9FK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | S21 | doub | 1.42Å | 1.48Å | |
| S21 | O23 | doub | 1.42Å | 1.42Å | |
| S21 | N24 | sing | 1.66Å | 1.62Å | |
| S21 | C19 | sing | 1.76Å | 1.72Å | |
| C19 | S20 | sing | 1.76Å | 1.73Å | Aromatic |
| C19 | C18 | doub | 1.34Å | 1.43Å | Aromatic |
| S20 | C16 | sing | 1.76Å | 1.68Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.48Å | 1.47Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | N11 | sing | 1.36Å | 1.36Å | Aromatic |
| N11 | N12 | sing | 1.40Å | 1.38Å | Aromatic |
| N11 | C10 | sing | 1.40Å | 1.36Å | |
| N12 | N13 | doub | 1.29Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C3 | doub | 1.41Å | 1.48Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.40Å | Aromatic |
| C7 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.46Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| N24 | HN1 | sing | 0.97Å | 1.00Å | |
| N24 | HN2 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | S21 | O23 | 118.6° | 123.2° |
| O22 | S21 | N24 | 109.8° | 106.4° |
| O22 | S21 | C19 | 103.1° | 106.4° |
| O23 | S21 | N24 | 108.4° | 106.4° |
| O23 | S21 | C19 | 104.0° | 106.4° |
| N24 | S21 | C19 | 112.9° | 107.2° |
| S21 | N24 | HN1 | 109.5° | 120.0° |
| S21 | N24 | HN2 | 109.5° | 120.0° |
| S21 | C19 | S20 | 126.4° | 125.1° |
| S21 | C19 | C18 | 125.6° | 125.1° |
| S20 | C19 | C18 | 108.0° | 109.7° |
| C19 | S20 | C16 | 94.7° | 91.0° |
| C19 | C18 | C17 | 112.6° | 115.1° |
| C19 | C18 | H18 | 123.7° | 122.5° |
| S20 | C16 | C17 | 110.4° | 109.5° |
| S20 | C16 | C14 | 126.8° | 125.3° |
| C17 | C16 | C14 | 122.8° | 125.2° |
| C16 | C17 | C18 | 114.0° | 114.7° |
| C16 | C17 | H17 | 123.0° | 122.7° |
| C16 | C14 | C15 | 126.0° | 125.7° |
| C16 | C14 | N13 | 120.3° | 125.7° |
| C17 | C18 | H18 | 123.7° | 122.5° |
| C18 | C17 | H17 | 123.0° | 122.6° |
| C15 | C14 | N13 | 113.4° | 108.6° |
| C14 | C15 | N11 | 101.1° | 106.7° |
| C14 | C15 | H15 | 129.4° | 126.6° |
| C14 | N13 | N12 | 105.6° | 109.8° |
| C15 | N11 | N12 | 113.7° | 106.5° |
| C15 | N11 | C10 | 126.8° | 126.8° |
| N11 | C15 | H15 | 129.5° | 126.7° |
| N12 | N11 | C10 | 119.4° | 126.7° |
| N11 | N12 | N13 | 106.2° | 108.4° |
| N11 | C10 | C9 | 124.0° | 120.3° |
| N11 | C10 | C3 | 119.0° | 120.3° |
| C9 | C10 | C3 | 116.8° | 119.4° |
| C10 | C9 | C8 | 125.0° | 120.7° |
| C10 | C9 | H9 | 117.5° | 119.7° |
| C10 | C3 | C4 | 117.0° | 119.4° |
| C10 | C3 | C2 | 122.6° | 121.3° |
| C9 | C8 | C7 | 120.3° | 121.1° |
| C8 | C9 | H9 | 117.5° | 119.6° |
| C9 | C8 | H8 | 119.9° | 119.5° |
| C8 | C7 | C4 | 118.2° | 119.9° |
| C7 | C8 | H8 | 119.9° | 119.5° |
| C8 | C7 | H7 | 120.9° | 120.1° |
| C7 | C4 | C3 | 122.1° | 119.4° |
| C7 | C4 | C5 | 120.2° | 121.2° |
| C4 | C7 | H7 | 120.9° | 120.0° |
| C3 | C4 | C5 | 117.5° | 119.3° |
| C4 | C3 | C2 | 120.4° | 119.4° |
| C4 | C5 | C6 | 121.8° | 119.7° |
| C4 | C5 | H5 | 119.1° | 120.2° |
| C3 | C2 | C1 | 119.7° | 119.7° |
| C3 | C2 | H2 | 120.2° | 120.2° |
| C5 | C6 | C1 | 120.0° | 121.0° |
| C6 | C5 | H5 | 119.1° | 120.2° |
| C5 | C6 | H6 | 120.0° | 119.5° |
| C6 | C1 | C2 | 120.5° | 120.9° |
| C1 | C6 | H6 | 120.0° | 119.5° |
| C6 | C1 | H1 | 119.8° | 119.5° |
| C1 | C2 | H2 | 120.1° | 120.1° |
| C2 | C1 | H1 | 119.7° | 119.5° |
| HN1 | N24 | HN2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | S21 | O23 | N24 | 126.0° | 123.0° |
| O22 | S21 | O23 | C19 | 113.7° | 123.0° |
| O22 | S21 | N24 | C19 | 114.4° | 113.6° |
| O22 | S21 | C19 | S20 | 162.1° | 156.5° |
| O22 | S21 | C19 | C18 | 14.2° | 23.9° |
| O22 | S21 | N24 | HN1 | 180.0° | 113.5° |
| O22 | S21 | N24 | HN2 | 60.0° | 66.5° |
| O23 | S21 | N24 | C19 | 114.6° | 113.5° |
| O23 | S21 | C19 | S20 | 73.6° | 23.6° |
| O23 | S21 | C19 | C18 | 110.2° | 156.8° |
| O23 | S21 | N24 | HN1 | 49.0° | 113.6° |
| O23 | S21 | N24 | HN2 | 71.0° | 66.5° |
| N24 | S21 | C19 | S20 | 43.7° | 89.9° |
| N24 | S21 | C19 | C18 | 132.6° | 89.7° |
| S21 | N24 | HN1 | HN2 | 120.0° | 180.0° |
| S21 | C19 | S20 | C18 | 176.8° | 179.7° |
| S21 | C19 | S20 | C16 | 179.0° | 180.0° |
| S21 | C19 | C18 | C17 | 177.3° | 179.8° |
| C19 | S21 | N24 | HN1 | 65.6° | 0.1° |
| C19 | S21 | N24 | HN2 | 174.4° | 180.0° |
| S21 | C19 | C18 | H18 | 2.7° | 0.0° |
| C19 | S20 | C16 | C17 | 1.5° | 0.0° |
| C19 | S20 | C16 | C14 | 178.5° | 179.9° |
| S20 | C19 | C18 | C17 | 5.9° | 0.5° |
| S20 | C19 | C18 | H18 | 174.2° | 179.7° |
| C18 | C19 | S20 | C16 | 4.2° | 0.3° |
| C19 | C18 | C17 | C16 | 5.1° | 0.5° |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C19 | C18 | C17 | H17 | 175.0° | 179.7° |
| S20 | C16 | C17 | C14 | 179.9° | 179.9° |
| S20 | C16 | C17 | C18 | 1.7° | 0.2° |
| S20 | C16 | C14 | C15 | 6.3° | 0.1° |
| S20 | C16 | C14 | N13 | 179.3° | 179.7° |
| S20 | C16 | C17 | H17 | 178.3° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C17 | C16 | C14 | C15 | 173.8° | 180.0° |
| C17 | C16 | C14 | N13 | 0.7° | 0.4° |
| C16 | C17 | C18 | H18 | 175.0° | 179.7° |
| C14 | C16 | C17 | C18 | 178.2° | 179.8° |
| C16 | C14 | C15 | N13 | 173.5° | 179.6° |
| C16 | C14 | C15 | N11 | 175.5° | 180.0° |
| C16 | C14 | N13 | N12 | 176.2° | 179.8° |
| C14 | C16 | C17 | H17 | 1.7° | 0.0° |
| C16 | C14 | C15 | H15 | 4.5° | 0.2° |
| C14 | C15 | N11 | H15 | 180.0° | 179.9° |
| C14 | C15 | N11 | N12 | 1.0° | 0.1° |
| C14 | C15 | N11 | C10 | 176.7° | 179.9° |
| C15 | C14 | N13 | N12 | 2.3° | 0.5° |
| N13 | C14 | C15 | N11 | 2.1° | 0.3° |
| C14 | N13 | N12 | N11 | 1.5° | 0.5° |
| N13 | C14 | C15 | H15 | 177.9° | 179.8° |
| C15 | N11 | N12 | C10 | 177.9° | 180.0° |
| C15 | N11 | N12 | N13 | 0.3° | 0.3° |
| C15 | N11 | C10 | C9 | 65.0° | 47.6° |
| C15 | N11 | C10 | C3 | 120.0° | 132.1° |
| N12 | N11 | C10 | C9 | 112.6° | 132.4° |
| N12 | N11 | C10 | C3 | 62.4° | 47.9° |
| N12 | N11 | C15 | H15 | 178.9° | 179.9° |
| C10 | N11 | N12 | N13 | 178.2° | 179.8° |
| N11 | C10 | C9 | C3 | 175.1° | 179.7° |
| N11 | C10 | C9 | C8 | 177.0° | 180.0° |
| N11 | C10 | C3 | C4 | 178.1° | 179.8° |
| N11 | C10 | C3 | C2 | 1.1° | 0.0° |
| C10 | N11 | C15 | H15 | 3.3° | 0.1° |
| N11 | C10 | C9 | H9 | 3.0° | 0.1° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 5.9° | 0.1° |
| C9 | C10 | C3 | C4 | 2.8° | 0.5° |
| C9 | C10 | C3 | C2 | 176.5° | 179.7° |
| C10 | C9 | C8 | H8 | 174.1° | 180.0° |
| C3 | C10 | C9 | C8 | 7.9° | 0.3° |
| C10 | C3 | C4 | C7 | 4.1° | 0.4° |
| C10 | C3 | C4 | C2 | 179.3° | 179.8° |
| C10 | C3 | C4 | C5 | 178.8° | 179.7° |
| C10 | C3 | C2 | C1 | 179.7° | 179.3° |
| C3 | C10 | C9 | H9 | 172.1° | 179.7° |
| C10 | C3 | C2 | H2 | 0.3° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C4 | 1.5° | 0.0° |
| C9 | C8 | C7 | H7 | 178.5° | 180.0° |
| C8 | C7 | C4 | H7 | 180.0° | 180.0° |
| C8 | C7 | C4 | C3 | 6.3° | 0.2° |
| C8 | C7 | C4 | C5 | 179.1° | 180.0° |
| C7 | C8 | C9 | H9 | 174.1° | 180.0° |
| C7 | C4 | C3 | C5 | 174.7° | 179.8° |
| C7 | C4 | C3 | C2 | 176.6° | 179.7° |
| C7 | C4 | C5 | C6 | 175.1° | 180.0° |
| C4 | C7 | C8 | H8 | 178.5° | 180.0° |
| C7 | C4 | C5 | H5 | 4.9° | 0.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.2° |
| C4 | C3 | C2 | C1 | 1.1° | 0.6° |
| C3 | C4 | C7 | H7 | 173.7° | 179.8° |
| C3 | C4 | C5 | H5 | 179.8° | 179.8° |
| C4 | C3 | C2 | H2 | 178.9° | 179.8° |
| C5 | C4 | C3 | C2 | 1.9° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.2° | 0.0° |
| C5 | C4 | C7 | H7 | 0.9° | 0.0° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| C3 | C2 | C1 | C6 | 1.5° | 0.8° |
| C3 | C2 | C1 | H2 | 180.0° | 179.2° |
| C3 | C2 | C1 | H1 | 178.6° | 179.6° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 3.1° | 0.5° |
| C5 | C6 | C1 | H1 | 176.9° | 179.9° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C1 | C6 | C5 | H5 | 177.8° | 180.0° |
| C6 | C1 | C2 | H2 | 178.6° | 180.0° |
| C2 | C1 | C6 | H6 | 176.9° | 179.5° |
| H18 | C18 | C17 | H17 | 5.0° | 0.1° |
| H9 | C9 | C8 | H8 | 6.0° | 0.0° |
| H8 | C8 | C7 | H7 | 1.5° | 0.0° |
| H5 | C5 | C6 | H6 | 2.2° | 0.0° |
| H2 | C2 | C1 | H1 | 1.4° | 0.5° |
| H6 | C6 | C1 | H1 | 3.1° | 0.1° |
