FYH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F4 | C2 | sing | 1.40Å | 1.35Å | |
| O5 | C2 | sing | 1.43Å | 1.44Å | |
| O5 | C6 | sing | 1.36Å | 1.40Å | |
| C2 | F3 | sing | 1.40Å | 1.35Å | |
| C2 | F1 | sing | 1.40Å | 1.35Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | N16 | sing | 1.40Å | 1.42Å | |
| O19 | C18 | doub | 1.22Å | 1.23Å | |
| N16 | C18 | sing | 1.35Å | 1.37Å | |
| C18 | C20 | sing | 1.48Å | 1.52Å | |
| C21 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C23 | sing | 1.51Å | 1.55Å | |
| C30 | N33 | sing | 1.47Å | 1.49Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| N33 | C44 | sing | 1.47Å | 1.49Å | |
| N33 | C34 | sing | 1.47Å | 1.50Å | |
| C24 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C41 | sing | 1.53Å | 1.56Å | |
| C34 | C37 | sing | 1.53Å | 1.55Å | |
| C41 | O40 | sing | 1.43Å | 1.45Å | |
| C37 | O40 | sing | 1.43Å | 1.44Å | |
| C41 | H1 | sing | 1.09Å | 1.10Å | |
| C41 | H2 | sing | 1.09Å | 1.10Å | |
| C44 | H3 | sing | 1.09Å | 1.10Å | |
| C44 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F4 | C2 | O5 | 108.4° | 109.5° |
| F4 | C2 | F3 | 106.3° | 109.5° |
| F4 | C2 | F1 | 110.5° | 109.5° |
| C2 | O5 | C6 | 122.5° | 117.0° |
| O5 | C2 | F3 | 113.6° | 109.5° |
| O5 | C2 | F1 | 110.4° | 109.4° |
| O5 | C6 | C7 | 117.9° | 120.0° |
| O5 | C6 | C14 | 123.6° | 120.0° |
| F3 | C2 | F1 | 107.7° | 109.5° |
| C7 | C6 | C14 | 118.5° | 120.0° |
| C6 | C7 | C9 | 121.1° | 120.0° |
| C6 | C7 | H13 | 119.5° | 120.0° |
| C6 | C14 | C12 | 119.7° | 120.1° |
| C6 | C14 | H6 | 120.1° | 119.9° |
| C7 | C9 | C11 | 121.3° | 120.0° |
| C9 | C7 | H13 | 119.4° | 120.0° |
| C7 | C9 | H14 | 119.3° | 120.0° |
| C14 | C12 | C11 | 121.7° | 120.0° |
| C14 | C12 | H5 | 119.1° | 120.0° |
| C12 | C14 | H6 | 120.2° | 120.0° |
| C9 | C11 | C12 | 117.7° | 120.0° |
| C9 | C11 | N16 | 121.1° | 120.0° |
| C11 | C9 | H14 | 119.3° | 120.0° |
| C12 | C11 | N16 | 121.0° | 120.0° |
| C11 | C12 | H5 | 119.2° | 120.0° |
| C11 | N16 | C18 | 127.0° | 120.0° |
| C11 | N16 | H15 | 116.5° | 120.0° |
| O19 | C18 | N16 | 123.5° | 120.0° |
| O19 | C18 | C20 | 114.6° | 120.0° |
| N16 | C18 | C20 | 121.8° | 120.0° |
| C18 | N16 | H15 | 116.5° | 120.0° |
| C18 | C20 | C21 | 121.6° | 120.1° |
| C18 | C20 | C28 | 119.4° | 120.2° |
| C20 | C21 | C23 | 121.0° | 119.9° |
| C21 | C20 | C28 | 119.0° | 119.7° |
| C20 | C21 | H7 | 119.5° | 120.0° |
| C21 | C23 | C30 | 120.0° | 120.0° |
| C21 | C23 | C24 | 118.3° | 120.1° |
| C23 | C21 | H7 | 119.5° | 120.1° |
| C20 | C28 | C26 | 120.8° | 119.9° |
| C20 | C28 | H10 | 119.6° | 120.0° |
| C23 | C30 | N33 | 118.2° | 109.5° |
| C30 | C23 | C24 | 121.7° | 119.9° |
| C23 | C30 | H11 | 107.2° | 109.5° |
| C23 | C30 | H12 | 107.3° | 109.5° |
| C30 | N33 | C44 | 114.7° | 111.0° |
| C30 | N33 | C34 | 117.3° | 111.0° |
| N33 | C30 | H11 | 107.2° | 109.4° |
| N33 | C30 | H12 | 107.2° | 109.4° |
| C23 | C24 | C26 | 121.4° | 120.3° |
| C23 | C24 | H8 | 119.3° | 119.8° |
| C28 | C26 | C24 | 119.5° | 120.2° |
| C28 | C26 | H9 | 120.2° | 120.0° |
| C26 | C28 | H10 | 119.6° | 120.1° |
| C44 | N33 | C34 | 114.6° | 110.8° |
| N33 | C44 | C41 | 111.3° | 109.3° |
| N33 | C44 | H3 | 109.0° | 109.5° |
| N33 | C44 | H4 | 109.0° | 109.5° |
| N33 | C34 | C37 | 112.2° | 109.2° |
| N33 | C34 | H17 | 108.8° | 109.5° |
| N33 | C34 | H18 | 108.8° | 109.5° |
| C26 | C24 | H8 | 119.3° | 119.9° |
| C24 | C26 | H9 | 120.2° | 119.8° |
| C44 | C41 | O40 | 111.4° | 109.3° |
| C44 | C41 | H1 | 109.0° | 109.5° |
| C44 | C41 | H2 | 109.0° | 109.5° |
| C41 | C44 | H3 | 109.0° | 109.5° |
| C41 | C44 | H4 | 109.0° | 109.5° |
| C34 | C37 | O40 | 108.8° | 109.2° |
| C37 | C34 | H17 | 108.8° | 109.5° |
| C37 | C34 | H18 | 108.8° | 109.5° |
| C34 | C37 | H19 | 109.6° | 109.6° |
| C34 | C37 | H20 | 109.6° | 109.5° |
| C41 | O40 | C37 | 113.0° | 113.7° |
| O40 | C41 | H1 | 109.0° | 109.5° |
| O40 | C41 | H2 | 109.0° | 109.5° |
| O40 | C37 | H19 | 109.6° | 109.5° |
| O40 | C37 | H20 | 109.6° | 109.5° |
| H1 | C41 | H2 | 109.5° | 109.5° |
| H3 | C44 | H4 | 109.4° | 109.5° |
| H11 | C30 | H12 | 109.5° | 109.5° |
| H17 | C34 | H18 | 109.5° | 109.6° |
| H19 | C37 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F4 | C2 | O5 | F3 | 117.9° | 120.0° |
| F4 | C2 | O5 | F1 | 121.1° | 120.0° |
| F4 | C2 | O5 | C6 | 173.2° | 60.0° |
| F4 | C2 | F3 | F1 | 118.4° | 120.0° |
| O5 | C2 | F3 | F1 | 122.5° | 120.0° |
| C2 | O5 | C6 | C7 | 90.3° | 180.0° |
| C2 | O5 | C6 | C14 | 89.7° | 0.0° |
| C6 | O5 | C2 | F3 | 68.9° | 60.0° |
| C6 | O5 | C2 | F1 | 52.1° | 180.0° |
| O5 | C6 | C7 | C14 | 180.0° | 180.0° |
| O5 | C6 | C7 | C9 | 179.9° | 179.7° |
| O5 | C6 | C14 | C12 | 180.0° | 179.9° |
| O5 | C6 | C14 | H6 | 0.0° | 0.0° |
| O5 | C6 | C7 | H13 | 0.2° | 0.1° |
| C6 | C7 | C9 | H13 | 180.0° | 179.6° |
| C7 | C6 | C14 | C12 | 0.0° | 0.0° |
| C6 | C7 | C9 | C11 | 0.9° | 0.5° |
| C7 | C6 | C14 | H6 | 180.0° | 179.9° |
| C6 | C7 | C9 | H14 | 179.0° | 179.9° |
| C14 | C6 | C7 | C9 | 0.2° | 0.3° |
| C6 | C14 | C12 | H6 | 180.0° | 179.9° |
| C6 | C14 | C12 | C11 | 1.3° | 0.1° |
| C6 | C14 | C12 | H5 | 178.7° | 180.0° |
| C14 | C6 | C7 | H13 | 179.8° | 179.9° |
| C7 | C9 | C11 | H14 | 180.0° | 179.5° |
| C7 | C9 | C11 | C12 | 2.1° | 0.5° |
| C7 | C9 | C11 | N16 | 177.6° | 179.7° |
| C14 | C12 | C11 | C9 | 2.3° | 0.2° |
| C14 | C12 | C11 | H5 | 180.0° | 179.9° |
| C14 | C12 | C11 | N16 | 177.8° | 179.9° |
| C9 | C11 | C12 | N16 | 175.5° | 179.8° |
| C9 | C11 | N16 | C18 | 2.0° | 146.9° |
| C9 | C11 | C12 | H5 | 177.7° | 179.7° |
| C11 | C9 | C7 | H13 | 179.1° | 179.8° |
| C9 | C11 | N16 | H15 | 178.0° | 33.0° |
| C12 | C11 | N16 | C18 | 177.3° | 33.3° |
| C11 | C12 | C14 | H6 | 178.7° | 180.0° |
| C12 | C11 | C9 | H14 | 177.9° | 180.0° |
| C12 | C11 | N16 | H15 | 2.7° | 146.7° |
| C11 | N16 | C18 | O19 | 2.3° | 5.3° |
| C11 | N16 | C18 | H15 | 180.0° | 180.0° |
| C11 | N16 | C18 | C20 | 176.6° | 174.7° |
| N16 | C11 | C12 | H5 | 2.2° | 0.0° |
| N16 | C11 | C9 | H14 | 2.4° | 0.2° |
| O19 | C18 | N16 | C20 | 178.9° | 179.9° |
| O19 | C18 | C20 | C21 | 42.3° | 0.2° |
| O19 | C18 | C20 | C28 | 135.5° | 180.0° |
| O19 | C18 | N16 | H15 | 177.7° | 174.6° |
| N16 | C18 | C20 | C21 | 138.8° | 179.7° |
| N16 | C18 | C20 | C28 | 43.5° | 0.1° |
| C18 | C20 | C21 | C28 | 177.7° | 179.8° |
| C18 | C20 | C21 | C23 | 178.9° | 180.0° |
| C18 | C20 | C28 | C26 | 179.0° | 179.8° |
| C18 | C20 | C21 | H7 | 1.1° | 0.0° |
| C18 | C20 | C28 | H10 | 0.9° | 0.1° |
| C20 | C18 | N16 | H15 | 3.4° | 5.3° |
| C20 | C21 | C23 | H7 | 180.0° | 180.0° |
| C20 | C21 | C23 | C30 | 179.4° | 180.0° |
| C20 | C21 | C23 | C24 | 0.5° | 0.0° |
| C21 | C20 | C28 | C26 | 1.3° | 0.5° |
| C21 | C20 | C28 | H10 | 178.7° | 179.7° |
| C23 | C21 | C20 | C28 | 1.1° | 0.2° |
| C21 | C23 | C30 | C24 | 179.9° | 180.0° |
| C21 | C23 | C30 | N33 | 174.3° | 90.0° |
| C21 | C23 | C24 | C26 | 0.0° | 0.0° |
| C21 | C23 | C24 | H8 | 180.0° | 180.0° |
| C21 | C23 | C30 | H11 | 64.5° | 150.0° |
| C21 | C23 | C30 | H12 | 53.1° | 30.0° |
| C20 | C28 | C26 | H10 | 180.0° | 179.8° |
| C20 | C28 | C26 | C24 | 0.8° | 0.5° |
| C28 | C20 | C21 | H7 | 178.9° | 179.8° |
| C20 | C28 | C26 | H9 | 179.2° | 179.8° |
| C23 | C30 | N33 | H11 | 121.2° | 120.0° |
| C23 | C30 | N33 | H12 | 121.3° | 120.0° |
| C23 | C30 | N33 | C44 | 120.8° | 170.0° |
| C23 | C30 | N33 | C34 | 18.2° | 66.4° |
| C30 | C23 | C24 | C26 | 179.9° | 179.9° |
| C30 | C23 | C21 | H7 | 0.6° | 0.0° |
| C30 | C23 | C24 | H8 | 0.1° | 0.1° |
| C23 | C30 | H11 | H12 | 116.1° | 120.1° |
| N33 | C30 | C23 | C24 | 5.6° | 90.0° |
| C30 | N33 | C44 | C34 | 140.1° | 123.8° |
| C30 | N33 | C44 | C41 | 174.7° | 177.6° |
| C30 | N33 | C34 | C37 | 172.8° | 177.6° |
| C30 | N33 | C44 | H3 | 65.0° | 57.6° |
| C30 | N33 | C44 | H4 | 54.4° | 62.5° |
| N33 | C30 | H11 | H12 | 116.0° | 119.9° |
| C30 | N33 | C34 | H17 | 52.4° | 57.7° |
| C30 | N33 | C34 | H18 | 66.8° | 62.5° |
| C23 | C24 | C26 | C28 | 0.1° | 0.3° |
| C23 | C24 | C26 | H8 | 180.0° | 180.0° |
| C24 | C23 | C21 | H7 | 179.5° | 180.0° |
| C23 | C24 | C26 | H9 | 179.9° | 180.0° |
| C24 | C23 | C30 | H11 | 115.6° | 29.9° |
| C24 | C23 | C30 | H12 | 126.8° | 150.0° |
| C28 | C26 | C24 | H9 | 180.0° | 179.8° |
| C28 | C26 | C24 | H8 | 179.9° | 179.7° |
| N33 | C44 | C41 | H3 | 120.3° | 120.0° |
| N33 | C44 | C41 | H4 | 120.3° | 119.9° |
| C44 | N33 | C34 | C37 | 48.1° | 58.6° |
| N33 | C44 | C41 | O40 | 49.7° | 56.8° |
| N33 | C44 | C41 | H1 | 170.0° | 176.8° |
| N33 | C44 | C41 | H2 | 70.6° | 63.1° |
| N33 | C44 | H3 | H4 | 119.2° | 120.1° |
| C44 | N33 | C30 | H11 | 0.4° | 70.0° |
| C44 | N33 | C30 | H12 | 117.9° | 50.0° |
| C44 | N33 | C34 | H17 | 168.5° | 178.5° |
| C44 | N33 | C34 | H18 | 72.3° | 61.3° |
| C34 | N33 | C44 | C41 | 45.2° | 58.6° |
| N33 | C34 | C37 | H17 | 120.4° | 119.9° |
| N33 | C34 | C37 | H18 | 120.4° | 119.9° |
| N33 | C34 | C37 | O40 | 54.1° | 56.9° |
| C34 | N33 | C44 | H3 | 75.1° | 178.6° |
| C34 | N33 | C44 | H4 | 165.5° | 61.3° |
| C34 | N33 | C30 | H11 | 139.5° | 53.7° |
| C34 | N33 | C30 | H12 | 103.0° | 173.6° |
| N33 | C34 | H17 | H18 | 118.8° | 120.2° |
| N33 | C34 | C37 | H19 | 65.8° | 63.1° |
| N33 | C34 | C37 | H20 | 174.0° | 176.8° |
| C24 | C26 | C28 | H10 | 179.2° | 179.7° |
| C44 | C41 | O40 | H1 | 120.3° | 120.0° |
| C44 | C41 | O40 | H2 | 120.3° | 120.0° |
| C44 | C41 | O40 | C37 | 59.9° | 58.7° |
| C44 | C41 | H1 | H2 | 119.1° | 120.1° |
| C41 | C44 | H3 | H4 | 119.2° | 120.1° |
| C34 | C37 | O40 | C41 | 61.2° | 58.7° |
| C34 | C37 | O40 | H19 | 119.9° | 120.0° |
| C34 | C37 | O40 | H20 | 119.9° | 119.9° |
| C37 | C34 | H17 | H18 | 118.8° | 120.1° |
| C34 | C37 | H19 | H20 | 120.3° | 120.2° |
| O40 | C41 | H1 | H2 | 119.1° | 120.1° |
| O40 | C41 | C44 | H3 | 70.6° | 176.8° |
| O40 | C41 | C44 | H4 | 170.0° | 63.1° |
| C41 | O40 | C37 | H19 | 58.7° | 61.3° |
| C41 | O40 | C37 | H20 | 178.9° | 178.6° |
| C37 | O40 | C41 | H1 | 179.8° | 178.6° |
| C37 | O40 | C41 | H2 | 60.3° | 61.3° |
| O40 | C37 | C34 | H17 | 174.5° | 176.7° |
| O40 | C37 | C34 | H18 | 66.3° | 63.1° |
| O40 | C37 | H19 | H20 | 120.3° | 120.1° |
| H1 | C41 | C44 | H3 | 49.7° | 63.2° |
| H1 | C41 | C44 | H4 | 69.7° | 56.8° |
| H2 | C41 | C44 | H3 | 169.1° | 56.8° |
| H2 | C41 | C44 | H4 | 49.7° | 176.9° |
| H5 | C12 | C14 | H6 | 1.3° | 0.1° |
| H8 | C24 | C26 | H9 | 0.1° | 0.0° |
| H9 | C26 | C28 | H10 | 0.8° | 0.1° |
| H13 | C7 | C9 | H14 | 1.0° | 0.3° |
| H17 | C34 | C37 | H19 | 54.5° | 56.8° |
| H17 | C34 | C37 | H20 | 65.7° | 63.4° |
| H18 | C34 | C37 | H19 | 173.8° | 177.0° |
| H18 | C34 | C37 | H20 | 53.6° | 56.8° |
