FB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S1 | doub | 1.42Å | 1.44Å | |
| C13 | S1 | sing | 1.81Å | 1.75Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | C12 | sing | 1.76Å | 1.77Å | |
| C14 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N3 | sing | 1.40Å | 1.42Å | |
| N3 | C8 | sing | 1.39Å | 1.38Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C8 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| C8 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C5 | doub | 1.33Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | N5 | sing | 1.47Å | 1.48Å | |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| N5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| N5 | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | N1 | doub | 1.31Å | 1.33Å | Aromatic |
| C3 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S1 | C13 | 108.5° | 110.6° |
| O1 | S1 | O2 | 117.7° | 121.0° |
| O1 | S1 | C12 | 108.5° | 104.2° |
| C13 | S1 | O2 | 108.8° | 110.6° |
| C13 | S1 | C12 | 105.6° | 104.5° |
| S1 | C13 | H7 | 109.5° | 109.5° |
| S1 | C13 | H8 | 109.4° | 109.5° |
| S1 | C13 | H9 | 109.5° | 109.5° |
| O2 | S1 | C12 | 107.1° | 104.2° |
| S1 | C12 | C14 | 121.4° | 119.9° |
| S1 | C12 | C11 | 118.4° | 119.9° |
| C12 | C14 | C15 | 119.7° | 120.1° |
| C14 | C12 | C11 | 120.2° | 120.2° |
| C12 | C14 | H2 | 120.1° | 120.0° |
| C14 | C15 | C9 | 121.0° | 119.9° |
| C15 | C14 | H2 | 120.2° | 120.0° |
| C14 | C15 | H19 | 119.5° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H4 | 120.0° | 120.0° |
| C15 | C9 | C10 | 118.1° | 119.9° |
| C15 | C9 | N3 | 120.6° | 120.0° |
| C9 | C15 | H19 | 119.5° | 120.0° |
| C11 | C10 | C9 | 121.1° | 119.9° |
| C10 | C11 | H4 | 120.0° | 119.9° |
| C11 | C10 | H6 | 119.5° | 120.1° |
| C10 | C9 | N3 | 121.3° | 120.1° |
| C9 | C10 | H6 | 119.5° | 120.0° |
| C9 | N3 | C8 | 132.7° | 120.0° |
| C9 | N3 | H14 | 113.6° | 120.0° |
| N3 | C8 | N2 | 112.4° | 119.1° |
| N3 | C8 | N4 | 123.9° | 119.2° |
| C8 | N3 | H14 | 113.7° | 120.0° |
| C18 | C16 | C17 | 114.0° | 109.5° |
| C18 | C16 | N5 | 111.7° | 109.5° |
| C18 | C16 | H21 | 106.7° | 109.5° |
| C16 | C18 | H25 | 109.5° | 109.5° |
| C16 | C18 | H26 | 109.5° | 109.5° |
| C16 | C18 | H27 | 109.5° | 109.5° |
| N2 | C8 | N4 | 123.7° | 121.7° |
| C8 | N2 | C7 | 117.4° | 121.0° |
| C8 | N4 | C5 | 117.8° | 120.6° |
| N2 | C7 | C6 | 123.0° | 119.4° |
| N2 | C7 | H5 | 118.5° | 120.4° |
| N4 | C5 | C6 | 121.3° | 118.9° |
| N4 | C5 | C4 | 118.3° | 120.5° |
| C17 | C16 | N5 | 110.0° | 109.4° |
| C17 | C16 | H21 | 106.8° | 109.4° |
| C16 | C17 | H22 | 109.5° | 109.4° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H24 | 109.5° | 109.4° |
| C16 | N5 | C4 | 126.6° | 126.4° |
| C16 | N5 | C2 | 125.9° | 126.5° |
| N5 | C16 | H21 | 107.2° | 109.4° |
| C7 | C6 | C5 | 116.8° | 118.4° |
| C7 | C6 | H3 | 121.6° | 120.8° |
| C6 | C7 | H5 | 118.5° | 120.3° |
| C6 | C5 | C4 | 120.5° | 120.5° |
| C5 | C6 | H3 | 121.6° | 120.8° |
| C5 | C4 | N5 | 127.5° | 126.8° |
| C5 | C4 | C3 | 125.8° | 126.8° |
| C4 | N5 | C2 | 107.4° | 107.1° |
| N5 | C4 | C3 | 106.7° | 106.5° |
| N5 | C2 | C1 | 126.6° | 125.5° |
| N5 | C2 | N1 | 108.4° | 109.1° |
| C4 | C3 | N1 | 106.9° | 107.8° |
| C4 | C3 | H12 | 126.5° | 126.1° |
| C1 | C2 | N1 | 125.0° | 125.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | N1 | C3 | 109.2° | 109.6° |
| N1 | C3 | H12 | 126.5° | 126.0° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H22 | C17 | H24 | 109.5° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H27 | 109.4° | 109.5° |
| H26 | C18 | H27 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S1 | C13 | O2 | 129.1° | 136.8° |
| O1 | S1 | C13 | C12 | 116.2° | 111.6° |
| O1 | S1 | O2 | C12 | 122.4° | 116.7° |
| O1 | S1 | C12 | C14 | 83.2° | 153.9° |
| O1 | S1 | C12 | C11 | 95.9° | 26.2° |
| O1 | S1 | C13 | H7 | 180.0° | 171.6° |
| O1 | S1 | C13 | H8 | 60.0° | 51.6° |
| O1 | S1 | C13 | H9 | 60.0° | 68.4° |
| C13 | S1 | O2 | C12 | 113.7° | 111.7° |
| C13 | S1 | C12 | C14 | 33.0° | 90.0° |
| C13 | S1 | C12 | C11 | 147.9° | 90.0° |
| S1 | C13 | H7 | H8 | 120.0° | 120.1° |
| S1 | C13 | H7 | H9 | 120.0° | 120.0° |
| S1 | C13 | H8 | H9 | 120.0° | 120.0° |
| O2 | S1 | C12 | C14 | 148.8° | 26.1° |
| O2 | S1 | C12 | C11 | 32.1° | 154.0° |
| O2 | S1 | C13 | H7 | 50.9° | 51.6° |
| O2 | S1 | C13 | H8 | 170.9° | 171.6° |
| O2 | S1 | C13 | H9 | 69.1° | 68.4° |
| S1 | C12 | C14 | C11 | 179.1° | 179.9° |
| S1 | C12 | C14 | C15 | 178.5° | 179.9° |
| S1 | C12 | C11 | C10 | 179.4° | 180.0° |
| S1 | C12 | C14 | H2 | 1.5° | 0.2° |
| S1 | C12 | C11 | H4 | 0.6° | 0.1° |
| C12 | S1 | C13 | H7 | 63.8° | 60.0° |
| C12 | S1 | C13 | H8 | 56.2° | 60.0° |
| C12 | S1 | C13 | H9 | 176.2° | 180.0° |
| C12 | C14 | C15 | H2 | 180.0° | 179.7° |
| C12 | C14 | C15 | C9 | 1.1° | 0.1° |
| C14 | C12 | C11 | C10 | 0.3° | 0.0° |
| C14 | C12 | C11 | H4 | 179.7° | 180.0° |
| C12 | C14 | C15 | H19 | 178.9° | 180.0° |
| C15 | C14 | C12 | C11 | 0.5° | 0.0° |
| C14 | C15 | C9 | H19 | 180.0° | 179.9° |
| C14 | C15 | C9 | C10 | 0.8° | 0.1° |
| C14 | C15 | C9 | N3 | 179.9° | 180.0° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C11 | C12 | C14 | H2 | 179.5° | 179.7° |
| C12 | C11 | C10 | H6 | 179.4° | 180.0° |
| C15 | C9 | C10 | C11 | 0.0° | 0.1° |
| C15 | C9 | C10 | N3 | 179.3° | 179.9° |
| C15 | C9 | N3 | C8 | 171.3° | 145.6° |
| C9 | C15 | C14 | H2 | 178.9° | 179.8° |
| C15 | C9 | C10 | H6 | 180.0° | 179.9° |
| C15 | C9 | N3 | H14 | 8.7° | 34.5° |
| C11 | C10 | C9 | H6 | 180.0° | 180.0° |
| C11 | C10 | C9 | N3 | 179.3° | 180.0° |
| C10 | C9 | N3 | C8 | 9.4° | 34.3° |
| C9 | C10 | C11 | H4 | 179.4° | 180.0° |
| C10 | C9 | N3 | H14 | 170.6° | 145.6° |
| C10 | C9 | C15 | H19 | 179.2° | 180.0° |
| C9 | N3 | C8 | H14 | 180.0° | 179.9° |
| C9 | N3 | C8 | N2 | 167.8° | 5.5° |
| C9 | N3 | C8 | N4 | 13.8° | 174.2° |
| N3 | C9 | C10 | H6 | 0.7° | 0.0° |
| N3 | C9 | C15 | H19 | 0.1° | 0.0° |
| N3 | C8 | N2 | N4 | 178.4° | 179.7° |
| N3 | C8 | N2 | C7 | 179.3° | 180.0° |
| N3 | C8 | N4 | C5 | 179.9° | 179.7° |
| C18 | C16 | C17 | N5 | 126.4° | 120.0° |
| C18 | C16 | C17 | H21 | 117.6° | 120.1° |
| C18 | C16 | N5 | H21 | 116.6° | 120.1° |
| C18 | C16 | N5 | C4 | 124.8° | 69.0° |
| C18 | C16 | N5 | C2 | 58.6° | 111.0° |
| C18 | C16 | C17 | H22 | 180.0° | 59.4° |
| C18 | C16 | C17 | H23 | 60.0° | 179.5° |
| C18 | C16 | C17 | H24 | 60.0° | 60.5° |
| C16 | C18 | H25 | H26 | 120.0° | 120.0° |
| C16 | C18 | H25 | H27 | 120.0° | 120.0° |
| C16 | C18 | H26 | H27 | 120.0° | 120.0° |
| N2 | C8 | N4 | C5 | 1.8° | 0.5° |
| C8 | N2 | C7 | C6 | 0.5° | 0.0° |
| C8 | N2 | C7 | H5 | 179.5° | 180.0° |
| N2 | C8 | N3 | H14 | 12.2° | 174.5° |
| N4 | C8 | N2 | C7 | 0.9° | 0.3° |
| C8 | N4 | C5 | C6 | 2.4° | 0.5° |
| C8 | N4 | C5 | C4 | 179.4° | 179.8° |
| N4 | C8 | N3 | H14 | 166.2° | 5.7° |
| N2 | C7 | C6 | H5 | 180.0° | 179.9° |
| N2 | C7 | C6 | C5 | 1.0° | 0.0° |
| N2 | C7 | C6 | H3 | 178.9° | 180.0° |
| N4 | C5 | C6 | C7 | 2.0° | 0.2° |
| N4 | C5 | C6 | C4 | 178.2° | 179.7° |
| N4 | C5 | C4 | N5 | 24.7° | 173.4° |
| N4 | C5 | C4 | C3 | 156.2° | 6.3° |
| N4 | C5 | C6 | H3 | 178.0° | 179.7° |
| C17 | C16 | N5 | H21 | 115.7° | 119.9° |
| C17 | C16 | N5 | C4 | 107.5° | 171.0° |
| C17 | C16 | N5 | C2 | 69.0° | 9.0° |
| C16 | C17 | H22 | H23 | 120.0° | 120.1° |
| C16 | C17 | H22 | H24 | 120.0° | 119.9° |
| C16 | C17 | H23 | H24 | 120.0° | 120.0° |
| C17 | C16 | C18 | H25 | 180.0° | 64.2° |
| C17 | C16 | C18 | H26 | 60.0° | 175.8° |
| C17 | C16 | C18 | H27 | 60.0° | 55.8° |
| C16 | N5 | C4 | C5 | 1.6° | 0.2° |
| C16 | N5 | C4 | C2 | 177.1° | 180.0° |
| C16 | N5 | C4 | C3 | 179.2° | 180.0° |
| C16 | N5 | C2 | C1 | 6.3° | 0.2° |
| C16 | N5 | C2 | N1 | 174.3° | 179.8° |
| N5 | C16 | C17 | H22 | 53.6° | 179.4° |
| N5 | C16 | C17 | H23 | 173.6° | 60.5° |
| N5 | C16 | C17 | H24 | 66.4° | 59.5° |
| N5 | C16 | C18 | H25 | 54.6° | 55.8° |
| N5 | C16 | C18 | H26 | 65.5° | 64.2° |
| N5 | C16 | C18 | H27 | 174.6° | 175.8° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.8° | 179.9° |
| C6 | C5 | C4 | N5 | 157.1° | 6.3° |
| C6 | C5 | C4 | C3 | 22.0° | 174.0° |
| C5 | C6 | C7 | H5 | 179.0° | 180.0° |
| C5 | C4 | N5 | C3 | 179.3° | 179.7° |
| C5 | C4 | N5 | C2 | 178.6° | 179.7° |
| C5 | C4 | C3 | N1 | 174.3° | 180.0° |
| C4 | C5 | C6 | H3 | 0.2° | 0.0° |
| C5 | C4 | C3 | H12 | 5.8° | 0.0° |
| C4 | N5 | C2 | C1 | 170.8° | 179.8° |
| C4 | N5 | C2 | N1 | 8.6° | 0.2° |
| N5 | C4 | C3 | N1 | 5.0° | 0.2° |
| N5 | C4 | C3 | H12 | 175.0° | 179.8° |
| C4 | N5 | C16 | H21 | 8.2° | 51.1° |
| C2 | N5 | C4 | C3 | 2.1° | 0.0° |
| N5 | C2 | C1 | N1 | 179.4° | 179.5° |
| N5 | C2 | N1 | C3 | 12.0° | 0.4° |
| N5 | C2 | C1 | H15 | 179.4° | 80.8° |
| N5 | C2 | C1 | H16 | 59.3° | 39.2° |
| N5 | C2 | C1 | H17 | 60.6° | 159.2° |
| C2 | N5 | C16 | H21 | 175.3° | 129.0° |
| C4 | C3 | N1 | C2 | 10.6° | 0.4° |
| C4 | C3 | N1 | H12 | 180.0° | 180.0° |
| C1 | C2 | N1 | C3 | 167.4° | 180.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C2 | N1 | C3 | H12 | 169.4° | 179.6° |
| N1 | C2 | C1 | H15 | 0.0° | 99.7° |
| N1 | C2 | C1 | H16 | 120.0° | 140.3° |
| N1 | C2 | C1 | H17 | 120.0° | 20.3° |
| H2 | C14 | C15 | H19 | 1.1° | 0.3° |
| H3 | C6 | C7 | H5 | 1.1° | 0.0° |
| H4 | C11 | C10 | H6 | 0.6° | 0.0° |
| H7 | C13 | H8 | H9 | 120.0° | 119.9° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H21 | C16 | C17 | H22 | 62.4° | 60.7° |
| H21 | C16 | C17 | H23 | 57.6° | 59.4° |
| H21 | C16 | C17 | H24 | 177.6° | 179.4° |
| H21 | C16 | C18 | H25 | 62.4° | 175.8° |
| H21 | C16 | C18 | H26 | 177.6° | 55.8° |
| H21 | C16 | C18 | H27 | 57.6° | 64.2° |
| H22 | C17 | H23 | H24 | 120.0° | 120.0° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
