EM8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C26 | sing | 1.40Å | 1.39Å | |
| F28 | C26 | sing | 1.40Å | 1.39Å | |
| C26 | O25 | sing | 1.43Å | 1.42Å | |
| C26 | F29 | sing | 1.40Å | 1.39Å | |
| O25 | C16 | sing | 1.36Å | 1.36Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | N13 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | N13 | sing | 1.40Å | 1.40Å | |
| N13 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.36Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.47Å | 1.47Å | |
| C4 | O5 | doub | 1.21Å | 1.21Å | |
| C4 | O6 | sing | 1.34Å | 1.33Å | |
| C22 | N24 | sing | 1.35Å | 1.34Å | |
| C22 | O23 | doub | 1.22Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| N24 | H16 | sing | 0.97Å | 1.00Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C26 | F28 | 110.2° | 109.5° |
| F27 | C26 | O25 | 107.9° | 109.5° |
| F27 | C26 | F29 | 109.1° | 109.4° |
| F28 | C26 | O25 | 109.0° | 109.5° |
| F28 | C26 | F29 | 110.5° | 109.5° |
| O25 | C26 | F29 | 110.1° | 109.5° |
| C26 | O25 | C16 | 119.6° | 117.0° |
| O25 | C16 | C17 | 117.4° | 119.7° |
| O25 | C16 | C15 | 121.6° | 119.8° |
| C17 | C16 | C15 | 120.9° | 120.5° |
| C16 | C17 | C18 | 120.7° | 120.6° |
| C16 | C17 | H14 | 119.6° | 119.7° |
| C16 | C15 | C14 | 119.1° | 119.8° |
| C16 | C15 | H11 | 120.5° | 120.1° |
| C1 | C2 | C7 | 105.9° | 109.5° |
| C1 | C2 | C3 | 108.8° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.6° | 109.5° |
| C17 | C18 | C19 | 119.6° | 119.9° |
| C18 | C17 | H14 | 119.6° | 119.7° |
| C17 | C18 | H15 | 120.2° | 120.1° |
| C15 | C14 | C19 | 119.5° | 119.5° |
| C15 | C14 | N13 | 133.4° | 133.1° |
| C14 | C15 | H11 | 120.4° | 120.1° |
| C7 | C2 | C3 | 113.2° | 109.5° |
| C2 | C7 | C8 | 120.5° | 120.0° |
| C2 | C7 | C12 | 120.2° | 120.0° |
| C7 | C2 | H4 | 109.8° | 109.5° |
| C2 | C3 | C4 | 111.4° | 109.5° |
| C3 | C2 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.0° | 109.5° |
| C2 | C3 | H6 | 109.0° | 109.5° |
| C18 | C19 | C14 | 120.2° | 119.7° |
| C18 | C19 | C20 | 132.6° | 133.3° |
| C19 | C18 | H15 | 120.2° | 120.0° |
| C19 | C14 | N13 | 107.1° | 107.4° |
| C14 | C19 | C20 | 107.3° | 107.0° |
| C14 | N13 | C11 | 125.5° | 125.7° |
| C14 | N13 | C21 | 108.7° | 108.7° |
| C7 | C8 | C9 | 120.4° | 120.1° |
| C8 | C7 | C12 | 119.3° | 120.1° |
| C7 | C8 | H7 | 119.8° | 119.9° |
| C8 | C9 | C10 | 120.3° | 120.1° |
| C9 | C8 | H7 | 119.8° | 120.0° |
| C8 | C9 | H8 | 119.8° | 120.0° |
| C7 | C12 | C11 | 120.4° | 119.9° |
| C7 | C12 | H10 | 119.8° | 120.0° |
| C9 | C10 | C11 | 119.2° | 119.9° |
| C10 | C9 | H8 | 119.8° | 119.9° |
| C9 | C10 | H9 | 120.4° | 120.0° |
| C12 | C11 | C10 | 120.3° | 119.9° |
| C12 | C11 | N13 | 116.9° | 120.0° |
| C11 | C12 | H10 | 119.8° | 120.1° |
| C10 | C11 | N13 | 122.8° | 120.1° |
| C11 | C10 | H9 | 120.4° | 120.1° |
| C19 | C20 | C21 | 107.5° | 107.9° |
| C19 | C20 | H12 | 126.3° | 126.1° |
| C11 | N13 | C21 | 125.8° | 125.6° |
| N13 | C21 | C20 | 109.5° | 109.1° |
| N13 | C21 | C22 | 125.5° | 125.4° |
| C3 | C4 | O5 | 122.0° | 120.0° |
| C3 | C4 | O6 | 120.0° | 120.0° |
| C4 | C3 | H5 | 109.0° | 109.5° |
| C4 | C3 | H6 | 109.0° | 109.5° |
| C20 | C21 | C22 | 125.0° | 125.5° |
| C21 | C20 | H12 | 126.3° | 126.1° |
| C21 | C22 | N24 | 119.4° | 120.0° |
| C21 | C22 | O23 | 119.9° | 120.0° |
| O5 | C4 | O6 | 118.0° | 120.0° |
| C4 | O6 | H13 | 109.5° | 117.0° |
| N24 | C22 | O23 | 120.7° | 120.0° |
| C22 | N24 | H16 | 120.0° | 119.9° |
| C22 | N24 | H17 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H16 | N24 | H17 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C26 | F28 | O25 | 118.2° | 120.0° |
| F27 | C26 | F28 | F29 | 120.7° | 120.0° |
| F27 | C26 | O25 | F29 | 119.0° | 120.0° |
| F27 | C26 | O25 | C16 | 168.8° | 180.0° |
| F28 | C26 | O25 | F29 | 121.4° | 120.0° |
| F28 | C26 | O25 | C16 | 71.6° | 60.0° |
| C26 | O25 | C16 | C17 | 159.8° | 0.0° |
| C26 | O25 | C16 | C15 | 21.2° | 180.0° |
| F29 | C26 | O25 | C16 | 49.8° | 60.0° |
| O25 | C16 | C17 | C15 | 179.0° | 179.9° |
| O25 | C16 | C17 | C18 | 179.6° | 179.7° |
| O25 | C16 | C15 | C14 | 179.8° | 180.0° |
| O25 | C16 | C15 | H11 | 0.2° | 0.0° |
| O25 | C16 | C17 | H14 | 0.4° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.6° |
| C17 | C16 | C15 | C14 | 0.9° | 0.1° |
| C16 | C17 | C18 | C19 | 1.2° | 0.6° |
| C17 | C16 | C15 | H11 | 179.1° | 179.9° |
| C16 | C17 | C18 | H15 | 178.8° | 180.0° |
| C15 | C16 | C17 | C18 | 1.4° | 0.4° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.3° | 0.0° |
| C16 | C15 | C14 | N13 | 179.5° | 179.7° |
| C15 | C16 | C17 | H14 | 178.6° | 180.0° |
| C1 | C2 | C7 | C3 | 119.1° | 120.0° |
| C1 | C2 | C7 | H4 | 118.2° | 120.0° |
| C1 | C2 | C3 | H4 | 119.7° | 120.0° |
| C1 | C2 | C7 | C8 | 109.9° | 60.3° |
| C1 | C2 | C7 | C12 | 68.8° | 120.0° |
| C1 | C2 | C3 | C4 | 166.9° | 65.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 72.8° | 175.0° |
| C1 | C2 | C3 | H6 | 46.6° | 55.1° |
| C17 | C18 | C19 | H15 | 180.0° | 179.4° |
| C17 | C18 | C19 | C14 | 0.6° | 0.6° |
| C17 | C18 | C19 | C20 | 179.4° | 179.5° |
| C15 | C14 | C19 | C18 | 0.1° | 0.3° |
| C15 | C14 | C19 | N13 | 179.8° | 179.8° |
| C15 | C14 | C19 | C20 | 179.9° | 179.8° |
| C15 | C14 | N13 | C11 | 2.7° | 0.3° |
| C15 | C14 | N13 | C21 | 179.5° | 179.7° |
| C7 | C2 | C3 | H4 | 122.9° | 120.0° |
| C2 | C7 | C8 | C12 | 178.8° | 179.7° |
| C2 | C7 | C8 | C9 | 179.5° | 180.0° |
| C2 | C7 | C12 | C11 | 179.9° | 179.7° |
| C7 | C2 | C3 | C4 | 75.7° | 175.0° |
| C7 | C2 | C1 | H1 | 180.0° | 60.0° |
| C7 | C2 | C1 | H2 | 60.0° | 60.0° |
| C7 | C2 | C1 | H3 | 60.0° | 180.0° |
| C7 | C2 | C3 | H5 | 44.6° | 55.0° |
| C7 | C2 | C3 | H6 | 164.0° | 65.0° |
| C2 | C7 | C8 | H7 | 0.5° | 0.0° |
| C2 | C7 | C12 | H10 | 0.0° | 0.0° |
| C3 | C2 | C7 | C8 | 131.0° | 59.7° |
| C3 | C2 | C7 | C12 | 50.3° | 120.0° |
| C2 | C3 | C4 | H5 | 120.3° | 120.0° |
| C2 | C3 | C4 | H6 | 120.3° | 120.0° |
| C2 | C3 | C4 | O5 | 55.9° | 0.1° |
| C2 | C3 | C4 | O6 | 125.0° | 180.0° |
| C3 | C2 | C1 | H1 | 58.1° | 60.0° |
| C3 | C2 | C1 | H2 | 61.9° | 180.0° |
| C3 | C2 | C1 | H3 | 178.1° | 59.9° |
| C2 | C3 | H5 | H6 | 119.1° | 120.0° |
| C18 | C19 | C14 | C20 | 180.0° | 179.9° |
| C18 | C19 | C14 | N13 | 179.7° | 179.9° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H12 | 0.2° | 0.1° |
| C19 | C18 | C17 | H14 | 178.8° | 179.7° |
| C19 | C14 | N13 | C11 | 177.5° | 180.0° |
| C19 | C14 | N13 | C21 | 0.8° | 0.0° |
| C14 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C14 | C15 | H11 | 179.7° | 180.0° |
| C14 | C19 | C20 | H12 | 179.7° | 179.9° |
| C14 | C19 | C18 | H15 | 179.4° | 180.0° |
| C14 | N13 | C11 | C12 | 119.6° | 112.5° |
| C14 | N13 | C11 | C10 | 58.1° | 67.2° |
| N13 | C14 | C19 | C20 | 0.3° | 0.0° |
| C14 | N13 | C11 | C21 | 176.2° | 180.0° |
| C14 | N13 | C21 | C20 | 1.0° | 0.0° |
| C14 | N13 | C21 | C22 | 179.8° | 180.0° |
| N13 | C14 | C15 | H11 | 0.5° | 0.3° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C8 | C7 | C12 | C11 | 1.3° | 0.6° |
| C8 | C7 | C2 | H4 | 8.3° | 179.7° |
| C7 | C8 | C9 | H8 | 179.6° | 180.0° |
| C8 | C7 | C12 | H10 | 178.7° | 179.7° |
| C9 | C8 | C7 | C12 | 0.7° | 0.3° |
| C8 | C9 | C10 | H8 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.6° | 0.0° |
| C8 | C9 | C10 | H9 | 179.4° | 179.9° |
| C7 | C12 | C11 | H10 | 180.0° | 179.7° |
| C7 | C12 | C11 | C10 | 1.6° | 0.6° |
| C7 | C12 | C11 | N13 | 179.3° | 179.8° |
| C12 | C7 | C2 | H4 | 173.0° | 0.0° |
| C12 | C7 | C8 | H7 | 179.3° | 179.8° |
| C9 | C10 | C11 | C12 | 1.2° | 0.3° |
| C9 | C10 | C11 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | N13 | 178.8° | 180.0° |
| C10 | C9 | C8 | H7 | 179.6° | 180.0° |
| C12 | C11 | C10 | N13 | 177.6° | 179.7° |
| C12 | C11 | N13 | C21 | 56.6° | 67.5° |
| C12 | C11 | C10 | H9 | 178.8° | 179.8° |
| C10 | C11 | N13 | C21 | 125.7° | 112.8° |
| C11 | C10 | C9 | H8 | 179.3° | 179.9° |
| C10 | C11 | C12 | H10 | 178.5° | 179.7° |
| C19 | C20 | C21 | N13 | 0.8° | 0.1° |
| C19 | C20 | C21 | H12 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 179.6° | 180.0° |
| C20 | C19 | C18 | H15 | 0.6° | 0.1° |
| C11 | N13 | C21 | C20 | 177.7° | 180.0° |
| C11 | N13 | C21 | C22 | 3.4° | 0.1° |
| N13 | C11 | C10 | H9 | 1.2° | 0.1° |
| N13 | C11 | C12 | H10 | 0.7° | 0.1° |
| N13 | C21 | C20 | C22 | 178.9° | 179.9° |
| N13 | C21 | C22 | N24 | 134.8° | 174.1° |
| N13 | C21 | C22 | O23 | 45.8° | 5.9° |
| N13 | C21 | C20 | H12 | 179.2° | 180.0° |
| C3 | C4 | O5 | O6 | 179.1° | 179.9° |
| C4 | C3 | C2 | H4 | 47.2° | 55.0° |
| C4 | C3 | H5 | H6 | 119.1° | 119.9° |
| C3 | C4 | O6 | H13 | 179.1° | 180.0° |
| C20 | C21 | C22 | N24 | 46.5° | 5.8° |
| C20 | C21 | C22 | O23 | 132.8° | 174.2° |
| C21 | C22 | N24 | O23 | 179.3° | 180.0° |
| C22 | C21 | C20 | H12 | 0.4° | 0.1° |
| C21 | C22 | N24 | H16 | 179.3° | 5.0° |
| C21 | C22 | N24 | H17 | 0.7° | 175.0° |
| O5 | C4 | C3 | H5 | 176.2° | 120.0° |
| O5 | C4 | C3 | H6 | 64.4° | 120.1° |
| O5 | C4 | O6 | H13 | 0.0° | 0.0° |
| O6 | C4 | C3 | H5 | 4.7° | 60.0° |
| O6 | C4 | C3 | H6 | 114.7° | 60.0° |
| C22 | N24 | H16 | H17 | 180.0° | 180.0° |
| O23 | C22 | N24 | H16 | 0.0° | 174.9° |
| O23 | C22 | N24 | H17 | 180.0° | 5.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 61.6° | NaN° |
| H2 | C1 | C2 | H4 | 178.3° | 60.0° |
| H3 | C1 | C2 | H4 | 58.4° | 60.0° |
| H4 | C2 | C3 | H5 | 167.5° | 65.0° |
| H4 | C2 | C3 | H6 | 73.1° | 175.0° |
| H7 | C8 | C9 | H8 | 0.4° | 0.0° |
| H8 | C9 | C10 | H9 | 0.7° | 0.0° |
| H14 | C17 | C18 | H15 | 1.2° | 0.3° |
