F95
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C7 | doub | 1.22Å | 1.22Å | |
| C7 | C8 | sing | 1.41Å | 1.52Å | |
| C7 | O3 | sing | 1.34Å | 1.38Å | |
| C8 | C9 | doub | 1.36Å | 1.36Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C1 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| O3 | C2 | sing | 1.35Å | 1.37Å | |
| C1 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.37Å | 1.40Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.35Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.34Å | |
| O6 | C11 | doub | 1.21Å | 1.25Å | |
| C11 | O5 | sing | 1.34Å | 1.25Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C7 | C8 | 122.1° | 119.2° |
| O4 | C7 | O3 | 124.0° | 119.2° |
| C8 | C7 | O3 | 113.9° | 121.7° |
| C7 | C8 | C9 | 121.3° | 119.9° |
| C7 | C8 | H5 | 119.4° | 120.1° |
| C7 | O3 | C2 | 126.1° | 121.5° |
| C8 | C9 | C10 | 122.0° | 120.9° |
| C8 | C9 | C1 | 120.1° | 118.2° |
| C9 | C8 | H5 | 119.4° | 120.1° |
| C10 | C9 | C1 | 117.9° | 120.9° |
| C9 | C10 | C11 | 115.0° | 109.4° |
| C9 | C10 | H6 | 108.1° | 109.5° |
| C9 | C10 | H7 | 108.0° | 109.5° |
| C9 | C1 | C2 | 119.1° | 119.0° |
| C9 | C1 | C6 | 120.4° | 121.0° |
| C10 | C11 | O6 | 116.8° | 120.0° |
| C10 | C11 | O5 | 117.4° | 120.0° |
| C11 | C10 | H6 | 108.1° | 109.5° |
| C11 | C10 | H7 | 108.1° | 109.5° |
| O3 | C2 | C1 | 119.6° | 119.8° |
| O3 | C2 | C3 | 120.6° | 120.8° |
| C2 | C1 | C6 | 120.6° | 120.0° |
| C1 | C2 | C3 | 119.8° | 119.4° |
| C1 | C6 | C5 | 119.5° | 119.8° |
| C1 | C6 | H2 | 120.3° | 120.1° |
| C2 | C3 | O1 | 121.5° | 120.1° |
| C2 | C3 | C4 | 119.4° | 119.7° |
| C6 | C5 | C4 | 119.1° | 120.5° |
| C6 | C5 | H1 | 120.5° | 119.8° |
| C5 | C6 | H2 | 120.3° | 120.1° |
| O1 | C3 | C4 | 119.0° | 120.1° |
| C3 | O1 | H3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 121.7° | 120.5° |
| C3 | C4 | O2 | 119.4° | 119.7° |
| C5 | C4 | O2 | 118.9° | 119.8° |
| C4 | C5 | H1 | 120.4° | 119.7° |
| C4 | O2 | H4 | 109.5° | 114.0° |
| O6 | C11 | O5 | 125.9° | 120.0° |
| C11 | O5 | H8 | 109.5° | 117.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C7 | C8 | O3 | 179.9° | 179.8° |
| O4 | C7 | C8 | C9 | 179.6° | 180.0° |
| O4 | C7 | O3 | C2 | 179.8° | 179.7° |
| O4 | C7 | C8 | H5 | 0.4° | 0.2° |
| C7 | C8 | C9 | H5 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C7 | C8 | C9 | C1 | 0.2° | 0.4° |
| C8 | C7 | O3 | C2 | 0.2° | 0.1° |
| O3 | C7 | C8 | C9 | 0.5° | 0.2° |
| C7 | O3 | C2 | C1 | 0.3° | 0.0° |
| C7 | O3 | C2 | C3 | 179.5° | 179.9° |
| O3 | C7 | C8 | H5 | 179.5° | 180.0° |
| C8 | C9 | C10 | C1 | 179.9° | 179.6° |
| C8 | C9 | C10 | C11 | 120.6° | 95.0° |
| C8 | C9 | C1 | C2 | 0.4° | 0.4° |
| C8 | C9 | C1 | C6 | 179.9° | 179.8° |
| C8 | C9 | C10 | H6 | 118.5° | 145.0° |
| C8 | C9 | C10 | H7 | 0.2° | 25.0° |
| C9 | C10 | C11 | H6 | 120.8° | 120.0° |
| C9 | C10 | C11 | H7 | 120.8° | 120.0° |
| C10 | C9 | C1 | C2 | 179.6° | 180.0° |
| C10 | C9 | C1 | C6 | 0.0° | 0.3° |
| C9 | C10 | C11 | O6 | 131.7° | 0.1° |
| C9 | C10 | C11 | O5 | 47.8° | 180.0° |
| C10 | C9 | C8 | H5 | 0.1° | 0.2° |
| C9 | C10 | H6 | H7 | 117.4° | 120.0° |
| C1 | C9 | C10 | C11 | 59.3° | 85.4° |
| C9 | C1 | C2 | O3 | 0.6° | 0.2° |
| C9 | C1 | C2 | C6 | 179.6° | 179.8° |
| C9 | C1 | C2 | C3 | 179.8° | 179.7° |
| C9 | C1 | C6 | C5 | 179.7° | 179.8° |
| C9 | C1 | C6 | H2 | 0.3° | 0.3° |
| C1 | C9 | C8 | H5 | 179.8° | 179.8° |
| C1 | C9 | C10 | H6 | 61.6° | 34.5° |
| C1 | C9 | C10 | H7 | 179.9° | 154.5° |
| C10 | C11 | O6 | O5 | 179.4° | 179.9° |
| C11 | C10 | H6 | H7 | 117.5° | 120.1° |
| C10 | C11 | O5 | H8 | 179.4° | 179.9° |
| O3 | C2 | C1 | C3 | 179.1° | 179.9° |
| O3 | C2 | C1 | C6 | 179.8° | 180.0° |
| O3 | C2 | C3 | O1 | 1.4° | 0.1° |
| O3 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | O1 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C2 | C1 | C6 | H2 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.0° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H1 | 179.9° | 180.0° |
| C2 | C3 | O1 | C4 | 178.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| C2 | C3 | C4 | O2 | 179.9° | 180.0° |
| C2 | C3 | O1 | H3 | 180.0° | 89.9° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | O2 | 179.3° | 180.0° |
| O1 | C3 | C4 | C5 | 179.3° | 180.0° |
| O1 | C3 | C4 | O2 | 1.5° | 0.0° |
| C3 | C4 | C5 | O2 | 179.2° | 180.0° |
| C3 | C4 | C5 | H1 | 179.9° | 179.9° |
| C4 | C3 | O1 | H3 | 1.4° | 90.0° |
| C3 | C4 | O2 | H4 | 180.0° | 90.0° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| C5 | C4 | O2 | H4 | 0.8° | 90.0° |
| O2 | C4 | C5 | H1 | 0.6° | 0.0° |
| O6 | C11 | C10 | H6 | 10.8° | 120.0° |
| O6 | C11 | C10 | H7 | 107.5° | 120.0° |
| O6 | C11 | O5 | H8 | 0.0° | 0.0° |
| O5 | C11 | C10 | H6 | 168.6° | 60.0° |
| O5 | C11 | C10 | H7 | 73.0° | 60.0° |
| H1 | C5 | C6 | H2 | 0.1° | 0.1° |
