EGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| F | C20 | sing | 1.35Å | 1.36Å | |
| C22 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | N1 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | C14 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| O2 | C11 | doub | 1.22Å | 1.22Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| C11 | C9 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.48Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 1.39Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C | O | doub | 1.22Å | 1.23Å | |
| O1 | C5 | sing | 1.36Å | 1.39Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.08Å | 1.08Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 118.2° | 120.0° |
| C21 | C22 | C17 | 121.3° | 120.0° |
| C22 | C21 | H16 | 120.9° | 120.1° |
| C21 | C22 | H17 | 119.3° | 120.0° |
| C21 | C20 | F | 118.6° | 120.1° |
| C21 | C20 | C19 | 122.9° | 119.9° |
| C20 | C21 | H16 | 120.9° | 120.0° |
| F | C20 | C19 | 118.4° | 120.0° |
| C22 | C17 | C14 | 122.1° | 119.9° |
| C22 | C17 | C18 | 118.2° | 120.1° |
| C17 | C22 | H17 | 119.4° | 120.0° |
| C20 | C19 | C18 | 118.3° | 119.9° |
| C20 | C19 | H14 | 120.9° | 120.0° |
| C15 | C16 | N1 | 113.6° | 108.8° |
| C16 | C15 | C14 | 112.0° | 109.3° |
| C16 | C15 | H9 | 108.8° | 109.5° |
| C16 | C15 | H10 | 108.8° | 109.5° |
| C15 | C16 | H11 | 108.4° | 109.6° |
| C15 | C16 | H12 | 108.4° | 109.6° |
| C16 | N1 | C11 | 121.2° | 120.7° |
| C16 | N1 | C12 | 117.6° | 118.7° |
| N1 | C16 | H11 | 108.4° | 109.6° |
| N1 | C16 | H12 | 108.4° | 109.6° |
| C15 | C14 | C17 | 115.3° | 109.4° |
| C15 | C14 | C13 | 108.0° | 109.5° |
| C15 | C14 | H8 | 107.1° | 109.4° |
| C14 | C15 | H9 | 108.8° | 109.5° |
| C14 | C15 | H10 | 108.8° | 109.5° |
| C14 | C17 | C18 | 119.8° | 120.0° |
| C17 | C14 | C13 | 111.5° | 109.5° |
| C17 | C14 | H8 | 107.2° | 109.5° |
| C17 | C18 | C19 | 121.2° | 120.1° |
| C17 | C18 | H13 | 119.4° | 119.9° |
| C19 | C18 | H13 | 119.4° | 120.0° |
| C18 | C19 | H14 | 120.8° | 120.0° |
| C14 | C13 | C12 | 109.2° | 109.3° |
| C14 | C13 | H6 | 109.5° | 109.5° |
| C14 | C13 | H7 | 109.6° | 109.5° |
| C13 | C14 | H8 | 107.3° | 109.5° |
| O2 | C11 | N1 | 121.8° | 120.0° |
| O2 | C11 | C9 | 120.2° | 120.0° |
| C11 | N1 | C12 | 120.7° | 120.6° |
| N1 | C11 | C9 | 117.7° | 120.0° |
| N1 | C12 | C13 | 111.8° | 108.8° |
| N1 | C12 | H4 | 108.9° | 109.6° |
| N1 | C12 | H5 | 108.9° | 109.7° |
| C11 | C9 | C10 | 118.7° | 120.1° |
| C11 | C9 | C8 | 121.9° | 120.1° |
| C13 | C12 | H4 | 108.9° | 109.6° |
| C13 | C12 | H5 | 108.9° | 109.6° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| N | C | C1 | 118.0° | 120.0° |
| N | C | O | 122.9° | 120.0° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H2 | 120.0° | 120.0° |
| C9 | C10 | C5 | 119.7° | 119.8° |
| C10 | C9 | C8 | 119.3° | 119.8° |
| C9 | C10 | H3 | 120.2° | 120.1° |
| C10 | C5 | O1 | 117.0° | 119.9° |
| C10 | C5 | C6 | 121.2° | 120.0° |
| C5 | C10 | H3 | 120.2° | 120.1° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C9 | C8 | H23 | 119.8° | 120.0° |
| C23 | C24 | C1 | 120.6° | 119.9° |
| C24 | C23 | C4 | 119.6° | 120.1° |
| C24 | C23 | H18 | 120.2° | 120.0° |
| C23 | C24 | H19 | 119.7° | 120.0° |
| C24 | C1 | C | 122.8° | 120.1° |
| C24 | C1 | C2 | 118.9° | 119.8° |
| C1 | C24 | H19 | 119.7° | 120.0° |
| C23 | C4 | O1 | 121.2° | 119.9° |
| C23 | C4 | C3 | 120.3° | 120.2° |
| C4 | C23 | H18 | 120.2° | 120.0° |
| C | C1 | C2 | 118.1° | 120.1° |
| C1 | C | O | 119.1° | 120.0° |
| C1 | C2 | C3 | 120.8° | 120.0° |
| C1 | C2 | H15 | 119.6° | 120.0° |
| O1 | C4 | C3 | 118.5° | 119.9° |
| C4 | O1 | C5 | 119.2° | 118.0° |
| C4 | C3 | C2 | 119.7° | 120.1° |
| C4 | C3 | H20 | 120.1° | 119.9° |
| O1 | C5 | C6 | 121.4° | 120.0° |
| C5 | C6 | C7 | 118.9° | 120.2° |
| C5 | C6 | H21 | 120.6° | 119.8° |
| C3 | C2 | H15 | 119.6° | 120.0° |
| C2 | C3 | H20 | 120.1° | 120.0° |
| C8 | C7 | C6 | 120.6° | 120.2° |
| C8 | C7 | H22 | 119.7° | 119.9° |
| C7 | C8 | H23 | 119.9° | 120.0° |
| C7 | C6 | H21 | 120.5° | 119.9° |
| C6 | C7 | H22 | 119.7° | 119.9° |
| H1 | N | H2 | 120.0° | 120.0° |
| H4 | C12 | H5 | 109.5° | 109.6° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H16 | 180.0° | 179.4° |
| C22 | C21 | C20 | F | 175.0° | 179.8° |
| C21 | C22 | C17 | H17 | 180.0° | 179.4° |
| C22 | C21 | C20 | C19 | 1.7° | 0.3° |
| C21 | C22 | C17 | C14 | 179.8° | 179.8° |
| C21 | C22 | C17 | C18 | 0.4° | 0.5° |
| C21 | C20 | F | C19 | 176.8° | 179.9° |
| C20 | C21 | C22 | C17 | 0.9° | 0.6° |
| C21 | C20 | C19 | C18 | 1.2° | 0.1° |
| C21 | C20 | C19 | H14 | 178.8° | 180.0° |
| C20 | C21 | C22 | H17 | 179.1° | 180.0° |
| F | C20 | C19 | C18 | 175.5° | 180.0° |
| F | C20 | C19 | H14 | 4.5° | 0.1° |
| F | C20 | C21 | H16 | 5.0° | 0.4° |
| C22 | C17 | C14 | C15 | 5.9° | 60.4° |
| C22 | C17 | C14 | C18 | 179.8° | 179.7° |
| C22 | C17 | C18 | C19 | 0.9° | 0.3° |
| C22 | C17 | C14 | C13 | 117.8° | 59.7° |
| C22 | C17 | C14 | H8 | 125.1° | 179.7° |
| C22 | C17 | C18 | H13 | 179.1° | 179.8° |
| C17 | C22 | C21 | H16 | 179.1° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H14 | 180.0° | 180.0° |
| C20 | C19 | C18 | H13 | 179.8° | 180.0° |
| C19 | C20 | C21 | H16 | 178.3° | 179.7° |
| C15 | C16 | N1 | H11 | 120.6° | 119.8° |
| C15 | C16 | N1 | H12 | 120.6° | 119.9° |
| C16 | C15 | C14 | H9 | 120.4° | 119.9° |
| C16 | C15 | C14 | H10 | 120.4° | 120.0° |
| C16 | C15 | C14 | C17 | 68.3° | 178.6° |
| C16 | C15 | C14 | C13 | 57.2° | 61.4° |
| C15 | C16 | N1 | C11 | 148.5° | 126.4° |
| C15 | C16 | N1 | C12 | 39.4° | 53.5° |
| C16 | C15 | C14 | H8 | 172.4° | 58.7° |
| C16 | C15 | H9 | H10 | 118.8° | 120.0° |
| C15 | C16 | H11 | H12 | 118.1° | 120.4° |
| N1 | C16 | C15 | C14 | 44.6° | 54.6° |
| C16 | N1 | C11 | O2 | 9.4° | 4.1° |
| C16 | N1 | C11 | C12 | 171.8° | 179.9° |
| C16 | N1 | C11 | C9 | 165.1° | 175.9° |
| C16 | N1 | C12 | C13 | 46.3° | 53.6° |
| C16 | N1 | C12 | H4 | 166.7° | 173.4° |
| C16 | N1 | C12 | H5 | 74.0° | 66.3° |
| N1 | C16 | C15 | H9 | 164.9° | 174.6° |
| N1 | C16 | C15 | H10 | 75.8° | 65.4° |
| N1 | C16 | H11 | H12 | 118.1° | 120.3° |
| C15 | C14 | C17 | C13 | 123.7° | 120.1° |
| C15 | C14 | C17 | H8 | 119.2° | 119.9° |
| C15 | C14 | C17 | C18 | 174.2° | 119.9° |
| C15 | C14 | C13 | H8 | 115.2° | 120.0° |
| C15 | C14 | C13 | C12 | 63.8° | 61.4° |
| C15 | C14 | C13 | H6 | 176.2° | 178.7° |
| C15 | C14 | C13 | H7 | 56.1° | 58.6° |
| C14 | C15 | H9 | H10 | 118.8° | 120.1° |
| C14 | C15 | C16 | H11 | 165.2° | 65.2° |
| C14 | C15 | C16 | H12 | 76.1° | 174.4° |
| C14 | C17 | C18 | C19 | 179.3° | 180.0° |
| C17 | C14 | C13 | H8 | 117.1° | 120.0° |
| C17 | C14 | C13 | C12 | 63.8° | 178.6° |
| C17 | C14 | C13 | H6 | 56.1° | 58.7° |
| C17 | C14 | C13 | H7 | 176.2° | 61.4° |
| C17 | C14 | C15 | H9 | 52.0° | 58.7° |
| C17 | C14 | C15 | H10 | 171.3° | 61.4° |
| C14 | C17 | C18 | H13 | 0.8° | 0.1° |
| C14 | C17 | C22 | H17 | 0.2° | 0.3° |
| C17 | C18 | C19 | H13 | 180.0° | 180.0° |
| C18 | C17 | C14 | C13 | 62.1° | 120.0° |
| C18 | C17 | C14 | H8 | 55.1° | 0.0° |
| C17 | C18 | C19 | H14 | 179.8° | 180.0° |
| C18 | C17 | C22 | H17 | 179.6° | 180.0° |
| C14 | C13 | C12 | N1 | 58.2° | 54.6° |
| C14 | C13 | C12 | H6 | 120.0° | 119.9° |
| C14 | C13 | C12 | H7 | 120.0° | 120.0° |
| C14 | C13 | C12 | H4 | 178.5° | 174.4° |
| C14 | C13 | C12 | H5 | 62.2° | 65.3° |
| C14 | C13 | H6 | H7 | 120.1° | 120.1° |
| C13 | C14 | C15 | H9 | 177.5° | 178.7° |
| C13 | C14 | C15 | H10 | 63.2° | 58.6° |
| O2 | C11 | N1 | C9 | 174.5° | 180.0° |
| O2 | C11 | N1 | C12 | 178.8° | 175.9° |
| O2 | C11 | C9 | C10 | 93.7° | 45.6° |
| O2 | C11 | C9 | C8 | 89.8° | 134.4° |
| C11 | N1 | C12 | C13 | 141.5° | 126.4° |
| N1 | C11 | C9 | C10 | 80.9° | 134.4° |
| N1 | C11 | C9 | C8 | 95.5° | 45.6° |
| C11 | N1 | C12 | H4 | 21.2° | 6.6° |
| C11 | N1 | C12 | H5 | 98.1° | 113.8° |
| C11 | N1 | C16 | H11 | 27.9° | 113.8° |
| C11 | N1 | C16 | H12 | 90.8° | 6.5° |
| C12 | N1 | C11 | C9 | 6.7° | 4.1° |
| N1 | C12 | C13 | H4 | 120.3° | 119.8° |
| N1 | C12 | C13 | H5 | 120.3° | 119.9° |
| N1 | C12 | H4 | H5 | 119.0° | 120.4° |
| N1 | C12 | C13 | H6 | 178.1° | 174.6° |
| N1 | C12 | C13 | H7 | 61.8° | 65.3° |
| C12 | N1 | C16 | H11 | 160.0° | 66.3° |
| C12 | N1 | C16 | H12 | 81.2° | 173.4° |
| C11 | C9 | C10 | C8 | 176.6° | 180.0° |
| C11 | C9 | C10 | C5 | 174.9° | 180.0° |
| C11 | C9 | C8 | C7 | 176.4° | 180.0° |
| C11 | C9 | C10 | H3 | 5.1° | 0.2° |
| C11 | C9 | C8 | H23 | 3.5° | 0.0° |
| C13 | C12 | H4 | H5 | 118.9° | 120.3° |
| C12 | C13 | H6 | H7 | 120.1° | 120.1° |
| C12 | C13 | C14 | H8 | 179.0° | 58.6° |
| N | C | C1 | C24 | 44.2° | 0.1° |
| N | C | C1 | O | 178.6° | 179.8° |
| N | C | C1 | C2 | 139.9° | 179.8° |
| C | N | H1 | H2 | 180.0° | 179.9° |
| C9 | C10 | C5 | H3 | 180.0° | 179.8° |
| C9 | C10 | C5 | O1 | 170.5° | 180.0° |
| C9 | C10 | C5 | C6 | 2.8° | 0.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C10 | C9 | C8 | H23 | 180.0° | 180.0° |
| C5 | C10 | C9 | C8 | 1.7° | 0.0° |
| C10 | C5 | O1 | C4 | 104.4° | 1.1° |
| C10 | C5 | O1 | C6 | 173.3° | 180.0° |
| C10 | C5 | C6 | C7 | 2.2° | 0.0° |
| C10 | C5 | C6 | H21 | 177.8° | 180.0° |
| C9 | C8 | C7 | H23 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.6° | 0.0° |
| C8 | C9 | C10 | H3 | 178.3° | 179.8° |
| C9 | C8 | C7 | H22 | 179.4° | 179.9° |
| C23 | C24 | C1 | H19 | 180.0° | 180.0° |
| C24 | C23 | C4 | H18 | 180.0° | 179.9° |
| C23 | C24 | C1 | C | 174.3° | 180.0° |
| C23 | C24 | C1 | C2 | 1.6° | 0.3° |
| C24 | C23 | C4 | O1 | 179.9° | 180.0° |
| C24 | C23 | C4 | C3 | 0.5° | 0.3° |
| C1 | C24 | C23 | C4 | 0.6° | 0.0° |
| C24 | C1 | C | C2 | 175.9° | 179.7° |
| C24 | C1 | C | O | 137.3° | 179.7° |
| C24 | C1 | C2 | C3 | 1.5° | 0.3° |
| C24 | C1 | C2 | H15 | 178.5° | 179.7° |
| C1 | C24 | C23 | H18 | 179.4° | 180.0° |
| C23 | C4 | O1 | C3 | 179.6° | 179.7° |
| C23 | C4 | O1 | C5 | 34.7° | 90.4° |
| C23 | C4 | C3 | C2 | 0.6° | 0.4° |
| C4 | C23 | C24 | H19 | 179.4° | 180.0° |
| C23 | C4 | C3 | H20 | 179.4° | 179.7° |
| C | C1 | C2 | C3 | 174.6° | 180.0° |
| C1 | C | N | H1 | 178.5° | 179.7° |
| C1 | C | N | H2 | 1.5° | 0.2° |
| C | C1 | C2 | H15 | 5.4° | 0.0° |
| C | C1 | C24 | H19 | 5.7° | 0.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C | O | 38.6° | 0.1° |
| C1 | C2 | C3 | H15 | 180.0° | 180.0° |
| C2 | C1 | C24 | H19 | 178.4° | 179.7° |
| C1 | C2 | C3 | H20 | 179.6° | 180.0° |
| C4 | O1 | C5 | C6 | 82.3° | 178.9° |
| O1 | C4 | C3 | C2 | 179.8° | 180.0° |
| O1 | C4 | C23 | H18 | 0.0° | 0.1° |
| O1 | C4 | C3 | H20 | 0.2° | 0.0° |
| C3 | C4 | O1 | C5 | 145.7° | 89.9° |
| C4 | C3 | C2 | H20 | 180.0° | 180.0° |
| C4 | C3 | C2 | H15 | 179.6° | 180.0° |
| C3 | C4 | C23 | H18 | 179.5° | 179.7° |
| O | C | N | H1 | 0.0° | 0.1° |
| O | C | N | H2 | 180.0° | 180.0° |
| O1 | C5 | C6 | C7 | 170.9° | 180.0° |
| O1 | C5 | C10 | H3 | 9.4° | 0.2° |
| O1 | C5 | C6 | H21 | 9.2° | 0.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H21 | 180.0° | 180.0° |
| C6 | C5 | C10 | H3 | 177.2° | 179.8° |
| C5 | C6 | C7 | H22 | 179.5° | 180.0° |
| C8 | C7 | C6 | H22 | 180.0° | 180.0° |
| C8 | C7 | C6 | H21 | 179.5° | 180.0° |
| C6 | C7 | C8 | H23 | 179.4° | 180.0° |
| H4 | C12 | C13 | H6 | 61.5° | 65.6° |
| H4 | C12 | C13 | H7 | 58.5° | 54.5° |
| H5 | C12 | C13 | H6 | 57.8° | 54.6° |
| H5 | C12 | C13 | H7 | 177.8° | 174.7° |
| H6 | C13 | C14 | H8 | 61.0° | 61.3° |
| H7 | C13 | C14 | H8 | 59.1° | 178.6° |
| H8 | C14 | C15 | H9 | 67.2° | 61.3° |
| H8 | C14 | C15 | H10 | 52.0° | 178.6° |
| H9 | C15 | C16 | H11 | 74.4° | 54.8° |
| H9 | C15 | C16 | H12 | 44.3° | 65.6° |
| H10 | C15 | C16 | H11 | 44.8° | 174.8° |
| H10 | C15 | C16 | H12 | 163.5° | 54.4° |
| H13 | C18 | C19 | H14 | 0.2° | 0.0° |
| H15 | C2 | C3 | H20 | 0.4° | 0.0° |
| H16 | C21 | C22 | H17 | 0.9° | 0.6° |
| H18 | C23 | C24 | H19 | 0.6° | 0.0° |
| H21 | C6 | C7 | H22 | 0.5° | 0.0° |
| H22 | C7 | C8 | H23 | 0.6° | 0.0° |
