LRW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F13 | C12 | sing | 1.40Å | 1.36Å | |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | sing | 1.51Å | 1.52Å | |
| C12 | F14 | sing | 1.40Å | 1.37Å | |
| C12 | F15 | sing | 1.40Å | 1.37Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.47Å | 1.52Å | |
| C05 | C04 | doub | 1.35Å | 1.32Å | |
| C04 | C02 | sing | 1.46Å | 1.52Å | |
| O01 | C02 | doub | 1.22Å | 1.26Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| O03 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F13 | C12 | C10 | 108.1° | 109.5° |
| F13 | C12 | F14 | 108.9° | 109.5° |
| F13 | C12 | F15 | 110.4° | 109.5° |
| C08 | C09 | C10 | 119.9° | 120.3° |
| C09 | C08 | C07 | 118.2° | 120.2° |
| C09 | C08 | H4 | 120.9° | 119.9° |
| C08 | C09 | H5 | 120.0° | 119.8° |
| C09 | C10 | C12 | 118.8° | 119.9° |
| C09 | C10 | C11 | 121.5° | 120.2° |
| C10 | C09 | H5 | 120.0° | 119.8° |
| C08 | C07 | C06 | 122.1° | 119.8° |
| C08 | C07 | H3 | 119.0° | 120.1° |
| C07 | C08 | H4 | 120.9° | 119.9° |
| C10 | C12 | F14 | 108.8° | 109.5° |
| C10 | C12 | F15 | 109.9° | 109.5° |
| C12 | C10 | C11 | 119.6° | 119.9° |
| F14 | C12 | F15 | 110.8° | 109.5° |
| C10 | C11 | C06 | 118.7° | 119.8° |
| C10 | C11 | H6 | 120.6° | 120.1° |
| C07 | C06 | C11 | 119.5° | 119.7° |
| C07 | C06 | C05 | 119.6° | 120.2° |
| C06 | C07 | H3 | 118.9° | 120.1° |
| C11 | C06 | C05 | 120.9° | 120.2° |
| C06 | C11 | H6 | 120.7° | 120.1° |
| C06 | C05 | C04 | 116.2° | 120.0° |
| C06 | C05 | H2 | 121.9° | 120.0° |
| C05 | C04 | C02 | 122.2° | 120.0° |
| C05 | C04 | H1 | 118.9° | 120.0° |
| C04 | C05 | H2 | 121.9° | 120.0° |
| C04 | C02 | O01 | 119.1° | 120.0° |
| C04 | C02 | O03 | 120.5° | 120.0° |
| C02 | C04 | H1 | 118.9° | 120.0° |
| O01 | C02 | O03 | 120.4° | 120.0° |
| C02 | O03 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F13 | C12 | C10 | C09 | 23.5° | 150.3° |
| F13 | C12 | C10 | F14 | 118.1° | 120.0° |
| F13 | C12 | C10 | F15 | 120.5° | 120.0° |
| F13 | C12 | F14 | F15 | 121.6° | 120.0° |
| F13 | C12 | C10 | C11 | 156.4° | 30.1° |
| C08 | C09 | C10 | H5 | 180.0° | 180.0° |
| C09 | C08 | C07 | H4 | 180.0° | 180.0° |
| C08 | C09 | C10 | C12 | 179.9° | 179.7° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.0° |
| C09 | C08 | C07 | H3 | 179.8° | 180.0° |
| C10 | C09 | C08 | C07 | 0.1° | 0.0° |
| C09 | C10 | C12 | C11 | 179.9° | 179.6° |
| C09 | C10 | C12 | F14 | 94.6° | 89.7° |
| C09 | C10 | C12 | F15 | 144.0° | 30.3° |
| C09 | C10 | C11 | C06 | 0.4° | 0.0° |
| C10 | C09 | C08 | H4 | 180.0° | 180.0° |
| C09 | C10 | C11 | H6 | 179.6° | 180.0° |
| C08 | C07 | C06 | H3 | 180.0° | 179.9° |
| C08 | C07 | C06 | C11 | 0.5° | 0.0° |
| C08 | C07 | C06 | C05 | 179.3° | 180.0° |
| C07 | C08 | C09 | H5 | 179.9° | 180.0° |
| C10 | C12 | F14 | F15 | 120.9° | 120.0° |
| C12 | C10 | C11 | C06 | 179.7° | 179.7° |
| C12 | C10 | C09 | H5 | 0.1° | 0.3° |
| C12 | C10 | C11 | H6 | 0.3° | 0.3° |
| F14 | C12 | C10 | C11 | 85.6° | 90.0° |
| F15 | C12 | C10 | C11 | 35.8° | 150.0° |
| C10 | C11 | C06 | C07 | 0.6° | 0.0° |
| C10 | C11 | C06 | H6 | 180.0° | 180.0° |
| C10 | C11 | C06 | C05 | 179.4° | 180.0° |
| C11 | C10 | C09 | H5 | 179.9° | 180.0° |
| C07 | C06 | C11 | C05 | 178.8° | 180.0° |
| C07 | C06 | C05 | C04 | 83.4° | 0.0° |
| C07 | C06 | C05 | H2 | 96.6° | 180.0° |
| C06 | C07 | C08 | H4 | 179.8° | 180.0° |
| C07 | C06 | C11 | H6 | 179.4° | 180.0° |
| C11 | C06 | C05 | C04 | 95.4° | 180.0° |
| C11 | C06 | C05 | H2 | 84.6° | 0.0° |
| C11 | C06 | C07 | H3 | 179.5° | 180.0° |
| C06 | C05 | C04 | H2 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.7° | 180.0° |
| C06 | C05 | C04 | H1 | 0.3° | 0.1° |
| C05 | C06 | C07 | H3 | 0.7° | 0.0° |
| C05 | C06 | C11 | H6 | 0.6° | 0.0° |
| C05 | C04 | C02 | H1 | 180.0° | 179.9° |
| C05 | C04 | C02 | O01 | 130.2° | 0.0° |
| C05 | C04 | C02 | O03 | 49.6° | 180.0° |
| C04 | C02 | O01 | O03 | 179.8° | 180.0° |
| C02 | C04 | C05 | H2 | 0.3° | 0.0° |
| C04 | C02 | O03 | H7 | 179.8° | 180.0° |
| O01 | C02 | C04 | H1 | 49.8° | 179.9° |
| O01 | C02 | O03 | H7 | 0.0° | 0.0° |
| O03 | C02 | C04 | H1 | 130.4° | 0.0° |
| H1 | C04 | C05 | H2 | 179.7° | 179.9° |
| H3 | C07 | C08 | H4 | 0.2° | 0.0° |
| H4 | C08 | C09 | H5 | 0.0° | 0.0° |
