FYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F4 | C2 | sing | 1.40Å | 1.36Å | |
| O5 | C2 | sing | 1.43Å | 1.43Å | |
| O5 | C6 | sing | 1.36Å | 1.40Å | |
| C2 | F3 | sing | 1.40Å | 1.37Å | |
| C2 | F1 | sing | 1.40Å | 1.35Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | N16 | sing | 1.40Å | 1.40Å | |
| O19 | C18 | doub | 1.22Å | 1.22Å | |
| N16 | C18 | sing | 1.35Å | 1.36Å | |
| C18 | C20 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | N23 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| N23 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.43Å | Aromatic |
| C24 | N37 | sing | 1.38Å | 1.37Å | |
| C25 | C28 | sing | 1.48Å | 1.50Å | |
| C38 | N37 | sing | 1.49Å | 1.47Å | |
| C38 | C41 | sing | 1.54Å | 1.54Å | |
| N37 | C46 | sing | 1.48Å | 1.46Å | |
| C28 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | N34 | sing | 1.32Å | 1.36Å | Aromatic |
| C29 | N31 | doub | 1.32Å | 1.36Å | Aromatic |
| C46 | C43 | sing | 1.54Å | 1.55Å | |
| C41 | C43 | sing | 1.54Å | 1.55Å | |
| C41 | O49 | sing | 1.43Å | 1.44Å | |
| N34 | C32 | doub | 1.32Å | 1.35Å | Aromatic |
| N31 | C32 | sing | 1.32Å | 1.35Å | Aromatic |
| C41 | H1 | sing | 1.09Å | 1.10Å | |
| C43 | H2 | sing | 1.09Å | 1.10Å | |
| C43 | H3 | sing | 1.09Å | 1.10Å | |
| C46 | H4 | sing | 1.09Å | 1.10Å | |
| C46 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.08Å | 1.08Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| O49 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F4 | C2 | O5 | 105.5° | 109.4° |
| F4 | C2 | F3 | 112.7° | 109.5° |
| F4 | C2 | F1 | 109.4° | 109.5° |
| C2 | O5 | C6 | 117.3° | 117.0° |
| O5 | C2 | F3 | 111.5° | 109.5° |
| O5 | C2 | F1 | 110.8° | 109.5° |
| O5 | C6 | C7 | 121.9° | 120.0° |
| O5 | C6 | C14 | 117.9° | 120.0° |
| F3 | C2 | F1 | 107.0° | 109.5° |
| C7 | C6 | C14 | 119.9° | 120.0° |
| C6 | C7 | C9 | 120.2° | 120.1° |
| C6 | C7 | H11 | 119.9° | 120.0° |
| C6 | C14 | C12 | 120.6° | 120.0° |
| C6 | C14 | H7 | 119.7° | 120.0° |
| C7 | C9 | C11 | 120.0° | 120.0° |
| C9 | C7 | H11 | 119.9° | 120.0° |
| C7 | C9 | H12 | 120.0° | 120.0° |
| C9 | C11 | C12 | 119.9° | 119.9° |
| C9 | C11 | N16 | 122.4° | 120.0° |
| C11 | C9 | H12 | 120.0° | 120.0° |
| C14 | C12 | C11 | 119.3° | 120.0° |
| C14 | C12 | H6 | 120.3° | 120.0° |
| C12 | C14 | H7 | 119.7° | 120.0° |
| C12 | C11 | N16 | 117.3° | 120.0° |
| C11 | C12 | H6 | 120.4° | 120.0° |
| C11 | N16 | C18 | 127.1° | 120.0° |
| C11 | N16 | H13 | 116.5° | 120.0° |
| O19 | C18 | N16 | 124.7° | 120.0° |
| O19 | C18 | C20 | 118.2° | 120.0° |
| N16 | C18 | C20 | 116.8° | 120.0° |
| C18 | N16 | H13 | 116.5° | 120.0° |
| C18 | C20 | C21 | 121.0° | 120.4° |
| C18 | C20 | C26 | 120.1° | 120.4° |
| C21 | C20 | C26 | 118.9° | 119.2° |
| C20 | C21 | N23 | 118.3° | 120.9° |
| C20 | C21 | H8 | 120.8° | 119.5° |
| C20 | C26 | C25 | 120.9° | 118.3° |
| C20 | C26 | H9 | 119.5° | 120.9° |
| C21 | N23 | C24 | 125.4° | 121.9° |
| N23 | C21 | H8 | 120.8° | 119.6° |
| C26 | C25 | C24 | 117.4° | 119.0° |
| C26 | C25 | C28 | 116.9° | 120.5° |
| C25 | C26 | H9 | 119.5° | 120.9° |
| N23 | C24 | C25 | 118.5° | 120.8° |
| N23 | C24 | N37 | 113.3° | 119.7° |
| C25 | C24 | N37 | 127.6° | 119.6° |
| C24 | C25 | C28 | 124.8° | 120.5° |
| C24 | N37 | C38 | 122.9° | 111.0° |
| C24 | N37 | C46 | 123.4° | 111.0° |
| C25 | C28 | C35 | 123.7° | 120.9° |
| C25 | C28 | C29 | 119.3° | 120.9° |
| N37 | C38 | C41 | 101.2° | 104.6° |
| C38 | N37 | C46 | 113.2° | 104.2° |
| N37 | C38 | H16 | 111.5° | 110.4° |
| N37 | C38 | H17 | 111.5° | 110.4° |
| C38 | C41 | C43 | 100.7° | 105.0° |
| C38 | C41 | O49 | 109.8° | 110.3° |
| C38 | C41 | H1 | 111.4° | 110.4° |
| C41 | C38 | H16 | 111.5° | 110.4° |
| C41 | C38 | H17 | 111.5° | 110.4° |
| N37 | C46 | C43 | 100.8° | 104.6° |
| N37 | C46 | H4 | 111.6° | 110.4° |
| N37 | C46 | H5 | 111.6° | 110.5° |
| C35 | C28 | C29 | 116.9° | 118.1° |
| C28 | C35 | N34 | 120.1° | 118.9° |
| C28 | C35 | H15 | 120.0° | 120.5° |
| C28 | C29 | N31 | 120.2° | 119.0° |
| C28 | C29 | H10 | 119.9° | 120.5° |
| C35 | N34 | C32 | 121.6° | 121.0° |
| N34 | C35 | H15 | 119.9° | 120.5° |
| C29 | N31 | C32 | 121.3° | 120.9° |
| N31 | C29 | H10 | 119.9° | 120.5° |
| C46 | C43 | C41 | 100.2° | 105.1° |
| C46 | C43 | H2 | 111.8° | 110.4° |
| C46 | C43 | H3 | 111.7° | 110.4° |
| C43 | C46 | H4 | 111.6° | 110.4° |
| C43 | C46 | H5 | 111.6° | 110.4° |
| C43 | C41 | O49 | 109.9° | 110.3° |
| C43 | C41 | H1 | 111.4° | 110.3° |
| C41 | C43 | H2 | 111.7° | 110.3° |
| C41 | C43 | H3 | 111.7° | 110.3° |
| O49 | C41 | H1 | 113.0° | 110.3° |
| C41 | O49 | H18 | 109.5° | 114.1° |
| N34 | C32 | N31 | 119.7° | 122.1° |
| N34 | C32 | H14 | 120.1° | 119.0° |
| N31 | C32 | H14 | 120.1° | 118.9° |
| H2 | C43 | H3 | 109.5° | 110.2° |
| H4 | C46 | H5 | 109.5° | 110.4° |
| H16 | C38 | H17 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F4 | C2 | O5 | F3 | 122.6° | 120.0° |
| F4 | C2 | O5 | F1 | 118.3° | 120.0° |
| F4 | C2 | O5 | C6 | 178.1° | 60.0° |
| F4 | C2 | F3 | F1 | 120.3° | 120.0° |
| O5 | C2 | F3 | F1 | 121.3° | 120.1° |
| C2 | O5 | C6 | C7 | 90.7° | 179.9° |
| C2 | O5 | C6 | C14 | 82.7° | 0.0° |
| C6 | O5 | C2 | F3 | 59.3° | 60.0° |
| C6 | O5 | C2 | F1 | 59.8° | 180.0° |
| O5 | C6 | C7 | C14 | 173.2° | 179.9° |
| O5 | C6 | C7 | C9 | 176.9° | 179.7° |
| O5 | C6 | C14 | C12 | 175.7° | 180.0° |
| O5 | C6 | C14 | H7 | 4.3° | 0.1° |
| O5 | C6 | C7 | H11 | 3.1° | 0.1° |
| C6 | C7 | C9 | H11 | 180.0° | 179.8° |
| C6 | C7 | C9 | C11 | 0.5° | 0.5° |
| C7 | C6 | C14 | C12 | 2.2° | 0.1° |
| C7 | C6 | C14 | H7 | 177.8° | 180.0° |
| C6 | C7 | C9 | H12 | 179.5° | 179.9° |
| C14 | C6 | C7 | C9 | 3.6° | 0.2° |
| C6 | C14 | C12 | H7 | 180.0° | 180.0° |
| C6 | C14 | C12 | C11 | 2.3° | 0.0° |
| C6 | C14 | C12 | H6 | 177.7° | 179.9° |
| C14 | C6 | C7 | H11 | 176.3° | 180.0° |
| C7 | C9 | C11 | H12 | 180.0° | 179.4° |
| C7 | C9 | C11 | C12 | 4.0° | 0.6° |
| C7 | C9 | C11 | N16 | 176.5° | 179.7° |
| C9 | C11 | C12 | C14 | 5.4° | 0.3° |
| C9 | C11 | C12 | N16 | 172.9° | 179.7° |
| C9 | C11 | N16 | C18 | 3.1° | 146.9° |
| C9 | C11 | C12 | H6 | 174.6° | 179.8° |
| C11 | C9 | C7 | H11 | 179.5° | 179.7° |
| C9 | C11 | N16 | H13 | 176.9° | 33.1° |
| C14 | C12 | C11 | H6 | 180.0° | 179.9° |
| C14 | C12 | C11 | N16 | 178.3° | 180.0° |
| C12 | C11 | N16 | C18 | 175.8° | 33.3° |
| C11 | C12 | C14 | H7 | 177.7° | 180.0° |
| C12 | C11 | C9 | H12 | 176.0° | 180.0° |
| C12 | C11 | N16 | H13 | 4.1° | 146.7° |
| C11 | N16 | C18 | O19 | 10.1° | 5.3° |
| C11 | N16 | C18 | H13 | 180.0° | 180.0° |
| C11 | N16 | C18 | C20 | 176.2° | 174.7° |
| N16 | C11 | C12 | H6 | 1.7° | 0.1° |
| N16 | C11 | C9 | H12 | 3.4° | 0.3° |
| O19 | C18 | N16 | C20 | 173.8° | 179.9° |
| O19 | C18 | C20 | C21 | 32.7° | 180.0° |
| O19 | C18 | C20 | C26 | 150.2° | 0.2° |
| O19 | C18 | N16 | H13 | 170.0° | 174.7° |
| N16 | C18 | C20 | C21 | 141.4° | 0.1° |
| N16 | C18 | C20 | C26 | 35.6° | 179.8° |
| C18 | C20 | C21 | C26 | 177.1° | 179.8° |
| C18 | C20 | C21 | N23 | 177.1° | 180.0° |
| C18 | C20 | C26 | C25 | 176.8° | 180.0° |
| C18 | C20 | C21 | H8 | 2.9° | 0.0° |
| C18 | C20 | C26 | H9 | 3.2° | 0.0° |
| C20 | C18 | N16 | H13 | 3.8° | 5.3° |
| C20 | C21 | N23 | H8 | 180.0° | 180.0° |
| C21 | C20 | C26 | C25 | 0.3° | 0.2° |
| C20 | C21 | N23 | C24 | 8.5° | 0.0° |
| C21 | C20 | C26 | H9 | 179.7° | 179.8° |
| C26 | C20 | C21 | N23 | 5.9° | 0.2° |
| C20 | C26 | C25 | H9 | 180.0° | 180.0° |
| C20 | C26 | C25 | C24 | 4.2° | 0.0° |
| C20 | C26 | C25 | C28 | 174.3° | 180.0° |
| C26 | C20 | C21 | H8 | 174.2° | 179.8° |
| C21 | N23 | C24 | C25 | 4.4° | 0.2° |
| C21 | N23 | C24 | N37 | 167.1° | 180.0° |
| C26 | C25 | C24 | N23 | 2.2° | 0.2° |
| C26 | C25 | C24 | C28 | 169.2° | 180.0° |
| C26 | C25 | C24 | N37 | 172.3° | 180.0° |
| C26 | C25 | C28 | C35 | 62.7° | 50.1° |
| C26 | C25 | C28 | C29 | 113.2° | 130.3° |
| N23 | C24 | C25 | N37 | 170.1° | 179.8° |
| N23 | C24 | C25 | C28 | 171.3° | 179.8° |
| N23 | C24 | N37 | C38 | 2.9° | 4.5° |
| N23 | C24 | N37 | C46 | 168.1° | 119.9° |
| C24 | N23 | C21 | H8 | 171.5° | 180.0° |
| C25 | C24 | N37 | C38 | 173.4° | 175.3° |
| C25 | C24 | N37 | C46 | 2.5° | 59.9° |
| C24 | C25 | C28 | C35 | 128.1° | 129.9° |
| C24 | C25 | C28 | C29 | 56.0° | 49.7° |
| C24 | C25 | C26 | H9 | 175.7° | 180.0° |
| N37 | C24 | C25 | C28 | 18.6° | 0.0° |
| C24 | N37 | C38 | C46 | 171.8° | 119.5° |
| C24 | N37 | C38 | C41 | 175.4° | 159.0° |
| C24 | N37 | C46 | C43 | 154.4° | 159.0° |
| C24 | N37 | C46 | H4 | 35.8° | 82.3° |
| C24 | N37 | C46 | H5 | 87.0° | 40.2° |
| C24 | N37 | C38 | H16 | 56.8° | 40.3° |
| C24 | N37 | C38 | H17 | 65.9° | 82.2° |
| C25 | C28 | C35 | C29 | 176.0° | 179.6° |
| C25 | C28 | C35 | N34 | 178.8° | 179.7° |
| C25 | C28 | C29 | N31 | 179.4° | 180.0° |
| C28 | C25 | C26 | H9 | 5.7° | 0.1° |
| C25 | C28 | C29 | H10 | 0.6° | 0.1° |
| C25 | C28 | C35 | H15 | 1.2° | 0.1° |
| N37 | C38 | C41 | H16 | 118.7° | 118.8° |
| N37 | C38 | C41 | H17 | 118.6° | 118.8° |
| C38 | N37 | C46 | C43 | 17.3° | 39.5° |
| N37 | C38 | C41 | C43 | 37.5° | 23.8° |
| N37 | C38 | C41 | O49 | 78.3° | 95.0° |
| N37 | C38 | C41 | H1 | 155.7° | 142.8° |
| C38 | N37 | C46 | H4 | 135.9° | 158.2° |
| C38 | N37 | C46 | H5 | 101.3° | 79.3° |
| N37 | C38 | H16 | H17 | 123.8° | 122.4° |
| C41 | C38 | N37 | C46 | 12.8° | 39.5° |
| C38 | C41 | C43 | C46 | 48.5° | 0.0° |
| C38 | C41 | C43 | O49 | 115.8° | 118.9° |
| C38 | C41 | C43 | H1 | 118.2° | 119.0° |
| C38 | C41 | O49 | H1 | 125.1° | 122.3° |
| C38 | C41 | C43 | H2 | 70.0° | 118.9° |
| C38 | C41 | C43 | H3 | 167.0° | 119.1° |
| C41 | C38 | H16 | H17 | 123.9° | 122.4° |
| C38 | C41 | O49 | H18 | 180.0° | 177.1° |
| N37 | C46 | C43 | H4 | 118.6° | 118.8° |
| N37 | C46 | C43 | H5 | 118.6° | 118.9° |
| N37 | C46 | C43 | C41 | 40.0° | 23.9° |
| N37 | C46 | C43 | H2 | 78.5° | 95.0° |
| N37 | C46 | C43 | H3 | 158.5° | 142.8° |
| N37 | C46 | H4 | H5 | 124.0° | 122.5° |
| C46 | N37 | C38 | H16 | 131.5° | 79.3° |
| C46 | N37 | C38 | H17 | 105.9° | 158.3° |
| C28 | C35 | N34 | H15 | 180.0° | 179.6° |
| C35 | C28 | C29 | N31 | 3.2° | 0.3° |
| C28 | C35 | N34 | C32 | 2.1° | 0.8° |
| C35 | C28 | C29 | H10 | 176.8° | 179.7° |
| C29 | C28 | C35 | N34 | 2.8° | 0.7° |
| C28 | C29 | N31 | H10 | 180.0° | 179.9° |
| C28 | C29 | N31 | C32 | 2.9° | 0.1° |
| C29 | C28 | C35 | H15 | 177.2° | 179.7° |
| C35 | N34 | C32 | N31 | 1.6° | 0.5° |
| C35 | N34 | C32 | H14 | 178.4° | 179.6° |
| C29 | N31 | C32 | N34 | 2.0° | 0.1° |
| C29 | N31 | C32 | H14 | 178.0° | 180.0° |
| C46 | C43 | C41 | H2 | 118.5° | 119.0° |
| C46 | C43 | C41 | H3 | 118.5° | 119.0° |
| C46 | C43 | C41 | O49 | 67.3° | 118.9° |
| C46 | C43 | C41 | H1 | 166.7° | 119.0° |
| C46 | C43 | H2 | H3 | 124.3° | 122.3° |
| C43 | C46 | H4 | H5 | 124.0° | 122.4° |
| C43 | C41 | O49 | H1 | 125.1° | 122.1° |
| C41 | C43 | H2 | H3 | 124.3° | 122.1° |
| C41 | C43 | C46 | H4 | 158.6° | 142.6° |
| C41 | C43 | C46 | H5 | 78.6° | 95.0° |
| C43 | C41 | C38 | H16 | 156.2° | 94.9° |
| C43 | C41 | C38 | H17 | 81.1° | 142.7° |
| C43 | C41 | O49 | H18 | 70.2° | 61.5° |
| O49 | C41 | C43 | H2 | 174.2° | 0.1° |
| O49 | C41 | C43 | H3 | 51.1° | 122.1° |
| O49 | C41 | C38 | H16 | 40.4° | 146.2° |
| O49 | C41 | C38 | H17 | 163.0° | 23.8° |
| N34 | C32 | N31 | H14 | 180.0° | 179.9° |
| C32 | N34 | C35 | H15 | 177.9° | 179.6° |
| C32 | N31 | C29 | H10 | 177.1° | 180.0° |
| H1 | C41 | C43 | H2 | 48.2° | 122.0° |
| H1 | C41 | C43 | H3 | 74.8° | 0.0° |
| H1 | C41 | C38 | H16 | 85.6° | 24.0° |
| H1 | C41 | C38 | H17 | 37.1° | 98.4° |
| H1 | C41 | O49 | H18 | 54.9° | 60.7° |
| H2 | C43 | C46 | H4 | 40.1° | 23.7° |
| H2 | C43 | C46 | H5 | 162.9° | 146.1° |
| H3 | C43 | C46 | H4 | 82.9° | 98.4° |
| H3 | C43 | C46 | H5 | 39.9° | 23.9° |
| H6 | C12 | C14 | H7 | 2.3° | 0.1° |
| H11 | C7 | C9 | H12 | 0.5° | 0.3° |
