KPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F6 | C3 | sing | 1.40Å | 1.30Å | |
| F4 | C2 | sing | 1.40Å | 1.31Å | |
| F7 | C3 | sing | 1.40Å | 1.31Å | |
| F | C | sing | 1.40Å | 1.34Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | F8 | sing | 1.40Å | 1.30Å | |
| F3 | C1 | sing | 1.40Å | 1.33Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | F5 | sing | 1.40Å | 1.33Å | |
| C1 | C | sing | 1.53Å | 1.58Å | |
| C1 | F2 | sing | 1.40Å | 1.32Å | |
| C | F1 | sing | 1.40Å | 1.36Å | |
| C | S | sing | 1.81Å | 1.81Å | |
| N | S | sing | 1.66Å | 1.53Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | O | doub | 1.42Å | 1.44Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F6 | C3 | F7 | 105.6° | 109.5° |
| F6 | C3 | C2 | 111.3° | 109.5° |
| F6 | C3 | F8 | 109.1° | 109.5° |
| F4 | C2 | C3 | 109.5° | 109.5° |
| F4 | C2 | C1 | 108.4° | 109.5° |
| F4 | C2 | F5 | 107.9° | 109.4° |
| F7 | C3 | C2 | 110.8° | 109.5° |
| F7 | C3 | F8 | 107.3° | 109.5° |
| F | C | C1 | 105.4° | 109.5° |
| F | C | F1 | 107.9° | 109.5° |
| F | C | S | 110.7° | 109.5° |
| C2 | C3 | F8 | 112.5° | 109.5° |
| C3 | C2 | C1 | 114.8° | 109.5° |
| C3 | C2 | F5 | 107.0° | 109.5° |
| F3 | C1 | C2 | 107.2° | 109.5° |
| F3 | C1 | C | 108.4° | 109.5° |
| F3 | C1 | F2 | 108.0° | 109.4° |
| C1 | C2 | F5 | 108.9° | 109.5° |
| C2 | C1 | C | 116.5° | 109.5° |
| C2 | C1 | F2 | 108.0° | 109.5° |
| C | C1 | F2 | 108.4° | 109.5° |
| C1 | C | F1 | 107.4° | 109.5° |
| C1 | C | S | 115.5° | 109.4° |
| F1 | C | S | 109.6° | 109.5° |
| C | S | N | 104.3° | 104.4° |
| C | S | O1 | 103.9° | 110.6° |
| C | S | O | 103.2° | 110.6° |
| N | S | O1 | 111.3° | 104.3° |
| N | S | O | 113.7° | 104.3° |
| S | N | H1 | 109.5° | 120.0° |
| S | N | H2 | 109.4° | 120.0° |
| O1 | S | O | 118.5° | 121.1° |
| H1 | N | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F6 | C3 | C2 | F4 | 55.9° | 60.0° |
| F6 | C3 | F7 | C2 | 120.6° | 120.0° |
| F6 | C3 | F7 | F8 | 116.2° | 120.0° |
| F6 | C3 | C2 | F8 | 122.8° | 120.0° |
| F6 | C3 | C2 | C1 | 66.3° | 180.0° |
| F6 | C3 | C2 | F5 | 172.7° | 60.0° |
| F4 | C2 | C3 | F7 | 61.2° | 60.0° |
| F4 | C2 | C3 | C1 | 122.2° | 120.0° |
| F4 | C2 | C3 | F5 | 116.7° | 120.0° |
| F4 | C2 | C3 | F8 | 178.7° | 180.0° |
| F4 | C2 | C1 | F3 | 70.7° | 60.1° |
| F4 | C2 | C1 | F5 | 117.2° | 119.9° |
| F4 | C2 | C1 | C | 50.9° | 60.0° |
| F4 | C2 | C1 | F2 | 173.1° | NaN° |
| F7 | C3 | C2 | F8 | 120.0° | 120.0° |
| F7 | C3 | C2 | C1 | 176.5° | 60.0° |
| F7 | C3 | C2 | F5 | 55.5° | 180.0° |
| F | C | C1 | F3 | 47.2° | 60.0° |
| F | C | C1 | C2 | 73.8° | 60.0° |
| F | C | C1 | F1 | 114.9° | 120.0° |
| F | C | C1 | S | 122.5° | 120.0° |
| F | C | C1 | F2 | 164.2° | 180.0° |
| F | C | F1 | S | 120.6° | 120.0° |
| F | C | S | N | 39.5° | 60.0° |
| F | C | S | O1 | 77.2° | 51.6° |
| F | C | S | O | 158.6° | 171.6° |
| C3 | C2 | C1 | F3 | 52.1° | 60.0° |
| C3 | C2 | C1 | F5 | 120.0° | 120.0° |
| C3 | C2 | C1 | C | 173.7° | 180.0° |
| C3 | C2 | C1 | F2 | 64.1° | 60.0° |
| F8 | C3 | C2 | C1 | 56.5° | 60.0° |
| F8 | C3 | C2 | F5 | 64.5° | 60.0° |
| F3 | C1 | C2 | C | 121.6° | 120.0° |
| F3 | C1 | C2 | F2 | 116.2° | 119.9° |
| F3 | C1 | C2 | F5 | 172.1° | NaN° |
| F3 | C1 | C | F2 | 117.0° | 120.0° |
| F3 | C1 | C | F1 | 162.1° | 180.0° |
| F3 | C1 | C | S | 75.3° | 60.0° |
| C2 | C1 | C | F2 | 122.0° | 120.0° |
| C2 | C1 | C | F1 | 41.1° | 60.0° |
| C2 | C1 | C | S | 163.7° | 180.0° |
| F5 | C2 | C1 | C | 66.3° | 60.0° |
| F5 | C2 | C1 | F2 | 55.9° | 60.1° |
| C1 | C | F1 | S | 126.2° | 120.0° |
| C1 | C | S | N | 159.2° | 180.0° |
| C1 | C | S | O1 | 42.5° | 68.4° |
| C1 | C | S | O | 81.8° | 68.4° |
| F2 | C1 | C | F1 | 80.9° | 60.0° |
| F2 | C1 | C | S | 41.7° | 60.0° |
| F1 | C | S | N | 79.4° | 60.0° |
| F1 | C | S | O1 | 164.0° | 171.6° |
| F1 | C | S | O | 39.7° | 51.6° |
| C | S | N | O1 | 111.4° | 116.1° |
| C | S | N | O | 111.7° | 116.1° |
| C | S | O1 | O | 113.8° | 131.6° |
| C | S | N | H1 | 180.0° | 0.0° |
| C | S | N | H2 | 60.0° | 180.0° |
| N | S | O1 | O | 134.6° | 116.7° |
| S | N | H1 | H2 | 120.0° | 180.0° |
| O1 | S | N | H1 | 68.6° | 116.1° |
| O1 | S | N | H2 | 51.4° | 63.9° |
| O | S | N | H1 | 68.3° | 116.1° |
| O | S | N | H2 | 171.7° | 63.9° |
