FT8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C10 | doub | 1.21Å | 1.26Å | |
| C8 | C7 | sing | 1.53Å | 1.47Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.47Å | |
| C10 | O1 | sing | 1.34Å | 1.27Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | N1 | sing | 1.46Å | 1.50Å | |
| C6 | C1 | sing | 1.52Å | 1.53Å | |
| N1 | C1 | sing | 1.44Å | 1.52Å | |
| N1 | C2 | sing | 1.33Å | 1.44Å | |
| C1 | S1 | sing | 1.81Å | 1.85Å | |
| S1 | C5 | sing | 1.79Å | 1.82Å | |
| O3 | C2 | doub | 1.21Å | 1.18Å | |
| C2 | C3 | sing | 1.47Å | 1.52Å | |
| C5 | C4 | sing | 1.49Å | 1.53Å | |
| C4 | C3 | sing | 1.50Å | 1.53Å | |
| C3 | N2 | sing | 1.46Å | 1.45Å | |
| O4 | C11 | doub | 1.21Å | 1.18Å | |
| N2 | C11 | sing | 1.35Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C12 | S2 | sing | 1.81Å | 1.82Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| O1 | H23 | sing | 0.97Å | 0.95Å | |
| S2 | H24 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C10 | O1 | 119.3° | 120.0° |
| O2 | C10 | C9 | 119.8° | 120.0° |
| C7 | C8 | C9 | 112.2° | 109.3° |
| C8 | C7 | C6 | 112.6° | 106.1° |
| C8 | C7 | H17 | 108.7° | 110.1° |
| C8 | C7 | H18 | 108.7° | 110.2° |
| C7 | C8 | H19 | 108.8° | 109.5° |
| C7 | C8 | H20 | 108.8° | 109.5° |
| C8 | C9 | C10 | 110.5° | 108.4° |
| C8 | C9 | N1 | 116.5° | 114.6° |
| C9 | C8 | H19 | 108.8° | 109.5° |
| C9 | C8 | H20 | 108.8° | 109.5° |
| C8 | C9 | H21 | 108.0° | 108.4° |
| C7 | C6 | C1 | 112.6° | 110.3° |
| C7 | C6 | H15 | 108.7° | 109.3° |
| C7 | C6 | H16 | 108.7° | 109.2° |
| C6 | C7 | H17 | 108.7° | 110.1° |
| C6 | C7 | H18 | 108.7° | 110.2° |
| O1 | C10 | C9 | 120.9° | 120.0° |
| C10 | O1 | H23 | 109.5° | 117.0° |
| C10 | C9 | N1 | 105.1° | 108.3° |
| C10 | C9 | H21 | 108.2° | 108.3° |
| C9 | N1 | C1 | 121.1° | 125.6° |
| C9 | N1 | C2 | 117.9° | 113.4° |
| N1 | C9 | H21 | 108.3° | 108.7° |
| C6 | C1 | N1 | 115.1° | 114.8° |
| C6 | C1 | S1 | 108.6° | 108.4° |
| C6 | C1 | H1 | 107.8° | 106.4° |
| C1 | C6 | H15 | 108.7° | 109.4° |
| C1 | C6 | H16 | 108.7° | 109.3° |
| C1 | N1 | C2 | 121.0° | 120.9° |
| N1 | C1 | S1 | 112.2° | 113.6° |
| N1 | C1 | H1 | 107.9° | 106.6° |
| N1 | C2 | O3 | 119.7° | 111.9° |
| N1 | C2 | C3 | 116.9° | 136.3° |
| C1 | S1 | C5 | 111.6° | 105.3° |
| S1 | C1 | H1 | 104.7° | 106.4° |
| S1 | C5 | C4 | 114.1° | 112.2° |
| S1 | C5 | H13 | 108.3° | 110.3° |
| S1 | C5 | H14 | 108.3° | 108.1° |
| O3 | C2 | C3 | 123.3° | 111.8° |
| C2 | C3 | C4 | 114.7° | 114.2° |
| C2 | C3 | N2 | 110.6° | 108.6° |
| C2 | C3 | H10 | 107.2° | 108.5° |
| C5 | C4 | C3 | 113.5° | 113.4° |
| C5 | C4 | H11 | 108.4° | 107.8° |
| C5 | C4 | H12 | 108.5° | 109.9° |
| C4 | C5 | H13 | 108.3° | 108.8° |
| C4 | C5 | H14 | 108.3° | 108.7° |
| C4 | C3 | N2 | 108.8° | 108.5° |
| C4 | C3 | H10 | 107.2° | 108.4° |
| C3 | C4 | H11 | 108.5° | 108.5° |
| C3 | C4 | H12 | 108.5° | 108.6° |
| C3 | N2 | C11 | 117.1° | 120.0° |
| N2 | C3 | H10 | 108.0° | 108.5° |
| C3 | N2 | H22 | 121.4° | 120.0° |
| O4 | C11 | N2 | 122.1° | 120.0° |
| O4 | C11 | C12 | 121.2° | 120.0° |
| N2 | C11 | C12 | 116.6° | 120.0° |
| C11 | N2 | H22 | 121.4° | 120.0° |
| C11 | C12 | C13 | 110.1° | 109.5° |
| C11 | C12 | S2 | 100.4° | 109.5° |
| C11 | C12 | H2 | 111.8° | 109.5° |
| C12 | C13 | C14 | 113.5° | 109.4° |
| C13 | C12 | S2 | 114.6° | 109.4° |
| C13 | C12 | H2 | 111.6° | 109.5° |
| C12 | C13 | H3 | 108.5° | 109.5° |
| C12 | C13 | H4 | 108.5° | 109.5° |
| C13 | C14 | C15 | 121.0° | 120.0° |
| C13 | C14 | C19 | 118.9° | 120.0° |
| C14 | C13 | H3 | 108.4° | 109.5° |
| C14 | C13 | H4 | 108.4° | 109.4° |
| S2 | C12 | H2 | 107.9° | 109.5° |
| C12 | S2 | H24 | 102.0° | 103.0° |
| C15 | C14 | C19 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C14 | C15 | H5 | 120.1° | 120.0° |
| C14 | C19 | C18 | 120.1° | 120.0° |
| C14 | C19 | H9 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C16 | C15 | H5 | 120.2° | 120.0° |
| C15 | C16 | H6 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.0° | 120.0° |
| C19 | C18 | H8 | 120.0° | 120.0° |
| C18 | C19 | H9 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C16 | H6 | 119.9° | 120.0° |
| C16 | C17 | H7 | 120.0° | 120.0° |
| C18 | C17 | H7 | 120.0° | 120.0° |
| C17 | C18 | H8 | 120.0° | 120.0° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 108.6° |
| H13 | C5 | H14 | 109.5° | 108.7° |
| H15 | C6 | H16 | 109.4° | 109.3° |
| H17 | C7 | H18 | 109.4° | 110.1° |
| H19 | C8 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C10 | C9 | C8 | 85.1° | 120.0° |
| O2 | C10 | O1 | C9 | 179.0° | 179.9° |
| O2 | C10 | C9 | N1 | 148.5° | 4.9° |
| O2 | C10 | C9 | H21 | 33.0° | 122.7° |
| O2 | C10 | O1 | H23 | 0.0° | 0.0° |
| C7 | C8 | C9 | H19 | 120.4° | 120.0° |
| C7 | C8 | C9 | H20 | 120.4° | 119.9° |
| C8 | C7 | C6 | H17 | 120.5° | 119.1° |
| C8 | C7 | C6 | H18 | 120.5° | 119.3° |
| C7 | C8 | C9 | C10 | 88.2° | 154.8° |
| C7 | C8 | C9 | N1 | 31.6° | 33.8° |
| C8 | C7 | C6 | C1 | 60.6° | 65.0° |
| C8 | C7 | C6 | H15 | 178.9° | 174.7° |
| C8 | C7 | C6 | H16 | 59.9° | 55.2° |
| C8 | C7 | H17 | H18 | 118.6° | 121.7° |
| C7 | C8 | H19 | H20 | 118.8° | 120.0° |
| C7 | C8 | C9 | H21 | 153.6° | 87.8° |
| C9 | C8 | C7 | C6 | 59.3° | 67.3° |
| C8 | C9 | C10 | O1 | 96.0° | 60.0° |
| C8 | C9 | C10 | N1 | 126.4° | 124.9° |
| C8 | C9 | C10 | H21 | 118.1° | 117.4° |
| C8 | C9 | N1 | H21 | 121.9° | 121.4° |
| C8 | C9 | N1 | C1 | 7.2° | 2.9° |
| C8 | C9 | N1 | C2 | 174.2° | 171.7° |
| C9 | C8 | C7 | H17 | 61.1° | 51.9° |
| C9 | C8 | C7 | H18 | 179.8° | 173.5° |
| C9 | C8 | H19 | H20 | 118.8° | 120.1° |
| C7 | C6 | C1 | H15 | 120.5° | 120.3° |
| C7 | C6 | C1 | H16 | 120.5° | 120.1° |
| C7 | C6 | C1 | N1 | 33.4° | 29.2° |
| C7 | C6 | C1 | S1 | 93.3° | 157.5° |
| C7 | C6 | C1 | H1 | 153.8° | 88.5° |
| C7 | C6 | H15 | H16 | 118.6° | 119.4° |
| C6 | C7 | H17 | H18 | 118.5° | 121.7° |
| C6 | C7 | C8 | H19 | 61.0° | 172.7° |
| C6 | C7 | C8 | H20 | 179.7° | 52.7° |
| O1 | C10 | C9 | N1 | 30.4° | 175.1° |
| O1 | C10 | C9 | H21 | 146.0° | 57.4° |
| C10 | C9 | N1 | H21 | 115.5° | 117.5° |
| C10 | C9 | N1 | C1 | 115.4° | 118.3° |
| C10 | C9 | N1 | C2 | 63.2° | 67.2° |
| C10 | C9 | C8 | H19 | 151.4° | 85.2° |
| C10 | C9 | C8 | H20 | 32.2° | 34.9° |
| C9 | C10 | O1 | H23 | 179.0° | 180.0° |
| C9 | N1 | C1 | C6 | 7.9° | 5.4° |
| C9 | N1 | C1 | C2 | 178.5° | 174.2° |
| C9 | N1 | C1 | S1 | 116.9° | 120.2° |
| C9 | N1 | C2 | O3 | 1.7° | 13.0° |
| C9 | N1 | C2 | C3 | 178.7° | 167.0° |
| C9 | N1 | C1 | H1 | 128.3° | 122.9° |
| N1 | C9 | C8 | H19 | 88.8° | 153.7° |
| N1 | C9 | C8 | H20 | 151.9° | 86.1° |
| C6 | C1 | N1 | S1 | 124.9° | 125.6° |
| C6 | C1 | N1 | H1 | 120.4° | 117.5° |
| C6 | C1 | N1 | C2 | 173.5° | 168.8° |
| C6 | C1 | S1 | H1 | 114.9° | 114.0° |
| C6 | C1 | S1 | C5 | 148.9° | 160.1° |
| C1 | C6 | H15 | H16 | 118.6° | 119.7° |
| C1 | C6 | C7 | H17 | 59.9° | 54.2° |
| C1 | C6 | C7 | H18 | 178.9° | 175.8° |
| N1 | C1 | S1 | H1 | 116.7° | 117.0° |
| N1 | C1 | S1 | C5 | 20.5° | 70.9° |
| C1 | N1 | C2 | O3 | 179.7° | 161.9° |
| C1 | N1 | C2 | C3 | 0.1° | 18.2° |
| N1 | C1 | C6 | H15 | 153.9° | 149.5° |
| N1 | C1 | C6 | H16 | 87.1° | 90.9° |
| C1 | N1 | C9 | H21 | 129.1° | 124.3° |
| C2 | N1 | C1 | S1 | 61.6° | 65.6° |
| N1 | C2 | O3 | C3 | 179.6° | 179.9° |
| N1 | C2 | C3 | C4 | 86.5° | 44.4° |
| N1 | C2 | C3 | N2 | 149.9° | 165.7° |
| C2 | N1 | C1 | H1 | 53.2° | 51.3° |
| N1 | C2 | C3 | H10 | 32.3° | 76.6° |
| C2 | N1 | C9 | H21 | 52.3° | 50.3° |
| C1 | S1 | C5 | C4 | 58.2° | 68.4° |
| C1 | S1 | C5 | H13 | 62.5° | 53.0° |
| C1 | S1 | C5 | H14 | 178.8° | 171.7° |
| S1 | C1 | C6 | H15 | 27.2° | 82.2° |
| S1 | C1 | C6 | H16 | 146.2° | 37.4° |
| S1 | C5 | C4 | H13 | 120.7° | 122.3° |
| S1 | C5 | C4 | H14 | 120.7° | 119.5° |
| S1 | C5 | C4 | C3 | 46.8° | 79.7° |
| C5 | S1 | C1 | H1 | 96.2° | 46.0° |
| S1 | C5 | C4 | H11 | 167.4° | 160.1° |
| S1 | C5 | C4 | H12 | 73.8° | 42.0° |
| S1 | C5 | H13 | H14 | 117.9° | 118.3° |
| O3 | C2 | C3 | C4 | 93.9° | 135.5° |
| O3 | C2 | C3 | N2 | 29.7° | 14.2° |
| O3 | C2 | C3 | H10 | 147.3° | 103.5° |
| C2 | C3 | C4 | C5 | 44.0° | 76.4° |
| C2 | C3 | C4 | N2 | 124.5° | 121.3° |
| C2 | C3 | C4 | H10 | 118.9° | 121.1° |
| C2 | C3 | N2 | H10 | 117.1° | 117.7° |
| C2 | C3 | N2 | C11 | 61.1° | 85.0° |
| C2 | C3 | C4 | H11 | 76.5° | 163.9° |
| C2 | C3 | C4 | H12 | 164.6° | 46.0° |
| C2 | C3 | N2 | H22 | 118.9° | 95.0° |
| C5 | C4 | C3 | H11 | 120.6° | 119.7° |
| C5 | C4 | C3 | H12 | 120.6° | 122.4° |
| C5 | C4 | C3 | N2 | 168.5° | 162.3° |
| C5 | C4 | C3 | H10 | 74.9° | 44.7° |
| C5 | C4 | H11 | H12 | 118.2° | 118.9° |
| C4 | C5 | H13 | H14 | 117.9° | 118.2° |
| C4 | C3 | N2 | H10 | 116.0° | 117.6° |
| C4 | C3 | N2 | C11 | 172.1° | 150.3° |
| C3 | C4 | H11 | H12 | 118.2° | 117.9° |
| C3 | C4 | C5 | H13 | 73.9° | 42.6° |
| C3 | C4 | C5 | H14 | 167.5° | 160.8° |
| C4 | C3 | N2 | H22 | 7.9° | 29.7° |
| C3 | N2 | C11 | O4 | 0.1° | 0.0° |
| C3 | N2 | C11 | H22 | 180.0° | 180.0° |
| C3 | N2 | C11 | C12 | 177.5° | 180.0° |
| N2 | C3 | C4 | H11 | 48.0° | 42.6° |
| N2 | C3 | C4 | H12 | 70.9° | 75.3° |
| O4 | C11 | N2 | C12 | 177.3° | 180.0° |
| O4 | C11 | C12 | C13 | 49.3° | 35.0° |
| O4 | C11 | C12 | S2 | 71.8° | 85.0° |
| O4 | C11 | C12 | H2 | 173.9° | 155.0° |
| O4 | C11 | N2 | H22 | 179.9° | 180.0° |
| N2 | C11 | C12 | C13 | 133.3° | 145.0° |
| N2 | C11 | C12 | S2 | 105.5° | 95.0° |
| N2 | C11 | C12 | H2 | 8.8° | 25.0° |
| C11 | N2 | C3 | H10 | 56.0° | 32.7° |
| C11 | C12 | C13 | S2 | 112.3° | 120.0° |
| C11 | C12 | C13 | H2 | 124.7° | 120.0° |
| C11 | C12 | C13 | C14 | 160.6° | 175.0° |
| C11 | C12 | S2 | H2 | 117.2° | 120.0° |
| C11 | C12 | C13 | H3 | 78.8° | 65.0° |
| C11 | C12 | C13 | H4 | 40.1° | 55.1° |
| C12 | C11 | N2 | H22 | 2.6° | 0.0° |
| C11 | C12 | S2 | H24 | 180.0° | 60.0° |
| C12 | C13 | C14 | H3 | 120.6° | 120.0° |
| C12 | C13 | C14 | H4 | 120.6° | 120.0° |
| C13 | C12 | S2 | H2 | 124.9° | 120.0° |
| C12 | C13 | C14 | C15 | 64.5° | 90.1° |
| C12 | C13 | C14 | C19 | 116.3° | 90.3° |
| C12 | C13 | H3 | H4 | 118.2° | 120.1° |
| C13 | C12 | S2 | H24 | 62.1° | 60.0° |
| C14 | C13 | C12 | S2 | 87.1° | 65.0° |
| C13 | C14 | C15 | C19 | 179.2° | 179.6° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C19 | C18 | 179.7° | 179.8° |
| C14 | C13 | C12 | H2 | 35.9° | 55.0° |
| C14 | C13 | H3 | H4 | 118.1° | 120.0° |
| C13 | C14 | C15 | H5 | 0.2° | 0.1° |
| C13 | C14 | C19 | H9 | 0.3° | 0.1° |
| S2 | C12 | C13 | H3 | 33.5° | 55.0° |
| S2 | C12 | C13 | H4 | 152.3° | 175.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C15 | C14 | C19 | C18 | 0.5° | 0.6° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C15 | C14 | C13 | H3 | 174.9° | 30.0° |
| C15 | C14 | C13 | H4 | 56.1° | 150.0° |
| C14 | C15 | C16 | H6 | 179.6° | 179.9° |
| C15 | C14 | C19 | H9 | 179.5° | 179.7° |
| C19 | C14 | C15 | C16 | 0.6° | 0.3° |
| C14 | C19 | C18 | H9 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 0.2° | 0.6° |
| C19 | C14 | C13 | H3 | 4.3° | 149.7° |
| C19 | C14 | C13 | H4 | 123.1° | 29.7° |
| C19 | C14 | C15 | H5 | 179.4° | 179.7° |
| C14 | C19 | C18 | H8 | 179.8° | 179.7° |
| C15 | C16 | C17 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H7 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.0° | 0.2° |
| C19 | C18 | C17 | H8 | 180.0° | 179.7° |
| C19 | C18 | C17 | H7 | 180.0° | 179.8° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | H5 | 179.6° | 180.0° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | H6 | 179.9° | 180.0° |
| C17 | C18 | C19 | H9 | 179.8° | 179.8° |
| H1 | C1 | C6 | H15 | 85.7° | 31.8° |
| H1 | C1 | C6 | H16 | 33.4° | 151.5° |
| H2 | C12 | C13 | H3 | 156.5° | 175.0° |
| H2 | C12 | C13 | H4 | 84.7° | 64.9° |
| H2 | C12 | S2 | H24 | 62.8° | 180.0° |
| H5 | C15 | C16 | H6 | 0.4° | 0.0° |
| H6 | C16 | C17 | H7 | 0.1° | 0.0° |
| H7 | C17 | C18 | H8 | 0.0° | 0.0° |
| H8 | C18 | C19 | H9 | 0.2° | 0.0° |
| H10 | C3 | C4 | H11 | 164.6° | 75.0° |
| H10 | C3 | C4 | H12 | 45.7° | 167.1° |
| H10 | C3 | N2 | H22 | 124.0° | 147.3° |
| H11 | C4 | C5 | H13 | 46.7° | 77.6° |
| H11 | C4 | C5 | H14 | 72.0° | 40.6° |
| H12 | C4 | C5 | H13 | 165.5° | 164.3° |
| H12 | C4 | C5 | H14 | 46.9° | 77.5° |
| H15 | C6 | C7 | H17 | 60.6° | 66.2° |
| H15 | C6 | C7 | H18 | 58.4° | 55.4° |
| H16 | C6 | C7 | H17 | 179.6° | 174.3° |
| H16 | C6 | C7 | H18 | 60.6° | 64.1° |
| H17 | C7 | C8 | H19 | 178.5° | 68.1° |
| H17 | C7 | C8 | H20 | 59.2° | 171.8° |
| H18 | C7 | C8 | H19 | 59.5° | 53.5° |
| H18 | C7 | C8 | H20 | 59.8° | 66.6° |
| H19 | C8 | C9 | H21 | 33.2° | 32.1° |
| H20 | C8 | C9 | H21 | 86.0° | 152.2° |
