238
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C19 | sing | 1.35Å | 1.36Å | |
| C19 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C17 | sing | 1.40Å | 1.47Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | doub | 1.39Å | 1.44Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.48Å | 1.51Å | Aromatic |
| C16 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C13 | doub | 1.40Å | 1.48Å | Aromatic |
| C12 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | C8 | sing | 1.39Å | 1.47Å | Aromatic |
| C23 | C3 | sing | 1.48Å | 1.48Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.42Å | Aromatic |
| N1 | C7 | sing | 1.33Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.42Å | 1.41Å | Aromatic |
| C7 | C11 | doub | 1.41Å | 1.45Å | Aromatic |
| C11 | C15 | sing | 1.36Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | doub | 1.39Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | C10 | sing | 1.37Å | 1.40Å | Aromatic |
| C14 | CL1 | sing | 1.74Å | 1.71Å | |
| C10 | C6 | doub | 1.40Å | 1.45Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | C4 | sing | 1.46Å | 1.47Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.50Å | |
| C4 | C2 | doub | 1.39Å | 1.45Å | Aromatic |
| C5 | O2 | doub | 1.21Å | 1.21Å | |
| C5 | O1 | sing | 1.35Å | 1.30Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.43Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C19 | C22 | 122.0° | 120.1° |
| F1 | C19 | C17 | 119.4° | 120.1° |
| C22 | C19 | C17 | 118.6° | 119.8° |
| C19 | C22 | C21 | 121.7° | 120.1° |
| C19 | C22 | H22 | 119.1° | 119.9° |
| C19 | C17 | C18 | 120.5° | 119.7° |
| C19 | C17 | C16 | 125.5° | 120.1° |
| C21 | C22 | H22 | 119.2° | 119.9° |
| C22 | C21 | C20 | 118.8° | 120.3° |
| C22 | C21 | H21 | 120.6° | 119.9° |
| C20 | C21 | H21 | 120.6° | 119.8° |
| C21 | C20 | C18 | 120.3° | 120.2° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C18 | C20 | H20 | 119.9° | 119.8° |
| C20 | C18 | C17 | 118.0° | 119.9° |
| C20 | C18 | H18 | 121.0° | 120.1° |
| C17 | C18 | H18 | 121.0° | 120.0° |
| C18 | C17 | C16 | 114.0° | 120.2° |
| C17 | C16 | C12 | 115.2° | 120.1° |
| C17 | C16 | C13 | 123.0° | 120.0° |
| C12 | C16 | C13 | 121.7° | 120.0° |
| C16 | C12 | C8 | 122.3° | 120.0° |
| C16 | C12 | H12 | 118.8° | 120.0° |
| C16 | C13 | C9 | 117.0° | 120.0° |
| C16 | C13 | H13 | 121.5° | 120.0° |
| C8 | C12 | H12 | 118.9° | 120.0° |
| C12 | C8 | C23 | 115.8° | 120.0° |
| C12 | C8 | H8 | 122.1° | 120.0° |
| C9 | C13 | H13 | 121.5° | 120.0° |
| C13 | C9 | C23 | 119.2° | 120.0° |
| C13 | C9 | H9 | 120.4° | 120.1° |
| C23 | C9 | H9 | 120.4° | 120.0° |
| C9 | C23 | C8 | 124.0° | 120.0° |
| C9 | C23 | C3 | 119.5° | 120.0° |
| C8 | C23 | C3 | 116.5° | 120.0° |
| C23 | C8 | H8 | 122.1° | 120.1° |
| C23 | C3 | C2 | 131.5° | 118.8° |
| C23 | C3 | N1 | 106.8° | 118.9° |
| C2 | C3 | N1 | 121.8° | 122.3° |
| C3 | C2 | C4 | 114.9° | 119.4° |
| C3 | C2 | C1 | 122.4° | 120.3° |
| C3 | N1 | C7 | 122.9° | 122.3° |
| N1 | C7 | C6 | 119.9° | 120.0° |
| N1 | C7 | C11 | 118.1° | 121.1° |
| C6 | C7 | C11 | 122.0° | 119.0° |
| C7 | C6 | C10 | 118.6° | 119.8° |
| C7 | C6 | C4 | 118.0° | 118.7° |
| C7 | C11 | C15 | 119.3° | 119.7° |
| C7 | C11 | H11 | 120.4° | 120.1° |
| C15 | C11 | H11 | 120.4° | 120.1° |
| C11 | C15 | C14 | 118.5° | 121.1° |
| C11 | C15 | H15 | 120.7° | 119.5° |
| C14 | C15 | H15 | 120.8° | 119.5° |
| C15 | C14 | C10 | 121.4° | 120.8° |
| C15 | C14 | CL1 | 120.8° | 119.6° |
| C10 | C14 | CL1 | 117.8° | 119.6° |
| C14 | C10 | C6 | 120.3° | 119.6° |
| C14 | C10 | H10 | 119.9° | 120.2° |
| C6 | C10 | H10 | 119.9° | 120.2° |
| C10 | C6 | C4 | 123.4° | 121.5° |
| C6 | C4 | C5 | 118.9° | 121.3° |
| C6 | C4 | C2 | 122.5° | 117.3° |
| C5 | C4 | C2 | 118.5° | 121.3° |
| C4 | C5 | O2 | 118.0° | 120.0° |
| C4 | C5 | O1 | 121.4° | 120.0° |
| C4 | C2 | C1 | 122.7° | 120.3° |
| O2 | C5 | O1 | 120.6° | 120.0° |
| C5 | O1 | HO1 | 109.5° | 117.0° |
| C2 | C1 | H11A | 109.5° | 109.5° |
| C2 | C1 | H12A | 109.5° | 109.5° |
| C2 | C1 | H13A | 109.5° | 109.5° |
| H11A | C1 | H12A | 109.5° | 109.5° |
| H11A | C1 | H13A | 109.4° | 109.4° |
| H12A | C1 | H13A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C19 | C22 | C17 | 179.2° | 179.6° |
| F1 | C19 | C22 | C21 | 175.3° | 180.0° |
| F1 | C19 | C22 | H22 | 4.7° | 0.1° |
| F1 | C19 | C17 | C18 | 179.2° | 179.8° |
| F1 | C19 | C17 | C16 | 2.5° | 0.1° |
| C19 | C22 | C21 | H22 | 180.0° | 179.9° |
| C19 | C22 | C21 | C20 | 14.4° | 0.0° |
| C19 | C22 | C21 | H21 | 165.6° | 179.9° |
| C22 | C19 | C17 | C18 | 0.1° | 0.6° |
| C22 | C19 | C17 | C16 | 176.8° | 179.7° |
| C17 | C19 | C22 | C21 | 5.4° | 0.4° |
| C17 | C19 | C22 | H22 | 174.6° | 179.7° |
| C19 | C17 | C18 | C20 | 3.6° | 0.5° |
| C19 | C17 | C18 | C16 | 177.1° | 179.7° |
| C19 | C17 | C18 | H18 | 176.4° | 179.6° |
| C19 | C17 | C16 | C12 | 56.5° | 130.0° |
| C19 | C17 | C16 | C13 | 127.8° | 50.4° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | C18 | 18.1° | 0.1° |
| C22 | C21 | C20 | H20 | 161.9° | 180.0° |
| H22 | C22 | C21 | C20 | 165.6° | 180.0° |
| H22 | C22 | C21 | H21 | 14.4° | 0.0° |
| C21 | C20 | C18 | H20 | 180.0° | 179.9° |
| C21 | C20 | C18 | C17 | 12.6° | 0.2° |
| C21 | C20 | C18 | H18 | 167.4° | 180.0° |
| H21 | C21 | C20 | C18 | 161.9° | 180.0° |
| H21 | C21 | C20 | H20 | 18.1° | 0.1° |
| C20 | C18 | C17 | H18 | 180.0° | 179.9° |
| C20 | C18 | C17 | C16 | 173.5° | 179.8° |
| H20 | C20 | C18 | C17 | 167.4° | 179.7° |
| H20 | C20 | C18 | H18 | 12.6° | 0.1° |
| C18 | C17 | C16 | C12 | 120.3° | 49.7° |
| C18 | C17 | C16 | C13 | 55.3° | 130.0° |
| H18 | C18 | C17 | C16 | 6.5° | 0.1° |
| C17 | C16 | C12 | C13 | 175.8° | 179.6° |
| C17 | C16 | C12 | C8 | 177.0° | 180.0° |
| C17 | C16 | C12 | H12 | 3.0° | 0.2° |
| C17 | C16 | C13 | C9 | 176.7° | 179.9° |
| C17 | C16 | C13 | H13 | 3.3° | 0.0° |
| C16 | C12 | C8 | H12 | 180.0° | 179.9° |
| C12 | C16 | C13 | C9 | 1.3° | 0.3° |
| C12 | C16 | C13 | H13 | 178.7° | 179.6° |
| C16 | C12 | C8 | C23 | 0.2° | 0.1° |
| C16 | C12 | C8 | H8 | 179.8° | 179.9° |
| C13 | C16 | C12 | C8 | 1.3° | 0.3° |
| C13 | C16 | C12 | H12 | 178.7° | 179.8° |
| C16 | C13 | C9 | H13 | 180.0° | 180.0° |
| C16 | C13 | C9 | C23 | 0.4° | 0.0° |
| C16 | C13 | C9 | H9 | 179.7° | 180.0° |
| C12 | C8 | C23 | C9 | 0.7° | 0.2° |
| C12 | C8 | C23 | H8 | 180.0° | 179.9° |
| C12 | C8 | C23 | C3 | 179.4° | 180.0° |
| H12 | C12 | C8 | C23 | 179.8° | 179.9° |
| H12 | C12 | C8 | H8 | 0.2° | 0.0° |
| C13 | C9 | C23 | H9 | 180.0° | 180.0° |
| C13 | C9 | C23 | C8 | 0.7° | 0.3° |
| C13 | C9 | C23 | C3 | 179.3° | 180.0° |
| H13 | C13 | C9 | C23 | 179.6° | 179.9° |
| H13 | C13 | C9 | H9 | 0.4° | 0.0° |
| C9 | C23 | C8 | C3 | 178.6° | 179.8° |
| C9 | C23 | C8 | H8 | 179.3° | 179.8° |
| C9 | C23 | C3 | C2 | 133.4° | 145.0° |
| C9 | C23 | C3 | N1 | 48.5° | 34.8° |
| H9 | C9 | C23 | C8 | 179.3° | 179.7° |
| H9 | C9 | C23 | C3 | 0.7° | 0.1° |
| C8 | C23 | C3 | C2 | 47.9° | 35.2° |
| C8 | C23 | C3 | N1 | 130.2° | 145.0° |
| C3 | C23 | C8 | H8 | 0.6° | 0.0° |
| C23 | C3 | C2 | N1 | 177.8° | 179.8° |
| C23 | C3 | N1 | C7 | 179.9° | 179.9° |
| C23 | C3 | C2 | C4 | 178.8° | 179.7° |
| C23 | C3 | C2 | C1 | 1.1° | 0.1° |
| C2 | C3 | N1 | C7 | 1.5° | 0.3° |
| C3 | C2 | C4 | C6 | 0.1° | 0.5° |
| C3 | C2 | C4 | C5 | 178.4° | 179.8° |
| C3 | C2 | C4 | C1 | 179.9° | 179.8° |
| C3 | C2 | C1 | H11A | 35.7° | 90.0° |
| C3 | C2 | C1 | H12A | 84.3° | 150.0° |
| C3 | C2 | C1 | H13A | 155.7° | 29.9° |
| C3 | N1 | C7 | C6 | 0.8° | 0.1° |
| C3 | N1 | C7 | C11 | 179.1° | 180.0° |
| N1 | C3 | C2 | C4 | 1.0° | 0.5° |
| N1 | C3 | C2 | C1 | 178.9° | 179.7° |
| N1 | C7 | C6 | C11 | 180.0° | 179.9° |
| N1 | C7 | C11 | C15 | 179.8° | 179.9° |
| N1 | C7 | C11 | H11 | 0.2° | 0.1° |
| N1 | C7 | C6 | C10 | 179.5° | 179.9° |
| N1 | C7 | C6 | C4 | 0.3° | 0.1° |
| C6 | C7 | C11 | C15 | 0.2° | 0.0° |
| C6 | C7 | C11 | H11 | 179.8° | 180.0° |
| C7 | C6 | C10 | C14 | 0.5° | 0.0° |
| C7 | C6 | C10 | C4 | 179.2° | 180.0° |
| C7 | C6 | C10 | H10 | 179.5° | 180.0° |
| C7 | C6 | C4 | C5 | 177.7° | 180.0° |
| C7 | C6 | C4 | C2 | 0.8° | 0.3° |
| C7 | C11 | C15 | H11 | 180.0° | 180.0° |
| C7 | C11 | C15 | C14 | 0.0° | 0.0° |
| C7 | C11 | C15 | H15 | 180.0° | 180.0° |
| C11 | C7 | C6 | C10 | 0.5° | 0.0° |
| C11 | C7 | C6 | C4 | 179.7° | 180.0° |
| C11 | C15 | C14 | H15 | 180.0° | 179.9° |
| C11 | C15 | C14 | C10 | 0.0° | 0.0° |
| C11 | C15 | C14 | CL1 | 179.6° | 179.9° |
| H11 | C11 | C15 | C14 | 180.0° | 179.9° |
| H11 | C11 | C15 | H15 | 0.0° | 0.0° |
| C15 | C14 | C10 | CL1 | 179.6° | 180.0° |
| C15 | C14 | C10 | C6 | 0.3° | 0.1° |
| C15 | C14 | C10 | H10 | 179.7° | 180.0° |
| H15 | C15 | C14 | C10 | 180.0° | 180.0° |
| H15 | C15 | C14 | CL1 | 0.4° | 0.0° |
| C14 | C10 | C6 | H10 | 180.0° | 179.9° |
| C14 | C10 | C6 | C4 | 179.7° | 180.0° |
| CL1 | C14 | C10 | C6 | 179.3° | 179.9° |
| CL1 | C14 | C10 | H10 | 0.7° | 0.0° |
| C10 | C6 | C4 | C5 | 1.5° | 0.0° |
| C10 | C6 | C4 | C2 | 180.0° | 179.7° |
| H10 | C10 | C6 | C4 | 0.3° | 0.1° |
| C6 | C4 | C5 | C2 | 178.6° | 179.7° |
| C6 | C4 | C5 | O2 | 101.9° | 90.0° |
| C6 | C4 | C5 | O1 | 79.1° | 90.0° |
| C6 | C4 | C2 | C1 | 180.0° | 179.7° |
| C4 | C5 | O2 | O1 | 179.0° | 179.9° |
| C4 | C5 | O1 | HO1 | 179.0° | 180.0° |
| C5 | C4 | C2 | C1 | 1.5° | 0.0° |
| C2 | C4 | C5 | O2 | 76.7° | 89.8° |
| C2 | C4 | C5 | O1 | 102.3° | 90.3° |
| C4 | C2 | C1 | H11A | 144.4° | 89.7° |
| C4 | C2 | C1 | H12A | 95.6° | 30.3° |
| C4 | C2 | C1 | H13A | 24.4° | 150.3° |
| O2 | C5 | O1 | HO1 | 0.0° | 0.1° |
| C2 | C1 | H11A | H12A | 120.0° | 120.0° |
| C2 | C1 | H11A | H13A | 120.0° | 120.0° |
| C2 | C1 | H12A | H13A | 120.0° | 120.0° |
| H11A | C1 | H12A | H13A | 120.0° | 119.9° |
