8 | C7 | C10 | 122.2° | 119.2° |
| N | C7 | C10 | 117.6° | 119.2° |
| C7 | C10 | C15 | 121.6° | 120.5° |
| C7 | C10 | C12 | 119.1° | 120.5° |
| C15 | C10 | C12 | 119.3° | 119.0° |
| C10 | C15 | C14 | 118.3° | 118.2° |
| C10 | C15 | H2 | 120.9° | 120.9° |
| C10 | C12 | N1 | 120.6° | 120.9° |
| C10 | C12 | H1 | 119.7° | 119.6° |
| C15 | C14 | C16 | 122.8° | 120.4° |
| C15 | C14 | C13 | 118.7° | 119.1° |
| C14 | C15 | H2 | 120.8° | 120.9° |
| C18 | C17 | C16 | 119.8° | 119.9° |
| C17 | C18 | C19 | 119.6° | 120.1° |
| C17 | C18 | H4 | 120.2° | 119.9° |
| C18 | C17 | H16 | 120.1° | 120.1° |
| C17 | C16 | C14 | 121.7° | 120.1° |
| C17 | C16 | C21 | 120.7° | 119.9° |
| C16 | C17 | H16 | 120.1° | 120.0° |
| C12 | N1 | C13 | 121.6° | 121.9° |
| N1 | C12 | H1 | 119.7° | 119.5° |
| C18 | C19 | O2 | 119.8° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.1° |
| C19 | C18 | H4 | 120.2° | 120.0° |
| C16 | C14 | C13 | 118.5° | 120.5° |
| C14 | C16 | C21 | 117.6° | 120.0° |
| C14 | C13 | N1 | 121.5° | 120.8° |
| C14 | C13 | H15 | 119.3° | 119.6° |
| C16 | C21 | C20 | 119.6° | 119.9° |
| C16 | C21 | H17 | 120.2° | 120.0° |
| N1 | C13 | H15 | 119.2° | 119.5° |
| O2 | C19 | C20 | 120.2° | 119.9° |
| C19 | O2 | C22 | 116.3° | 117.0° |
| C19 | C20 | C21 | 120.2° | 120.1° |
| C19 | C20 | H3 | 119.9° | 120.0° |
| O2 | C22 | F2 | 109.4° | 109.5° |
| O2 | C22 | F1 | 113.3° | 109.4° |
| O2 | C22 | F | 109.6° | 109.5° |
| C21 | C20 | H3 | 119.9° | 119.9° |
| C20 | C21 | H17 | 120.2° | 120.1° |
| F2 | C22 | F1 | 106.3° | 109.5° |
| F2 | C22 | F | 108.2° | 109.5° |
| F1 | C22 | F | 109.9° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.4° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.4° | 109.4° |
| H9 | C9 | H11 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | O1 | C2 | C1 | 58.3° | 0.0° |
| C11 | O1 | C2 | C3 | 121.3° | 180.0° |
| O1 | C11 | H5 | H6 | 120.0° | 120.1° |
| O1 | C11 | H5 | H7 | 120.0° | 119.9° |
| O1 | C11 | H6 | H7 | 120.0° | 120.0° |
| C | C1 | C2 | H14 | 180.0° | 180.0° |
| C | C1 | C2 | O1 | 180.0° | 180.0° |
| C1 | C | C5 | H12 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C | C5 | C6 | 179.8° | 180.0° |
| C1 | C | C5 | C4 | 0.0° | 0.0° |
| C1 | C2 | O1 | C3 | 179.6° | 180.0° |
| C2 | C1 | C | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H8 | 179.6° | 180.0° |
| C2 | C1 | C | H12 | 179.7° | 179.9° |
| O1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | O1 | C11 | H5 | 180.0° | 60.0° |
| C2 | O1 | C11 | H6 | 60.0° | 180.0° |
| C2 | O1 | C11 | H7 | 60.0° | 60.0° |
| O1 | C2 | C3 | H8 | 0.0° | 0.0° |
| O1 | C2 | C1 | H14 | 0.1° | 0.0° |
| C | C5 | C6 | O | 0.2° | 0.3° |
| C | C5 | C6 | C4 | 179.8° | 180.0° |
| C | C5 | C4 | C3 | 0.0° | 0.0° |
| C | C5 | C6 | C8 | 179.9° | 179.9° |
| C | C5 | C4 | N | 179.9° | 179.9° |
| C5 | C | C1 | H14 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 179.9° | 180.0° |
| C3 | C2 | C1 | H14 | 179.5° | 180.0° |
| O | C6 | C5 | C8 | 179.9° | 179.6° |
| O | C6 | C5 | C4 | 180.0° | 179.7° |
| O | C6 | C8 | C9 | 1.6° | 0.3° |
| O | C6 | C8 | C7 | 179.4° | 179.7° |
| C6 | C5 | C4 | C3 | 179.9° | 180.0° |
| C6 | C5 | C4 | N | 0.0° | 0.1° |
| C5 | C6 | C8 | C9 | 178.4° | 180.0° |
| C5 | C6 | C8 | C7 | 0.6° | 0.1° |
| C6 | C5 | C | H12 | 0.2° | 0.1° |
| C5 | C6 | O | H13 | 180.0° | 89.7° |
| C5 | C4 | C3 | N | 179.9° | 179.9° |
| C4 | C5 | C6 | C8 | 0.0° | 0.1° |
| C5 | C4 | N | C7 | 0.7° | 0.1° |
| C5 | C4 | C3 | H8 | 179.8° | 180.0° |
| C4 | C5 | C | H12 | 180.0° | 179.9° |
| C3 | C4 | N | C7 | 179.2° | 180.0° |
| C6 | C8 | C9 | C7 | 177.6° | 179.9° |
| C6 | C8 | C7 | N | 1.3° | 0.1° |
| C6 | C8 | C7 | C10 | 179.0° | 180.0° |
| C6 | C8 | C9 | H9 | 89.0° | 95.0° |
| C6 | C8 | C9 | H10 | 151.0° | 145.0° |
| C6 | C8 | C9 | H11 | 31.1° | 25.0° |
| C8 | C6 | O | H13 | 0.0° | 89.9° |
| C4 | N | C7 | C8 | 1.4° | 0.1° |
| C4 | N | C7 | C10 | 179.2° | 180.0° |
| N | C4 | C3 | H8 | 0.1° | 0.1° |
| C9 | C8 | C7 | N | 179.0° | 180.0° |
| C9 | C8 | C7 | C10 | 3.3° | 0.1° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 120.0° |
| C8 | C7 | N | C10 | 177.8° | 179.9° |
| C8 | C7 | C10 | C15 | 123.3° | 135.7° |
| C8 | C7 | C10 | C12 | 59.0° | 44.4° |
| C7 | C8 | C9 | H9 | 88.7° | 84.9° |
| C7 | C8 | C9 | H10 | 31.3° | 35.0° |
| C7 | C8 | C9 | H11 | 151.3° | 155.1° |
| N | C7 | C10 | C15 | 58.9° | 44.2° |
| N | C7 | C10 | C12 | 118.8° | 135.7° |
| C7 | C10 | C15 | C12 | 177.7° | 179.9° |
| C7 | C10 | C15 | C14 | 179.2° | 179.5° |
| C7 | C10 | C12 | N1 | 179.9° | 180.0° |
| C7 | C10 | C12 | H1 | 0.0° | 0.2° |
| C7 | C10 | C15 | H2 | 0.8° | 0.5° |
| C10 | C15 | C14 | H2 | 180.0° | 180.0° |
| C15 | C10 | C12 | N1 | 2.3° | 0.0° |
| C10 | C15 | C14 | C16 | 179.6° | 180.0° |
| C10 | C15 | C14 | C13 | 0.6° | 0.8° |
| C15 | C10 | C12 | H1 | 177.7° | 179.8° |
| C12 | C10 | C15 | C14 | 1.5° | 0.5° |
| C10 | C12 | N1 | H1 | 180.0° | 179.8° |
| C10 | C12 | N1 | C13 | 2.2° | 0.3° |
| C12 | C10 | C15 | H2 | 178.4° | 179.4° |
| C15 | C14 | C16 | C17 | 19.7° | 0.3° |
| C15 | C14 | C16 | C13 | 179.8° | 179.2° |
| C15 | C14 | C16 | C21 | 161.3° | 180.0° |
| C15 | C14 | C13 | N1 | 0.5° | 0.5° |
| C15 | C14 | C13 | H15 | 179.5° | 179.5° |
| C18 | C17 | C16 | H16 | 180.0° | 179.9° |
| C17 | C18 | C19 | H4 | 180.0° | 179.8° |
| C18 | C17 | C16 | C14 | 179.7° | 179.8° |
| C18 | C17 | C16 | C21 | 0.7° | 0.0° |
| C17 | C18 | C19 | O2 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 1.0° | 0.8° |
| C16 | C17 | C18 | C19 | 0.6° | 0.5° |
| C17 | C16 | C14 | C21 | 178.9° | 179.7° |
| C17 | C16 | C14 | C13 | 160.1° | 179.5° |
| C17 | C16 | C21 | C20 | 1.2° | 0.3° |
| C16 | C17 | C18 | H4 | 179.4° | 179.7° |
| C17 | C16 | C21 | H17 | 178.8° | 179.7° |
| C12 | N1 | C13 | C14 | 1.3° | 0.0° |
| C12 | N1 | C13 | H15 | 178.7° | 180.0° |
| C18 | C19 | O2 | C20 | 179.0° | 179.5° |
| C18 | C19 | O2 | C22 | 108.1° | 0.6° |
| C18 | C19 | C20 | C21 | 1.4° | 0.5° |
| C18 | C19 | C20 | H3 | 178.6° | 179.5° |
| C19 | C18 | C17 | H16 | 179.4° | 179.4° |
| C16 | C14 | C13 | N1 | 179.7° | 179.7° |
| C14 | C16 | C21 | C20 | 179.9° | 180.0° |
| C16 | C14 | C15 | H2 | 0.4° | 0.1° |
| C16 | C14 | C13 | H15 | 0.3° | 0.2° |
| C14 | C16 | C17 | H16 | 0.4° | 0.3° |
| C14 | C16 | C21 | H17 | 0.1° | 0.0° |
| C13 | C14 | C16 | C21 | 18.9° | 0.8° |
| C14 | C13 | N1 | H15 | 180.0° | 179.9° |
| C13 | C14 | C15 | H2 | 179.3° | 179.2° |
| C16 | C21 | C20 | C19 | 1.5° | 0.0° |
| C16 | C21 | C20 | H17 | 180.0° | 180.0° |
| C16 | C21 | C20 | H3 | 178.5° | 180.0° |
| C21 | C16 | C17 | H16 | 179.3° | 180.0° |
| C13 | N1 | C12 | H1 | 177.8° | 179.9° |
| O2 | C19 | C20 | C21 | 179.6° | 180.0° |
| C19 | O2 | C22 | F2 | 125.0° | 60.0° |
| C19 | O2 | C22 | F1 | 6.7° | 60.0° |
| C19 | O2 | C22 | F | 116.4° | 180.0° |
| O2 | C19 | C20 | H3 | 0.4° | 0.0° |
| O2 | C19 | C18 | H4 | 0.0° | 0.0° |
| C20 | C19 | O2 | C22 | 72.9° | 180.0° |
| C19 | C20 | C21 | H3 | 180.0° | 180.0° |
| C20 | C19 | C18 | H4 | 179.0° | 179.4° |
| C19 | C20 | C21 | H17 | 178.5° | 180.0° |
| O2 | C22 | F2 | F1 | 122.7° | 120.0° |
| O2 | C22 | F2 | F | 119.4° | 120.0° |
| O2 | C22 | F1 | F | 123.0° | 120.0° |
| F2 | C22 | F1 | F | 116.8° | 120.0° |
| H3 | C20 | C21 | H17 | 1.5° | 0.0° |
| H4 | C18 | C17 | H16 | 0.6° | 0.3° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H9 | C9 | H10 | H11 | 120.0° | 120.0° |
| H12 | C | C1 | H14 | 0.3° | 0.1° |
