FBC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FL1 | C1 | sing | 1.35Å | 1.35Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | FL2 | sing | 1.35Å | 1.36Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C12 | sing | 1.48Å | 1.41Å | Aromatic |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C9 | C | sing | 1.48Å | 1.51Å | |
| C | OC3 | doub | 1.21Å | 1.24Å | |
| C | OC1 | sing | 1.35Å | 1.26Å | |
| OC1 | HC1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FL1 | C1 | C6 | 119.7° | 119.9° |
| FL1 | C1 | C2 | 120.0° | 120.0° |
| C6 | C1 | C2 | 120.3° | 120.1° |
| C1 | C6 | C5 | 120.1° | 120.2° |
| C1 | C6 | H6 | 120.7° | 119.9° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| C1 | C2 | H2 | 119.9° | 120.1° |
| C5 | C6 | H6 | 119.2° | 119.9° |
| C6 | C5 | FL2 | 119.7° | 119.9° |
| C6 | C5 | C4 | 119.1° | 120.1° |
| FL2 | C5 | C4 | 121.2° | 119.9° |
| C5 | C4 | C3 | 122.4° | 119.9° |
| C5 | C4 | H4 | 118.6° | 120.1° |
| C3 | C4 | H4 | 119.0° | 120.0° |
| C4 | C3 | C2 | 117.4° | 119.8° |
| C4 | C3 | C12 | 120.6° | 120.1° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| C2 | C3 | C12 | 122.0° | 120.1° |
| C3 | C12 | C7 | 119.1° | 119.9° |
| C3 | C12 | C11 | 123.6° | 120.0° |
| C7 | C12 | C11 | 117.3° | 120.1° |
| C12 | C7 | C8 | 121.6° | 120.0° |
| C12 | C7 | H7 | 119.4° | 120.0° |
| C12 | C11 | C10 | 121.3° | 120.0° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C8 | C7 | H7 | 119.0° | 120.0° |
| C7 | C8 | C9 | 120.9° | 120.0° |
| C7 | C8 | H8 | 119.6° | 120.0° |
| C9 | C8 | H8 | 119.5° | 120.1° |
| C8 | C9 | C10 | 119.3° | 120.0° |
| C8 | C9 | C | 118.6° | 120.0° |
| C10 | C11 | H11 | 119.0° | 120.0° |
| C11 | C10 | C9 | 119.6° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.0° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C10 | C9 | C | 122.1° | 120.0° |
| C9 | C | OC3 | 117.8° | 120.0° |
| C9 | C | OC1 | 122.7° | 120.0° |
| OC3 | C | OC1 | 119.5° | 120.0° |
| C | OC1 | HC1 | 122.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FL1 | C1 | C6 | C2 | 179.4° | 179.9° |
| FL1 | C1 | C6 | C5 | 179.4° | 180.0° |
| FL1 | C1 | C6 | H6 | 0.6° | 0.1° |
| FL1 | C1 | C2 | C3 | 180.0° | 180.0° |
| FL1 | C1 | C2 | H2 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | FL2 | 179.3° | 180.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.3° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.0° |
| C2 | C1 | C6 | H6 | 178.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C12 | 179.8° | 180.0° |
| C6 | C5 | FL2 | C4 | 179.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.5° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| H6 | C6 | C5 | FL2 | 0.7° | 0.0° |
| H6 | C6 | C5 | C4 | 179.1° | 179.8° |
| FL2 | C5 | C4 | C3 | 179.9° | 179.7° |
| FL2 | C5 | C4 | H4 | 0.1° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.5° |
| C5 | C4 | C3 | C2 | 0.4° | 0.5° |
| C5 | C4 | C3 | C12 | 180.0° | 179.7° |
| C4 | C3 | C2 | C12 | 179.6° | 179.7° |
| C4 | C3 | C2 | H2 | 179.9° | 179.8° |
| C4 | C3 | C12 | C7 | 32.8° | 40.0° |
| C4 | C3 | C12 | C11 | 146.7° | 140.0° |
| H4 | C4 | C3 | C2 | 179.6° | 180.0° |
| H4 | C4 | C3 | C12 | 0.0° | 0.3° |
| C2 | C3 | C12 | C7 | 146.8° | 140.3° |
| C2 | C3 | C12 | C11 | 33.6° | 39.7° |
| H2 | C2 | C3 | C12 | 0.3° | 0.1° |
| C3 | C12 | C7 | C11 | 179.6° | 180.0° |
| C3 | C12 | C7 | C8 | 179.7° | 180.0° |
| C3 | C12 | C7 | H7 | 0.3° | 0.0° |
| C3 | C12 | C11 | C10 | 179.1° | 179.8° |
| C3 | C12 | C11 | H11 | 0.9° | 0.0° |
| C12 | C7 | C8 | H7 | 180.0° | 180.0° |
| C12 | C7 | C8 | C9 | 1.1° | 0.0° |
| C12 | C7 | C8 | H8 | 178.8° | 180.0° |
| C7 | C12 | C11 | C10 | 0.5° | 0.2° |
| C7 | C12 | C11 | H11 | 179.5° | 180.0° |
| C11 | C12 | C7 | C8 | 0.8° | 0.0° |
| C11 | C12 | C7 | H7 | 179.3° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 1.3° | 0.5° |
| C12 | C11 | C10 | H10 | 178.7° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.3° |
| C7 | C8 | C9 | C | 179.3° | 180.0° |
| H7 | C7 | C8 | C9 | 178.9° | 180.0° |
| H7 | C7 | C8 | H8 | 1.1° | 0.0° |
| C8 | C9 | C10 | C11 | 0.9° | 0.5° |
| C8 | C9 | C10 | C | 179.0° | 179.7° |
| C8 | C9 | C10 | H10 | 179.1° | 180.0° |
| C8 | C9 | C | OC3 | 65.1° | 0.0° |
| C8 | C9 | C | OC1 | 116.5° | 180.0° |
| H8 | C8 | C9 | C10 | 179.7° | 179.8° |
| H8 | C8 | C9 | C | 0.7° | 0.1° |
| C11 | C10 | C9 | H10 | 180.0° | 179.5° |
| C11 | C10 | C9 | C | 178.0° | 179.8° |
| H11 | C11 | C10 | C9 | 178.7° | 179.7° |
| H11 | C11 | C10 | H10 | 1.3° | 0.2° |
| C10 | C9 | C | OC3 | 115.9° | 179.8° |
| C10 | C9 | C | OC1 | 62.5° | 0.3° |
| H10 | C10 | C9 | C | 2.0° | 0.3° |
| C9 | C | OC3 | OC1 | 178.4° | 180.0° |
| C9 | C | OC1 | HC1 | 180.0° | 180.0° |
| OC3 | C | OC1 | HC1 | 1.7° | 0.0° |
