F5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N13 | sing | 1.46Å | 1.51Å | |
| N13 | N14 | sing | 1.40Å | 1.35Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.34Å | Aromatic |
| N14 | C15 | doub | 1.31Å | 1.36Å | Aromatic |
| C26 | O25 | sing | 1.43Å | 1.46Å | |
| C12 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| C15 | C11 | sing | 1.41Å | 1.36Å | Aromatic |
| C11 | C6 | sing | 1.48Å | 1.37Å | |
| O25 | C24 | sing | 1.36Å | 1.40Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.44Å | Aromatic |
| C5 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.44Å | Aromatic |
| C2 | C10 | sing | 1.47Å | 1.41Å | |
| C19 | C10 | sing | 1.48Å | 1.42Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C7 | sing | 1.47Å | 1.39Å | |
| C10 | C9 | doub | 1.36Å | 1.38Å | |
| C21 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C21 | S27 | sing | 1.76Å | 1.72Å | |
| C7 | O17 | doub | 1.22Å | 1.26Å | |
| C7 | N8 | sing | 1.35Å | 1.35Å | |
| C9 | N8 | sing | 1.36Å | 1.42Å | |
| O31 | S27 | doub | 1.42Å | 1.52Å | |
| N8 | C18 | sing | 1.47Å | 1.50Å | |
| S27 | C28 | sing | 1.81Å | 1.83Å | |
| S27 | O30 | doub | 1.42Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N13 | N14 | 124.8° | 125.9° |
| C16 | N13 | C12 | 126.6° | 125.9° |
| N13 | C16 | H21 | 109.5° | 109.4° |
| N13 | C16 | H22 | 109.5° | 109.4° |
| N13 | C16 | H23 | 109.5° | 109.5° |
| N14 | N13 | C12 | 108.6° | 108.2° |
| N13 | N14 | C15 | 107.8° | 108.6° |
| N13 | C12 | C11 | 108.6° | 107.7° |
| N13 | C12 | H19 | 125.7° | 126.2° |
| N14 | C15 | C11 | 108.7° | 108.1° |
| N14 | C15 | H20 | 125.6° | 126.0° |
| C26 | O25 | C24 | 116.9° | 117.0° |
| O25 | C26 | H9 | 109.5° | 109.5° |
| O25 | C26 | H10 | 109.5° | 109.4° |
| O25 | C26 | H11 | 109.5° | 109.5° |
| C12 | C11 | C15 | 106.3° | 107.5° |
| C12 | C11 | C6 | 126.5° | 126.3° |
| C11 | C12 | H19 | 125.7° | 126.1° |
| C15 | C11 | C6 | 127.0° | 126.2° |
| C11 | C15 | H20 | 125.7° | 126.0° |
| C11 | C6 | C5 | 122.2° | 119.8° |
| C11 | C6 | C1 | 122.0° | 119.8° |
| O25 | C24 | C23 | 124.9° | 120.1° |
| O25 | C24 | C19 | 116.4° | 120.2° |
| C5 | C6 | C1 | 115.7° | 120.4° |
| C6 | C5 | C4 | 122.1° | 120.7° |
| C6 | C5 | H18 | 118.9° | 119.7° |
| C6 | C1 | C2 | 123.7° | 119.3° |
| C6 | C1 | H12 | 118.1° | 120.3° |
| C5 | C4 | C3 | 122.1° | 119.8° |
| C5 | C4 | H17 | 118.9° | 120.1° |
| C4 | C5 | H18 | 118.9° | 119.6° |
| C24 | C23 | C22 | 122.8° | 120.1° |
| C23 | C24 | C19 | 118.6° | 119.7° |
| C24 | C23 | H8 | 118.6° | 120.0° |
| C23 | C22 | C21 | 116.5° | 120.3° |
| C23 | C22 | H7 | 121.8° | 119.8° |
| C22 | C23 | H8 | 118.6° | 120.0° |
| C1 | C2 | C3 | 118.6° | 119.9° |
| C1 | C2 | C10 | 121.1° | 121.9° |
| C2 | C1 | H12 | 118.1° | 120.4° |
| C24 | C19 | C10 | 122.3° | 120.1° |
| C24 | C19 | C20 | 117.5° | 119.7° |
| C4 | C3 | C2 | 117.7° | 119.9° |
| C4 | C3 | C7 | 120.5° | 121.8° |
| C3 | C4 | H17 | 119.0° | 120.1° |
| C22 | C21 | C20 | 121.0° | 120.2° |
| C22 | C21 | S27 | 120.1° | 119.9° |
| C21 | C22 | H7 | 121.8° | 119.9° |
| C3 | C2 | C10 | 120.3° | 118.3° |
| C2 | C3 | C7 | 121.7° | 118.3° |
| C2 | C10 | C19 | 123.8° | 120.4° |
| C2 | C10 | C9 | 116.7° | 119.2° |
| C10 | C19 | C20 | 120.1° | 120.1° |
| C19 | C10 | C9 | 119.6° | 120.4° |
| C19 | C20 | C21 | 123.5° | 119.9° |
| C19 | C20 | H6 | 118.2° | 120.1° |
| C3 | C7 | O17 | 124.2° | 120.2° |
| C3 | C7 | N8 | 116.3° | 119.6° |
| C10 | C9 | N8 | 121.1° | 122.2° |
| C10 | C9 | H13 | 119.5° | 118.9° |
| C20 | C21 | S27 | 118.8° | 119.9° |
| C21 | C20 | H6 | 118.3° | 120.0° |
| C21 | S27 | O31 | 104.9° | 104.3° |
| C21 | S27 | C28 | 104.9° | 104.4° |
| C21 | S27 | O30 | 111.8° | 104.3° |
| O17 | C7 | N8 | 119.5° | 120.3° |
| C7 | N8 | C9 | 123.9° | 122.5° |
| C7 | N8 | C18 | 120.9° | 118.7° |
| C9 | N8 | C18 | 115.2° | 118.8° |
| N8 | C9 | H13 | 119.4° | 118.9° |
| O31 | S27 | C28 | 121.0° | 110.5° |
| O31 | S27 | O30 | 110.1° | 121.1° |
| N8 | C18 | H14 | 109.5° | 109.5° |
| N8 | C18 | H15 | 109.5° | 109.5° |
| N8 | C18 | H16 | 109.5° | 109.5° |
| C28 | S27 | O30 | 104.1° | 110.5° |
| S27 | C28 | C29 | 105.2° | 109.4° |
| S27 | C28 | H4 | 110.5° | 109.5° |
| S27 | C28 | H5 | 110.6° | 109.4° |
| C28 | C29 | H1 | 109.5° | 109.5° |
| C28 | C29 | H2 | 109.5° | 109.5° |
| C28 | C29 | H3 | 109.5° | 109.5° |
| C29 | C28 | H4 | 110.5° | 109.5° |
| C29 | C28 | H5 | 110.5° | 109.5° |
| H1 | C29 | H2 | 109.5° | 109.5° |
| H1 | C29 | H3 | 109.5° | 109.5° |
| H2 | C29 | H3 | 109.5° | 109.4° |
| H4 | C28 | H5 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H9 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H14 | C18 | H16 | 109.5° | 109.4° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N13 | N14 | C12 | 179.8° | 180.0° |
| C16 | N13 | N14 | C15 | 178.9° | 180.0° |
| C16 | N13 | C12 | C11 | 179.4° | 179.8° |
| C16 | N13 | C12 | H19 | 0.5° | 0.1° |
| N13 | C16 | H21 | H22 | 120.0° | 119.9° |
| N13 | C16 | H21 | H23 | 120.0° | 120.0° |
| N13 | C16 | H22 | H23 | 120.0° | 120.1° |
| N14 | N13 | C12 | C11 | 0.7° | 0.2° |
| N13 | N14 | C15 | C11 | 1.4° | 0.2° |
| N14 | N13 | C12 | H19 | 179.3° | 179.8° |
| N13 | N14 | C15 | H20 | 178.6° | 179.8° |
| N14 | N13 | C16 | H21 | 0.0° | 90.0° |
| N14 | N13 | C16 | H22 | 120.0° | 150.0° |
| N14 | N13 | C16 | H23 | 120.0° | 30.0° |
| C12 | N13 | N14 | C15 | 1.3° | 0.0° |
| N13 | C12 | C11 | H19 | 180.0° | 180.0° |
| N13 | C12 | C11 | C15 | 0.1° | 0.3° |
| N13 | C12 | C11 | C6 | 175.1° | 180.0° |
| C12 | N13 | C16 | H21 | 179.8° | 90.0° |
| C12 | N13 | C16 | H22 | 60.2° | 29.9° |
| C12 | N13 | C16 | H23 | 59.8° | 150.0° |
| N14 | C15 | C11 | C12 | 0.9° | 0.3° |
| N14 | C15 | C11 | H20 | 180.0° | 180.0° |
| N14 | C15 | C11 | C6 | 174.3° | 180.0° |
| C26 | O25 | C24 | C23 | 4.8° | 0.1° |
| C26 | O25 | C24 | C19 | 172.9° | 179.7° |
| O25 | C26 | H9 | H10 | 120.0° | 119.9° |
| O25 | C26 | H9 | H11 | 120.0° | 120.0° |
| O25 | C26 | H10 | H11 | 120.0° | 120.0° |
| C12 | C11 | C15 | C6 | 175.2° | 179.7° |
| C12 | C11 | C6 | C5 | 2.8° | 0.0° |
| C12 | C11 | C6 | C1 | 173.2° | 180.0° |
| C12 | C11 | C15 | H20 | 179.0° | 179.7° |
| C15 | C11 | C6 | C5 | 177.0° | 179.6° |
| C15 | C11 | C6 | C1 | 1.0° | 0.4° |
| C15 | C11 | C12 | H19 | 179.8° | 179.7° |
| C11 | C6 | C5 | C1 | 176.2° | 180.0° |
| C11 | C6 | C5 | C4 | 177.3° | 180.0° |
| C11 | C6 | C1 | C2 | 177.0° | 180.0° |
| C11 | C6 | C1 | H12 | 3.0° | 0.0° |
| C11 | C6 | C5 | H18 | 2.7° | 0.0° |
| C6 | C11 | C12 | H19 | 4.9° | 0.0° |
| C6 | C11 | C15 | H20 | 5.8° | 0.0° |
| O25 | C24 | C23 | C19 | 177.6° | 179.8° |
| O25 | C24 | C23 | C22 | 179.2° | 180.0° |
| O25 | C24 | C19 | C10 | 2.9° | 0.2° |
| O25 | C24 | C19 | C20 | 178.1° | 179.8° |
| O25 | C24 | C23 | H8 | 0.8° | 0.2° |
| C24 | O25 | C26 | H9 | 180.0° | 180.0° |
| C24 | O25 | C26 | H10 | 60.0° | 60.1° |
| C24 | O25 | C26 | H11 | 60.0° | 60.0° |
| C6 | C5 | C4 | H18 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.0° |
| C6 | C5 | C4 | C3 | 1.3° | 0.0° |
| C5 | C6 | C1 | H12 | 179.3° | 180.0° |
| C6 | C5 | C4 | H17 | 178.7° | 180.0° |
| C1 | C6 | C5 | C4 | 1.1° | 0.0° |
| C6 | C1 | C2 | H12 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C6 | C1 | C2 | C10 | 179.4° | 180.0° |
| C1 | C6 | C5 | H18 | 178.9° | 180.0° |
| C5 | C4 | C3 | H17 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C5 | C4 | C3 | C7 | 178.4° | 180.0° |
| C24 | C23 | C22 | H8 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 2.0° | 0.1° |
| C23 | C24 | C19 | C10 | 179.3° | 180.0° |
| C23 | C24 | C19 | C20 | 4.1° | 0.4° |
| C24 | C23 | C22 | H7 | 178.0° | 180.0° |
| C22 | C23 | C24 | C19 | 1.6° | 0.3° |
| C23 | C22 | C21 | H7 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 2.9° | 0.0° |
| C23 | C22 | C21 | S27 | 179.1° | 179.7° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | C10 | 179.9° | 180.0° |
| C1 | C2 | C10 | C19 | 0.3° | 0.0° |
| C1 | C2 | C3 | C7 | 178.0° | 180.0° |
| C1 | C2 | C10 | C9 | 179.0° | 179.8° |
| C24 | C19 | C10 | C2 | 69.4° | 105.2° |
| C24 | C19 | C10 | C20 | 175.1° | 179.6° |
| C24 | C19 | C10 | C9 | 110.0° | 75.0° |
| C24 | C19 | C20 | C21 | 3.4° | 0.4° |
| C24 | C19 | C20 | H6 | 176.6° | 179.5° |
| C19 | C24 | C23 | H8 | 178.4° | 180.0° |
| C4 | C3 | C2 | C7 | 177.5° | 180.0° |
| C4 | C3 | C2 | C10 | 179.3° | 180.0° |
| C4 | C3 | C7 | O17 | 0.2° | 0.1° |
| C4 | C3 | C7 | N8 | 178.1° | 179.8° |
| C3 | C4 | C5 | H18 | 178.7° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.2° |
| C22 | C21 | C20 | S27 | 176.3° | 179.7° |
| C22 | C21 | S27 | O31 | 35.9° | 153.6° |
| C22 | C21 | S27 | C28 | 92.6° | 90.3° |
| C22 | C21 | S27 | O30 | 155.2° | 25.7° |
| C22 | C21 | C20 | H6 | 179.7° | 179.7° |
| C21 | C22 | C23 | H8 | 178.0° | 179.8° |
| C3 | C2 | C10 | C19 | 179.8° | 180.0° |
| C3 | C2 | C10 | C9 | 0.8° | 0.2° |
| C2 | C3 | C7 | O17 | 177.6° | 180.0° |
| C2 | C3 | C7 | N8 | 0.7° | 0.3° |
| C3 | C2 | C1 | H12 | 179.5° | 180.0° |
| C2 | C3 | C4 | H17 | 179.1° | 180.0° |
| C2 | C10 | C19 | C9 | 179.3° | 179.8° |
| C2 | C10 | C19 | C20 | 115.6° | 75.2° |
| C10 | C2 | C3 | C7 | 1.8° | 0.0° |
| C2 | C10 | C9 | N8 | 1.2° | 0.2° |
| C10 | C2 | C1 | H12 | 0.6° | 0.0° |
| C2 | C10 | C9 | H13 | 178.8° | 179.7° |
| C10 | C19 | C20 | C21 | 178.7° | 180.0° |
| C19 | C10 | C9 | N8 | 178.2° | 180.0° |
| C10 | C19 | C20 | H6 | 1.3° | 0.1° |
| C19 | C10 | C9 | H13 | 1.8° | 0.0° |
| C20 | C19 | C10 | C9 | 65.1° | 104.6° |
| C19 | C20 | C21 | H6 | 180.0° | 179.9° |
| C19 | C20 | C21 | S27 | 176.6° | 179.9° |
| C3 | C7 | O17 | N8 | 178.3° | 179.7° |
| C3 | C7 | N8 | C9 | 1.4° | 0.3° |
| C3 | C7 | N8 | C18 | 179.0° | 179.7° |
| C7 | C3 | C4 | H17 | 1.6° | 0.1° |
| C10 | C9 | N8 | C7 | 2.4° | 0.0° |
| C10 | C9 | N8 | H13 | 180.0° | 180.0° |
| C10 | C9 | N8 | C18 | 179.8° | 180.0° |
| C20 | C21 | S27 | O31 | 140.5° | 26.1° |
| C20 | C21 | S27 | C28 | 91.1° | 90.0° |
| C20 | C21 | S27 | O30 | 21.1° | 154.0° |
| C20 | C21 | C22 | H7 | 177.1° | 180.0° |
| C21 | S27 | O31 | C28 | 118.0° | 111.7° |
| C21 | S27 | O31 | O30 | 120.4° | 116.8° |
| C21 | S27 | C28 | O30 | 117.6° | 111.6° |
| C21 | S27 | C28 | C29 | 66.0° | 180.0° |
| C21 | S27 | C28 | H4 | 53.3° | 60.0° |
| C21 | S27 | C28 | H5 | 174.7° | 60.0° |
| S27 | C21 | C20 | H6 | 3.4° | 0.0° |
| S27 | C21 | C22 | H7 | 0.9° | 0.3° |
| O17 | C7 | N8 | C9 | 179.8° | 180.0° |
| O17 | C7 | N8 | C18 | 2.6° | 0.0° |
| C7 | N8 | C9 | C18 | 177.7° | 180.0° |
| C7 | N8 | C9 | H13 | 177.6° | 180.0° |
| C7 | N8 | C18 | H14 | 180.0° | 90.0° |
| C7 | N8 | C18 | H15 | 60.0° | 30.0° |
| C7 | N8 | C18 | H16 | 60.0° | 150.1° |
| C9 | N8 | C18 | H14 | 2.2° | 90.0° |
| C9 | N8 | C18 | H15 | 117.8° | 150.0° |
| C9 | N8 | C18 | H16 | 122.2° | 29.9° |
| O31 | S27 | C28 | O30 | 124.4° | 136.8° |
| O31 | S27 | C28 | C29 | 176.0° | 68.4° |
| O31 | S27 | C28 | H4 | 64.7° | 171.6° |
| O31 | S27 | C28 | H5 | 56.7° | 51.6° |
| C18 | N8 | C9 | H13 | 0.1° | 0.0° |
| N8 | C18 | H14 | H15 | 120.0° | 120.1° |
| N8 | C18 | H14 | H16 | 120.0° | 120.0° |
| N8 | C18 | H15 | H16 | 120.0° | 120.0° |
| S27 | C28 | C29 | H4 | 119.3° | 120.0° |
| S27 | C28 | C29 | H5 | 119.3° | 119.9° |
| S27 | C28 | C29 | H1 | 180.0° | 60.0° |
| S27 | C28 | C29 | H2 | 60.0° | 180.0° |
| S27 | C28 | C29 | H3 | 60.0° | 60.1° |
| S27 | C28 | H4 | H5 | 122.0° | 119.9° |
| O30 | S27 | C28 | C29 | 51.5° | 68.4° |
| O30 | S27 | C28 | H4 | 170.9° | 51.6° |
| O30 | S27 | C28 | H5 | 67.8° | 171.6° |
| C28 | C29 | H1 | H2 | 120.0° | 120.0° |
| C28 | C29 | H1 | H3 | 120.0° | 120.1° |
| C28 | C29 | H2 | H3 | 120.0° | 120.0° |
| C29 | C28 | H4 | H5 | 121.9° | 120.1° |
| H1 | C29 | H2 | H3 | 120.0° | 120.0° |
| H1 | C29 | C28 | H4 | 60.7° | 180.0° |
| H1 | C29 | C28 | H5 | 60.7° | 59.9° |
| H2 | C29 | C28 | H4 | 179.3° | 60.0° |
| H2 | C29 | C28 | H5 | 59.3° | 60.1° |
| H3 | C29 | C28 | H4 | 59.3° | 59.9° |
| H3 | C29 | C28 | H5 | 179.3° | 180.0° |
| H7 | C22 | C23 | H8 | 2.0° | 0.3° |
| H9 | C26 | H10 | H11 | 120.0° | 120.0° |
| H14 | C18 | H15 | H16 | 120.0° | 119.9° |
| H17 | C4 | C5 | H18 | 1.3° | 0.1° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
