FY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C26 | C19 | sing | 1.43Å | 1.28Å | |
| C25 | C21 | sing | 1.48Å | 1.50Å | |
| C19 | N3 | trip | 1.14Å | 1.16Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C21 | O20 | sing | 1.35Å | 1.44Å | |
| O20 | C1 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| N8 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | C10 | sing | 1.48Å | 1.50Å | |
| C9 | O17 | doub | 1.21Å | 1.22Å | |
| C10 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| BR2 | C2 | sing | 1.89Å | 1.89Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.48Å | 1.40Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N16 | O19 | doub | 1.22Å | 1.22Å | |
| N16 | O18 | sing | 1.22Å | 1.38Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | BR1 | sing | 1.89Å | 1.88Å | |
| C29 | H1 | sing | 1.08Å | 1.08Å | |
| C28 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C30 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| N8 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 121.0° | 120.4° |
| C28 | C29 | C30 | 119.5° | 120.4° |
| C28 | C29 | H1 | 120.2° | 119.8° |
| C29 | C28 | H2 | 119.5° | 119.8° |
| C28 | C27 | C26 | 119.6° | 120.0° |
| C27 | C28 | H2 | 119.5° | 119.8° |
| C28 | C27 | H3 | 120.2° | 120.0° |
| C29 | C30 | C25 | 119.6° | 120.0° |
| C30 | C29 | H1 | 120.3° | 119.8° |
| C29 | C30 | H5 | 120.2° | 120.0° |
| C27 | C26 | C25 | 119.7° | 119.6° |
| C27 | C26 | C19 | 118.7° | 120.2° |
| C26 | C27 | H3 | 120.2° | 120.0° |
| C30 | C25 | C26 | 120.5° | 119.6° |
| C30 | C25 | C21 | 117.3° | 120.2° |
| C25 | C30 | H5 | 120.2° | 120.0° |
| C25 | C26 | C19 | 121.6° | 120.2° |
| C26 | C25 | C21 | 122.2° | 120.2° |
| C26 | C19 | N3 | 179.6° | 180.0° |
| C25 | C21 | O22 | 123.2° | 120.0° |
| C25 | C21 | O20 | 115.9° | 120.0° |
| O22 | C21 | O20 | 120.9° | 120.0° |
| C21 | O20 | C1 | 124.7° | 117.0° |
| O20 | C1 | C6 | 118.5° | 120.1° |
| O20 | C1 | C2 | 121.0° | 120.1° |
| C12 | C11 | C10 | 120.0° | 119.9° |
| C11 | C12 | C13 | 120.2° | 120.2° |
| C12 | C11 | H10 | 120.0° | 120.0° |
| C11 | C12 | H11 | 119.9° | 119.9° |
| C11 | C10 | C9 | 117.3° | 120.2° |
| C11 | C10 | C15 | 119.6° | 119.7° |
| C10 | C11 | H10 | 120.0° | 120.1° |
| C12 | C13 | C14 | 119.9° | 120.3° |
| C13 | C12 | H11 | 119.9° | 119.9° |
| C12 | C13 | H12 | 120.0° | 119.9° |
| N8 | C7 | C6 | 115.9° | 109.4° |
| C7 | N8 | C9 | 127.7° | 119.9° |
| N8 | C7 | H7 | 107.8° | 109.5° |
| N8 | C7 | H8 | 107.8° | 109.5° |
| C7 | N8 | H9 | 116.1° | 120.0° |
| C7 | C6 | C1 | 117.9° | 120.0° |
| C7 | C6 | C5 | 122.1° | 120.0° |
| C6 | C7 | H7 | 107.8° | 109.5° |
| C6 | C7 | H8 | 107.8° | 109.5° |
| N8 | C9 | C10 | 120.6° | 119.9° |
| N8 | C9 | O17 | 121.9° | 120.0° |
| C9 | N8 | H9 | 116.2° | 120.1° |
| C10 | C9 | O17 | 117.5° | 120.0° |
| C9 | C10 | C15 | 123.1° | 120.1° |
| C10 | C15 | C14 | 120.1° | 119.9° |
| C10 | C15 | N16 | 122.5° | 120.1° |
| C6 | C1 | C2 | 120.5° | 119.9° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C2 | BR2 | 120.7° | 120.0° |
| C1 | C2 | C3 | 120.0° | 119.9° |
| C13 | C14 | C15 | 120.2° | 120.1° |
| C14 | C13 | H12 | 120.1° | 119.8° |
| C13 | C14 | H13 | 119.9° | 119.9° |
| C6 | C5 | C4 | 119.6° | 120.0° |
| C6 | C5 | H6 | 120.2° | 120.0° |
| BR2 | C2 | C3 | 119.3° | 120.1° |
| C2 | C3 | C4 | 119.5° | 120.1° |
| C2 | C3 | H4 | 120.2° | 120.0° |
| C14 | C15 | N16 | 117.3° | 120.0° |
| C15 | C14 | H13 | 119.9° | 120.0° |
| C15 | N16 | O19 | 120.6° | 120.0° |
| C15 | N16 | O18 | 119.8° | 120.0° |
| C5 | C4 | C3 | 120.4° | 120.1° |
| C5 | C4 | BR1 | 120.2° | 119.9° |
| C4 | C5 | H6 | 120.2° | 120.0° |
| O19 | N16 | O18 | 119.6° | 120.0° |
| C3 | C4 | BR1 | 119.4° | 120.0° |
| C4 | C3 | H4 | 120.3° | 120.0° |
| H7 | C7 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H2 | 180.0° | 179.9° |
| C28 | C29 | C30 | H1 | 180.0° | 179.6° |
| C29 | C28 | C27 | C26 | 0.2° | 0.0° |
| C28 | C29 | C30 | C25 | 0.4° | 0.1° |
| C29 | C28 | C27 | H3 | 179.8° | 179.9° |
| C28 | C29 | C30 | H5 | 179.6° | 179.7° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C28 | C27 | C26 | H3 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.0° |
| C28 | C27 | C26 | C19 | 179.7° | 180.0° |
| C27 | C28 | C29 | H1 | 179.9° | 179.7° |
| C29 | C30 | C25 | H5 | 180.0° | 179.8° |
| C29 | C30 | C25 | C26 | 0.9° | 0.0° |
| C29 | C30 | C25 | C21 | 179.9° | 180.0° |
| C30 | C29 | C28 | H2 | 179.9° | 180.0° |
| C27 | C26 | C25 | C30 | 0.8° | 0.0° |
| C27 | C26 | C25 | C19 | 180.0° | 180.0° |
| C27 | C26 | C25 | C21 | 179.8° | 180.0° |
| C27 | C26 | C19 | N3 | 105.7° | 80.1° |
| C26 | C27 | C28 | H2 | 179.8° | 179.9° |
| C30 | C25 | C26 | C21 | 179.0° | 180.0° |
| C30 | C25 | C26 | C19 | 179.2° | 180.0° |
| C30 | C25 | C21 | O22 | 142.7° | 179.9° |
| C30 | C25 | C21 | O20 | 36.6° | 0.0° |
| C25 | C30 | C29 | H1 | 179.6° | 179.7° |
| C25 | C26 | C19 | N3 | 74.3° | 99.9° |
| C26 | C25 | C21 | O22 | 38.3° | 0.0° |
| C26 | C25 | C21 | O20 | 142.4° | 180.0° |
| C25 | C26 | C27 | H3 | 179.7° | 180.0° |
| C26 | C25 | C30 | H5 | 179.1° | 179.8° |
| C19 | C26 | C25 | C21 | 0.2° | 0.1° |
| C19 | C26 | C27 | H3 | 0.3° | 0.0° |
| C25 | C21 | O22 | O20 | 179.3° | 179.9° |
| C25 | C21 | O20 | C1 | 179.3° | 180.0° |
| C21 | C25 | C30 | H5 | 0.1° | 0.2° |
| O22 | C21 | O20 | C1 | 0.0° | 0.0° |
| C21 | O20 | C1 | C6 | 114.1° | 90.0° |
| C21 | O20 | C1 | C2 | 67.5° | 90.0° |
| O20 | C1 | C6 | C7 | 1.3° | 0.1° |
| O20 | C1 | C6 | C2 | 178.5° | 179.9° |
| O20 | C1 | C6 | C5 | 179.1° | 180.0° |
| O20 | C1 | C2 | BR2 | 0.7° | 0.2° |
| O20 | C1 | C2 | C3 | 179.2° | 179.9° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.8° | 180.0° |
| C12 | C11 | C10 | C15 | 1.4° | 0.2° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H12 | 179.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C10 | C9 | N8 | 60.7° | 54.9° |
| C11 | C10 | C9 | C15 | 177.3° | 179.8° |
| C11 | C10 | C9 | O17 | 118.6° | 125.1° |
| C11 | C10 | C15 | C14 | 1.5° | 0.5° |
| C11 | C10 | C15 | N16 | 178.5° | 179.7° |
| C10 | C11 | C12 | H11 | 179.3° | 180.0° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.3° |
| C13 | C12 | C11 | H10 | 179.3° | 180.0° |
| C12 | C13 | C14 | H13 | 179.6° | 180.0° |
| N8 | C7 | C6 | H7 | 120.9° | 120.0° |
| N8 | C7 | C6 | H8 | 120.9° | 120.0° |
| C7 | N8 | C9 | H9 | 180.0° | 179.9° |
| C7 | N8 | C9 | C10 | 177.5° | 180.0° |
| C7 | N8 | C9 | O17 | 1.8° | 0.0° |
| N8 | C7 | C6 | C1 | 154.2° | 80.0° |
| N8 | C7 | C6 | C5 | 26.2° | 100.0° |
| N8 | C7 | H7 | H8 | 117.1° | 120.1° |
| C6 | C7 | N8 | C9 | 81.9° | 180.0° |
| C7 | C6 | C1 | C5 | 179.6° | 180.0° |
| C7 | C6 | C1 | C2 | 179.8° | 180.0° |
| C7 | C6 | C5 | C4 | 179.8° | 180.0° |
| C7 | C6 | C5 | H6 | 0.1° | 0.0° |
| C6 | C7 | H7 | H8 | 117.1° | 120.0° |
| C6 | C7 | N8 | H9 | 98.2° | 0.1° |
| N8 | C9 | C10 | O17 | 179.4° | 180.0° |
| N8 | C9 | C10 | C15 | 122.0° | 124.8° |
| C9 | N8 | C7 | H7 | 157.2° | 60.1° |
| C9 | N8 | C7 | H8 | 39.1° | 60.0° |
| C9 | C10 | C15 | C14 | 178.8° | 179.7° |
| C9 | C10 | C15 | N16 | 4.3° | 0.0° |
| C10 | C9 | N8 | H9 | 2.5° | 0.1° |
| C9 | C10 | C11 | H10 | 1.2° | 0.0° |
| O17 | C9 | C10 | C15 | 58.7° | 55.2° |
| O17 | C9 | N8 | H9 | 178.2° | 179.9° |
| C10 | C15 | C14 | C13 | 1.0° | 0.6° |
| C10 | C15 | C14 | N16 | 177.1° | 179.7° |
| C10 | C15 | N16 | O19 | 35.3° | 173.2° |
| C10 | C15 | N16 | O18 | 148.1° | 6.8° |
| C15 | C10 | C11 | H10 | 178.6° | 179.8° |
| C10 | C15 | C14 | H13 | 179.0° | 179.7° |
| C6 | C1 | C2 | BR2 | 179.2° | 179.7° |
| C6 | C1 | C2 | C3 | 0.8° | 0.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C1 | C6 | C5 | H6 | 179.4° | 179.9° |
| C1 | C6 | C7 | H7 | 33.3° | 160.0° |
| C1 | C6 | C7 | H8 | 84.8° | 40.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | BR2 | C3 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C1 | C2 | C3 | H4 | 179.1° | 180.0° |
| C13 | C14 | C15 | H13 | 180.0° | 179.7° |
| C13 | C14 | C15 | N16 | 178.1° | 179.7° |
| C14 | C13 | C12 | H11 | 179.8° | 180.0° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C6 | C5 | C4 | BR1 | 179.8° | 180.0° |
| C5 | C6 | C7 | H7 | 147.1° | 20.0° |
| C5 | C6 | C7 | H8 | 94.8° | 140.0° |
| BR2 | C2 | C3 | C4 | 179.0° | 179.7° |
| BR2 | C2 | C3 | H4 | 1.0° | 0.3° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | BR1 | 180.0° | 180.0° |
| C14 | C15 | N16 | O19 | 141.7° | 6.5° |
| C14 | C15 | N16 | O18 | 34.8° | 173.4° |
| C15 | C14 | C13 | H12 | 179.6° | 179.7° |
| C15 | N16 | O19 | O18 | 176.5° | 180.0° |
| N16 | C15 | C14 | H13 | 1.8° | 0.0° |
| C5 | C4 | C3 | BR1 | 179.0° | 180.0° |
| C5 | C4 | C3 | H4 | 179.1° | 180.0° |
| C3 | C4 | C5 | H6 | 179.2° | 180.0° |
| BR1 | C4 | C3 | H4 | 0.0° | 0.0° |
| BR1 | C4 | C5 | H6 | 0.2° | 0.0° |
| H1 | C29 | C28 | H2 | 0.1° | 0.4° |
| H1 | C29 | C30 | H5 | 0.4° | 0.1° |
| H2 | C28 | C27 | H3 | 0.2° | 0.0° |
| H7 | C7 | N8 | H9 | 22.8° | 120.0° |
| H8 | C7 | N8 | H9 | 140.9° | 119.9° |
| H10 | C11 | C12 | H11 | 0.7° | 0.1° |
| H11 | C12 | C13 | H12 | 0.2° | 0.0° |
| H12 | C13 | C14 | H13 | 0.4° | 0.0° |
