FYR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C02 | sing | 1.48Å | 1.39Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | C06 | doub | 1.36Å | 1.38Å | Aromatic |
| C04 | O08 | sing | 1.36Å | 1.35Å | |
| C04 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.36Å | Aromatic |
| C05 | C07 | sing | 1.47Å | 1.36Å | |
| C07 | O10 | doub | 1.22Å | 1.23Å | |
| C07 | O09 | sing | 1.35Å | 1.25Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| O08 | H4 | sing | 0.97Å | 0.95Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 118.5° | 120.3° |
| C14 | C13 | C12 | 122.6° | 120.2° |
| C14 | C13 | H7 | 118.7° | 119.9° |
| C13 | C14 | H8 | 120.7° | 119.9° |
| C14 | C15 | C16 | 119.3° | 120.1° |
| C15 | C14 | H8 | 120.7° | 119.8° |
| C14 | C15 | H9 | 120.3° | 120.0° |
| C13 | C12 | C11 | 118.4° | 119.8° |
| C13 | C12 | H6 | 120.8° | 120.1° |
| C12 | C13 | H7 | 118.7° | 119.9° |
| C15 | C16 | C11 | 121.5° | 119.9° |
| C16 | C15 | H9 | 120.3° | 119.9° |
| C15 | C16 | H10 | 119.3° | 120.1° |
| C12 | C11 | C16 | 119.5° | 119.7° |
| C12 | C11 | C02 | 120.6° | 120.1° |
| C11 | C12 | H6 | 120.8° | 120.1° |
| C16 | C11 | C02 | 119.8° | 120.2° |
| C11 | C16 | H10 | 119.2° | 120.0° |
| C11 | C02 | C03 | 120.9° | 119.9° |
| C11 | C02 | C01 | 118.2° | 119.9° |
| C03 | C02 | C01 | 120.9° | 120.1° |
| C02 | C03 | C04 | 118.1° | 119.9° |
| C02 | C03 | H2 | 121.0° | 120.1° |
| C02 | C01 | C06 | 120.6° | 120.3° |
| C02 | C01 | H1 | 119.7° | 119.8° |
| C03 | C04 | O08 | 121.9° | 120.1° |
| C03 | C04 | C05 | 120.9° | 119.7° |
| C04 | C03 | H2 | 121.0° | 120.1° |
| C01 | C06 | C05 | 119.0° | 120.2° |
| C06 | C01 | H1 | 119.7° | 119.9° |
| C01 | C06 | H3 | 120.5° | 119.9° |
| O08 | C04 | C05 | 117.2° | 120.2° |
| C04 | O08 | H4 | 109.5° | 114.1° |
| C04 | C05 | C06 | 120.4° | 119.8° |
| C04 | C05 | C07 | 120.0° | 120.1° |
| C06 | C05 | C07 | 119.4° | 120.1° |
| C05 | C06 | H3 | 120.5° | 119.9° |
| C05 | C07 | O10 | 117.9° | 120.0° |
| C05 | C07 | O09 | 121.0° | 120.0° |
| O10 | C07 | O09 | 120.8° | 120.0° |
| C07 | O09 | H5 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C14 | C13 | C12 | H6 | 179.6° | 180.0° |
| C13 | C14 | C15 | H9 | 179.4° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 1.3° | 0.5° |
| C15 | C14 | C13 | H7 | 179.9° | 180.0° |
| C14 | C15 | C16 | H10 | 178.7° | 180.0° |
| C13 | C12 | C11 | H6 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.1° | 0.3° |
| C13 | C12 | C11 | C02 | 179.1° | 180.0° |
| C12 | C13 | C14 | H8 | 179.9° | 180.0° |
| C15 | C16 | C11 | C12 | 1.6° | 0.5° |
| C15 | C16 | C11 | H10 | 180.0° | 179.5° |
| C15 | C16 | C11 | C02 | 179.6° | 179.8° |
| C16 | C15 | C14 | H8 | 179.4° | 179.8° |
| C12 | C11 | C16 | C02 | 178.0° | 179.7° |
| C12 | C11 | C02 | C03 | 142.0° | 180.0° |
| C12 | C11 | C02 | C01 | 37.6° | 0.1° |
| C11 | C12 | C13 | H7 | 179.6° | 180.0° |
| C12 | C11 | C16 | H10 | 178.4° | 180.0° |
| C16 | C11 | C02 | C03 | 40.0° | 0.3° |
| C16 | C11 | C02 | C01 | 140.5° | 179.8° |
| C16 | C11 | C12 | H6 | 178.9° | 179.8° |
| C11 | C16 | C15 | H9 | 178.7° | 179.7° |
| C11 | C02 | C03 | C01 | 179.5° | 179.9° |
| C11 | C02 | C03 | C04 | 179.5° | 180.0° |
| C11 | C02 | C01 | C06 | 178.7° | 180.0° |
| C11 | C02 | C01 | H1 | 1.3° | 0.3° |
| C11 | C02 | C03 | H2 | 0.5° | 0.0° |
| C02 | C11 | C12 | H6 | 0.9° | 0.1° |
| C02 | C11 | C16 | H10 | 0.4° | 0.2° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 1.8° | 0.0° |
| C02 | C03 | C04 | O08 | 179.9° | 180.0° |
| C02 | C03 | C04 | C05 | 1.5° | 0.0° |
| C03 | C02 | C01 | H1 | 178.2° | 179.7° |
| C01 | C02 | C03 | C04 | 1.0° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 3.0° | 0.0° |
| C01 | C02 | C03 | H2 | 179.0° | 179.9° |
| C02 | C01 | C06 | H3 | 177.0° | 179.7° |
| C03 | C04 | O08 | C05 | 178.7° | 180.0° |
| C03 | C04 | C05 | C06 | 2.7° | 0.0° |
| C03 | C04 | C05 | C07 | 178.4° | 180.0° |
| C03 | C04 | O08 | H4 | 179.5° | 90.0° |
| C01 | C06 | C05 | C04 | 3.4° | 0.0° |
| C01 | C06 | C05 | H3 | 180.0° | 179.7° |
| C01 | C06 | C05 | C07 | 179.1° | 180.0° |
| O08 | C04 | C05 | C06 | 178.6° | 180.0° |
| O08 | C04 | C05 | C07 | 3.0° | 0.0° |
| O08 | C04 | C03 | H2 | 0.0° | 0.0° |
| C04 | C05 | C06 | C07 | 175.7° | 180.0° |
| C04 | C05 | C07 | O10 | 2.3° | 0.0° |
| C04 | C05 | C07 | O09 | 170.9° | 180.0° |
| C05 | C04 | C03 | H2 | 178.6° | 180.0° |
| C04 | C05 | C06 | H3 | 176.6° | 179.8° |
| C05 | C04 | O08 | H4 | 1.8° | 89.9° |
| C06 | C05 | C07 | O10 | 178.0° | 180.0° |
| C06 | C05 | C07 | O09 | 4.8° | 0.0° |
| C05 | C06 | C01 | H1 | 177.0° | 179.7° |
| C05 | C07 | O10 | O09 | 173.2° | 180.0° |
| C07 | C05 | C06 | H3 | 0.9° | 0.2° |
| C05 | C07 | O09 | H5 | 173.0° | 180.0° |
| O10 | C07 | O09 | H5 | 0.0° | 0.0° |
| H1 | C01 | C06 | H3 | 3.0° | 0.0° |
| H6 | C12 | C13 | H7 | 0.4° | 0.0° |
| H7 | C13 | C14 | H8 | 0.1° | 0.0° |
| H8 | C14 | C15 | H9 | 0.6° | 0.0° |
| H9 | C15 | C16 | H10 | 1.3° | 0.1° |
