97Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F17 | C16 | sing | 1.40Å | 1.36Å | |
| F18 | C16 | sing | 1.40Å | 1.36Å | |
| F13 | C12 | sing | 1.40Å | 1.36Å | |
| F14 | C12 | sing | 1.40Å | 1.36Å | |
| C16 | F19 | sing | 1.40Å | 1.36Å | |
| C16 | C04 | sing | 1.51Å | 1.52Å | |
| F15 | C12 | sing | 1.40Å | 1.36Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| N05 | C04 | doub | 1.31Å | 1.32Å | Aromatic |
| N05 | C06 | sing | 1.34Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C06 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.36Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.42Å | 1.36Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C02 | sing | 1.41Å | 1.45Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.43Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C09 | C08 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F17 | C16 | F18 | 109.3° | 109.5° |
| F17 | C16 | F19 | 107.4° | 109.5° |
| F17 | C16 | C04 | 109.3° | 109.5° |
| F18 | C16 | F19 | 110.9° | 109.5° |
| F18 | C16 | C04 | 111.5° | 109.5° |
| F13 | C12 | F14 | 106.2° | 109.5° |
| F13 | C12 | F15 | 110.5° | 109.5° |
| F13 | C12 | C11 | 107.5° | 109.5° |
| F14 | C12 | F15 | 109.9° | 109.5° |
| F14 | C12 | C11 | 112.9° | 109.5° |
| F19 | C16 | C04 | 108.4° | 109.5° |
| C16 | C04 | N05 | 116.7° | 119.1° |
| C16 | C04 | C03 | 122.4° | 119.1° |
| F15 | C12 | C11 | 109.7° | 109.4° |
| C12 | C11 | C06 | 117.8° | 120.1° |
| C12 | C11 | C10 | 122.7° | 120.1° |
| C04 | N05 | C06 | 122.2° | 121.6° |
| N05 | C04 | C03 | 120.8° | 121.8° |
| N05 | C06 | C11 | 116.3° | 121.0° |
| N05 | C06 | C07 | 121.8° | 119.9° |
| C04 | C03 | C02 | 118.1° | 119.7° |
| C04 | C03 | H3 | 120.9° | 120.1° |
| C06 | C11 | C10 | 119.5° | 119.8° |
| C11 | C06 | C07 | 122.0° | 119.1° |
| C11 | C10 | C09 | 119.1° | 121.0° |
| C11 | C10 | H1 | 120.5° | 119.5° |
| C06 | C07 | C02 | 117.2° | 119.0° |
| C06 | C07 | C08 | 118.9° | 119.7° |
| C03 | C02 | C07 | 119.9° | 117.9° |
| C03 | C02 | O01 | 118.9° | 121.0° |
| C02 | C03 | H3 | 121.0° | 120.2° |
| C10 | C09 | C08 | 120.9° | 120.8° |
| C09 | C10 | H1 | 120.4° | 119.5° |
| C10 | C09 | H5 | 119.5° | 119.6° |
| C02 | C07 | C08 | 123.9° | 121.4° |
| C07 | C02 | O01 | 121.2° | 121.1° |
| C07 | C08 | C09 | 119.7° | 119.6° |
| C07 | C08 | H4 | 120.2° | 120.2° |
| C02 | O01 | H2 | 109.5° | 114.0° |
| C09 | C08 | H4 | 120.1° | 120.2° |
| C08 | C09 | H5 | 119.6° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F17 | C16 | F18 | F19 | 118.2° | 120.0° |
| F17 | C16 | F18 | C04 | 121.0° | 120.0° |
| F17 | C16 | F19 | C04 | 118.1° | 120.0° |
| F17 | C16 | C04 | N05 | 5.0° | 30.0° |
| F17 | C16 | C04 | C03 | 174.4° | 150.0° |
| F18 | C16 | F19 | C04 | 122.6° | 120.0° |
| F18 | C16 | C04 | N05 | 115.9° | 150.0° |
| F18 | C16 | C04 | C03 | 64.7° | 30.0° |
| F13 | C12 | F14 | F15 | 119.6° | 120.0° |
| F13 | C12 | F14 | C11 | 117.6° | 120.1° |
| F13 | C12 | F15 | C11 | 118.4° | 120.0° |
| F13 | C12 | C11 | C06 | 72.4° | 180.0° |
| F13 | C12 | C11 | C10 | 106.3° | 0.0° |
| F14 | C12 | F15 | C11 | 124.7° | 120.0° |
| F14 | C12 | C11 | C06 | 44.5° | 60.0° |
| F14 | C12 | C11 | C10 | 136.8° | 120.0° |
| F19 | C16 | C04 | N05 | 121.8° | 90.0° |
| F19 | C16 | C04 | C03 | 57.6° | 90.0° |
| C16 | C04 | N05 | C03 | 179.3° | 180.0° |
| C16 | C04 | N05 | C06 | 179.4° | 180.0° |
| C16 | C04 | C03 | C02 | 179.6° | 180.0° |
| C16 | C04 | C03 | H3 | 0.4° | 0.0° |
| F15 | C12 | C11 | C06 | 167.4° | 60.0° |
| F15 | C12 | C11 | C10 | 13.9° | 120.0° |
| C12 | C11 | C06 | N05 | 1.1° | 0.0° |
| C12 | C11 | C06 | C10 | 178.8° | 180.0° |
| C12 | C11 | C06 | C07 | 179.0° | 180.0° |
| C12 | C11 | C10 | C09 | 178.8° | 180.0° |
| C12 | C11 | C10 | H1 | 1.2° | 0.3° |
| C04 | N05 | C06 | C11 | 179.8° | 180.0° |
| C04 | N05 | C06 | C07 | 0.1° | 0.0° |
| N05 | C04 | C03 | C02 | 0.3° | 0.1° |
| N05 | C04 | C03 | H3 | 179.7° | 180.0° |
| C06 | N05 | C04 | C03 | 0.1° | 0.0° |
| N05 | C06 | C11 | C07 | 179.9° | 180.0° |
| N05 | C06 | C11 | C10 | 179.9° | 180.0° |
| N05 | C06 | C07 | C02 | 0.1° | 0.0° |
| N05 | C06 | C07 | C08 | 180.0° | 179.7° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.2° | 0.0° |
| C04 | C03 | C02 | O01 | 180.0° | 179.9° |
| C06 | C11 | C10 | C09 | 0.1° | 0.0° |
| C11 | C06 | C07 | C02 | 179.8° | 180.0° |
| C11 | C06 | C07 | C08 | 0.1° | 0.3° |
| C06 | C11 | C10 | H1 | 179.9° | 179.7° |
| C10 | C11 | C06 | C07 | 0.2° | 0.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.2° | 0.2° |
| C11 | C10 | C09 | H5 | 179.8° | 179.8° |
| C06 | C07 | C02 | C03 | 0.1° | 0.0° |
| C06 | C07 | C02 | C08 | 179.9° | 179.7° |
| C06 | C07 | C02 | O01 | 179.8° | 180.0° |
| C06 | C07 | C08 | C09 | 0.1° | 0.6° |
| C06 | C07 | C08 | H4 | 179.9° | 180.0° |
| C03 | C02 | C07 | O01 | 179.7° | 180.0° |
| C03 | C02 | C07 | C08 | 179.8° | 179.7° |
| C03 | C02 | O01 | H2 | 180.0° | 90.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.5° |
| C10 | C09 | C08 | H5 | 180.0° | 180.0° |
| C10 | C09 | C08 | H4 | 179.8° | 179.9° |
| C02 | C07 | C08 | C09 | 180.0° | 179.8° |
| C07 | C02 | O01 | H2 | 0.3° | 90.0° |
| C07 | C02 | C03 | H3 | 179.8° | 180.0° |
| C02 | C07 | C08 | H4 | 0.0° | 0.4° |
| C08 | C07 | C02 | O01 | 0.1° | 0.3° |
| C07 | C08 | C09 | H4 | 180.0° | 179.4° |
| C07 | C08 | C09 | H5 | 179.8° | 179.5° |
| O01 | C02 | C03 | H3 | 0.0° | 0.0° |
| C08 | C09 | C10 | H1 | 179.9° | 180.0° |
| H1 | C10 | C09 | H5 | 0.1° | 0.0° |
| H4 | C08 | C09 | H5 | 0.2° | 0.1° |
