FX7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C9 | doub | 1.22Å | 1.22Å | |
| O19 | N16 | doub | 1.22Å | 1.38Å | |
| O22 | C21 | doub | 1.21Å | 1.22Å | |
| N16 | O18 | sing | 1.22Å | 1.22Å | |
| N16 | C15 | sing | 1.48Å | 1.40Å | |
| C9 | C10 | sing | 1.48Å | 1.51Å | |
| C9 | N8 | sing | 1.35Å | 1.33Å | |
| C15 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| BR2 | C4 | sing | 1.89Å | 1.86Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C25 | sing | 1.51Å | 1.51Å | |
| C21 | O20 | sing | 1.34Å | 1.46Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O20 | sing | 1.36Å | 1.36Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | BR1 | sing | 1.89Å | 1.89Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N8 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C9 | C10 | 118.5° | 120.0° |
| O17 | C9 | N8 | 123.0° | 120.0° |
| O19 | N16 | O18 | 120.1° | 120.0° |
| O19 | N16 | C15 | 118.8° | 120.0° |
| O22 | C21 | C25 | 122.0° | 120.0° |
| O22 | C21 | O20 | 119.7° | 120.0° |
| O18 | N16 | C15 | 120.9° | 120.0° |
| N16 | C15 | C10 | 122.4° | 120.1° |
| N16 | C15 | C14 | 117.3° | 120.0° |
| C10 | C9 | N8 | 118.4° | 120.0° |
| C9 | C10 | C15 | 123.1° | 120.2° |
| C9 | C10 | C11 | 117.6° | 120.1° |
| C9 | N8 | C7 | 128.2° | 120.0° |
| C9 | N8 | H13 | 115.9° | 120.0° |
| C10 | C15 | C14 | 120.3° | 119.9° |
| C15 | C10 | C11 | 119.3° | 119.8° |
| C15 | C14 | C13 | 120.6° | 120.1° |
| C15 | C14 | H17 | 119.7° | 120.0° |
| BR2 | C4 | C5 | 121.5° | 119.9° |
| BR2 | C4 | C3 | 117.2° | 120.0° |
| C10 | C11 | C12 | 120.4° | 119.8° |
| C10 | C11 | H14 | 119.8° | 120.1° |
| C25 | C21 | O20 | 118.3° | 120.0° |
| C21 | C25 | C30 | 112.3° | 109.5° |
| C21 | C25 | H7 | 108.7° | 109.4° |
| C21 | C25 | H8 | 108.8° | 109.4° |
| C21 | O20 | C1 | 122.8° | 117.0° |
| C4 | C5 | C6 | 119.6° | 120.1° |
| C5 | C4 | C3 | 121.3° | 120.1° |
| C4 | C5 | H10 | 120.2° | 120.0° |
| C5 | C6 | C7 | 122.6° | 120.0° |
| C5 | C6 | C1 | 119.0° | 120.0° |
| C6 | C5 | H10 | 120.2° | 119.9° |
| C4 | C3 | C2 | 118.5° | 120.0° |
| C4 | C3 | H9 | 120.8° | 120.0° |
| C14 | C13 | C12 | 119.2° | 120.3° |
| C14 | C13 | H16 | 120.4° | 119.8° |
| C13 | C14 | H17 | 119.7° | 119.9° |
| C6 | C7 | N8 | 115.3° | 109.5° |
| C7 | C6 | C1 | 118.4° | 120.0° |
| C6 | C7 | H11 | 108.0° | 109.4° |
| C6 | C7 | H12 | 108.0° | 109.4° |
| N8 | C7 | H11 | 108.0° | 109.5° |
| N8 | C7 | H12 | 108.0° | 109.5° |
| C7 | N8 | H13 | 115.9° | 119.9° |
| C25 | C30 | C29 | 111.7° | 109.5° |
| C25 | C30 | H5 | 108.9° | 109.4° |
| C25 | C30 | H6 | 108.9° | 109.5° |
| C30 | C25 | H7 | 108.8° | 109.5° |
| C30 | C25 | H8 | 108.8° | 109.5° |
| C6 | C1 | C2 | 120.5° | 119.9° |
| C6 | C1 | O20 | 119.0° | 120.1° |
| C30 | C29 | C28 | 112.8° | 109.5° |
| C30 | C29 | H3 | 108.6° | 109.5° |
| C30 | C29 | H4 | 108.6° | 109.5° |
| C29 | C30 | H5 | 108.9° | 109.5° |
| C29 | C30 | H6 | 108.9° | 109.5° |
| C11 | C12 | C13 | 120.3° | 120.1° |
| C12 | C11 | H14 | 119.8° | 120.1° |
| C11 | C12 | H15 | 119.9° | 119.9° |
| C3 | C2 | C1 | 121.1° | 120.0° |
| C3 | C2 | BR1 | 117.0° | 120.0° |
| C2 | C3 | H9 | 120.7° | 120.0° |
| C2 | C1 | O20 | 120.6° | 120.1° |
| C1 | C2 | BR1 | 121.9° | 120.0° |
| C13 | C12 | H15 | 119.9° | 119.9° |
| C12 | C13 | H16 | 120.4° | 119.8° |
| C29 | C28 | C8 | 111.9° | 109.5° |
| C29 | C28 | H1 | 108.8° | 109.5° |
| C29 | C28 | H2 | 108.8° | 109.5° |
| C28 | C29 | H3 | 108.6° | 109.4° |
| C28 | C29 | H4 | 108.6° | 109.5° |
| C28 | C8 | C16 | 111.5° | 109.5° |
| C8 | C28 | H1 | 108.9° | 109.5° |
| C8 | C28 | H2 | 108.9° | 109.4° |
| C28 | C8 | H18 | 108.9° | 109.5° |
| C28 | C8 | H19 | 109.0° | 109.5° |
| C8 | C16 | C17 | 110.8° | 109.5° |
| C16 | C8 | H18 | 109.0° | 109.5° |
| C16 | C8 | H19 | 108.9° | 109.4° |
| C8 | C16 | H20 | 109.1° | 109.5° |
| C8 | C16 | H21 | 109.1° | 109.5° |
| C17 | C16 | H20 | 109.1° | 109.5° |
| C17 | C16 | H21 | 109.1° | 109.4° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C16 | C17 | H23 | 109.5° | 109.4° |
| C16 | C17 | H24 | 109.5° | 109.5° |
| H1 | C28 | H2 | 109.4° | 109.5° |
| H3 | C29 | H4 | 109.5° | 109.5° |
| H5 | C30 | H6 | 109.5° | 109.5° |
| H7 | C25 | H8 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H22 | C17 | H24 | 109.4° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C9 | C10 | N8 | 178.3° | 180.0° |
| O17 | C9 | C10 | C15 | 61.3° | 55.5° |
| O17 | C9 | C10 | C11 | 117.0° | 124.8° |
| O17 | C9 | N8 | C7 | 0.3° | 0.0° |
| O17 | C9 | N8 | H13 | 179.7° | 180.0° |
| O19 | N16 | O18 | C15 | 175.7° | 180.0° |
| O19 | N16 | C15 | C10 | 147.9° | 6.6° |
| O19 | N16 | C15 | C14 | 33.3° | 173.5° |
| O22 | C21 | C25 | O20 | 179.9° | 180.0° |
| O22 | C21 | C25 | C30 | 59.7° | 0.0° |
| O22 | C21 | O20 | C1 | 5.5° | 0.0° |
| O22 | C21 | C25 | H7 | 179.9° | 120.0° |
| O22 | C21 | C25 | H8 | 60.7° | 120.0° |
| O18 | N16 | C15 | C10 | 36.4° | 173.5° |
| O18 | N16 | C15 | C14 | 142.4° | 6.5° |
| N16 | C15 | C10 | C9 | 2.4° | 0.1° |
| N16 | C15 | C10 | C14 | 178.8° | 179.9° |
| N16 | C15 | C10 | C11 | 179.3° | 179.8° |
| N16 | C15 | C14 | C13 | 178.8° | 180.0° |
| N16 | C15 | C14 | H17 | 1.2° | 0.0° |
| C9 | C10 | C15 | C11 | 178.3° | 179.7° |
| C9 | C10 | C15 | C14 | 178.8° | 180.0° |
| C10 | C9 | N8 | C7 | 178.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.2° | 180.0° |
| C10 | C9 | N8 | H13 | 2.1° | 0.0° |
| C9 | C10 | C11 | H14 | 0.8° | 0.0° |
| N8 | C9 | C10 | C15 | 120.4° | 124.5° |
| N8 | C9 | C10 | C11 | 61.3° | 55.2° |
| C9 | N8 | C7 | C6 | 84.6° | 180.0° |
| C9 | N8 | C7 | H13 | 180.0° | 180.0° |
| C9 | N8 | C7 | H11 | 36.2° | 60.0° |
| C9 | N8 | C7 | H12 | 154.5° | 60.0° |
| C10 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C10 | C11 | C12 | 0.8° | 0.3° |
| C15 | C10 | C11 | H14 | 179.2° | 179.7° |
| C10 | C15 | C14 | H17 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 0.6° | 0.3° |
| C15 | C14 | C13 | H17 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.3° |
| C15 | C14 | C13 | H16 | 179.6° | 179.9° |
| BR2 | C4 | C5 | C3 | 179.8° | 179.9° |
| BR2 | C4 | C5 | C6 | 179.9° | 179.7° |
| BR2 | C4 | C3 | C2 | 180.0° | 180.0° |
| BR2 | C4 | C3 | H9 | 0.0° | 0.0° |
| BR2 | C4 | C5 | H10 | 0.1° | 0.0° |
| C10 | C11 | C12 | H14 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C10 | C11 | C12 | H15 | 179.5° | 180.0° |
| C21 | C25 | C30 | H7 | 120.4° | 120.0° |
| C21 | C25 | C30 | H8 | 120.4° | 120.0° |
| C21 | C25 | C30 | C29 | 124.6° | 180.0° |
| C25 | C21 | O20 | C1 | 174.5° | 180.0° |
| C21 | C25 | C30 | H5 | 115.1° | 60.0° |
| C21 | C25 | C30 | H6 | 4.2° | 60.0° |
| C21 | C25 | H7 | H8 | 118.7° | 119.9° |
| O20 | C21 | C25 | C30 | 120.4° | 180.0° |
| C21 | O20 | C1 | C6 | 104.6° | 90.3° |
| C21 | O20 | C1 | C2 | 76.3° | 90.0° |
| O20 | C21 | C25 | H7 | 0.0° | 60.0° |
| O20 | C21 | C25 | H8 | 119.2° | 60.0° |
| C4 | C5 | C6 | H10 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.5° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | H9 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C5 | C6 | C7 | C1 | 179.2° | 179.5° |
| C5 | C6 | C7 | N8 | 22.2° | 100.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.5° |
| C5 | C6 | C1 | O20 | 179.8° | 179.8° |
| C5 | C6 | C7 | H11 | 98.7° | 20.0° |
| C5 | C6 | C7 | H12 | 143.0° | 140.0° |
| C4 | C3 | C2 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | BR1 | 179.8° | 179.9° |
| C3 | C4 | C5 | H10 | 179.7° | 179.9° |
| C14 | C13 | C12 | C11 | 0.1° | 0.3° |
| C14 | C13 | C12 | H16 | 180.0° | 179.7° |
| C14 | C13 | C12 | H15 | 179.8° | 179.7° |
| C6 | C7 | N8 | H11 | 120.9° | 120.0° |
| C6 | C7 | N8 | H12 | 120.8° | 120.0° |
| C7 | C6 | C1 | C2 | 179.8° | 180.0° |
| C7 | C6 | C1 | O20 | 1.1° | 0.3° |
| C7 | C6 | C5 | H10 | 0.3° | 0.3° |
| C6 | C7 | H11 | H12 | 117.3° | 120.0° |
| C6 | C7 | N8 | H13 | 95.3° | 0.0° |
| N8 | C7 | C6 | C1 | 158.7° | 79.5° |
| N8 | C7 | H11 | H12 | 117.3° | 120.0° |
| C25 | C30 | C29 | H5 | 120.3° | 120.0° |
| C25 | C30 | C29 | H6 | 120.3° | 120.0° |
| C25 | C30 | C29 | C28 | 78.7° | NaN° |
| C25 | C30 | C29 | H3 | 160.8° | 60.0° |
| C25 | C30 | C29 | H4 | 41.8° | 60.0° |
| C25 | C30 | H5 | H6 | 119.0° | 120.0° |
| C30 | C25 | H7 | H8 | 118.7° | 120.1° |
| C6 | C1 | C2 | C3 | 0.5° | 0.3° |
| C6 | C1 | C2 | O20 | 179.1° | 179.7° |
| C6 | C1 | C2 | BR1 | 179.5° | 179.7° |
| C1 | C6 | C5 | H10 | 179.5° | 179.7° |
| C1 | C6 | C7 | H11 | 80.5° | 160.5° |
| C1 | C6 | C7 | H12 | 37.8° | 40.5° |
| C30 | C29 | C28 | H3 | 120.5° | 120.0° |
| C30 | C29 | C28 | H4 | 120.5° | 120.0° |
| C30 | C29 | C28 | C8 | 113.6° | 180.0° |
| C30 | C29 | C28 | H1 | 6.8° | 60.0° |
| C30 | C29 | C28 | H2 | 126.0° | 60.0° |
| C30 | C29 | H3 | H4 | 118.5° | 120.1° |
| C29 | C30 | H5 | H6 | 119.0° | 120.1° |
| C29 | C30 | C25 | H7 | 4.2° | 60.0° |
| C29 | C30 | C25 | H8 | 115.0° | 60.0° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | H16 | 179.8° | 180.0° |
| C3 | C2 | C1 | BR1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O20 | 179.6° | 180.0° |
| C1 | C2 | C3 | H9 | 179.7° | 180.0° |
| O20 | C1 | C2 | BR1 | 0.4° | 0.0° |
| C13 | C12 | C11 | H14 | 179.5° | 180.0° |
| C12 | C13 | C14 | H17 | 179.6° | 179.7° |
| BR1 | C2 | C3 | H9 | 0.2° | 0.0° |
| C29 | C28 | C8 | H1 | 120.4° | 120.0° |
| C29 | C28 | C8 | H2 | 120.4° | 120.0° |
| C29 | C28 | C8 | C16 | 139.5° | 180.0° |
| C29 | C28 | H1 | H2 | 118.8° | 120.0° |
| C28 | C29 | H3 | H4 | 118.4° | 120.0° |
| C28 | C29 | C30 | H5 | 41.6° | 60.0° |
| C28 | C29 | C30 | H6 | 161.0° | 60.0° |
| C29 | C28 | C8 | H18 | 19.2° | 60.0° |
| C29 | C28 | C8 | H19 | 100.2° | 60.0° |
| C28 | C8 | C16 | H18 | 120.3° | 120.0° |
| C28 | C8 | C16 | H19 | 120.3° | 120.0° |
| C28 | C8 | C16 | C17 | 98.3° | 180.0° |
| C8 | C28 | H1 | H2 | 118.9° | 120.0° |
| C8 | C28 | C29 | H3 | 125.9° | 60.0° |
| C8 | C28 | C29 | H4 | 6.9° | 60.0° |
| C28 | C8 | H18 | H19 | 119.1° | 120.0° |
| C28 | C8 | C16 | H20 | 141.5° | 60.0° |
| C28 | C8 | C16 | H21 | 21.9° | 60.0° |
| C8 | C16 | C17 | H20 | 120.2° | 120.0° |
| C8 | C16 | C17 | H21 | 120.2° | 120.0° |
| C16 | C8 | C28 | H1 | 100.1° | 60.0° |
| C16 | C8 | C28 | H2 | 19.2° | 60.0° |
| C16 | C8 | H18 | H19 | 119.1° | 120.0° |
| C8 | C16 | H20 | H21 | 119.4° | 120.0° |
| C8 | C16 | C17 | H22 | 180.0° | 60.0° |
| C8 | C16 | C17 | H23 | 60.0° | 60.0° |
| C8 | C16 | C17 | H24 | 60.0° | 180.0° |
| C17 | C16 | C8 | H18 | 22.0° | 60.0° |
| C17 | C16 | C8 | H19 | 141.4° | 60.0° |
| C17 | C16 | H20 | H21 | 119.4° | 120.0° |
| C16 | C17 | H22 | H23 | 120.0° | 120.0° |
| C16 | C17 | H22 | H24 | 120.0° | 120.0° |
| C16 | C17 | H23 | H24 | 120.0° | 120.0° |
| H1 | C28 | C29 | H3 | 113.7° | 60.0° |
| H1 | C28 | C29 | H4 | 127.3° | 180.0° |
| H1 | C28 | C8 | H18 | 139.6° | 179.9° |
| H1 | C28 | C8 | H19 | 20.2° | 60.0° |
| H2 | C28 | C29 | H3 | 5.5° | 180.0° |
| H2 | C28 | C29 | H4 | 113.4° | 60.0° |
| H2 | C28 | C8 | H18 | 101.1° | 60.0° |
| H2 | C28 | C8 | H19 | 139.5° | 180.0° |
| H3 | C29 | C30 | H5 | 78.9° | 180.0° |
| H3 | C29 | C30 | H6 | 40.5° | 60.0° |
| H4 | C29 | C30 | H5 | 162.1° | 59.9° |
| H4 | C29 | C30 | H6 | 78.5° | 180.0° |
| H5 | C30 | C25 | H7 | 124.5° | 180.0° |
| H5 | C30 | C25 | H8 | 5.3° | 60.0° |
| H6 | C30 | C25 | H7 | 116.2° | 60.0° |
| H6 | C30 | C25 | H8 | 124.7° | 179.9° |
| H11 | C7 | N8 | H13 | 143.8° | 120.0° |
| H12 | C7 | N8 | H13 | 25.5° | 119.9° |
| H14 | C11 | C12 | H15 | 0.5° | 0.0° |
| H15 | C12 | C13 | H16 | 0.2° | 0.0° |
| H16 | C13 | C14 | H17 | 0.4° | 0.1° |
| H18 | C8 | C16 | H20 | 98.2° | 180.0° |
| H18 | C8 | C16 | H21 | 142.2° | 60.0° |
| H19 | C8 | C16 | H20 | 21.2° | 60.0° |
| H19 | C8 | C16 | H21 | 98.5° | 180.0° |
| H20 | C16 | C17 | H22 | 59.8° | 180.0° |
| H20 | C16 | C17 | H23 | 179.8° | 60.0° |
| H20 | C16 | C17 | H24 | 60.2° | 60.0° |
| H21 | C16 | C17 | H22 | 59.8° | 60.0° |
| H21 | C16 | C17 | H23 | 60.2° | 180.0° |
| H21 | C16 | C17 | H24 | 179.8° | 60.0° |
| H22 | C17 | H23 | H24 | 120.0° | 120.0° |
