KF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F02 | C22 | sing | 1.40Å | 1.38Å | |
| F03 | C22 | sing | 1.40Å | 1.38Å | |
| C22 | F04 | sing | 1.40Å | 1.39Å | |
| C22 | C19 | sing | 1.51Å | 1.60Å | |
| C21 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.44Å | Aromatic |
| C19 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C17 | CL01 | sing | 1.74Å | 1.85Å | |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.59Å | |
| C15 | N08 | sing | 1.47Å | 1.47Å | |
| N08 | C13 | sing | 1.35Å | 1.42Å | |
| C13 | C09 | sing | 1.51Å | 1.56Å | |
| C13 | O06 | doub | 1.21Å | 1.23Å | |
| C09 | N07 | sing | 1.47Å | 1.49Å | |
| C09 | C10 | sing | 1.54Å | 1.56Å | |
| C14 | N07 | sing | 1.46Å | 1.48Å | |
| N07 | C12 | sing | 1.34Å | 1.44Å | |
| C10 | C11 | sing | 1.55Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | O05 | doub | 1.21Å | 1.23Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F02 | C22 | F03 | 102.9° | 109.5° |
| F02 | C22 | F04 | 101.5° | 109.4° |
| F02 | C22 | C19 | 116.1° | 109.5° |
| F03 | C22 | F04 | 101.2° | 109.5° |
| F03 | C22 | C19 | 115.9° | 109.5° |
| F04 | C22 | C19 | 116.9° | 109.4° |
| C22 | C19 | C21 | 119.6° | 120.1° |
| C22 | C19 | C17 | 121.0° | 120.0° |
| C19 | C21 | C20 | 119.3° | 120.1° |
| C21 | C19 | C17 | 119.4° | 119.9° |
| C19 | C21 | H211 | 120.3° | 119.9° |
| C21 | C20 | C18 | 119.8° | 120.0° |
| C21 | C20 | H201 | 120.1° | 120.0° |
| C20 | C21 | H211 | 120.4° | 120.0° |
| C19 | C17 | CL01 | 119.0° | 120.0° |
| C19 | C17 | C16 | 123.0° | 120.0° |
| C20 | C18 | C16 | 120.9° | 120.1° |
| C18 | C20 | H201 | 120.1° | 120.1° |
| C20 | C18 | H181 | 119.6° | 120.0° |
| CL01 | C17 | C16 | 118.1° | 120.0° |
| C17 | C16 | C18 | 117.7° | 119.9° |
| C17 | C16 | C15 | 121.2° | 120.0° |
| C18 | C16 | C15 | 121.0° | 120.1° |
| C16 | C18 | H181 | 119.6° | 120.0° |
| C16 | C15 | N08 | 110.0° | 109.5° |
| C16 | C15 | H151 | 109.3° | 109.4° |
| C16 | C15 | H152 | 109.3° | 109.5° |
| C15 | N08 | C13 | 127.5° | 120.0° |
| N08 | C15 | H151 | 109.3° | 109.5° |
| N08 | C15 | H152 | 109.3° | 109.5° |
| C15 | N08 | H081 | 116.3° | 120.0° |
| N08 | C13 | C09 | 121.1° | 120.0° |
| N08 | C13 | O06 | 119.7° | 120.0° |
| C13 | N08 | H081 | 116.3° | 120.0° |
| C09 | C13 | O06 | 119.2° | 120.0° |
| C13 | C09 | N07 | 113.4° | 110.3° |
| C13 | C09 | C10 | 111.2° | 110.2° |
| C13 | C09 | H091 | 108.7° | 110.3° |
| N07 | C09 | C10 | 105.2° | 105.4° |
| C09 | N07 | C14 | 124.9° | 124.3° |
| C09 | N07 | C12 | 108.6° | 111.3° |
| N07 | C09 | H091 | 109.5° | 110.3° |
| C09 | C10 | C11 | 104.4° | 101.8° |
| C09 | C10 | H101 | 110.7° | 111.0° |
| C09 | C10 | H102 | 110.7° | 111.0° |
| C10 | C09 | H091 | 108.7° | 110.2° |
| C14 | N07 | C12 | 126.5° | 124.4° |
| N07 | C14 | H143 | 109.5° | 109.5° |
| N07 | C14 | H142 | 109.5° | 109.5° |
| N07 | C14 | H141 | 109.4° | 109.5° |
| N07 | C12 | C11 | 109.9° | 110.1° |
| N07 | C12 | O05 | 126.2° | 125.0° |
| C10 | C11 | C12 | 104.0° | 104.2° |
| C11 | C10 | H101 | 110.7° | 111.0° |
| C11 | C10 | H102 | 110.7° | 111.0° |
| C10 | C11 | H112 | 110.8° | 110.5° |
| C10 | C11 | H111 | 110.8° | 110.5° |
| C11 | C12 | O05 | 123.9° | 124.9° |
| C12 | C11 | H112 | 110.8° | 110.5° |
| C12 | C11 | H111 | 110.8° | 110.6° |
| H101 | C10 | H102 | 109.5° | 110.8° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 110.4° |
| H143 | C14 | H142 | 109.4° | 109.4° |
| H143 | C14 | H141 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F02 | C22 | F03 | F04 | 104.7° | 120.0° |
| F02 | C22 | F03 | C19 | 127.8° | 120.0° |
| F02 | C22 | F04 | C19 | 127.3° | 120.0° |
| F02 | C22 | C19 | C21 | 6.6° | 120.0° |
| F02 | C22 | C19 | C17 | 172.8° | 60.0° |
| F03 | C22 | F04 | C19 | 126.9° | 120.0° |
| F03 | C22 | C19 | C21 | 114.3° | 120.0° |
| F03 | C22 | C19 | C17 | 66.2° | 60.1° |
| F04 | C22 | C19 | C21 | 126.4° | 0.0° |
| F04 | C22 | C19 | C17 | 53.1° | 179.9° |
| C22 | C19 | C21 | C17 | 179.5° | 180.0° |
| C22 | C19 | C21 | C20 | 179.9° | 180.0° |
| C22 | C19 | C17 | CL01 | 0.4° | 0.0° |
| C22 | C19 | C17 | C16 | 179.3° | 179.7° |
| C22 | C19 | C21 | H211 | 0.1° | 0.0° |
| C19 | C21 | C20 | H211 | 180.0° | 180.0° |
| C19 | C21 | C20 | C18 | 0.1° | 0.2° |
| C21 | C19 | C17 | CL01 | 179.8° | 180.0° |
| C21 | C19 | C17 | C16 | 0.2° | 0.2° |
| C19 | C21 | C20 | H201 | 179.9° | 179.9° |
| C20 | C21 | C19 | C17 | 0.4° | 0.0° |
| C21 | C20 | C18 | H201 | 180.0° | 179.7° |
| C21 | C20 | C18 | C16 | 0.8° | 0.2° |
| C21 | C20 | C18 | H181 | 179.2° | 179.7° |
| C19 | C17 | CL01 | C16 | 179.6° | 179.8° |
| C19 | C17 | C16 | C18 | 1.1° | 0.3° |
| C19 | C17 | C16 | C15 | 178.4° | 179.8° |
| C17 | C19 | C21 | H211 | 179.6° | 180.0° |
| C20 | C18 | C16 | C17 | 1.4° | 0.1° |
| C20 | C18 | C16 | H181 | 180.0° | 179.9° |
| C20 | C18 | C16 | C15 | 178.7° | 180.0° |
| C18 | C20 | C21 | H211 | 179.9° | 179.8° |
| CL01 | C17 | C16 | C18 | 179.3° | 180.0° |
| CL01 | C17 | C16 | C15 | 2.0° | 0.0° |
| C17 | C16 | C18 | C15 | 177.3° | 180.0° |
| C17 | C16 | C15 | N08 | 74.6° | 80.0° |
| C17 | C16 | C15 | H151 | 45.5° | 160.0° |
| C17 | C16 | C15 | H152 | 165.3° | 40.1° |
| C17 | C16 | C18 | H181 | 178.6° | 180.0° |
| C18 | C16 | C15 | N08 | 102.6° | 100.0° |
| C18 | C16 | C15 | H151 | 137.3° | 20.0° |
| C18 | C16 | C15 | H152 | 17.5° | 139.9° |
| C16 | C18 | C20 | H201 | 179.2° | 179.9° |
| C16 | C15 | N08 | H151 | 120.1° | 120.0° |
| C16 | C15 | N08 | H152 | 120.1° | 120.1° |
| C16 | C15 | N08 | C13 | 153.6° | 180.0° |
| C16 | C15 | H151 | H152 | 119.7° | 120.0° |
| C15 | C16 | C18 | H181 | 1.4° | 0.0° |
| C16 | C15 | N08 | H081 | 26.4° | 0.0° |
| C15 | N08 | C13 | H081 | 180.0° | 180.0° |
| C15 | N08 | C13 | C09 | 179.2° | 180.0° |
| C15 | N08 | C13 | O06 | 1.1° | 0.0° |
| N08 | C15 | H151 | H152 | 119.7° | 120.0° |
| N08 | C13 | C09 | O06 | 179.7° | 179.9° |
| N08 | C13 | C09 | N07 | 159.6° | 161.4° |
| N08 | C13 | C09 | C10 | 82.1° | 82.5° |
| C13 | N08 | C15 | H151 | 33.5° | 60.0° |
| C13 | N08 | C15 | H152 | 86.3° | 59.9° |
| N08 | C13 | C09 | H091 | 37.5° | 39.4° |
| C13 | C09 | N07 | C10 | 121.7° | 119.0° |
| C13 | C09 | N07 | H091 | 121.6° | 122.0° |
| C13 | C09 | C10 | H091 | 119.6° | 121.9° |
| C13 | C09 | N07 | C14 | 75.1° | 44.0° |
| C13 | C09 | N07 | C12 | 104.8° | 136.0° |
| C13 | C09 | C10 | C11 | 96.2° | 144.4° |
| C13 | C09 | C10 | H101 | 23.0° | 26.3° |
| C13 | C09 | C10 | H102 | 144.6° | 97.4° |
| C09 | C13 | N08 | H081 | 0.8° | 0.0° |
| O06 | C13 | C09 | N07 | 20.7° | 18.5° |
| O06 | C13 | C09 | C10 | 97.6° | 97.5° |
| O06 | C13 | C09 | H091 | 142.8° | 140.5° |
| O06 | C13 | N08 | H081 | 178.9° | 180.0° |
| N07 | C09 | C10 | H091 | 117.2° | 119.0° |
| C09 | N07 | C14 | C12 | 179.8° | 179.9° |
| N07 | C09 | C10 | C11 | 27.0° | 25.4° |
| C09 | N07 | C12 | C11 | 0.2° | 0.5° |
| C09 | N07 | C12 | O05 | 180.0° | 179.6° |
| N07 | C09 | C10 | H101 | 146.2° | 92.7° |
| N07 | C09 | C10 | H102 | 92.2° | 143.6° |
| C09 | N07 | C14 | H143 | 180.0° | 90.0° |
| C09 | N07 | C14 | H142 | 60.0° | 150.0° |
| C09 | N07 | C14 | H141 | 60.0° | 30.0° |
| C10 | C09 | N07 | C14 | 163.2° | 163.0° |
| C10 | C09 | N07 | C12 | 16.9° | 17.0° |
| C09 | C10 | C11 | H101 | 119.2° | 118.1° |
| C09 | C10 | C11 | H102 | 119.2° | 118.2° |
| C09 | C10 | C11 | C12 | 26.4° | 24.8° |
| C09 | C10 | H101 | H102 | 122.3° | 123.7° |
| C09 | C10 | C11 | H112 | 92.8° | 143.5° |
| C09 | C10 | C11 | H111 | 145.5° | 94.0° |
| C14 | N07 | C12 | C11 | 180.0° | 179.6° |
| C14 | N07 | C12 | O05 | 0.1° | 0.3° |
| C14 | N07 | C09 | H091 | 46.5° | 78.0° |
| N07 | C14 | H143 | H142 | 120.0° | 120.0° |
| N07 | C14 | H143 | H141 | 120.0° | 120.0° |
| N07 | C14 | H142 | H141 | 120.0° | 120.1° |
| N07 | C12 | C11 | C10 | 16.9° | 16.2° |
| N07 | C12 | C11 | O05 | 179.9° | 179.9° |
| C12 | N07 | C09 | H091 | 133.6° | 102.0° |
| N07 | C12 | C11 | H112 | 102.2° | 134.9° |
| N07 | C12 | C11 | H111 | 136.1° | 102.5° |
| C12 | N07 | C14 | H143 | 0.2° | 90.0° |
| C12 | N07 | C14 | H142 | 120.2° | 29.9° |
| C12 | N07 | C14 | H141 | 119.8° | 150.0° |
| C10 | C11 | C12 | H112 | 119.1° | 118.7° |
| C10 | C11 | C12 | H111 | 119.1° | 118.7° |
| C10 | C11 | C12 | O05 | 162.9° | 163.7° |
| C11 | C10 | H101 | H102 | 122.3° | 123.8° |
| C11 | C10 | C09 | H091 | 144.2° | 93.6° |
| C10 | C11 | H112 | H111 | 122.5° | 122.5° |
| C12 | C11 | C10 | H101 | 145.5° | 93.4° |
| C12 | C11 | C10 | H102 | 92.8° | 142.9° |
| C12 | C11 | H112 | H111 | 122.5° | 122.7° |
| O05 | C12 | C11 | H112 | 78.0° | 45.0° |
| O05 | C12 | C11 | H111 | 43.8° | 77.6° |
| H101 | C10 | C09 | H091 | 96.6° | 148.2° |
| H101 | C10 | C11 | H112 | 26.4° | 25.3° |
| H101 | C10 | C11 | H111 | 95.3° | 147.8° |
| H102 | C10 | C09 | H091 | 25.0° | 24.6° |
| H102 | C10 | C11 | H112 | 148.0° | 98.4° |
| H102 | C10 | C11 | H111 | 26.3° | 24.2° |
| H151 | C15 | N08 | H081 | 146.5° | 120.0° |
| H152 | C15 | N08 | H081 | 93.7° | 120.0° |
| H201 | C20 | C21 | H211 | 0.1° | 0.1° |
| H201 | C20 | C18 | H181 | 0.8° | 0.0° |
| H143 | C14 | H142 | H141 | 120.0° | 120.0° |
