KF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C9 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | P11 | sing | 1.82Å | 1.81Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| O12 | P11 | doub | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| P11 | O13 | sing | 1.61Å | 1.50Å | |
| P11 | C14 | sing | 1.82Å | 1.83Å | |
| C14 | CA | sing | 1.53Å | 1.52Å | |
| C16 | CA | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| C21 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| N10 | H24 | sing | 1.01Å | 1.00Å | |
| N10 | H25 | sing | 1.01Å | 1.00Å | |
| O13 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C9 | C8 | 113.2° | 109.5° |
| N10 | C9 | P11 | 106.0° | 109.5° |
| N10 | C9 | H23 | 110.5° | 109.5° |
| C9 | N10 | H24 | 109.5° | 111.0° |
| C9 | N10 | H25 | 109.5° | 111.0° |
| C2 | C1 | C8 | 112.2° | 109.5° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C1 | C2 | C7 | 120.3° | 120.0° |
| C2 | C1 | H1 | 108.8° | 109.4° |
| C2 | C1 | H2 | 108.8° | 109.5° |
| C1 | C8 | C9 | 111.5° | 109.4° |
| C8 | C1 | H1 | 108.8° | 109.5° |
| C8 | C1 | H2 | 108.8° | 109.6° |
| C1 | C8 | H21 | 109.0° | 109.5° |
| C1 | C8 | H22 | 108.9° | 109.5° |
| C8 | C9 | P11 | 110.2° | 109.5° |
| C9 | C8 | H21 | 109.0° | 109.4° |
| C9 | C8 | H22 | 109.0° | 109.5° |
| C8 | C9 | H23 | 109.9° | 109.4° |
| C9 | P11 | O12 | 107.7° | 109.5° |
| C9 | P11 | O13 | 107.9° | 109.5° |
| C9 | P11 | C14 | 107.7° | 109.5° |
| P11 | C9 | H23 | 106.8° | 109.5° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C3 | C2 | C7 | 119.0° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | H17 | 119.5° | 119.9° |
| C2 | C7 | C6 | 121.4° | 120.0° |
| C2 | C7 | H20 | 119.3° | 120.0° |
| O12 | P11 | O13 | 111.2° | 109.5° |
| O12 | P11 | C14 | 113.3° | 109.4° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C5 | C4 | H17 | 119.5° | 120.0° |
| C4 | C5 | H18 | 120.4° | 120.0° |
| C7 | C6 | C5 | 119.6° | 120.0° |
| C7 | C6 | H19 | 120.2° | 120.0° |
| C6 | C7 | H20 | 119.3° | 120.0° |
| C6 | C5 | H18 | 120.3° | 120.0° |
| C5 | C6 | H19 | 120.2° | 120.0° |
| O13 | P11 | C14 | 108.9° | 109.4° |
| P11 | O13 | H27 | 109.5° | 114.0° |
| P11 | C14 | CA | 109.8° | 109.5° |
| P11 | C14 | H6 | 109.4° | 109.5° |
| P11 | C14 | H7 | 109.4° | 109.5° |
| C14 | CA | C16 | 107.8° | 109.5° |
| C14 | CA | C | 104.8° | 109.5° |
| C14 | CA | H4 | 111.3° | 109.5° |
| CA | C14 | H6 | 109.4° | 109.4° |
| CA | C14 | H7 | 109.4° | 109.4° |
| CA | C16 | C18 | 113.7° | 109.5° |
| C16 | CA | C | 110.1° | 109.5° |
| C16 | CA | H4 | 111.0° | 109.5° |
| CA | C16 | H8 | 108.4° | 109.5° |
| CA | C16 | H9 | 108.4° | 109.4° |
| C16 | C18 | C21 | 111.8° | 109.5° |
| C16 | C18 | C19 | 111.0° | 109.5° |
| C18 | C16 | H8 | 108.4° | 109.5° |
| C18 | C16 | H9 | 108.4° | 109.5° |
| C16 | C18 | H10 | 108.8° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| C | CA | H4 | 111.6° | 109.4° |
| CA | C | H5 | 120.0° | 120.0° |
| C21 | C18 | C19 | 107.5° | 109.5° |
| C21 | C18 | H10 | 108.9° | 109.5° |
| C18 | C21 | H14 | 109.5° | 109.5° |
| C18 | C21 | H15 | 109.5° | 109.5° |
| C18 | C21 | H16 | 109.5° | 109.5° |
| C19 | C18 | H10 | 108.8° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.4° | 109.4° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| O | C | H5 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.4° |
| H14 | C21 | H16 | 109.4° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H21 | C8 | H22 | 109.5° | 109.5° |
| H24 | N10 | H25 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C9 | C8 | C1 | 65.8° | 180.0° |
| N10 | C9 | C8 | P11 | 118.5° | 120.0° |
| N10 | C9 | C8 | H23 | 124.0° | 120.0° |
| N10 | C9 | P11 | H23 | 117.8° | 120.0° |
| N10 | C9 | P11 | O12 | 76.8° | 60.0° |
| N10 | C9 | P11 | O13 | 43.4° | 180.0° |
| N10 | C9 | P11 | C14 | 160.7° | 60.0° |
| N10 | C9 | C8 | H21 | 173.9° | 60.0° |
| N10 | C9 | C8 | H22 | 54.4° | 60.0° |
| C9 | N10 | H24 | H25 | 120.0° | 123.9° |
| C2 | C1 | C8 | H1 | 120.4° | 119.9° |
| C2 | C1 | C8 | H2 | 120.4° | 120.1° |
| C2 | C1 | C8 | C9 | 172.6° | 180.0° |
| C1 | C2 | C3 | C7 | 179.2° | 179.7° |
| C1 | C2 | C3 | C4 | 179.1° | 179.7° |
| C1 | C2 | C7 | C6 | 179.9° | 179.6° |
| C2 | C1 | H1 | H2 | 118.8° | 120.0° |
| C1 | C2 | C3 | H3 | 0.9° | 0.3° |
| C1 | C2 | C7 | H20 | 0.1° | 0.0° |
| C2 | C1 | C8 | H21 | 52.3° | 60.1° |
| C2 | C1 | C8 | H22 | 67.1° | 60.0° |
| C1 | C8 | C9 | H21 | 120.3° | 119.9° |
| C1 | C8 | C9 | H22 | 120.3° | 120.0° |
| C1 | C8 | C9 | P11 | 175.6° | 60.0° |
| C8 | C1 | C2 | C3 | 92.9° | 89.6° |
| C8 | C1 | C2 | C7 | 88.0° | 90.1° |
| C8 | C1 | H1 | H2 | 118.8° | 120.1° |
| C1 | C8 | H21 | H22 | 119.1° | 120.1° |
| C1 | C8 | C9 | H23 | 58.2° | 60.1° |
| C8 | C9 | P11 | H23 | 119.4° | 120.0° |
| C8 | C9 | P11 | O12 | 160.4° | 60.0° |
| C8 | C9 | P11 | O13 | 79.4° | 60.0° |
| C8 | C9 | P11 | C14 | 37.9° | 180.0° |
| C9 | C8 | C1 | H1 | 67.0° | 60.1° |
| C9 | C8 | C1 | H2 | 52.2° | 60.0° |
| C9 | C8 | H21 | H22 | 119.1° | 120.0° |
| C8 | C9 | N10 | H24 | 180.0° | 60.0° |
| C8 | C9 | N10 | H25 | 60.0° | 63.9° |
| C9 | P11 | O12 | O13 | 118.0° | 120.1° |
| C9 | P11 | O12 | C14 | 119.0° | 120.0° |
| C9 | P11 | O13 | C14 | 116.6° | 120.0° |
| C9 | P11 | C14 | CA | 173.2° | 175.0° |
| C9 | P11 | C14 | H6 | 66.7° | 65.0° |
| C9 | P11 | C14 | H7 | 53.2° | 55.0° |
| P11 | C9 | C8 | H21 | 55.3° | 60.0° |
| P11 | C9 | C8 | H22 | 64.1° | 180.0° |
| P11 | C9 | N10 | H24 | 59.1° | 60.0° |
| P11 | C9 | N10 | H25 | 60.9° | 176.1° |
| C9 | P11 | O13 | H27 | 117.9° | 59.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | C7 | C6 | 0.9° | 0.1° |
| C3 | C2 | C1 | H1 | 146.7° | 30.3° |
| C3 | C2 | C1 | H2 | 27.5° | 150.2° |
| C2 | C3 | C4 | H17 | 179.2° | 179.9° |
| C3 | C2 | C7 | H20 | 179.1° | 179.7° |
| C4 | C3 | C2 | C7 | 0.1° | 0.0° |
| C3 | C4 | C5 | H17 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H18 | 179.5° | 180.0° |
| C2 | C7 | C6 | H20 | 180.0° | 179.6° |
| C2 | C7 | C6 | C5 | 1.2° | 0.1° |
| C7 | C2 | C1 | H1 | 32.4° | 150.0° |
| C7 | C2 | C1 | H2 | 151.6° | 30.1° |
| C7 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C7 | C6 | H19 | 178.8° | 180.0° |
| O12 | P11 | O13 | C14 | 125.5° | 119.9° |
| O12 | P11 | C14 | CA | 67.7° | 55.0° |
| O12 | P11 | C14 | H6 | 52.3° | 175.0° |
| O12 | P11 | C14 | H7 | 172.2° | 65.0° |
| O12 | P11 | C9 | H23 | 41.1° | 180.0° |
| O12 | P11 | O13 | H27 | 0.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| C4 | C5 | C6 | H18 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.2° | 180.0° |
| C4 | C5 | C6 | H19 | 179.5° | 180.0° |
| C7 | C6 | C5 | H19 | 180.0° | 179.9° |
| C7 | C6 | C5 | H18 | 179.6° | 179.9° |
| C6 | C5 | C4 | H17 | 179.5° | 180.0° |
| C5 | C6 | C7 | H20 | 178.8° | 179.7° |
| O13 | P11 | C14 | CA | 56.5° | 65.0° |
| O13 | P11 | C14 | H6 | 176.6° | 55.0° |
| O13 | P11 | C14 | H7 | 63.5° | 175.1° |
| O13 | P11 | C9 | H23 | 161.2° | 59.9° |
| P11 | C14 | CA | H6 | 120.1° | 120.0° |
| P11 | C14 | CA | H7 | 120.0° | 120.0° |
| P11 | C14 | CA | C16 | 94.0° | 165.0° |
| P11 | C14 | CA | C | 148.7° | 75.0° |
| P11 | C14 | CA | H4 | 28.0° | 45.0° |
| P11 | C14 | H6 | H7 | 119.8° | 120.0° |
| C14 | P11 | C9 | H23 | 81.4° | 60.0° |
| C14 | P11 | O13 | H27 | 125.5° | 60.1° |
| C14 | CA | C16 | C | 113.8° | 120.0° |
| C14 | CA | C16 | H4 | 122.2° | 120.0° |
| C14 | CA | C16 | C18 | 177.7° | 175.0° |
| C14 | CA | C | H4 | 120.6° | 119.9° |
| C14 | CA | C | O | 69.9° | 120.0° |
| C14 | CA | C | H5 | 110.1° | 60.0° |
| CA | C14 | H6 | H7 | 119.8° | 119.9° |
| C14 | CA | C16 | H8 | 61.7° | 55.0° |
| C14 | CA | C16 | H9 | 57.1° | 65.0° |
| CA | C16 | C18 | H8 | 120.6° | 120.0° |
| CA | C16 | C18 | H9 | 120.6° | 120.0° |
| C16 | CA | C | H4 | 123.7° | 120.0° |
| CA | C16 | C18 | C21 | 104.0° | 175.0° |
| CA | C16 | C18 | C19 | 136.0° | 65.0° |
| C16 | CA | C | O | 45.8° | 119.9° |
| C16 | CA | C | H5 | 134.2° | 60.0° |
| C16 | CA | C14 | H6 | 26.0° | 75.0° |
| C16 | CA | C14 | H7 | 145.9° | 45.0° |
| CA | C16 | H8 | H9 | 118.1° | 120.0° |
| CA | C16 | C18 | H10 | 16.2° | 55.0° |
| C18 | C16 | CA | C | 63.9° | 65.0° |
| C16 | C18 | C21 | C19 | 122.1° | 120.0° |
| C16 | C18 | C21 | H10 | 120.2° | 120.0° |
| C16 | C18 | C19 | H10 | 119.7° | 120.0° |
| C18 | C16 | CA | H4 | 60.1° | 55.0° |
| C18 | C16 | H8 | H9 | 118.1° | 120.0° |
| C16 | C18 | C19 | H11 | 180.0° | 60.0° |
| C16 | C18 | C19 | H12 | 60.0° | 180.0° |
| C16 | C18 | C19 | H13 | 60.0° | 60.0° |
| C16 | C18 | C21 | H14 | 180.0° | 60.0° |
| C16 | C18 | C21 | H15 | 60.0° | 180.0° |
| C16 | C18 | C21 | H16 | 60.0° | 60.0° |
| CA | C | O | H5 | 180.0° | 180.0° |
| C | CA | C14 | H6 | 91.2° | 45.1° |
| C | CA | C14 | H7 | 28.7° | 165.0° |
| C | CA | C16 | H8 | 175.5° | 175.0° |
| C | CA | C16 | H9 | 56.7° | 55.0° |
| C21 | C18 | C19 | H10 | 117.8° | 120.0° |
| C21 | C18 | C16 | H8 | 16.6° | 65.0° |
| C21 | C18 | C16 | H9 | 135.3° | 55.0° |
| C21 | C18 | C19 | H11 | 57.5° | 60.0° |
| C21 | C18 | C19 | H12 | 62.5° | 60.0° |
| C21 | C18 | C19 | H13 | 177.5° | 180.0° |
| C18 | C21 | H14 | H15 | 120.0° | 120.0° |
| C18 | C21 | H14 | H16 | 120.0° | 120.0° |
| C18 | C21 | H15 | H16 | 120.0° | 120.1° |
| C19 | C18 | C16 | H8 | 103.4° | 55.0° |
| C19 | C18 | C16 | H9 | 15.3° | 175.0° |
| C18 | C19 | H11 | H12 | 120.0° | 119.9° |
| C18 | C19 | H11 | H13 | 120.0° | 120.0° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C19 | C18 | C21 | H14 | 57.9° | 180.0° |
| C19 | C18 | C21 | H15 | 177.9° | 60.0° |
| C19 | C18 | C21 | H16 | 62.1° | 60.0° |
| O | C | CA | H4 | 169.5° | 0.1° |
| H1 | C1 | C8 | H21 | 172.7° | NaN° |
| H1 | C1 | C8 | H22 | 53.3° | 59.9° |
| H2 | C1 | C8 | H21 | 68.1° | 59.9° |
| H2 | C1 | C8 | H22 | 172.5° | 180.0° |
| H3 | C3 | C4 | H17 | 0.8° | 0.1° |
| H4 | CA | C | H5 | 10.5° | 180.0° |
| H4 | CA | C14 | H6 | 148.0° | 165.0° |
| H4 | CA | C14 | H7 | 92.1° | 75.1° |
| H4 | CA | C16 | H8 | 60.5° | 65.0° |
| H4 | CA | C16 | H9 | 179.3° | 175.0° |
| H8 | C16 | C18 | H10 | 136.8° | 175.0° |
| H9 | C16 | C18 | H10 | 104.4° | 65.0° |
| H10 | C18 | C19 | H11 | 60.3° | 180.0° |
| H10 | C18 | C19 | H12 | 179.7° | 60.0° |
| H10 | C18 | C19 | H13 | 59.7° | 60.0° |
| H10 | C18 | C21 | H14 | 59.8° | 60.0° |
| H10 | C18 | C21 | H15 | 60.2° | 60.0° |
| H10 | C18 | C21 | H16 | 179.8° | 180.0° |
| H11 | C19 | H12 | H13 | 120.0° | 120.0° |
| H14 | C21 | H15 | H16 | 120.0° | 120.0° |
| H17 | C4 | C5 | H18 | 0.5° | 0.0° |
| H18 | C5 | C6 | H19 | 0.5° | 0.0° |
| H19 | C6 | C7 | H20 | 1.2° | 0.4° |
| H21 | C8 | C9 | H23 | 62.1° | 180.0° |
| H22 | C8 | C9 | H23 | 178.4° | 60.0° |
| H23 | C9 | N10 | H24 | 56.3° | 179.9° |
| H23 | C9 | N10 | H25 | 176.3° | 56.0° |
