FT4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | S21 | doub | 1.42Å | 1.52Å | |
| O23 | S21 | doub | 1.42Å | 1.52Å | |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| S21 | C24 | sing | 1.76Å | 1.83Å | |
| S21 | N2 | sing | 1.66Å | 1.69Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.37Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.46Å | |
| N2 | C3 | sing | 1.46Å | 1.43Å | |
| C3 | C5 | sing | 1.53Å | 1.57Å | |
| C3 | C9 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.56Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.35Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.45Å | 1.46Å | Aromatic |
| C7 | N16 | sing | 1.37Å | 1.34Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.42Å | 1.38Å | Aromatic |
| N16 | C17 | sing | 1.46Å | 1.46Å | |
| N16 | C15 | sing | 1.36Å | 1.34Å | Aromatic |
| O20 | C18 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.37Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.55Å | |
| C18 | O19 | sing | 1.34Å | 1.32Å | |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| O19 | H17 | sing | 0.97Å | 0.95Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | S21 | O23 | 110.1° | 123.2° |
| O22 | S21 | C24 | 109.3° | 106.4° |
| O22 | S21 | N2 | 109.8° | 106.4° |
| O23 | S21 | C24 | 110.0° | 106.4° |
| O23 | S21 | N2 | 109.3° | 106.4° |
| C29 | C30 | C24 | 120.2° | 120.0° |
| C30 | C29 | C27 | 119.9° | 120.0° |
| C30 | C29 | H20 | 120.1° | 120.0° |
| C29 | C30 | H21 | 119.9° | 120.0° |
| C30 | C24 | S21 | 119.6° | 120.0° |
| C30 | C24 | C25 | 120.2° | 120.0° |
| C24 | C30 | H21 | 119.9° | 119.9° |
| C29 | C27 | F28 | 119.9° | 120.1° |
| C29 | C27 | C26 | 120.1° | 119.9° |
| C27 | C29 | H20 | 120.1° | 120.0° |
| C24 | S21 | N2 | 108.3° | 107.2° |
| S21 | C24 | C25 | 120.2° | 120.0° |
| S21 | N2 | C1 | 110.9° | 120.0° |
| S21 | N2 | C3 | 111.2° | 120.0° |
| C24 | C25 | C26 | 119.8° | 120.1° |
| C24 | C25 | H18 | 120.1° | 119.9° |
| F28 | C27 | C26 | 120.0° | 120.0° |
| C27 | C26 | C25 | 119.9° | 120.0° |
| C27 | C26 | H19 | 120.0° | 120.0° |
| C26 | C25 | H18 | 120.1° | 120.0° |
| C25 | C26 | H19 | 120.0° | 120.0° |
| C1 | N2 | C3 | 110.6° | 120.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.4° |
| N2 | C3 | C5 | 111.7° | 109.5° |
| N2 | C3 | C9 | 110.2° | 109.5° |
| N2 | C3 | H4 | 108.9° | 109.5° |
| C5 | C3 | C9 | 110.8° | 109.2° |
| C3 | C5 | C6 | 111.6° | 109.4° |
| C5 | C3 | H4 | 107.1° | 109.5° |
| C3 | C5 | H5 | 108.9° | 109.5° |
| C3 | C5 | H6 | 108.9° | 109.5° |
| C3 | C9 | C8 | 111.6° | 108.6° |
| C9 | C3 | H4 | 107.9° | 109.5° |
| C3 | C9 | H9 | 108.9° | 109.6° |
| C3 | C9 | H10 | 108.9° | 109.7° |
| C5 | C6 | C7 | 113.9° | 108.6° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C6 | C5 | H6 | 108.9° | 109.5° |
| C5 | C6 | H7 | 108.4° | 109.6° |
| C5 | C6 | H8 | 108.3° | 109.6° |
| C9 | C8 | C7 | 122.9° | 124.4° |
| C9 | C8 | C10 | 130.5° | 128.5° |
| C8 | C9 | H9 | 109.0° | 109.6° |
| C8 | C9 | H10 | 108.9° | 109.7° |
| C6 | C7 | C8 | 122.0° | 123.7° |
| C6 | C7 | N16 | 129.6° | 126.5° |
| C7 | C6 | H7 | 108.3° | 109.7° |
| C7 | C6 | H8 | 108.4° | 109.6° |
| C7 | C8 | C10 | 106.6° | 107.1° |
| C8 | C7 | N16 | 108.4° | 109.8° |
| C8 | C10 | C11 | 135.0° | 132.7° |
| C8 | C10 | C15 | 104.9° | 106.0° |
| C7 | N16 | C17 | 124.7° | 125.1° |
| C7 | N16 | C15 | 110.6° | 109.8° |
| C11 | C10 | C15 | 120.1° | 121.3° |
| C10 | C11 | C12 | 120.0° | 116.8° |
| C10 | C11 | H11 | 120.0° | 121.6° |
| C10 | C15 | N16 | 109.5° | 107.3° |
| C10 | C15 | C14 | 119.8° | 120.6° |
| C17 | N16 | C15 | 124.7° | 125.1° |
| N16 | C17 | C18 | 111.2° | 109.5° |
| N16 | C17 | H15 | 109.1° | 109.5° |
| N16 | C17 | H16 | 109.0° | 109.5° |
| N16 | C15 | C14 | 130.7° | 132.1° |
| O20 | C18 | C17 | 120.3° | 120.0° |
| O20 | C18 | O19 | 119.3° | 120.0° |
| C11 | C12 | C13 | 120.1° | 122.1° |
| C12 | C11 | H11 | 120.0° | 121.6° |
| C11 | C12 | H12 | 120.0° | 118.9° |
| C17 | C18 | O19 | 120.4° | 120.0° |
| C18 | C17 | H15 | 109.0° | 109.4° |
| C18 | C17 | H16 | 109.1° | 109.5° |
| C18 | O19 | H17 | 109.5° | 116.9° |
| C15 | C14 | C13 | 120.1° | 117.0° |
| C15 | C14 | H14 | 119.9° | 121.5° |
| C12 | C13 | C14 | 119.8° | 122.2° |
| C13 | C12 | H12 | 119.9° | 118.9° |
| C12 | C13 | H13 | 120.1° | 118.9° |
| C14 | C13 | H13 | 120.1° | 118.9° |
| C13 | C14 | H14 | 120.0° | 121.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.8° |
| H9 | C9 | H10 | 109.5° | 109.7° |
| H15 | C17 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | S21 | O23 | C24 | 120.5° | 122.9° |
| O22 | S21 | O23 | N2 | 120.7° | 123.0° |
| O22 | S21 | C24 | C30 | 32.7° | 156.2° |
| O22 | S21 | C24 | N2 | 119.6° | 113.5° |
| O22 | S21 | C24 | C25 | 147.9° | 23.5° |
| O22 | S21 | N2 | C1 | 45.3° | 156.5° |
| O22 | S21 | N2 | C3 | 168.9° | 23.5° |
| O23 | S21 | C24 | C30 | 153.7° | 23.3° |
| O23 | S21 | C24 | N2 | 119.4° | 113.6° |
| O23 | S21 | C24 | C25 | 26.9° | 156.4° |
| O23 | S21 | N2 | C1 | 166.1° | 23.5° |
| O23 | S21 | N2 | C3 | 70.3° | 156.5° |
| C29 | C30 | C24 | H21 | 180.0° | 179.5° |
| C30 | C29 | C27 | H20 | 180.0° | 179.7° |
| C29 | C30 | C24 | S21 | 179.7° | 179.8° |
| C29 | C30 | C24 | C25 | 0.3° | 0.5° |
| C30 | C29 | C27 | F28 | 180.0° | 179.8° |
| C30 | C29 | C27 | C26 | 0.1° | 0.2° |
| C24 | C30 | C29 | C27 | 0.1° | 0.5° |
| C30 | C24 | S21 | C25 | 179.4° | 179.7° |
| C30 | C24 | S21 | N2 | 86.9° | 90.3° |
| C30 | C24 | C25 | C26 | 0.2° | 0.3° |
| C30 | C24 | C25 | H18 | 179.8° | 179.8° |
| C24 | C30 | C29 | H20 | 179.9° | 179.8° |
| C29 | C27 | F28 | C26 | 179.9° | 180.0° |
| C29 | C27 | C26 | C25 | 0.1° | 0.0° |
| C29 | C27 | C26 | H19 | 179.9° | 180.0° |
| C27 | C29 | C30 | H21 | 179.9° | 180.0° |
| S21 | C24 | C25 | C26 | 179.6° | 180.0° |
| C24 | S21 | N2 | C1 | 74.1° | 90.0° |
| C24 | S21 | N2 | C3 | 49.6° | 90.0° |
| S21 | C24 | C25 | H18 | 0.4° | 0.1° |
| S21 | C24 | C30 | H21 | 0.3° | 0.3° |
| N2 | S21 | C24 | C25 | 92.5° | 90.0° |
| S21 | N2 | C1 | C3 | 124.0° | 180.0° |
| S21 | N2 | C3 | C5 | 92.0° | 120.0° |
| S21 | N2 | C3 | C9 | 144.4° | 120.2° |
| S21 | N2 | C1 | H1 | 180.0° | 90.0° |
| S21 | N2 | C1 | H2 | 60.0° | 30.0° |
| S21 | N2 | C1 | H3 | 60.0° | 150.0° |
| S21 | N2 | C3 | H4 | 26.2° | 0.1° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H18 | 180.0° | 180.0° |
| C24 | C25 | C26 | H19 | 180.0° | 180.0° |
| C25 | C24 | C30 | H21 | 179.7° | 180.0° |
| F28 | C27 | C26 | C25 | 180.0° | 180.0° |
| F28 | C27 | C26 | H19 | 0.0° | 0.0° |
| F28 | C27 | C29 | H20 | 0.0° | 0.0° |
| C27 | C26 | C25 | H19 | 180.0° | 180.0° |
| C27 | C26 | C25 | H18 | 180.0° | 180.0° |
| C26 | C27 | C29 | H20 | 179.9° | 180.0° |
| C1 | N2 | C3 | C5 | 31.8° | 60.0° |
| C1 | N2 | C3 | C9 | 91.8° | 59.8° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H4 | 150.0° | 179.9° |
| N2 | C3 | C5 | C9 | 123.3° | 119.9° |
| N2 | C3 | C5 | H4 | 119.2° | 120.1° |
| N2 | C3 | C9 | H4 | 118.8° | 120.1° |
| N2 | C3 | C5 | C6 | 175.9° | 170.0° |
| N2 | C3 | C9 | C8 | 171.4° | 169.7° |
| C3 | N2 | C1 | H1 | 56.0° | 90.0° |
| C3 | N2 | C1 | H2 | 176.1° | 150.0° |
| C3 | N2 | C1 | H3 | 64.0° | 30.0° |
| N2 | C3 | C5 | H5 | 63.8° | 70.0° |
| N2 | C3 | C5 | H6 | 55.5° | 50.1° |
| N2 | C3 | C9 | H9 | 68.3° | 70.6° |
| N2 | C3 | C9 | H10 | 51.1° | 49.9° |
| C5 | C3 | C9 | H4 | 117.0° | 120.0° |
| C3 | C5 | C6 | H5 | 120.3° | 120.0° |
| C3 | C5 | C6 | H6 | 120.3° | 119.9° |
| C5 | C3 | C9 | C8 | 47.2° | 49.8° |
| C3 | C5 | C6 | C7 | 41.1° | 50.2° |
| C3 | C5 | H5 | H6 | 119.0° | 120.0° |
| C3 | C5 | C6 | H7 | 161.8° | 170.0° |
| C3 | C5 | C6 | H8 | 79.5° | 69.5° |
| C5 | C3 | C9 | H9 | 167.5° | 169.5° |
| C5 | C3 | C9 | H10 | 73.1° | 70.0° |
| C9 | C3 | C5 | C6 | 60.8° | 70.1° |
| C3 | C9 | C8 | H9 | 120.3° | 119.7° |
| C3 | C9 | C8 | H10 | 120.3° | 119.8° |
| C3 | C9 | C8 | C7 | 18.0° | 16.6° |
| C3 | C9 | C8 | C10 | 160.9° | 163.4° |
| C9 | C3 | C5 | H5 | 59.5° | 49.9° |
| C9 | C3 | C5 | H6 | 178.9° | 170.0° |
| C3 | C9 | H9 | H10 | 119.0° | 120.4° |
| C5 | C6 | C7 | H7 | 120.7° | 119.7° |
| C5 | C6 | C7 | H8 | 120.7° | 119.7° |
| C5 | C6 | C7 | C8 | 11.3° | 16.8° |
| C5 | C6 | C7 | N16 | 167.9° | 163.2° |
| C6 | C5 | C3 | H4 | 56.7° | 49.9° |
| C6 | C5 | H5 | H6 | 119.0° | 120.0° |
| C5 | C6 | H7 | H8 | 118.0° | 120.4° |
| C9 | C8 | C7 | C6 | 1.1° | 0.1° |
| C9 | C8 | C7 | C10 | 179.1° | 180.0° |
| C9 | C8 | C7 | N16 | 179.6° | 179.9° |
| C9 | C8 | C10 | C11 | 0.7° | 0.1° |
| C9 | C8 | C10 | C15 | 179.5° | 179.9° |
| C8 | C9 | C3 | H4 | 69.8° | 70.2° |
| C8 | C9 | H9 | H10 | 119.0° | 120.5° |
| C6 | C7 | C8 | N16 | 179.4° | 180.0° |
| C6 | C7 | C8 | C10 | 179.8° | 179.9° |
| C6 | C7 | N16 | C17 | 0.4° | 0.0° |
| C6 | C7 | N16 | C15 | 179.6° | 180.0° |
| C7 | C6 | C5 | H5 | 79.2° | 69.8° |
| C7 | C6 | C5 | H6 | 161.5° | 170.1° |
| C7 | C6 | H7 | H8 | 118.0° | 120.5° |
| C7 | C8 | C10 | C11 | 179.7° | 179.9° |
| C7 | C8 | C10 | C15 | 0.5° | 0.1° |
| C8 | C7 | N16 | C17 | 179.7° | 180.0° |
| C8 | C7 | N16 | C15 | 0.3° | 0.0° |
| C8 | C7 | C6 | H7 | 132.0° | 136.5° |
| C8 | C7 | C6 | H8 | 109.4° | 102.9° |
| C7 | C8 | C9 | H9 | 138.3° | 136.2° |
| C7 | C8 | C9 | H10 | 102.3° | 103.2° |
| C10 | C8 | C7 | N16 | 0.4° | 0.1° |
| C8 | C10 | C11 | C15 | 179.8° | 180.0° |
| C8 | C10 | C15 | N16 | 0.3° | 0.1° |
| C8 | C10 | C11 | C12 | 179.8° | 179.9° |
| C8 | C10 | C15 | C14 | 180.0° | 179.9° |
| C10 | C8 | C9 | H9 | 40.6° | 43.8° |
| C10 | C8 | C9 | H10 | 78.8° | 76.8° |
| C8 | C10 | C11 | H11 | 0.2° | 0.1° |
| C7 | N16 | C15 | C10 | 0.0° | 0.0° |
| C7 | N16 | C17 | C15 | 180.0° | 180.0° |
| C7 | N16 | C17 | C18 | 110.2° | 90.0° |
| C7 | N16 | C15 | C14 | 179.7° | 180.0° |
| N16 | C7 | C6 | H7 | 47.3° | 43.5° |
| N16 | C7 | C6 | H8 | 71.4° | 77.1° |
| C7 | N16 | C17 | H15 | 129.5° | 150.0° |
| C7 | N16 | C17 | H16 | 10.0° | 30.0° |
| C11 | C10 | C15 | N16 | 179.9° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C15 | N16 | C17 | 180.0° | 180.0° |
| C10 | C15 | N16 | C14 | 179.7° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | C10 | C11 | H11 | 180.0° | 179.9° |
| C10 | C15 | C14 | H14 | 179.8° | 180.0° |
| N16 | C17 | C18 | O20 | 12.5° | 0.1° |
| N16 | C17 | C18 | H15 | 120.3° | 120.0° |
| N16 | C17 | C18 | H16 | 120.2° | 120.0° |
| N16 | C17 | C18 | O19 | 167.8° | 180.0° |
| C17 | N16 | C15 | C14 | 0.2° | 0.0° |
| N16 | C17 | H15 | H16 | 119.2° | 120.0° |
| C15 | N16 | C17 | C18 | 69.8° | 90.0° |
| N16 | C15 | C14 | C13 | 179.8° | 180.0° |
| N16 | C15 | C14 | H14 | 0.2° | 0.1° |
| C15 | N16 | C17 | H15 | 50.5° | 30.0° |
| C15 | N16 | C17 | H16 | 170.0° | 150.0° |
| O20 | C18 | C17 | O19 | 179.7° | 179.9° |
| O20 | C18 | C17 | H15 | 107.8° | 120.1° |
| O20 | C18 | C17 | H16 | 132.8° | 119.9° |
| O20 | C18 | O19 | H17 | 0.0° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C18 | C17 | H15 | H16 | 119.2° | 120.0° |
| C17 | C18 | O19 | H17 | 179.7° | 180.0° |
| O19 | C18 | C17 | H15 | 71.9° | 60.0° |
| O19 | C18 | C17 | H16 | 47.5° | 60.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C5 | H5 | 177.0° | 169.8° |
| H4 | C3 | C5 | H6 | 63.7° | 70.1° |
| H4 | C3 | C9 | H9 | 50.5° | 49.5° |
| H4 | C3 | C9 | H10 | 169.9° | 170.0° |
| H5 | C5 | C6 | H7 | 41.5° | 50.0° |
| H5 | C5 | C6 | H8 | 160.2° | 170.5° |
| H6 | C5 | C6 | H7 | 77.9° | 70.1° |
| H6 | C5 | C6 | H8 | 40.8° | 50.4° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H13 | C13 | C14 | H14 | 0.1° | 0.1° |
| H18 | C25 | C26 | H19 | 0.0° | 0.0° |
| H20 | C29 | C30 | H21 | 0.1° | 0.3° |
