6KN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F20 | C18 | sing | 1.40Å | 1.40Å | |
| F21 | C18 | sing | 1.40Å | 1.40Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N13 | C12 | sing | 1.37Å | 1.37Å | Aromatic |
| N13 | N15 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C18 | C10 | sing | 1.51Å | 1.50Å | |
| C18 | F19 | sing | 1.40Å | 1.39Å | |
| C12 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N15 | C16 | doub | 1.30Å | 1.30Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C8 | doub | 1.41Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.49Å | |
| C2 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.32Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| N13 | H9 | sing | 0.97Å | 1.00Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F20 | C18 | F21 | 111.2° | 109.5° |
| F20 | C18 | C10 | 111.2° | 109.5° |
| F20 | C18 | F19 | 109.5° | 109.4° |
| F21 | C18 | C10 | 110.2° | 109.5° |
| F21 | C18 | F19 | 107.3° | 109.5° |
| C12 | C11 | C10 | 118.7° | 120.1° |
| C11 | C12 | N13 | 133.0° | 133.6° |
| C11 | C12 | C17 | 120.5° | 119.8° |
| C12 | C11 | H8 | 120.7° | 120.0° |
| C11 | C10 | C18 | 121.4° | 119.6° |
| C11 | C10 | C9 | 121.4° | 120.8° |
| C10 | C11 | H8 | 120.6° | 119.9° |
| C12 | N13 | N15 | 107.8° | 108.1° |
| N13 | C12 | C17 | 106.6° | 106.6° |
| C12 | N13 | H9 | 126.1° | 126.0° |
| N13 | N15 | C16 | 110.4° | 109.7° |
| N15 | N13 | H9 | 126.1° | 125.9° |
| C1 | C2 | C7 | 123.8° | 120.5° |
| C1 | C2 | C3 | 117.5° | 120.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C10 | C18 | F19 | 107.3° | 109.5° |
| C18 | C10 | C9 | 117.1° | 119.6° |
| C12 | C17 | C16 | 106.6° | 107.0° |
| C12 | C17 | C8 | 120.0° | 119.5° |
| C10 | C9 | C8 | 121.9° | 120.4° |
| C10 | C9 | H7 | 119.1° | 119.8° |
| N15 | C16 | C17 | 108.7° | 108.7° |
| N15 | C16 | H10 | 125.6° | 125.6° |
| C16 | C17 | C8 | 133.4° | 133.5° |
| C17 | C16 | H10 | 125.7° | 125.7° |
| C17 | C8 | C9 | 117.5° | 119.4° |
| C17 | C8 | C7 | 123.1° | 120.3° |
| C9 | C8 | C7 | 119.3° | 120.3° |
| C8 | C9 | H7 | 119.0° | 119.8° |
| C8 | C7 | C2 | 124.7° | 120.9° |
| C8 | C7 | C6 | 118.2° | 120.9° |
| C7 | C2 | C3 | 118.7° | 119.0° |
| C2 | C7 | C6 | 117.1° | 118.2° |
| C2 | C3 | N4 | 121.5° | 120.9° |
| C2 | C3 | H6 | 119.3° | 119.5° |
| C7 | C6 | C5 | 120.2° | 118.9° |
| C7 | C6 | H2 | 119.9° | 120.5° |
| C3 | N4 | C5 | 122.1° | 122.0° |
| N4 | C3 | H6 | 119.3° | 119.6° |
| C6 | C5 | N4 | 120.4° | 120.9° |
| C6 | C5 | H1 | 119.8° | 119.5° |
| C5 | C6 | H2 | 119.9° | 120.6° |
| N4 | C5 | H1 | 119.8° | 119.6° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F20 | C18 | F21 | C10 | 123.8° | 120.0° |
| F20 | C18 | F21 | F19 | 119.7° | 120.0° |
| F20 | C18 | C10 | C11 | 16.5° | 29.9° |
| F20 | C18 | C10 | F19 | 119.7° | 119.9° |
| F20 | C18 | C10 | C9 | 164.0° | 150.0° |
| F21 | C18 | C10 | C11 | 140.3° | 150.0° |
| F21 | C18 | C10 | F19 | 116.5° | 120.0° |
| F21 | C18 | C10 | C9 | 40.2° | 30.0° |
| C12 | C11 | C10 | H8 | 180.0° | 179.8° |
| C11 | C12 | N13 | C17 | 179.9° | 179.8° |
| C11 | C12 | N13 | N15 | 179.5° | 180.0° |
| C12 | C11 | C10 | C18 | 179.4° | 179.7° |
| C12 | C11 | C10 | C9 | 0.1° | 0.3° |
| C11 | C12 | C17 | C16 | 180.0° | 180.0° |
| C11 | C12 | C17 | C8 | 0.2° | 0.0° |
| C11 | C12 | N13 | H9 | 0.5° | 0.0° |
| C10 | C11 | C12 | N13 | 179.6° | 180.0° |
| C11 | C10 | C18 | C9 | 179.5° | 180.0° |
| C11 | C10 | C18 | F19 | 103.2° | 90.0° |
| C10 | C11 | C12 | C17 | 0.4° | 0.2° |
| C11 | C10 | C9 | C8 | 0.9° | 0.0° |
| C11 | C10 | C9 | H7 | 179.1° | 180.0° |
| C12 | N13 | N15 | H9 | 180.0° | 179.9° |
| C12 | N13 | N15 | C16 | 0.9° | 0.2° |
| N13 | C12 | C17 | C16 | 0.1° | 0.2° |
| N13 | C12 | C17 | C8 | 179.7° | 179.8° |
| N13 | C12 | C11 | H8 | 0.4° | 0.2° |
| N15 | N13 | C12 | C17 | 0.6° | 0.2° |
| N13 | N15 | C16 | C17 | 0.8° | 0.0° |
| N13 | N15 | C16 | H10 | 179.1° | 179.8° |
| C1 | C2 | C7 | C8 | 1.5° | 0.0° |
| C1 | C2 | C7 | C3 | 179.6° | 180.0° |
| C1 | C2 | C7 | C6 | 179.3° | 179.9° |
| C1 | C2 | C3 | N4 | 180.0° | 179.7° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H5 | 120.0° | 119.9° |
| C1 | C2 | C3 | H6 | 0.0° | 0.0° |
| C18 | C10 | C9 | C8 | 179.6° | 179.9° |
| C18 | C10 | C9 | H7 | 0.4° | 0.1° |
| C18 | C10 | C11 | H8 | 0.6° | 0.1° |
| F19 | C18 | C10 | C9 | 76.3° | 90.0° |
| C12 | C17 | C16 | N15 | 0.5° | 0.1° |
| C12 | C17 | C16 | C8 | 179.8° | 180.0° |
| C12 | C17 | C8 | C9 | 1.2° | 0.2° |
| C12 | C17 | C8 | C7 | 178.8° | 180.0° |
| C17 | C12 | C11 | H8 | 179.6° | 180.0° |
| C17 | C12 | N13 | H9 | 179.4° | 179.8° |
| C12 | C17 | C16 | H10 | 179.5° | 179.9° |
| C10 | C9 | C8 | C17 | 1.5° | 0.2° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 179.2° | 180.0° |
| C9 | C10 | C11 | H8 | 179.9° | 179.9° |
| N15 | C16 | C17 | H10 | 180.0° | 179.8° |
| N15 | C16 | C17 | C8 | 179.7° | 179.9° |
| C16 | N15 | N13 | H9 | 179.1° | 179.9° |
| C16 | C17 | C8 | C9 | 179.0° | 179.7° |
| C16 | C17 | C8 | C7 | 1.4° | 0.0° |
| C17 | C8 | C9 | C7 | 177.7° | 179.8° |
| C17 | C8 | C7 | C2 | 130.6° | 65.0° |
| C17 | C8 | C7 | C6 | 51.6° | 115.1° |
| C17 | C8 | C9 | H7 | 178.5° | 179.8° |
| C8 | C17 | C16 | H10 | 0.3° | 0.1° |
| C9 | C8 | C7 | C2 | 51.9° | 115.2° |
| C9 | C8 | C7 | C6 | 126.0° | 64.7° |
| C8 | C7 | C2 | C6 | 177.8° | 179.9° |
| C8 | C7 | C2 | C3 | 178.9° | 180.0° |
| C8 | C7 | C6 | C5 | 179.3° | 180.0° |
| C8 | C7 | C6 | H2 | 0.7° | 0.1° |
| C7 | C8 | C9 | H7 | 0.8° | 0.0° |
| C7 | C2 | C3 | N4 | 0.3° | 0.3° |
| C2 | C7 | C6 | C5 | 1.3° | 0.0° |
| C2 | C7 | C6 | H2 | 178.7° | 180.0° |
| C7 | C2 | C1 | H3 | 89.8° | 90.0° |
| C7 | C2 | C1 | H4 | 150.2° | 150.0° |
| C7 | C2 | C1 | H5 | 30.2° | 30.1° |
| C7 | C2 | C3 | H6 | 179.7° | 180.0° |
| C3 | C2 | C7 | C6 | 1.0° | 0.1° |
| C2 | C3 | N4 | H6 | 180.0° | 179.7° |
| C2 | C3 | N4 | C5 | 0.2° | 0.5° |
| C3 | C2 | C1 | H3 | 89.8° | 90.0° |
| C3 | C2 | C1 | H4 | 30.2° | 30.0° |
| C3 | C2 | C1 | H5 | 150.2° | 150.0° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | N4 | 0.8° | 0.3° |
| C7 | C6 | C5 | H1 | 179.2° | 180.0° |
| C3 | N4 | C5 | C6 | 0.1° | 0.5° |
| C3 | N4 | C5 | H1 | 179.9° | 179.8° |
| C6 | C5 | N4 | H1 | 180.0° | 179.7° |
| N4 | C5 | C6 | H2 | 179.2° | 179.8° |
| C5 | N4 | C3 | H6 | 179.8° | 179.7° |
| H1 | C5 | C6 | H2 | 0.8° | 0.1° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
