FY4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C9 | doub | 1.22Å | 1.23Å | |
| O18 | N16 | sing | 1.22Å | 1.22Å | |
| O22 | C21 | doub | 1.22Å | 1.22Å | |
| N16 | O19 | doub | 1.22Å | 1.38Å | |
| N16 | C15 | sing | 1.48Å | 1.40Å | |
| C9 | C10 | sing | 1.48Å | 1.51Å | |
| C9 | N8 | sing | 1.35Å | 1.33Å | |
| BR2 | C4 | sing | 1.89Å | 1.88Å | |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C25 | sing | 1.48Å | 1.49Å | |
| C21 | O20 | sing | 1.35Å | 1.43Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| C30 | C25 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | O20 | sing | 1.36Å | 1.36Å | |
| C2 | BR1 | sing | 1.89Å | 1.89Å | |
| C25 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | CL1 | sing | 1.74Å | 1.79Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| N8 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C9 | C10 | 120.1° | 120.0° |
| O17 | C9 | N8 | 122.5° | 120.0° |
| O18 | N16 | O19 | 118.7° | 120.0° |
| O18 | N16 | C15 | 121.6° | 120.0° |
| O22 | C21 | C25 | 125.1° | 120.0° |
| O22 | C21 | O20 | 121.1° | 119.9° |
| O19 | N16 | C15 | 119.6° | 120.0° |
| N16 | C15 | C10 | 122.2° | 120.0° |
| N16 | C15 | C14 | 117.9° | 120.1° |
| C10 | C9 | N8 | 117.3° | 120.0° |
| C9 | C10 | C15 | 124.1° | 120.2° |
| C9 | C10 | C11 | 116.3° | 120.2° |
| C9 | N8 | C7 | 127.1° | 120.0° |
| C9 | N8 | H13 | 116.5° | 120.1° |
| BR2 | C4 | C5 | 119.4° | 120.0° |
| BR2 | C4 | C3 | 120.0° | 119.9° |
| C10 | C15 | C14 | 119.9° | 119.9° |
| C15 | C10 | C11 | 119.6° | 119.7° |
| C15 | C14 | C13 | 120.4° | 120.2° |
| C15 | C14 | H8 | 119.8° | 119.9° |
| C10 | C11 | C12 | 120.3° | 119.9° |
| C10 | C11 | H5 | 119.9° | 120.0° |
| C14 | C13 | C12 | 119.8° | 120.3° |
| C14 | C13 | H7 | 120.1° | 119.9° |
| C13 | C14 | H8 | 119.8° | 119.9° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.5° | 120.1° |
| C4 | C5 | H2 | 120.1° | 120.0° |
| C5 | C6 | C7 | 123.1° | 120.0° |
| C5 | C6 | C1 | 119.6° | 120.0° |
| C6 | C5 | H2 | 120.1° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.0° |
| C4 | C3 | H1 | 120.4° | 119.9° |
| C25 | C21 | O20 | 113.7° | 120.0° |
| C21 | C25 | C30 | 119.9° | 120.2° |
| C21 | C25 | C26 | 119.3° | 120.1° |
| C21 | O20 | C1 | 126.4° | 117.0° |
| C6 | C7 | N8 | 116.4° | 109.5° |
| C7 | C6 | C1 | 117.3° | 120.1° |
| C6 | C7 | H3 | 107.7° | 109.5° |
| C6 | C7 | H4 | 107.7° | 109.4° |
| N8 | C7 | H3 | 107.7° | 109.5° |
| N8 | C7 | H4 | 107.7° | 109.4° |
| C7 | N8 | H13 | 116.4° | 120.0° |
| C25 | C30 | C29 | 119.8° | 119.9° |
| C30 | C25 | C26 | 120.8° | 119.7° |
| C25 | C30 | H12 | 120.1° | 120.1° |
| C30 | C29 | C28 | 119.6° | 120.2° |
| C30 | C29 | H11 | 120.2° | 120.0° |
| C29 | C30 | H12 | 120.1° | 120.1° |
| C6 | C1 | C2 | 121.0° | 119.9° |
| C6 | C1 | O20 | 117.7° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | H5 | 119.8° | 120.1° |
| C11 | C12 | H6 | 120.0° | 120.0° |
| C3 | C2 | C1 | 119.9° | 119.9° |
| C3 | C2 | BR1 | 120.4° | 120.0° |
| C2 | C3 | H1 | 120.4° | 120.0° |
| C13 | C12 | H6 | 120.0° | 119.9° |
| C12 | C13 | H7 | 120.1° | 119.8° |
| C2 | C1 | O20 | 121.2° | 120.1° |
| C1 | C2 | BR1 | 119.7° | 120.0° |
| C25 | C26 | C27 | 119.7° | 119.8° |
| C25 | C26 | H10 | 120.1° | 120.0° |
| C29 | C28 | C27 | 121.2° | 120.2° |
| C29 | C28 | CL1 | 118.1° | 119.9° |
| C28 | C29 | H11 | 120.2° | 119.9° |
| C26 | C27 | C28 | 118.9° | 120.2° |
| C26 | C27 | H9 | 120.5° | 119.9° |
| C27 | C26 | H10 | 120.2° | 120.1° |
| C27 | C28 | CL1 | 120.7° | 119.9° |
| C28 | C27 | H9 | 120.6° | 119.9° |
| H3 | C7 | H4 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C9 | C10 | N8 | 178.9° | 180.0° |
| O17 | C9 | C10 | C15 | 58.9° | 55.2° |
| O17 | C9 | C10 | C11 | 119.8° | 125.1° |
| O17 | C9 | N8 | C7 | 1.0° | 0.1° |
| O17 | C9 | N8 | H13 | 179.0° | 180.0° |
| O18 | N16 | O19 | C15 | 176.6° | 180.0° |
| O18 | N16 | C15 | C10 | 148.9° | 6.9° |
| O18 | N16 | C15 | C14 | 32.2° | 173.4° |
| O22 | C21 | C25 | O20 | 179.5° | 180.0° |
| O22 | C21 | C25 | C30 | 50.0° | 179.7° |
| O22 | C21 | O20 | C1 | 6.7° | 0.0° |
| O22 | C21 | C25 | C26 | 132.3° | 0.0° |
| O19 | N16 | C15 | C10 | 34.6° | 173.2° |
| O19 | N16 | C15 | C14 | 144.2° | 6.6° |
| N16 | C15 | C10 | C9 | 2.1° | 0.0° |
| N16 | C15 | C10 | C14 | 178.8° | 179.7° |
| N16 | C15 | C10 | C11 | 179.2° | 179.7° |
| N16 | C15 | C14 | C13 | 178.8° | 179.7° |
| N16 | C15 | C14 | H8 | 1.2° | 0.0° |
| C9 | C10 | C15 | C11 | 178.7° | 179.7° |
| C9 | C10 | C15 | C14 | 179.1° | 179.7° |
| C10 | C9 | N8 | C7 | 177.9° | 180.0° |
| C9 | C10 | C11 | C12 | 179.6° | 180.0° |
| C9 | C10 | C11 | H5 | 0.4° | 0.1° |
| C10 | C9 | N8 | H13 | 2.1° | 0.1° |
| N8 | C9 | C10 | C15 | 122.2° | 124.9° |
| N8 | C9 | C10 | C11 | 59.1° | 54.9° |
| C9 | N8 | C7 | C6 | 83.5° | 180.0° |
| C9 | N8 | C7 | H13 | 180.0° | 179.9° |
| C9 | N8 | C7 | H3 | 37.5° | 59.9° |
| C9 | N8 | C7 | H4 | 155.5° | 60.1° |
| BR2 | C4 | C5 | C3 | 179.4° | 180.0° |
| BR2 | C4 | C5 | C6 | 179.4° | 179.8° |
| BR2 | C4 | C3 | C2 | 179.6° | 180.0° |
| BR2 | C4 | C3 | H1 | 0.4° | 0.0° |
| BR2 | C4 | C5 | H2 | 0.6° | 0.1° |
| C10 | C15 | C14 | C13 | 0.1° | 0.6° |
| C15 | C10 | C11 | C12 | 0.8° | 0.3° |
| C15 | C10 | C11 | H5 | 179.2° | 179.8° |
| C10 | C15 | C14 | H8 | 179.9° | 179.7° |
| C14 | C15 | C10 | C11 | 0.4° | 0.6° |
| C15 | C14 | C13 | H8 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.2° | 0.3° |
| C15 | C14 | C13 | H7 | 179.8° | 179.7° |
| C10 | C11 | C12 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.8° | 0.0° |
| C10 | C11 | C12 | H6 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | H6 | 179.8° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 1.5° | 0.5° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C5 | C4 | C3 | H1 | 178.9° | 179.9° |
| C6 | C5 | C4 | C3 | 1.2° | 0.3° |
| C5 | C6 | C7 | C1 | 178.5° | 179.5° |
| C5 | C6 | C7 | N8 | 23.1° | 100.1° |
| C5 | C6 | C1 | C2 | 1.7° | 0.5° |
| C5 | C6 | C1 | O20 | 178.5° | 179.7° |
| C5 | C6 | C7 | H3 | 98.0° | 20.0° |
| C5 | C6 | C7 | H4 | 144.1° | 140.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.2° | 0.0° |
| C4 | C3 | C2 | BR1 | 179.3° | 180.0° |
| C3 | C4 | C5 | H2 | 178.8° | 180.0° |
| C21 | C25 | C30 | C26 | 177.7° | 179.7° |
| C21 | C25 | C30 | C29 | 179.2° | 180.0° |
| C25 | C21 | O20 | C1 | 173.8° | 180.0° |
| C21 | C25 | C26 | C27 | 179.0° | 179.9° |
| C21 | C25 | C26 | H10 | 1.0° | 0.0° |
| C21 | C25 | C30 | H12 | 0.8° | 0.0° |
| O20 | C21 | C25 | C30 | 129.6° | 0.3° |
| C21 | O20 | C1 | C6 | 100.7° | 90.2° |
| C21 | O20 | C1 | C2 | 82.5° | 90.0° |
| O20 | C21 | C25 | C26 | 48.1° | 180.0° |
| C6 | C7 | N8 | H3 | 121.0° | 120.1° |
| C6 | C7 | N8 | H4 | 121.0° | 119.9° |
| C7 | C6 | C1 | C2 | 179.8° | 180.0° |
| C7 | C6 | C1 | O20 | 2.9° | 0.2° |
| C7 | C6 | C5 | H2 | 0.1° | 0.3° |
| C6 | C7 | H3 | H4 | 116.8° | 120.0° |
| C6 | C7 | N8 | H13 | 96.5° | 0.1° |
| N8 | C7 | C6 | C1 | 158.5° | 79.4° |
| N8 | C7 | H3 | H4 | 116.8° | 119.9° |
| C25 | C30 | C29 | H12 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.9° | 0.1° |
| C30 | C25 | C26 | C27 | 1.4° | 0.3° |
| C30 | C25 | C26 | H10 | 178.7° | 179.7° |
| C25 | C30 | C29 | H11 | 179.1° | 179.7° |
| C29 | C30 | C25 | C26 | 1.5° | 0.3° |
| C30 | C29 | C28 | H11 | 180.0° | 179.8° |
| C30 | C29 | C28 | C27 | 0.2° | 0.2° |
| C30 | C29 | C28 | CL1 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 1.5° | 0.2° |
| C6 | C1 | C2 | O20 | 176.7° | 179.8° |
| C6 | C1 | C2 | BR1 | 179.0° | 179.8° |
| C1 | C6 | C5 | H2 | 178.5° | 179.8° |
| C1 | C6 | C7 | H3 | 80.5° | 160.5° |
| C1 | C6 | C7 | H4 | 37.4° | 40.5° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | H7 | 179.8° | 180.0° |
| C3 | C2 | C1 | BR1 | 179.5° | 180.0° |
| C3 | C2 | C1 | O20 | 178.3° | 180.0° |
| C13 | C12 | C11 | H5 | 179.3° | 179.9° |
| C12 | C13 | C14 | H8 | 179.8° | 180.0° |
| C1 | C2 | C3 | H1 | 178.8° | 179.9° |
| O20 | C1 | C2 | BR1 | 2.3° | 0.0° |
| BR1 | C2 | C3 | H1 | 0.7° | 0.0° |
| C25 | C26 | C27 | H10 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.6° | 0.0° |
| C25 | C26 | C27 | H9 | 179.4° | 180.0° |
| C26 | C25 | C30 | H12 | 178.5° | 179.7° |
| C29 | C28 | C27 | C26 | 0.0° | 0.3° |
| C29 | C28 | C27 | CL1 | 180.0° | 179.8° |
| C29 | C28 | C27 | H9 | 180.0° | 179.8° |
| C28 | C29 | C30 | H12 | 179.1° | 179.9° |
| C26 | C27 | C28 | H9 | 180.0° | 180.0° |
| C26 | C27 | C28 | CL1 | 179.9° | 179.9° |
| C28 | C27 | C26 | H10 | 179.4° | 180.0° |
| C27 | C28 | C29 | H11 | 179.8° | 180.0° |
| CL1 | C28 | C27 | H9 | 0.1° | 0.0° |
| CL1 | C28 | C29 | H11 | 0.2° | 0.2° |
| H3 | C7 | N8 | H13 | 142.4° | 120.0° |
| H4 | C7 | N8 | H13 | 24.5° | 120.0° |
| H5 | C11 | C12 | H6 | 0.7° | 0.1° |
| H6 | C12 | C13 | H7 | 0.2° | 0.0° |
| H7 | C13 | C14 | H8 | 0.2° | 0.0° |
| H9 | C27 | C26 | H10 | 0.6° | 0.0° |
| H11 | C29 | C30 | H12 | 0.9° | 0.3° |
