F1S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | S30 | doub | 1.42Å | 1.50Å | |
| O33 | S30 | doub | 1.42Å | 1.50Å | |
| S30 | N27 | sing | 1.66Å | 1.63Å | |
| S30 | C31 | sing | 1.81Å | 1.78Å | |
| N27 | C26 | sing | 1.40Å | 1.33Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C5 | sing | 1.51Å | 1.54Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O18 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| CL2 | C21 | sing | 1.74Å | 1.73Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | N28 | sing | 1.39Å | 1.35Å | |
| C24 | N28 | sing | 1.40Å | 1.35Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.40Å | |
| N22 | C23 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | N12 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| N12 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| N8 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N14 | sing | 1.38Å | 1.32Å | |
| C11 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | N10 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C13 | sing | 1.51Å | 1.52Å | |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| N27 | H4 | sing | 0.97Å | 1.00Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| N28 | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N14 | H22 | sing | 0.97Å | 1.00Å | |
| N14 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | S30 | O33 | 109.5° | 121.1° |
| O32 | S30 | N27 | 108.1° | 104.3° |
| O32 | S30 | C31 | 110.1° | 110.5° |
| O33 | S30 | N27 | 108.3° | 104.3° |
| O33 | S30 | C31 | 110.1° | 110.6° |
| N27 | S30 | C31 | 110.7° | 104.4° |
| S30 | N27 | C26 | 122.0° | 120.0° |
| S30 | N27 | H4 | 106.2° | 120.0° |
| S30 | C31 | H1 | 109.5° | 109.5° |
| S30 | C31 | H2 | 109.5° | 109.5° |
| S30 | C31 | H3 | 109.5° | 109.5° |
| N27 | C26 | C25 | 121.3° | 120.5° |
| N27 | C26 | C21 | 119.0° | 120.4° |
| C26 | N27 | H4 | 106.3° | 120.0° |
| C16 | C17 | O18 | 105.7° | 109.4° |
| C17 | C16 | C15 | 109.9° | 109.2° |
| C17 | C16 | H10 | 109.4° | 109.5° |
| C17 | C16 | H11 | 109.4° | 109.6° |
| C16 | C17 | H12 | 110.4° | 109.5° |
| C16 | C17 | H13 | 110.4° | 109.6° |
| C17 | O18 | C19 | 110.6° | 114.1° |
| O18 | C17 | H12 | 110.4° | 109.4° |
| O18 | C17 | H13 | 110.4° | 109.4° |
| C16 | C15 | C5 | 112.0° | 109.5° |
| C16 | C15 | C20 | 110.3° | 109.0° |
| C16 | C15 | H9 | 108.3° | 109.6° |
| C15 | C16 | H10 | 109.4° | 109.5° |
| C15 | C16 | H11 | 109.3° | 109.6° |
| C25 | C26 | C21 | 119.6° | 119.1° |
| C26 | C25 | C24 | 119.0° | 118.3° |
| C26 | C25 | H5 | 120.5° | 120.8° |
| C26 | C21 | CL2 | 120.6° | 119.6° |
| C26 | C21 | N22 | 120.1° | 120.7° |
| C5 | C15 | C20 | 109.4° | 109.6° |
| C15 | C5 | C6 | 118.8° | 120.3° |
| C15 | C5 | C4 | 121.7° | 120.2° |
| C5 | C15 | H9 | 108.3° | 109.6° |
| C15 | C20 | C19 | 108.3° | 109.2° |
| C20 | C15 | H9 | 108.4° | 109.6° |
| C15 | C20 | H16 | 109.7° | 109.5° |
| C15 | C20 | H17 | 109.8° | 109.5° |
| O18 | C19 | C20 | 107.4° | 109.4° |
| O18 | C19 | H14 | 110.0° | 109.5° |
| O18 | C19 | H15 | 110.0° | 109.4° |
| C20 | C19 | H14 | 110.0° | 109.5° |
| C20 | C19 | H15 | 110.0° | 109.5° |
| C19 | C20 | H16 | 109.8° | 109.6° |
| C19 | C20 | H17 | 109.7° | 109.5° |
| C5 | C6 | N1 | 120.7° | 121.2° |
| C6 | C5 | C4 | 119.5° | 119.5° |
| C5 | C6 | H8 | 119.7° | 119.4° |
| C6 | N1 | C2 | 122.4° | 121.7° |
| N1 | C6 | H8 | 119.6° | 119.4° |
| C25 | C24 | N28 | 123.8° | 120.5° |
| C25 | C24 | C23 | 118.0° | 119.1° |
| C24 | C25 | H5 | 120.5° | 120.8° |
| CL2 | C21 | N22 | 119.3° | 119.6° |
| C5 | C4 | C3 | 118.8° | 118.4° |
| C5 | C4 | H18 | 120.6° | 120.9° |
| N1 | C2 | C3 | 119.5° | 120.4° |
| N1 | C2 | N28 | 119.8° | 119.8° |
| C21 | N22 | C23 | 121.4° | 121.9° |
| C4 | C3 | C2 | 119.1° | 118.8° |
| C4 | C3 | C7 | 119.7° | 120.6° |
| C3 | C4 | H18 | 120.6° | 120.8° |
| C3 | C2 | N28 | 120.6° | 119.8° |
| C2 | C3 | C7 | 121.2° | 120.6° |
| C2 | N28 | C24 | 124.9° | 120.0° |
| C2 | N28 | H7 | 117.6° | 120.0° |
| N28 | C24 | C23 | 118.3° | 120.4° |
| C24 | N28 | H7 | 117.6° | 119.9° |
| C24 | C23 | N22 | 121.9° | 120.8° |
| C24 | C23 | H6 | 119.1° | 119.6° |
| C3 | C7 | N12 | 121.7° | 120.1° |
| C3 | C7 | N8 | 119.0° | 120.1° |
| N22 | C23 | H6 | 119.0° | 119.6° |
| N12 | C7 | N8 | 119.3° | 119.8° |
| C7 | N12 | C11 | 119.8° | 119.8° |
| C7 | N8 | C9 | 121.1° | 120.1° |
| N12 | C11 | N14 | 120.2° | 120.0° |
| N12 | C11 | N10 | 120.6° | 120.0° |
| N8 | C9 | N10 | 119.6° | 120.2° |
| N8 | C9 | C13 | 119.4° | 119.9° |
| N14 | C11 | N10 | 119.2° | 120.0° |
| C11 | N14 | H22 | 109.5° | 120.0° |
| C11 | N14 | H23 | 109.5° | 120.0° |
| C11 | N10 | C9 | 119.7° | 120.1° |
| N10 | C9 | C13 | 121.0° | 119.9° |
| C9 | C13 | H19 | 109.5° | 109.4° |
| C9 | C13 | H20 | 109.5° | 109.4° |
| C9 | C13 | H21 | 109.4° | 109.4° |
| H1 | C31 | H2 | 109.5° | 109.4° |
| H1 | C31 | H3 | 109.4° | 109.4° |
| H2 | C31 | H3 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.4° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.6° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| H22 | N14 | H23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | S30 | O33 | N27 | 117.7° | 116.8° |
| O32 | S30 | O33 | C31 | 121.2° | 131.5° |
| O32 | S30 | N27 | C31 | 120.7° | 116.0° |
| O32 | S30 | N27 | C26 | 161.6° | 51.0° |
| O32 | S30 | C31 | H1 | 180.0° | 171.6° |
| O32 | S30 | C31 | H2 | 60.0° | 68.4° |
| O32 | S30 | C31 | H3 | 60.0° | 51.6° |
| O32 | S30 | N27 | H4 | 76.7° | 128.9° |
| O33 | S30 | N27 | C31 | 120.7° | 116.1° |
| O33 | S30 | N27 | C26 | 79.8° | 178.9° |
| O33 | S30 | C31 | H1 | 59.2° | 51.6° |
| O33 | S30 | C31 | H2 | 179.2° | 68.4° |
| O33 | S30 | C31 | H3 | 60.8° | 171.6° |
| O33 | S30 | N27 | H4 | 41.9° | 1.0° |
| S30 | N27 | C26 | H4 | 121.7° | 179.9° |
| S30 | N27 | C26 | C25 | 43.9° | 35.0° |
| S30 | N27 | C26 | C21 | 136.9° | 145.3° |
| N27 | S30 | C31 | H1 | 60.5° | 60.0° |
| N27 | S30 | C31 | H2 | 59.5° | 180.0° |
| N27 | S30 | C31 | H3 | 179.5° | 60.0° |
| C31 | S30 | N27 | C26 | 40.9° | 65.0° |
| S30 | C31 | H1 | H2 | 120.0° | 120.0° |
| S30 | C31 | H1 | H3 | 120.0° | 120.1° |
| S30 | C31 | H2 | H3 | 120.0° | 120.1° |
| C31 | S30 | N27 | H4 | 162.7° | 115.1° |
| N27 | C26 | C25 | C21 | 179.1° | 179.7° |
| N27 | C26 | C25 | C24 | 179.6° | 180.0° |
| N27 | C26 | C21 | CL2 | 0.2° | 0.0° |
| N27 | C26 | C21 | N22 | 179.9° | 180.0° |
| N27 | C26 | C25 | H5 | 0.4° | 0.0° |
| C16 | C17 | O18 | H12 | 119.4° | 120.0° |
| C16 | C17 | O18 | H13 | 119.4° | 120.1° |
| C17 | C16 | C15 | H10 | 120.1° | 119.9° |
| C17 | C16 | C15 | H11 | 120.1° | 120.0° |
| C17 | C16 | C15 | C5 | 176.0° | 176.8° |
| C17 | C16 | C15 | C20 | 53.8° | 57.0° |
| C16 | C17 | O18 | C19 | 69.6° | 61.1° |
| C17 | C16 | C15 | H9 | 64.6° | 63.0° |
| C17 | C16 | H10 | H11 | 119.8° | 120.1° |
| C16 | C17 | H12 | H13 | 121.8° | 120.1° |
| O18 | C17 | C16 | C15 | 59.4° | 57.6° |
| C17 | O18 | C19 | C20 | 71.3° | 61.1° |
| O18 | C17 | C16 | H10 | 60.7° | 177.5° |
| O18 | C17 | C16 | H11 | 179.5° | 62.4° |
| O18 | C17 | H12 | H13 | 121.7° | 119.9° |
| C17 | O18 | C19 | H14 | 48.4° | 58.8° |
| C17 | O18 | C19 | H15 | 169.1° | 178.9° |
| C16 | C15 | C5 | C20 | 122.7° | 119.5° |
| C16 | C15 | C5 | H9 | 119.3° | 120.2° |
| C16 | C15 | C20 | H9 | 118.4° | 119.9° |
| C16 | C15 | C20 | C19 | 53.4° | 57.0° |
| C16 | C15 | C5 | C6 | 150.9° | 59.6° |
| C16 | C15 | C5 | C4 | 29.9° | 120.5° |
| C15 | C16 | H10 | H11 | 119.8° | 120.2° |
| C15 | C16 | C17 | H12 | 60.0° | 62.3° |
| C15 | C16 | C17 | H13 | 178.8° | 177.6° |
| C16 | C15 | C20 | H16 | 66.4° | 63.0° |
| C16 | C15 | C20 | H17 | 173.2° | 176.9° |
| C26 | C25 | C24 | H5 | 180.0° | 180.0° |
| C25 | C26 | C21 | CL2 | 179.3° | 179.8° |
| C25 | C26 | C21 | N22 | 0.7° | 0.3° |
| C26 | C25 | C24 | N28 | 179.5° | 180.0° |
| C26 | C25 | C24 | C23 | 1.3° | 0.1° |
| C25 | C26 | N27 | H4 | 77.8° | 144.9° |
| C21 | C26 | C25 | C24 | 1.3° | 0.3° |
| C26 | C21 | CL2 | N22 | 179.9° | 179.9° |
| C26 | C21 | N22 | C23 | 0.3° | 0.0° |
| C21 | C26 | N27 | H4 | 101.4° | 34.8° |
| C21 | C26 | C25 | H5 | 178.7° | 179.7° |
| C5 | C15 | C20 | H9 | 118.0° | 120.2° |
| C5 | C15 | C20 | C19 | 177.0° | 176.8° |
| C15 | C5 | C6 | C4 | 179.2° | 179.9° |
| C15 | C5 | C6 | N1 | 179.4° | 180.0° |
| C15 | C5 | C4 | C3 | 179.7° | 180.0° |
| C15 | C5 | C6 | H8 | 0.6° | 0.1° |
| C5 | C15 | C16 | H10 | 55.9° | 63.3° |
| C5 | C15 | C16 | H11 | 63.9° | 56.8° |
| C5 | C15 | C20 | H16 | 57.2° | 56.9° |
| C5 | C15 | C20 | H17 | 63.2° | 63.3° |
| C15 | C5 | C4 | H18 | 0.3° | 0.1° |
| C15 | C20 | C19 | O18 | 60.4° | 57.6° |
| C15 | C20 | C19 | H16 | 119.8° | 119.9° |
| C15 | C20 | C19 | H17 | 119.8° | 119.9° |
| C20 | C15 | C5 | C6 | 86.4° | 59.9° |
| C20 | C15 | C5 | C4 | 92.7° | 120.0° |
| C20 | C15 | C16 | H10 | 66.2° | 176.9° |
| C20 | C15 | C16 | H11 | 173.9° | 63.0° |
| C15 | C20 | C19 | H14 | 59.3° | 62.3° |
| C15 | C20 | C19 | H15 | 179.9° | 177.6° |
| C15 | C20 | H16 | H17 | 120.5° | 120.1° |
| O18 | C19 | C20 | H14 | 119.7° | 120.0° |
| O18 | C19 | C20 | H15 | 119.7° | 119.9° |
| C19 | O18 | C17 | H12 | 49.8° | 58.9° |
| C19 | O18 | C17 | H13 | 171.0° | 178.8° |
| O18 | C19 | H14 | H15 | 121.0° | 120.0° |
| O18 | C19 | C20 | H16 | 59.4° | 62.3° |
| O18 | C19 | C20 | H17 | 179.8° | 177.5° |
| C19 | C20 | C15 | H9 | 65.0° | 62.9° |
| C20 | C19 | H14 | H15 | 120.9° | 120.1° |
| C19 | C20 | H16 | H17 | 120.5° | 120.2° |
| C5 | C6 | N1 | H8 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C6 | C5 | C15 | H9 | 31.6° | 179.8° |
| C6 | C5 | C4 | H18 | 179.4° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | N1 | C2 | C3 | 0.7° | 0.0° |
| C6 | N1 | C2 | N28 | 179.8° | 179.7° |
| C25 | C24 | N28 | C2 | 26.5° | 153.4° |
| C25 | C24 | N28 | C23 | 179.2° | 180.0° |
| C25 | C24 | C23 | N22 | 0.9° | 0.2° |
| C25 | C24 | C23 | H6 | 179.1° | 180.0° |
| C25 | C24 | N28 | H7 | 153.5° | 26.6° |
| CL2 | C21 | N22 | C23 | 179.8° | 180.0° |
| C5 | C4 | C3 | H18 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | C7 | 179.7° | 179.7° |
| C4 | C5 | C6 | H8 | 179.7° | 180.0° |
| C4 | C5 | C15 | H9 | 149.3° | 0.2° |
| N1 | C2 | C3 | C4 | 0.4° | 0.0° |
| N1 | C2 | C3 | N28 | 179.6° | 179.7° |
| N1 | C2 | N28 | C24 | 14.2° | 5.2° |
| N1 | C2 | C3 | C7 | 179.7° | 179.7° |
| N1 | C2 | N28 | H7 | 165.8° | 174.7° |
| C2 | N1 | C6 | H8 | 179.7° | 179.9° |
| C21 | N22 | C23 | C24 | 0.3° | 0.2° |
| C21 | N22 | C23 | H6 | 179.7° | 180.0° |
| C4 | C3 | C2 | C7 | 179.9° | 179.7° |
| C4 | C3 | C2 | N28 | 180.0° | 179.7° |
| C4 | C3 | C7 | N12 | 0.6° | 49.3° |
| C4 | C3 | C7 | N8 | 179.6° | 131.0° |
| C3 | C2 | N28 | C24 | 166.2° | 174.4° |
| C2 | C3 | C7 | N12 | 179.5° | 130.4° |
| C2 | C3 | C7 | N8 | 0.3° | 49.3° |
| C3 | C2 | N28 | H7 | 13.8° | 5.6° |
| C2 | C3 | C4 | H18 | 179.8° | 179.9° |
| C2 | N28 | C24 | H7 | 180.0° | 180.0° |
| C2 | N28 | C24 | C23 | 154.3° | 26.6° |
| N28 | C2 | C3 | C7 | 0.2° | 0.0° |
| N28 | C24 | C23 | N22 | 179.9° | 179.8° |
| N28 | C24 | C25 | H5 | 0.5° | 0.0° |
| N28 | C24 | C23 | H6 | 0.1° | 0.0° |
| C24 | C23 | N22 | H6 | 180.0° | 179.7° |
| C23 | C24 | C25 | H5 | 178.7° | 180.0° |
| C23 | C24 | N28 | H7 | 25.7° | 153.4° |
| C3 | C7 | N12 | N8 | 179.8° | 179.7° |
| C3 | C7 | N12 | C11 | 180.0° | 180.0° |
| C3 | C7 | N8 | C9 | 179.8° | 180.0° |
| C7 | C3 | C4 | H18 | 0.4° | 0.3° |
| N12 | C7 | N8 | C9 | 0.4° | 0.3° |
| C7 | N12 | C11 | N14 | 180.0° | 180.0° |
| C7 | N12 | C11 | N10 | 0.2° | 0.0° |
| N8 | C7 | N12 | C11 | 0.2° | 0.3° |
| C7 | N8 | C9 | N10 | 0.2° | 0.0° |
| C7 | N8 | C9 | C13 | 179.8° | 180.0° |
| N12 | C11 | N14 | N10 | 179.8° | 180.0° |
| N12 | C11 | N10 | C9 | 0.4° | 0.3° |
| N12 | C11 | N14 | H22 | 0.0° | 0.0° |
| N12 | C11 | N14 | H23 | 120.0° | 180.0° |
| N8 | C9 | N10 | C11 | 0.2° | 0.3° |
| N8 | C9 | N10 | C13 | 180.0° | 180.0° |
| N8 | C9 | C13 | H19 | 0.0° | 90.0° |
| N8 | C9 | C13 | H20 | 120.0° | 150.0° |
| N8 | C9 | C13 | H21 | 120.0° | 30.0° |
| N14 | C11 | N10 | C9 | 179.9° | 179.7° |
| C11 | N14 | H22 | H23 | 120.0° | 180.0° |
| C11 | N10 | C9 | C13 | 179.9° | 179.7° |
| N10 | C11 | N14 | H22 | 179.8° | 180.0° |
| N10 | C11 | N14 | H23 | 59.8° | 0.0° |
| N10 | C9 | C13 | H19 | 179.9° | 90.0° |
| N10 | C9 | C13 | H20 | 60.0° | 30.0° |
| N10 | C9 | C13 | H21 | 59.9° | 150.0° |
| C9 | C13 | H19 | H20 | 120.0° | 119.9° |
| C9 | C13 | H19 | H21 | 120.0° | 119.9° |
| C9 | C13 | H20 | H21 | 119.9° | 119.9° |
| H1 | C31 | H2 | H3 | 120.0° | 119.9° |
| H9 | C15 | C16 | H10 | 175.3° | 57.0° |
| H9 | C15 | C16 | H11 | 55.4° | 177.1° |
| H9 | C15 | C20 | H16 | 175.2° | 177.1° |
| H9 | C15 | C20 | H17 | 54.8° | 57.0° |
| H10 | C16 | C17 | H12 | 179.9° | 57.6° |
| H10 | C16 | C17 | H13 | 58.8° | 62.5° |
| H11 | C16 | C17 | H12 | 60.1° | 177.7° |
| H11 | C16 | C17 | H13 | 61.1° | 57.6° |
| H14 | C19 | C20 | H16 | 179.1° | 177.7° |
| H14 | C19 | C20 | H17 | 60.6° | 57.5° |
| H15 | C19 | C20 | H16 | 60.3° | 57.7° |
| H15 | C19 | C20 | H17 | 60.1° | 62.6° |
| H19 | C13 | H20 | H21 | 120.0° | 120.1° |
