TFG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C12 | doub | 1.33Å | 1.33Å | Aromatic |
| C19 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| N3 | C11 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | C10 | sing | 1.54Å | 1.54Å | |
| C11 | N2 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | N1 | sing | 1.46Å | 1.46Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.50Å | 1.50Å | |
| C8 | N1 | sing | 1.48Å | 1.48Å | |
| N1 | C7 | sing | 1.33Å | 1.33Å | |
| C7 | O1 | doub | 1.23Å | 1.23Å | |
| C7 | C4 | sing | 1.52Å | 1.52Å | |
| C4 | S1 | sing | 1.67Å | 1.67Å | Aromatic |
| C4 | C3 | doub | 1.34Å | 1.34Å | Aromatic |
| S1 | C1 | sing | 1.68Å | 1.68Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.35Å | Aromatic |
| C1 | C5 | sing | 1.56Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O3 | sing | 1.46Å | 1.46Å | |
| C5 | O2 | sing | 1.44Å | 1.44Å | |
| C6 | F1 | sing | 1.33Å | 1.33Å | |
| C6 | F2 | sing | 1.31Å | 1.31Å | |
| C6 | F3 | sing | 1.31Å | 1.31Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C9 | H9C1 | sing | 1.10Å | 1.10Å | |
| C9 | H9C2 | sing | 1.10Å | 1.10Å | |
| C8 | H8C1 | sing | 1.10Å | 1.10Å | |
| C8 | H8C2 | sing | 1.10Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O3 | HA | sing | 0.95Å | 0.95Å | |
| O2 | HB | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 119.8° | 119.8° |
| C14 | C15 | C16 | 120.4° | 120.4° |
| C15 | C14 | H14 | 120.1° | 120.1° |
| C14 | C15 | H15 | 119.8° | 119.8° |
| C14 | C13 | C18 | 119.6° | 119.6° |
| C14 | C13 | C19 | 119.4° | 119.4° |
| C13 | C14 | H14 | 120.1° | 120.1° |
| C15 | C16 | C17 | 120.3° | 120.3° |
| C16 | C15 | H15 | 119.8° | 119.8° |
| C15 | C16 | H16 | 119.8° | 119.8° |
| C16 | C17 | C18 | 119.1° | 119.1° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | H17 | 120.5° | 120.5° |
| C17 | C18 | C13 | 120.8° | 120.8° |
| C18 | C17 | H17 | 120.4° | 120.4° |
| C17 | C18 | H18 | 119.6° | 119.6° |
| C18 | C13 | C19 | 120.9° | 120.9° |
| C13 | C18 | H18 | 119.6° | 119.6° |
| C13 | C19 | C12 | 131.8° | 131.8° |
| C13 | C19 | N2 | 120.2° | 120.2° |
| C12 | C19 | N2 | 107.9° | 107.9° |
| C19 | C12 | N3 | 109.1° | 109.1° |
| C19 | C12 | H12 | 125.5° | 125.5° |
| C19 | N2 | C11 | 106.3° | 106.3° |
| C19 | N2 | C9 | 129.8° | 129.8° |
| C12 | N3 | C11 | 109.7° | 109.7° |
| N3 | C12 | H12 | 125.5° | 125.5° |
| N3 | C11 | C10 | 129.4° | 129.4° |
| N3 | C11 | N2 | 107.1° | 107.1° |
| C10 | C11 | N2 | 123.5° | 123.5° |
| C11 | C10 | N1 | 106.0° | 106.0° |
| C11 | C10 | H101 | 110.7° | 110.7° |
| C11 | C10 | H102 | 111.4° | 111.4° |
| C11 | N2 | C9 | 124.0° | 124.0° |
| C10 | N1 | C8 | 118.6° | 118.6° |
| C10 | N1 | C7 | 125.8° | 125.8° |
| N1 | C10 | H101 | 110.6° | 110.6° |
| N1 | C10 | H102 | 111.4° | 111.4° |
| N2 | C9 | C8 | 109.4° | 109.4° |
| N2 | C9 | H9C1 | 109.5° | 109.5° |
| N2 | C9 | H9C2 | 109.5° | 109.5° |
| C9 | C8 | N1 | 110.8° | 110.8° |
| C8 | C9 | H9C1 | 109.5° | 109.5° |
| C8 | C9 | H9C2 | 109.5° | 109.5° |
| C9 | C8 | H8C1 | 109.0° | 109.0° |
| C9 | C8 | H8C2 | 108.7° | 108.7° |
| C8 | N1 | C7 | 115.6° | 115.6° |
| N1 | C8 | H8C1 | 109.0° | 109.0° |
| N1 | C8 | H8C2 | 108.8° | 108.8° |
| N1 | C7 | O1 | 114.4° | 114.4° |
| N1 | C7 | C4 | 128.9° | 128.9° |
| O1 | C7 | C4 | 116.2° | 116.2° |
| C7 | C4 | S1 | 121.8° | 121.8° |
| C7 | C4 | C3 | 129.2° | 129.2° |
| S1 | C4 | C3 | 108.5° | 108.5° |
| C4 | S1 | C1 | 95.3° | 95.3° |
| C4 | C3 | C2 | 114.2° | 114.2° |
| C4 | C3 | H3 | 122.9° | 122.9° |
| S1 | C1 | C2 | 107.1° | 107.1° |
| S1 | C1 | C5 | 123.2° | 123.2° |
| C3 | C2 | C1 | 114.9° | 114.9° |
| C2 | C3 | H3 | 122.9° | 122.9° |
| C3 | C2 | H2 | 122.5° | 122.5° |
| C2 | C1 | C5 | 129.7° | 129.7° |
| C1 | C2 | H2 | 122.5° | 122.5° |
| C1 | C5 | C6 | 114.9° | 114.9° |
| C1 | C5 | O3 | 108.8° | 108.8° |
| C1 | C5 | O2 | 111.0° | 111.0° |
| C6 | C5 | O3 | 106.9° | 106.9° |
| C6 | C5 | O2 | 109.4° | 109.4° |
| C5 | C6 | F1 | 110.7° | 110.7° |
| C5 | C6 | F2 | 109.2° | 109.2° |
| C5 | C6 | F3 | 108.3° | 108.3° |
| O3 | C5 | O2 | 105.3° | 105.3° |
| C5 | O3 | HA | 109.5° | 109.5° |
| C5 | O2 | HB | 109.5° | 109.5° |
| F1 | C6 | F2 | 111.8° | 111.8° |
| F1 | C6 | F3 | 108.7° | 108.7° |
| F2 | C6 | F3 | 108.0° | 108.0° |
| H101 | C10 | H102 | 106.8° | 106.8° |
| H9C1 | C9 | H9C2 | 109.4° | 109.4° |
| H8C1 | C8 | H8C2 | 110.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C15 | C14 | C13 | C18 | 0.9° | 0.9° |
| C15 | C14 | C13 | C19 | 178.1° | 178.1° |
| C14 | C15 | C16 | H16 | 179.8° | 179.8° |
| C13 | C14 | C15 | C16 | 0.4° | 0.4° |
| C14 | C13 | C18 | C17 | 0.9° | 0.9° |
| C14 | C13 | C18 | C19 | 177.2° | 177.2° |
| C14 | C13 | C19 | C12 | 32.4° | 32.4° |
| C14 | C13 | C19 | N2 | 144.2° | 144.2° |
| C13 | C14 | C15 | H15 | 179.6° | 179.6° |
| C14 | C13 | C18 | H18 | 179.1° | 179.1° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.2° |
| C16 | C15 | C14 | H14 | 179.6° | 179.6° |
| C15 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 0.3° | 0.3° |
| C17 | C16 | C15 | H15 | 179.8° | 179.8° |
| C16 | C17 | C18 | H18 | 179.7° | 179.7° |
| C17 | C18 | C13 | H18 | 180.0° | 180.0° |
| C17 | C18 | C13 | C19 | 178.1° | 178.1° |
| C18 | C17 | C16 | H16 | 179.8° | 179.8° |
| C18 | C13 | C19 | C12 | 150.4° | 150.4° |
| C18 | C13 | C19 | N2 | 33.0° | 33.0° |
| C18 | C13 | C14 | H14 | 179.1° | 179.1° |
| C13 | C18 | C17 | H17 | 179.7° | 179.7° |
| C13 | C19 | C12 | N2 | 176.9° | 176.9° |
| C13 | C19 | C12 | N3 | 178.1° | 178.1° |
| C13 | C19 | N2 | C11 | 178.4° | 178.4° |
| C13 | C19 | N2 | C9 | 2.9° | 2.9° |
| C19 | C13 | C14 | H14 | 1.9° | 1.9° |
| C19 | C13 | C18 | H18 | 1.9° | 1.9° |
| C13 | C19 | C12 | H12 | 1.9° | 1.9° |
| C19 | C12 | N3 | H12 | 180.0° | 180.0° |
| C19 | C12 | N3 | C11 | 0.9° | 0.9° |
| C12 | C19 | N2 | C11 | 1.1° | 1.1° |
| C12 | C19 | N2 | C9 | 179.8° | 179.8° |
| N2 | C19 | C12 | N3 | 1.2° | 1.2° |
| C19 | N2 | C11 | N3 | 0.5° | 0.5° |
| C19 | N2 | C11 | C10 | 179.7° | 179.7° |
| C19 | N2 | C11 | C9 | 178.8° | 178.8° |
| C19 | N2 | C9 | C8 | 162.5° | 162.5° |
| N2 | C19 | C12 | H12 | 178.8° | 178.8° |
| C19 | N2 | C9 | H9C1 | 77.5° | 77.5° |
| C19 | N2 | C9 | H9C2 | 42.4° | 42.4° |
| C12 | N3 | C11 | C10 | 179.6° | 179.6° |
| C12 | N3 | C11 | N2 | 0.2° | 0.2° |
| N3 | C11 | C10 | N2 | 179.7° | 179.7° |
| N3 | C11 | C10 | N1 | 169.5° | 169.5° |
| N3 | C11 | N2 | C9 | 179.3° | 179.3° |
| C11 | N3 | C12 | H12 | 179.2° | 179.2° |
| N3 | C11 | C10 | H101 | 70.5° | 70.5° |
| N3 | C11 | C10 | H102 | 48.2° | 48.2° |
| C11 | C10 | N1 | H101 | 120.0° | 120.0° |
| C11 | C10 | N1 | H102 | 121.3° | 121.3° |
| C10 | C11 | N2 | C9 | 0.9° | 0.9° |
| C11 | C10 | N1 | C8 | 42.6° | 42.6° |
| C11 | C10 | N1 | C7 | 135.3° | 135.3° |
| C11 | C10 | H101 | H102 | 121.4° | 121.4° |
| N2 | C11 | C10 | N1 | 10.9° | 10.9° |
| C11 | N2 | C9 | C8 | 19.0° | 19.0° |
| N2 | C11 | C10 | H101 | 109.1° | 109.1° |
| N2 | C11 | C10 | H102 | 132.2° | 132.2° |
| C11 | N2 | C9 | H9C1 | 101.0° | 101.0° |
| C11 | N2 | C9 | H9C2 | 139.1° | 139.1° |
| C10 | N1 | C8 | C9 | 64.8° | 64.8° |
| C10 | N1 | C8 | C7 | 178.1° | 178.1° |
| C10 | N1 | C7 | O1 | 179.9° | 179.9° |
| C10 | N1 | C7 | C4 | 7.2° | 7.2° |
| N1 | C10 | H101 | H102 | 121.4° | 121.4° |
| C10 | N1 | C8 | H8C1 | 175.2° | 175.2° |
| C10 | N1 | C8 | H8C2 | 54.6° | 54.6° |
| N2 | C9 | C8 | H9C1 | 120.0° | 120.0° |
| N2 | C9 | C8 | H9C2 | 120.1° | 120.1° |
| N2 | C9 | C8 | N1 | 46.5° | 46.5° |
| N2 | C9 | H9C1 | H9C2 | 120.0° | 120.0° |
| N2 | C9 | C8 | H8C1 | 166.5° | 166.5° |
| N2 | C9 | C8 | H8C2 | 72.9° | 72.9° |
| C9 | C8 | N1 | H8C1 | 120.0° | 120.0° |
| C9 | C8 | N1 | H8C2 | 119.4° | 119.4° |
| C9 | C8 | N1 | C7 | 113.3° | 113.3° |
| C8 | C9 | H9C1 | H9C2 | 120.0° | 120.0° |
| C9 | C8 | H8C1 | H8C2 | 119.4° | 119.4° |
| C8 | N1 | C7 | O1 | 2.1° | 2.1° |
| C8 | N1 | C7 | C4 | 174.9° | 174.9° |
| C8 | N1 | C10 | H101 | 77.5° | 77.5° |
| C8 | N1 | C10 | H102 | 163.9° | 163.9° |
| N1 | C8 | C9 | H9C1 | 73.5° | 73.5° |
| N1 | C8 | C9 | H9C2 | 166.6° | 166.6° |
| N1 | C8 | H8C1 | H8C2 | 119.5° | 119.5° |
| N1 | C7 | O1 | C4 | 173.7° | 173.7° |
| N1 | C7 | C4 | S1 | 161.3° | 161.3° |
| N1 | C7 | C4 | C3 | 28.2° | 28.2° |
| C7 | N1 | C10 | H101 | 104.6° | 104.6° |
| C7 | N1 | C10 | H102 | 14.0° | 14.0° |
| C7 | N1 | C8 | H8C1 | 6.7° | 6.7° |
| C7 | N1 | C8 | H8C2 | 127.3° | 127.3° |
| O1 | C7 | C4 | S1 | 26.1° | 26.1° |
| O1 | C7 | C4 | C3 | 144.4° | 144.4° |
| C7 | C4 | S1 | C3 | 172.3° | 172.3° |
| C7 | C4 | S1 | C1 | 174.6° | 174.6° |
| C7 | C4 | C3 | C2 | 174.1° | 174.1° |
| C7 | C4 | C3 | H3 | 5.9° | 5.9° |
| S1 | C4 | C3 | C2 | 2.6° | 2.6° |
| C4 | S1 | C1 | C2 | 1.5° | 1.5° |
| C4 | S1 | C1 | C5 | 179.6° | 179.6° |
| S1 | C4 | C3 | H3 | 177.4° | 177.4° |
| C3 | C4 | S1 | C1 | 2.4° | 2.4° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.5° | 1.5° |
| C4 | C3 | C2 | H2 | 178.5° | 178.5° |
| S1 | C1 | C2 | C3 | 0.3° | 0.3° |
| S1 | C1 | C2 | C5 | 178.0° | 178.0° |
| S1 | C1 | C5 | C6 | 160.1° | 160.1° |
| S1 | C1 | C5 | O3 | 80.1° | 80.1° |
| S1 | C1 | C5 | O2 | 35.3° | 35.3° |
| S1 | C1 | C2 | H2 | 179.7° | 179.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C5 | 178.2° | 178.2° |
| C2 | C1 | C5 | C6 | 22.2° | 22.2° |
| C2 | C1 | C5 | O3 | 97.5° | 97.5° |
| C2 | C1 | C5 | O2 | 147.1° | 147.1° |
| C1 | C2 | C3 | H3 | 178.4° | 178.4° |
| C1 | C5 | C6 | O3 | 120.8° | 120.8° |
| C1 | C5 | C6 | O2 | 125.7° | 125.7° |
| C1 | C5 | O3 | O2 | 119.1° | 119.1° |
| C1 | C5 | C6 | F1 | 51.8° | 51.8° |
| C1 | C5 | C6 | F2 | 71.7° | 71.7° |
| C1 | C5 | C6 | F3 | 170.9° | 170.9° |
| C5 | C1 | C2 | H2 | 1.7° | 1.7° |
| C1 | C5 | O3 | HA | 144.7° | 144.7° |
| C1 | C5 | O2 | HB | 8.9° | 8.9° |
| C6 | C5 | O3 | O2 | 116.3° | 116.3° |
| C5 | C6 | F1 | F2 | 122.1° | 122.1° |
| C5 | C6 | F1 | F3 | 118.8° | 118.8° |
| C5 | C6 | F2 | F3 | 117.5° | 117.5° |
| C6 | C5 | O3 | HA | 20.1° | 20.1° |
| C6 | C5 | O2 | HB | 136.7° | 136.7° |
| O3 | C5 | C6 | F1 | 69.0° | 69.0° |
| O3 | C5 | C6 | F2 | 167.4° | 167.4° |
| O3 | C5 | C6 | F3 | 50.1° | 50.1° |
| O3 | C5 | O2 | HB | 108.7° | 108.7° |
| O2 | C5 | C6 | F1 | 177.5° | 177.5° |
| O2 | C5 | C6 | F2 | 53.9° | 53.9° |
| O2 | C5 | C6 | F3 | 63.4° | 63.4° |
| O2 | C5 | O3 | HA | 96.2° | 96.2° |
| F1 | C6 | F2 | F3 | 119.6° | 119.6° |
| H14 | C14 | C15 | H15 | 0.4° | 0.4° |
| H15 | C15 | C16 | H16 | 0.2° | 0.2° |
| H16 | C16 | C17 | H17 | 0.3° | 0.3° |
| H17 | C17 | C18 | H18 | 0.3° | 0.3° |
| H9C1 | C9 | C8 | H8C1 | 46.5° | 46.5° |
| H9C1 | C9 | C8 | H8C2 | 167.1° | 167.1° |
| H9C2 | C9 | C8 | H8C1 | 73.4° | 73.4° |
| H9C2 | C9 | C8 | H8C2 | 47.1° | 47.1° |
| H3 | C3 | C2 | H2 | 1.5° | 1.5° |
