K6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C7 | sing | 1.40Å | 1.27Å | |
| F1 | C7 | sing | 1.40Å | 1.24Å | |
| C7 | F2 | sing | 1.40Å | 1.34Å | |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C12 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | N2 | sing | 1.47Å | 1.49Å | |
| C6 | C1 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.49Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| C8 | N1 | sing | 1.35Å | 1.33Å | |
| C8 | O1 | doub | 1.22Å | 1.20Å | |
| N1 | C9 | sing | 1.46Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C7 | F1 | 106.9° | 109.5° |
| F3 | C7 | F2 | 102.5° | 109.4° |
| F3 | C7 | C4 | 113.9° | 109.5° |
| F1 | C7 | F2 | 107.0° | 109.5° |
| F1 | C7 | C4 | 109.8° | 109.5° |
| F2 | C7 | C4 | 116.1° | 109.5° |
| C7 | C4 | C3 | 120.7° | 119.9° |
| C7 | C4 | C5 | 119.8° | 119.9° |
| C3 | C4 | C5 | 119.5° | 120.2° |
| C4 | C3 | C2 | 119.6° | 120.3° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C4 | C5 | C6 | 120.4° | 119.8° |
| C4 | C5 | H4 | 119.8° | 120.1° |
| C3 | C2 | C1 | 121.4° | 120.1° |
| C3 | C2 | H2 | 119.3° | 119.9° |
| C2 | C3 | H3 | 120.2° | 119.9° |
| C15 | C12 | C13 | 110.1° | 109.5° |
| C15 | C12 | C14 | 108.6° | 109.5° |
| C15 | C12 | N2 | 111.1° | 109.5° |
| C12 | C15 | H19 | 109.5° | 109.5° |
| C12 | C15 | H20 | 109.5° | 109.5° |
| C12 | C15 | H21 | 109.5° | 109.4° |
| C5 | C6 | C1 | 120.2° | 119.7° |
| C5 | C6 | C8 | 119.7° | 120.1° |
| C6 | C5 | H4 | 119.8° | 120.1° |
| C2 | C1 | C6 | 118.6° | 119.8° |
| C2 | C1 | H1 | 120.7° | 120.1° |
| C1 | C2 | H2 | 119.3° | 119.9° |
| C13 | C12 | C14 | 110.3° | 109.4° |
| C13 | C12 | N2 | 112.4° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.4° |
| C12 | C13 | H14 | 109.5° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C14 | C12 | N2 | 104.2° | 109.4° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| C12 | C14 | H16 | 109.4° | 109.5° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| C12 | N2 | C11 | 116.7° | 110.9° |
| C12 | N2 | H12 | 107.6° | 111.0° |
| C1 | C6 | C8 | 119.4° | 120.1° |
| C6 | C1 | H1 | 120.7° | 120.1° |
| C6 | C8 | N1 | 116.4° | 120.0° |
| C6 | C8 | O1 | 120.2° | 120.0° |
| N2 | C11 | C10 | 113.7° | 109.4° |
| N2 | C11 | H10 | 108.4° | 109.5° |
| N2 | C11 | H11 | 108.4° | 109.5° |
| C11 | N2 | H12 | 107.7° | 111.0° |
| N1 | C8 | O1 | 123.3° | 120.1° |
| C8 | N1 | C9 | 122.7° | 120.0° |
| C8 | N1 | H5 | 118.7° | 120.0° |
| N1 | C9 | C10 | 115.3° | 109.4° |
| C9 | N1 | H5 | 118.6° | 120.0° |
| N1 | C9 | H6 | 108.0° | 109.5° |
| N1 | C9 | H7 | 108.0° | 109.5° |
| C11 | C10 | C9 | 115.8° | 109.4° |
| C11 | C10 | H9 | 107.9° | 109.5° |
| C11 | C10 | H8 | 107.9° | 109.5° |
| C10 | C11 | H10 | 108.4° | 109.5° |
| C10 | C11 | H11 | 108.4° | 109.5° |
| C9 | C10 | H9 | 107.9° | 109.4° |
| C9 | C10 | H8 | 107.8° | 109.4° |
| C10 | C9 | H6 | 108.0° | 109.5° |
| C10 | C9 | H7 | 108.0° | 109.4° |
| H9 | C10 | H8 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.4° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H18 | C14 | H16 | 109.5° | 109.5° |
| H18 | C14 | H17 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H6 | C9 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C7 | F1 | F2 | 109.2° | 120.0° |
| F3 | C7 | F1 | C4 | 124.0° | 120.0° |
| F3 | C7 | F2 | C4 | 124.8° | 120.0° |
| F3 | C7 | C4 | C3 | 0.7° | 120.0° |
| F3 | C7 | C4 | C5 | 176.0° | 60.3° |
| F1 | C7 | F2 | C4 | 123.0° | 120.1° |
| F1 | C7 | C4 | C3 | 119.1° | 120.0° |
| F1 | C7 | C4 | C5 | 64.3° | 59.7° |
| F2 | C7 | C4 | C3 | 119.4° | 0.1° |
| F2 | C7 | C4 | C5 | 57.3° | 179.7° |
| C7 | C4 | C3 | C5 | 176.7° | 179.6° |
| C7 | C4 | C3 | C2 | 176.9° | 179.7° |
| C7 | C4 | C5 | C6 | 180.0° | 179.7° |
| C7 | C4 | C5 | H4 | 0.0° | 0.3° |
| C7 | C4 | C3 | H3 | 3.1° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.3° | 0.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C3 | C4 | C5 | H4 | 176.7° | 180.0° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 6.7° | 0.0° |
| C4 | C5 | C6 | C8 | 177.8° | 179.9° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 3.7° | 0.0° |
| C3 | C2 | C1 | H1 | 176.4° | 180.0° |
| C15 | C12 | C13 | C14 | 119.8° | 120.0° |
| C15 | C12 | C13 | N2 | 124.4° | 120.1° |
| C15 | C12 | C14 | N2 | 118.5° | 120.0° |
| C15 | C12 | N2 | C11 | 171.9° | 60.0° |
| C15 | C12 | C13 | H13 | 180.0° | 60.0° |
| C15 | C12 | C13 | H14 | 60.0° | 180.0° |
| C15 | C12 | C13 | H15 | 60.0° | 59.9° |
| C12 | C15 | H19 | H20 | 120.0° | 120.0° |
| C12 | C15 | H19 | H21 | 120.0° | 119.9° |
| C12 | C15 | H20 | H21 | 120.0° | 119.9° |
| C15 | C12 | C14 | H18 | 180.0° | 180.0° |
| C15 | C12 | C14 | H16 | 60.0° | 60.0° |
| C15 | C12 | C14 | H17 | 60.0° | 59.9° |
| C15 | C12 | N2 | H12 | 50.8° | 63.9° |
| C5 | C6 | C1 | C2 | 6.7° | 0.0° |
| C5 | C6 | C1 | C8 | 171.1° | 180.0° |
| C5 | C6 | C8 | N1 | 57.8° | 180.0° |
| C5 | C6 | C8 | O1 | 121.1° | 0.0° |
| C5 | C6 | C1 | H1 | 173.3° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C8 | 177.8° | 179.9° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C13 | C12 | C14 | N2 | 120.8° | 120.0° |
| C13 | C12 | N2 | C11 | 64.2° | 60.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.0° |
| C12 | C13 | H13 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | C12 | C15 | H19 | 180.0° | 59.9° |
| C13 | C12 | C15 | H20 | 60.0° | 180.0° |
| C13 | C12 | C15 | H21 | 60.0° | 60.0° |
| C13 | C12 | C14 | H18 | 59.3° | 60.0° |
| C13 | C12 | C14 | H16 | 60.8° | 180.0° |
| C13 | C12 | C14 | H17 | 179.3° | 60.0° |
| C13 | C12 | N2 | H12 | 174.7° | 176.0° |
| C14 | C12 | N2 | C11 | 55.2° | 180.0° |
| C14 | C12 | C13 | H13 | 60.2° | 180.0° |
| C14 | C12 | C13 | H14 | 179.8° | 60.0° |
| C14 | C12 | C13 | H15 | 59.8° | 60.1° |
| C14 | C12 | C15 | H19 | 59.2° | 60.0° |
| C14 | C12 | C15 | H20 | 60.8° | 60.0° |
| C14 | C12 | C15 | H21 | 179.2° | 180.0° |
| C12 | C14 | H18 | H16 | 120.0° | 120.1° |
| C12 | C14 | H18 | H17 | 120.0° | 120.0° |
| C12 | C14 | H16 | H17 | 120.0° | 120.0° |
| C14 | C12 | N2 | H12 | 65.9° | 56.1° |
| C12 | N2 | C11 | H12 | 121.0° | 123.9° |
| C12 | N2 | C11 | C10 | 156.6° | 180.0° |
| N2 | C12 | C13 | H13 | 55.6° | 60.0° |
| N2 | C12 | C13 | H14 | 64.4° | 59.9° |
| N2 | C12 | C13 | H15 | 175.6° | 180.0° |
| N2 | C12 | C15 | H19 | 54.8° | 180.0° |
| N2 | C12 | C15 | H20 | 174.9° | 60.0° |
| N2 | C12 | C15 | H21 | 65.2° | 60.0° |
| C12 | N2 | C11 | H10 | 36.0° | 60.0° |
| C12 | N2 | C11 | H11 | 82.8° | 60.1° |
| N2 | C12 | C14 | H18 | 61.5° | 60.0° |
| N2 | C12 | C14 | H16 | 178.5° | 60.1° |
| N2 | C12 | C14 | H17 | 58.5° | 180.0° |
| C1 | C6 | C8 | N1 | 113.3° | 0.0° |
| C1 | C6 | C8 | O1 | 67.7° | 180.0° |
| C1 | C6 | C5 | H4 | 173.4° | 180.0° |
| C6 | C1 | C2 | H2 | 176.3° | 180.0° |
| C6 | C8 | N1 | O1 | 178.9° | 180.0° |
| C6 | C8 | N1 | C9 | 179.5° | 180.0° |
| C6 | C8 | N1 | H5 | 0.5° | 0.3° |
| C8 | C6 | C5 | H4 | 2.3° | 0.0° |
| C8 | C6 | C1 | H1 | 2.2° | 0.0° |
| N2 | C11 | C10 | H10 | 120.6° | 120.0° |
| N2 | C11 | C10 | H11 | 120.6° | 120.0° |
| N2 | C11 | C10 | C9 | 65.4° | 180.0° |
| N2 | C11 | C10 | H9 | 55.5° | 60.0° |
| N2 | C11 | C10 | H8 | 173.7° | 60.1° |
| N2 | C11 | H10 | H11 | 118.1° | 120.0° |
| C8 | N1 | C9 | H5 | 180.0° | 179.7° |
| C8 | N1 | C9 | C10 | 95.5° | 179.7° |
| C8 | N1 | C9 | H6 | 143.6° | 60.3° |
| C8 | N1 | C9 | H7 | 25.3° | 59.8° |
| O1 | C8 | N1 | C9 | 0.6° | 0.0° |
| O1 | C8 | N1 | H5 | 179.4° | 179.8° |
| N1 | C9 | C10 | C11 | 63.2° | 180.0° |
| N1 | C9 | C10 | H6 | 120.9° | 120.0° |
| N1 | C9 | C10 | H7 | 120.9° | 120.0° |
| N1 | C9 | C10 | H9 | 57.8° | 60.0° |
| N1 | C9 | C10 | H8 | 175.9° | 60.1° |
| N1 | C9 | H6 | H7 | 117.4° | 120.1° |
| C11 | C10 | C9 | H9 | 120.9° | 120.0° |
| C11 | C10 | C9 | H8 | 120.9° | 119.9° |
| C11 | C10 | H9 | H8 | 117.1° | 120.0° |
| C10 | C11 | H10 | H11 | 118.1° | 120.0° |
| C11 | C10 | C9 | H6 | 57.7° | 60.0° |
| C11 | C10 | C9 | H7 | 175.9° | 60.0° |
| C10 | C11 | N2 | H12 | 82.4° | 56.1° |
| C10 | C9 | N1 | H5 | 84.5° | 0.0° |
| C9 | C10 | H9 | H8 | 117.1° | 120.0° |
| C9 | C10 | C11 | H10 | 174.0° | 60.0° |
| C9 | C10 | C11 | H11 | 55.2° | 60.0° |
| C10 | C9 | H6 | H7 | 117.3° | 120.0° |
| H5 | N1 | C9 | H6 | 36.4° | 119.9° |
| H5 | N1 | C9 | H7 | 154.7° | 120.0° |
| H9 | C10 | C11 | H10 | 65.1° | 59.9° |
| H9 | C10 | C11 | H11 | 176.2° | 180.0° |
| H9 | C10 | C9 | H6 | 178.6° | 60.0° |
| H9 | C10 | C9 | H7 | 63.1° | 180.0° |
| H8 | C10 | C11 | H10 | 53.1° | 180.0° |
| H8 | C10 | C11 | H11 | 65.7° | 59.9° |
| H8 | C10 | C9 | H6 | 63.2° | 180.0° |
| H8 | C10 | C9 | H7 | 55.0° | 59.9° |
| H13 | C13 | H14 | H15 | 120.0° | 120.1° |
| H19 | C15 | H20 | H21 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 3.7° | 0.1° |
| H10 | C11 | N2 | H12 | 157.0° | 63.9° |
| H11 | C11 | N2 | H12 | 38.3° | 176.0° |
| H18 | C14 | H16 | H17 | 120.0° | 119.9° |
| H2 | C2 | C3 | H3 | 0.5° | 0.1° |
