97W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F13 | C12 | sing | 1.40Å | 1.36Å | |
| F15 | C12 | sing | 1.40Å | 1.36Å | |
| F14 | C12 | sing | 1.40Å | 1.37Å | |
| C12 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.36Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.41Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C11 | sing | 1.42Å | 1.37Å | Aromatic |
| C06 | N05 | sing | 1.34Å | 1.36Å | Aromatic |
| C11 | C02 | sing | 1.41Å | 1.42Å | Aromatic |
| N05 | C04 | doub | 1.31Å | 1.32Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F13 | C12 | F15 | 107.9° | 109.5° |
| F13 | C12 | F14 | 109.8° | 109.5° |
| F13 | C12 | C08 | 108.1° | 109.5° |
| F15 | C12 | F14 | 111.2° | 109.5° |
| F15 | C12 | C08 | 110.2° | 109.5° |
| F14 | C12 | C08 | 109.5° | 109.5° |
| C12 | C08 | C09 | 119.1° | 119.5° |
| C12 | C08 | C07 | 120.5° | 119.5° |
| C09 | C08 | C07 | 120.4° | 121.1° |
| C08 | C09 | C10 | 120.2° | 120.8° |
| C08 | C09 | H6 | 119.9° | 119.6° |
| C08 | C07 | C06 | 119.3° | 119.8° |
| C08 | C07 | H5 | 120.3° | 120.1° |
| C09 | C10 | C11 | 119.7° | 119.7° |
| C09 | C10 | H1 | 120.1° | 120.2° |
| C10 | C09 | H6 | 119.9° | 119.6° |
| C07 | C06 | C11 | 120.1° | 119.0° |
| C07 | C06 | N05 | 118.7° | 121.0° |
| C06 | C07 | H5 | 120.4° | 120.1° |
| C10 | C11 | C06 | 120.2° | 119.7° |
| C10 | C11 | C02 | 121.1° | 121.4° |
| C11 | C10 | H1 | 120.1° | 120.2° |
| C11 | C06 | N05 | 121.1° | 120.0° |
| C06 | C11 | C02 | 118.7° | 118.9° |
| C06 | N05 | C04 | 120.6° | 121.6° |
| C11 | C02 | O01 | 120.1° | 121.0° |
| C11 | C02 | C03 | 119.4° | 117.9° |
| N05 | C04 | C03 | 122.2° | 121.8° |
| N05 | C04 | H4 | 118.9° | 119.1° |
| O01 | C02 | C03 | 120.6° | 121.0° |
| C02 | O01 | H2 | 109.5° | 113.9° |
| C02 | C03 | C04 | 118.0° | 119.7° |
| C02 | C03 | H3 | 121.0° | 120.1° |
| C04 | C03 | H3 | 121.0° | 120.2° |
| C03 | C04 | H4 | 118.9° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F13 | C12 | F15 | F14 | 120.5° | 120.0° |
| F13 | C12 | F15 | C08 | 117.9° | 120.0° |
| F13 | C12 | F14 | C08 | 118.6° | 120.0° |
| F13 | C12 | C08 | C09 | 72.7° | 0.0° |
| F13 | C12 | C08 | C07 | 106.5° | 179.5° |
| F15 | C12 | F14 | C08 | 122.0° | 120.0° |
| F15 | C12 | C08 | C09 | 169.5° | 120.1° |
| F15 | C12 | C08 | C07 | 11.2° | 59.5° |
| F14 | C12 | C08 | C09 | 46.9° | 119.9° |
| F14 | C12 | C08 | C07 | 133.8° | 60.5° |
| C12 | C08 | C09 | C07 | 179.3° | 179.5° |
| C12 | C08 | C09 | C10 | 179.5° | 179.9° |
| C12 | C08 | C07 | C06 | 179.4° | 179.8° |
| C12 | C08 | C07 | H5 | 0.6° | 0.3° |
| C12 | C08 | C09 | H6 | 0.4° | 0.1° |
| C08 | C09 | C10 | H6 | 180.0° | 179.8° |
| C09 | C08 | C07 | C06 | 0.2° | 0.7° |
| C08 | C09 | C10 | C11 | 0.4° | 0.1° |
| C08 | C09 | C10 | H1 | 179.7° | 179.8° |
| C09 | C08 | C07 | H5 | 179.8° | 179.8° |
| C07 | C08 | C09 | C10 | 0.3° | 0.4° |
| C08 | C07 | C06 | H5 | 180.0° | 179.5° |
| C08 | C07 | C06 | C11 | 0.1° | 0.5° |
| C08 | C07 | C06 | N05 | 179.9° | 179.5° |
| C07 | C08 | C09 | H6 | 179.7° | 179.4° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 0.3° | 0.3° |
| C09 | C10 | C11 | C02 | 180.0° | 179.7° |
| C07 | C06 | C11 | C10 | 0.2° | 0.0° |
| C07 | C06 | C11 | N05 | 180.0° | 180.0° |
| C07 | C06 | C11 | C02 | 179.9° | 180.0° |
| C07 | C06 | N05 | C04 | 179.9° | 180.0° |
| C10 | C11 | C06 | C02 | 179.7° | 180.0° |
| C10 | C11 | C06 | N05 | 179.8° | 180.0° |
| C10 | C11 | C02 | O01 | 0.4° | 0.1° |
| C10 | C11 | C02 | C03 | 179.7° | 180.0° |
| C11 | C10 | C09 | H6 | 179.6° | 179.9° |
| C11 | C06 | N05 | C04 | 0.1° | 0.0° |
| C06 | C11 | C02 | O01 | 179.9° | 180.0° |
| C06 | C11 | C02 | C03 | 0.0° | 0.0° |
| C06 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C06 | C07 | H5 | 179.9° | 180.0° |
| N05 | C06 | C11 | C02 | 0.1° | 0.0° |
| C06 | N05 | C04 | C03 | 0.0° | 0.1° |
| C06 | N05 | C04 | H4 | 179.9° | 180.0° |
| N05 | C06 | C07 | H5 | 0.1° | 0.0° |
| C11 | C02 | O01 | C03 | 179.9° | 179.9° |
| C11 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C11 | C10 | H1 | 0.0° | 0.0° |
| C11 | C02 | O01 | H2 | 180.0° | 90.0° |
| C11 | C02 | C03 | H3 | 180.0° | 180.0° |
| N05 | C04 | C03 | C02 | 0.0° | 0.0° |
| N05 | C04 | C03 | H4 | 180.0° | 180.0° |
| N05 | C04 | C03 | H3 | 180.0° | 180.0° |
| O01 | C02 | C03 | C04 | 179.9° | 179.9° |
| O01 | C02 | C03 | H3 | 0.1° | 0.1° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C03 | C02 | O01 | H2 | 0.1° | 90.0° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| H1 | C10 | C09 | H6 | 0.4° | 0.4° |
| H3 | C03 | C04 | H4 | 0.0° | 0.0° |
