1EA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C22 | doub | 1.21Å | 1.22Å | |
| O2 | C22 | sing | 1.35Å | 1.22Å | |
| C25 | C24 | sing | 1.53Å | 1.29Å | |
| C22 | C3 | sing | 1.48Å | 1.51Å | |
| C24 | C26 | sing | 1.53Å | 1.46Å | |
| C24 | C14 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.39Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.46Å | 1.47Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.45Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.48Å | Aromatic |
| C1 | C10 | sing | 1.48Å | 1.46Å | |
| C1 | N1 | doub | 1.32Å | 1.31Å | Aromatic |
| O3 | C13 | sing | 1.36Å | 1.35Å | |
| O3 | C16 | sing | 1.36Å | 1.32Å | |
| C10 | C11 | doub | 1.40Å | 1.46Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| F1 | C6 | sing | 1.35Å | 1.27Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | C23 | sing | 1.51Å | 1.50Å | |
| C16 | C21 | sing | 1.39Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C22 | O2 | 124.6° | 120.0° |
| O1 | C22 | C3 | 115.8° | 120.0° |
| O2 | C22 | C3 | 119.7° | 120.0° |
| C22 | O2 | H1 | 109.5° | 117.0° |
| C25 | C24 | C26 | 118.5° | 109.5° |
| C25 | C24 | C14 | 126.1° | 109.5° |
| C25 | C24 | H3 | 96.6° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H4 | 109.5° | 109.4° |
| C22 | C3 | C2 | 118.6° | 121.4° |
| C22 | C3 | C4 | 123.8° | 121.3° |
| C26 | C24 | C14 | 112.1° | 109.4° |
| C26 | C24 | H3 | 95.8° | 109.5° |
| C24 | C26 | H262 | 109.5° | 109.5° |
| C24 | C26 | H261 | 109.4° | 109.5° |
| C24 | C26 | H263 | 109.5° | 109.5° |
| C24 | C14 | C15 | 113.6° | 120.0° |
| C24 | C14 | C13 | 126.3° | 119.9° |
| C14 | C24 | H3 | 95.7° | 109.5° |
| C2 | C3 | C4 | 117.6° | 117.3° |
| C3 | C2 | C1 | 121.6° | 119.4° |
| C3 | C2 | H2 | 119.2° | 120.3° |
| C3 | C4 | C5 | 125.4° | 121.5° |
| C3 | C4 | C9 | 115.3° | 118.7° |
| C2 | C1 | C10 | 117.0° | 118.9° |
| C2 | C1 | N1 | 123.5° | 122.3° |
| C1 | C2 | H2 | 119.2° | 120.3° |
| C15 | C14 | C13 | 119.6° | 120.1° |
| C14 | C15 | C10 | 122.4° | 119.9° |
| C14 | C15 | H15 | 118.8° | 120.0° |
| C14 | C13 | O3 | 118.5° | 120.0° |
| C14 | C13 | C12 | 118.4° | 120.1° |
| C15 | C10 | C1 | 117.9° | 120.1° |
| C15 | C10 | C11 | 118.3° | 119.9° |
| C10 | C15 | H15 | 118.8° | 120.0° |
| C4 | C5 | C6 | 120.8° | 119.6° |
| C5 | C4 | C9 | 119.3° | 119.8° |
| C4 | C5 | H5 | 119.6° | 120.2° |
| C5 | C6 | F1 | 118.2° | 119.6° |
| C5 | C6 | C7 | 120.7° | 120.8° |
| C6 | C5 | H5 | 119.6° | 120.2° |
| C4 | C9 | N1 | 121.9° | 119.9° |
| C4 | C9 | C8 | 116.5° | 119.0° |
| C10 | C1 | N1 | 119.4° | 118.9° |
| C1 | C10 | C11 | 123.8° | 120.0° |
| C1 | N1 | C9 | 119.9° | 122.4° |
| C13 | O3 | C16 | 125.8° | 118.0° |
| O3 | C13 | C12 | 122.9° | 119.9° |
| O3 | C16 | C17 | 118.1° | 120.0° |
| O3 | C16 | C21 | 122.0° | 120.1° |
| C10 | C11 | C12 | 119.1° | 119.9° |
| C10 | C11 | C23 | 120.8° | 120.0° |
| C13 | C12 | C11 | 122.2° | 120.1° |
| C13 | C12 | H12 | 118.9° | 120.0° |
| F1 | C6 | C7 | 121.1° | 119.6° |
| C6 | C7 | C8 | 121.3° | 121.1° |
| C6 | C7 | H7 | 119.4° | 119.4° |
| C16 | C17 | C18 | 120.2° | 119.9° |
| C17 | C16 | C21 | 119.9° | 119.9° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.1° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.1° |
| C12 | C11 | C23 | 120.1° | 120.1° |
| C11 | C12 | H12 | 118.9° | 120.0° |
| N1 | C9 | C8 | 121.5° | 121.1° |
| C9 | C8 | C7 | 121.3° | 119.7° |
| C9 | C8 | H8 | 119.3° | 120.2° |
| C11 | C23 | H232 | 109.5° | 109.5° |
| C11 | C23 | H233 | 109.5° | 109.4° |
| C11 | C23 | H231 | 109.5° | 109.5° |
| C16 | C21 | C20 | 119.3° | 120.0° |
| C16 | C21 | H21 | 120.4° | 120.0° |
| C18 | C19 | C20 | 119.5° | 120.1° |
| C18 | C19 | H19 | 120.3° | 119.9° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C8 | C7 | H7 | 119.3° | 119.5° |
| C7 | C8 | H8 | 119.4° | 120.1° |
| C21 | C20 | C19 | 120.5° | 120.0° |
| C20 | C21 | H21 | 120.3° | 120.0° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| C19 | C20 | H20 | 119.8° | 119.9° |
| C20 | C19 | H19 | 120.2° | 119.9° |
| H262 | C26 | H261 | 109.4° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.4° | 109.5° |
| H252 | C25 | H4 | 109.5° | 109.4° |
| H251 | C25 | H4 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.4° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C22 | O2 | C3 | 178.7° | 179.7° |
| O1 | C22 | C3 | C2 | 27.8° | 174.4° |
| O1 | C22 | C3 | C4 | 153.1° | 5.4° |
| O1 | C22 | O2 | H1 | 0.0° | 0.0° |
| O2 | C22 | C3 | C2 | 153.3° | 5.9° |
| O2 | C22 | C3 | C4 | 25.8° | 174.3° |
| C25 | C24 | C26 | C14 | 160.7° | 120.0° |
| C25 | C24 | C26 | H3 | 100.7° | 120.1° |
| C25 | C24 | C14 | H3 | 102.4° | 120.0° |
| C25 | C24 | C14 | C15 | 37.1° | 60.0° |
| C25 | C24 | C14 | C13 | 151.5° | 119.9° |
| C25 | C24 | C26 | H262 | 180.0° | 59.9° |
| C25 | C24 | C26 | H261 | 60.0° | 60.0° |
| C25 | C24 | C26 | H263 | 60.0° | 180.0° |
| C24 | C25 | H252 | H251 | 120.0° | 120.1° |
| C24 | C25 | H252 | H4 | 120.0° | 119.9° |
| C24 | C25 | H251 | H4 | 120.0° | 120.0° |
| C22 | C3 | C2 | C4 | 179.2° | 179.8° |
| C22 | C3 | C2 | C1 | 179.2° | 179.7° |
| C22 | C3 | C4 | C5 | 1.2° | 0.0° |
| C22 | C3 | C4 | C9 | 179.6° | 180.0° |
| C3 | C22 | O2 | H1 | 178.7° | 179.8° |
| C22 | C3 | C2 | H2 | 0.8° | 0.1° |
| C26 | C24 | C14 | H3 | 98.6° | 120.0° |
| C26 | C24 | C14 | C15 | 121.8° | 60.0° |
| C26 | C24 | C14 | C13 | 49.6° | 120.1° |
| C24 | C26 | H262 | H261 | 120.0° | 120.0° |
| C24 | C26 | H262 | H263 | 120.0° | 120.0° |
| C24 | C26 | H261 | H263 | 120.0° | 120.0° |
| C26 | C24 | C25 | H252 | 180.0° | 59.9° |
| C26 | C24 | C25 | H251 | 60.0° | 180.0° |
| C26 | C24 | C25 | H4 | 60.0° | 60.0° |
| C24 | C14 | C15 | C13 | 172.0° | 179.9° |
| C24 | C14 | C15 | C10 | 174.6° | 180.0° |
| C24 | C14 | C13 | O3 | 10.1° | 0.1° |
| C24 | C14 | C13 | C12 | 174.0° | 180.0° |
| C24 | C14 | C15 | H15 | 5.4° | 0.1° |
| C14 | C24 | C26 | H262 | 19.3° | 60.0° |
| C14 | C24 | C26 | H261 | 100.7° | 180.0° |
| C14 | C24 | C26 | H263 | 139.3° | 60.0° |
| C14 | C24 | C25 | H252 | 22.3° | 60.0° |
| C14 | C24 | C25 | H251 | 142.2° | 60.0° |
| C14 | C24 | C25 | H4 | 97.7° | 179.9° |
| C3 | C2 | C1 | H2 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 179.7° | 179.7° |
| C2 | C3 | C4 | C9 | 1.2° | 0.3° |
| C3 | C2 | C1 | C10 | 179.3° | 179.8° |
| C3 | C2 | C1 | N1 | 2.6° | 0.6° |
| C4 | C3 | C2 | C1 | 1.6° | 0.5° |
| C3 | C4 | C5 | C9 | 178.4° | 180.0° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C3 | C4 | C9 | N1 | 1.8° | 0.0° |
| C3 | C4 | C9 | C8 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 178.3° | 179.7° |
| C2 | C1 | C10 | C15 | 53.5° | 47.3° |
| C2 | C1 | C10 | N1 | 178.2° | 179.7° |
| C2 | C1 | C10 | C11 | 126.3° | 132.4° |
| C2 | C1 | N1 | C9 | 3.0° | 0.3° |
| C14 | C15 | C10 | H15 | 180.0° | 179.9° |
| C14 | C15 | C10 | C1 | 178.3° | 180.0° |
| C15 | C14 | C13 | O3 | 179.0° | 180.0° |
| C14 | C15 | C10 | C11 | 1.5° | 0.3° |
| C15 | C14 | C13 | C12 | 3.1° | 0.1° |
| C15 | C14 | C24 | H3 | 139.6° | 180.0° |
| C13 | C14 | C15 | C10 | 2.6° | 0.0° |
| C14 | C13 | O3 | C12 | 175.7° | 179.9° |
| C14 | C13 | O3 | C16 | 132.4° | 174.6° |
| C14 | C13 | C12 | C11 | 2.7° | 0.4° |
| C13 | C14 | C15 | H15 | 177.4° | 180.0° |
| C13 | C14 | C24 | H3 | 49.0° | 0.1° |
| C14 | C13 | C12 | H12 | 177.3° | 179.9° |
| C15 | C10 | C1 | C11 | 179.8° | 179.7° |
| C15 | C10 | C1 | N1 | 128.4° | 132.4° |
| C15 | C10 | C11 | C12 | 1.0° | 0.6° |
| C15 | C10 | C11 | C23 | 179.9° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | F1 | 177.5° | 180.0° |
| C4 | C5 | C6 | C7 | 1.8° | 0.0° |
| C5 | C4 | C9 | N1 | 179.7° | 180.0° |
| C5 | C4 | C9 | C8 | 1.4° | 0.0° |
| C6 | C5 | C4 | C9 | 1.8° | 0.0° |
| C5 | C6 | F1 | C7 | 179.3° | 180.0° |
| C5 | C6 | C7 | C8 | 1.5° | 0.1° |
| C5 | C6 | C7 | H7 | 178.5° | 180.0° |
| C4 | C9 | N1 | C1 | 2.6° | 0.0° |
| C4 | C9 | N1 | C8 | 178.2° | 179.9° |
| C4 | C9 | C8 | C7 | 1.2° | 0.0° |
| C9 | C4 | C5 | H5 | 178.2° | 180.0° |
| C4 | C9 | C8 | H8 | 178.8° | 180.0° |
| C1 | C10 | C11 | C12 | 178.8° | 179.7° |
| C10 | C1 | N1 | C9 | 178.9° | 180.0° |
| C1 | C10 | C11 | C23 | 0.2° | 0.0° |
| C10 | C1 | C2 | H2 | 0.7° | 0.0° |
| C1 | C10 | C15 | H15 | 1.7° | 0.0° |
| N1 | C1 | C10 | C11 | 51.8° | 47.9° |
| C1 | N1 | C9 | C8 | 179.2° | 180.0° |
| N1 | C1 | C2 | H2 | 177.4° | 179.6° |
| C13 | O3 | C16 | C17 | 163.8° | 103.8° |
| O3 | C13 | C12 | C11 | 178.4° | 179.7° |
| C13 | O3 | C16 | C21 | 17.7° | 76.5° |
| O3 | C13 | C12 | H12 | 1.6° | 0.0° |
| C16 | O3 | C13 | C12 | 51.9° | 5.3° |
| O3 | C16 | C17 | C21 | 178.6° | 179.7° |
| O3 | C16 | C17 | C18 | 179.2° | 179.8° |
| O3 | C16 | C21 | C20 | 179.2° | 180.0° |
| O3 | C16 | C21 | H21 | 0.8° | 0.1° |
| O3 | C16 | C17 | H17 | 0.8° | 0.0° |
| C10 | C11 | C12 | C13 | 1.7° | 0.6° |
| C10 | C11 | C12 | C23 | 179.1° | 179.7° |
| C11 | C10 | C15 | H15 | 178.5° | 179.8° |
| C10 | C11 | C12 | H12 | 178.3° | 179.7° |
| C10 | C11 | C23 | H232 | 90.5° | 84.4° |
| C10 | C11 | C23 | H233 | 149.5° | 155.6° |
| C10 | C11 | C23 | H231 | 29.5° | 35.7° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C13 | C12 | C11 | C23 | 179.2° | 179.7° |
| F1 | C6 | C7 | C8 | 177.8° | 180.0° |
| F1 | C6 | C5 | H5 | 2.5° | 0.0° |
| F1 | C6 | C7 | H7 | 2.2° | 0.1° |
| C6 | C7 | C8 | C9 | 1.3° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | H5 | 178.2° | 179.9° |
| C6 | C7 | C8 | H8 | 178.7° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 1.5° | 0.5° |
| C17 | C16 | C21 | C20 | 0.7° | 0.3° |
| C17 | C16 | C21 | H21 | 179.2° | 179.8° |
| C16 | C17 | C18 | H18 | 178.5° | 179.7° |
| C18 | C17 | C16 | C21 | 0.6° | 0.5° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 2.4° | 0.2° |
| C17 | C18 | C19 | H19 | 177.5° | 179.8° |
| C12 | C11 | C23 | H232 | 90.5° | 95.4° |
| C12 | C11 | C23 | H233 | 29.5° | 24.6° |
| C12 | C11 | C23 | H231 | 149.5° | 144.6° |
| N1 | C9 | C8 | C7 | 179.4° | 179.9° |
| N1 | C9 | C8 | H8 | 0.5° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 178.7° | 180.0° |
| C23 | C11 | C12 | H12 | 0.8° | 0.0° |
| C11 | C23 | H232 | H233 | 120.0° | 120.0° |
| C11 | C23 | H232 | H231 | 120.0° | 120.1° |
| C11 | C23 | H233 | H231 | 120.0° | 120.0° |
| C16 | C21 | C20 | H21 | 180.0° | 179.9° |
| C16 | C21 | C20 | C19 | 1.7° | 0.0° |
| C16 | C21 | C20 | H20 | 178.3° | 180.0° |
| C21 | C16 | C17 | H17 | 179.4° | 179.7° |
| C18 | C19 | C20 | C21 | 2.6° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 177.4° | 180.0° |
| C19 | C18 | C17 | H17 | 178.5° | 179.7° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | H19 | 177.4° | 180.0° |
| C19 | C20 | C21 | H21 | 178.3° | 179.9° |
| C20 | C19 | C18 | H18 | 177.6° | 180.0° |
| H7 | C7 | C8 | H8 | 1.3° | 0.0° |
| H3 | C24 | C26 | H262 | 79.3° | 180.0° |
| H3 | C24 | C26 | H261 | 160.7° | 60.0° |
| H3 | C24 | C26 | H263 | 40.7° | 60.0° |
| H3 | C24 | C25 | H252 | 79.7° | 180.0° |
| H3 | C24 | C25 | H251 | 40.2° | 60.0° |
| H3 | C24 | C25 | H4 | 160.3° | 60.0° |
| H262 | C26 | H261 | H263 | 120.0° | 120.0° |
| H252 | C25 | H251 | H4 | 120.0° | 120.0° |
| H232 | C23 | H233 | H231 | 120.0° | 120.0° |
| H21 | C21 | C20 | H20 | 1.8° | 0.0° |
| H20 | C20 | C19 | H19 | 2.6° | 0.0° |
| H19 | C19 | C18 | H18 | 2.5° | 0.0° |
| H18 | C18 | C17 | H17 | 1.5° | 0.0° |
