8JW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C5 | sing | 1.40Å | 1.33Å | |
| F | C5 | sing | 1.40Å | 1.30Å | |
| C5 | C1 | sing | 1.51Å | 1.48Å | |
| C5 | F2 | sing | 1.40Å | 1.33Å | |
| C | C1 | sing | 1.40Å | 1.44Å | |
| C | C4 | doub | 1.37Å | 1.37Å | |
| N1 | C4 | sing | 1.40Å | 1.36Å | |
| C1 | C2 | doub | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.41Å | 1.47Å | |
| C2 | N | sing | 1.36Å | 1.35Å | |
| C3 | N | sing | 1.35Å | 1.40Å | |
| C3 | O | doub | 1.22Å | 1.23Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C5 | F | 105.9° | 109.5° |
| F1 | C5 | C1 | 112.6° | 109.4° |
| F1 | C5 | F2 | 108.4° | 109.5° |
| F | C5 | C1 | 112.1° | 109.4° |
| F | C5 | F2 | 106.2° | 109.5° |
| C1 | C5 | F2 | 111.3° | 109.5° |
| C5 | C1 | C | 117.1° | 120.0° |
| C5 | C1 | C2 | 123.0° | 120.0° |
| C1 | C | C4 | 119.3° | 119.2° |
| C | C1 | C2 | 119.9° | 120.0° |
| C1 | C | H1 | 120.4° | 120.4° |
| C | C4 | N1 | 124.9° | 120.4° |
| C | C4 | C3 | 120.6° | 119.2° |
| C4 | C | H1 | 120.3° | 120.3° |
| N1 | C4 | C3 | 114.5° | 120.4° |
| C4 | N1 | H3 | 109.5° | 120.0° |
| C4 | N1 | H4 | 109.5° | 120.0° |
| C1 | C2 | N | 121.4° | 120.9° |
| C1 | C2 | H2 | 119.3° | 119.6° |
| C4 | C3 | N | 115.4° | 119.9° |
| C4 | C3 | O | 123.5° | 120.1° |
| C2 | N | C3 | 123.4° | 120.7° |
| N | C2 | H2 | 119.3° | 119.5° |
| C2 | N | H | 118.3° | 119.6° |
| N | C3 | O | 121.1° | 120.0° |
| C3 | N | H | 118.3° | 119.6° |
| H3 | N1 | H4 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C5 | F | C1 | 123.1° | 119.9° |
| F1 | C5 | F | F2 | 115.1° | 120.1° |
| F1 | C5 | C1 | F2 | 122.0° | 120.0° |
| F1 | C5 | C1 | C | 73.9° | 60.0° |
| F1 | C5 | C1 | C2 | 105.3° | 120.0° |
| F | C5 | C1 | F2 | 118.8° | 120.0° |
| F | C5 | C1 | C | 45.4° | 60.0° |
| F | C5 | C1 | C2 | 135.4° | 120.0° |
| C5 | C1 | C | C2 | 179.3° | 180.0° |
| C5 | C1 | C | C4 | 177.9° | 180.0° |
| C5 | C1 | C2 | N | 178.6° | 179.7° |
| C5 | C1 | C2 | H2 | 1.4° | 0.0° |
| C5 | C1 | C | H1 | 2.1° | 0.0° |
| F2 | C5 | C1 | C | 164.1° | 180.0° |
| F2 | C5 | C1 | C2 | 16.6° | 0.0° |
| C1 | C | C4 | H1 | 180.0° | 180.0° |
| C1 | C | C4 | N1 | 179.1° | 179.7° |
| C1 | C | C4 | C3 | 0.9° | 0.0° |
| C | C1 | C2 | N | 0.6° | 0.3° |
| C | C1 | C2 | H2 | 179.4° | 180.0° |
| C | C4 | N1 | C3 | 180.0° | 179.7° |
| C4 | C | C1 | C2 | 1.3° | 0.1° |
| C | C4 | C3 | N | 0.1° | 0.3° |
| C | C4 | C3 | O | 179.6° | 179.7° |
| C | C4 | N1 | H3 | 180.0° | 179.7° |
| C | C4 | N1 | H4 | 60.0° | 0.3° |
| N1 | C4 | C3 | N | 179.8° | 180.0° |
| N1 | C4 | C3 | O | 0.4° | 0.0° |
| C4 | N1 | H3 | H4 | 120.0° | 180.0° |
| N1 | C4 | C | H1 | 0.9° | 0.3° |
| C1 | C2 | N | H2 | 180.0° | 179.7° |
| C1 | C2 | N | C3 | 0.6° | 0.5° |
| C1 | C2 | N | H | 179.4° | 180.0° |
| C2 | C1 | C | H1 | 178.7° | 180.0° |
| C4 | C3 | N | C2 | 0.9° | 0.5° |
| C4 | C3 | N | O | 179.7° | 180.0° |
| C3 | C4 | N1 | H3 | 0.0° | 0.0° |
| C3 | C4 | N1 | H4 | 119.9° | 180.0° |
| C4 | C3 | N | H | 179.1° | 180.0° |
| C3 | C4 | C | H1 | 179.0° | 180.0° |
| C2 | N | C3 | H | 180.0° | 179.4° |
| C2 | N | C3 | O | 178.8° | 179.4° |
| C3 | N | C2 | H2 | 179.4° | 179.7° |
| O | C3 | N | H | 1.2° | 0.0° |
| H2 | C2 | N | H | 0.6° | 0.3° |
