TFM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C | sing | 1.37Å | 1.31Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| C | S | sing | 1.76Å | 1.79Å | |
| C | N2 | doub | 1.31Å | 1.32Å | |
| S | C1' | sing | 1.81Å | 1.80Å | |
| N2 | C1 | sing | 1.37Å | 1.43Å | |
| C1 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | CM | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'3 | sing | 1.09Å | 1.10Å | |
| CM | F1 | sing | 1.40Å | 1.38Å | |
| CM | F2 | sing | 1.40Å | 1.37Å | |
| CM | F3 | sing | 1.40Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N1 | HN11 | 127.0° | 120.0° |
| C | N1 | HN12 | 105.9° | 120.0° |
| N1 | C | S | 120.3° | 120.0° |
| N1 | C | N2 | 119.9° | 119.9° |
| HN11 | N1 | HN12 | 127.1° | 120.0° |
| S | C | N2 | 119.8° | 120.0° |
| C | S | C1' | 110.7° | 100.0° |
| C | N2 | C1 | 131.6° | 120.1° |
| S | C1' | C2' | 110.2° | 109.5° |
| S | C1' | H1'1 | 109.1° | 109.5° |
| S | C1' | H1'2 | 109.2° | 109.4° |
| N2 | C1 | C2 | 123.2° | 120.1° |
| N2 | C1 | C6 | 117.1° | 120.1° |
| C2 | C1 | C6 | 119.6° | 119.7° |
| C1 | C2 | C3 | 120.6° | 119.8° |
| C1 | C2 | H21 | 119.7° | 120.1° |
| C1 | C6 | C5 | 120.0° | 119.8° |
| C1 | C6 | H61 | 120.0° | 120.2° |
| C3 | C2 | H21 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.1° |
| C2 | C3 | H31 | 120.0° | 119.9° |
| C4 | C3 | H31 | 119.9° | 119.9° |
| C3 | C4 | C5 | 119.6° | 120.3° |
| C3 | C4 | CM | 119.5° | 119.8° |
| C5 | C4 | CM | 120.9° | 119.8° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | H51 | 120.0° | 120.0° |
| C4 | CM | F1 | 110.0° | 109.5° |
| C4 | CM | F2 | 109.3° | 109.5° |
| C4 | CM | F3 | 109.4° | 109.5° |
| C6 | C5 | H51 | 119.9° | 119.9° |
| C5 | C6 | H61 | 120.0° | 120.0° |
| C2' | C1' | H1'1 | 109.1° | 109.5° |
| C2' | C1' | H1'2 | 109.2° | 109.5° |
| C1' | C2' | H2'1 | 109.4° | 109.5° |
| C1' | C2' | H2'2 | 109.5° | 109.5° |
| C1' | C2' | H2'3 | 109.5° | 109.5° |
| H1'1 | C1' | H1'2 | 110.0° | 109.5° |
| H2'1 | C2' | H2'2 | 109.5° | 109.5° |
| H2'1 | C2' | H2'3 | 109.5° | 109.5° |
| H2'2 | C2' | H2'3 | 109.4° | 109.4° |
| F1 | CM | F2 | 109.2° | 109.5° |
| F1 | CM | F3 | 109.8° | 109.4° |
| F2 | CM | F3 | 109.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N1 | HN11 | HN12 | 180.0° | 179.9° |
| N1 | C | S | N2 | 178.7° | 179.9° |
| N1 | C | S | C1' | 136.0° | 180.0° |
| N1 | C | N2 | C1 | 135.7° | 6.2° |
| HN11 | N1 | C | S | 180.0° | 172.0° |
| HN11 | N1 | C | N2 | 1.3° | 8.1° |
| HN12 | N1 | C | S | 0.0° | 8.0° |
| HN12 | N1 | C | N2 | 178.7° | 171.9° |
| S | C | N2 | C1 | 45.6° | 173.7° |
| C | S | C1' | C2' | 136.0° | 180.0° |
| C | S | C1' | H1'1 | 16.2° | 60.0° |
| C | S | C1' | H1'2 | 104.0° | 60.0° |
| N2 | C | S | C1' | 42.7° | 0.1° |
| C | N2 | C1 | C2 | 0.3° | 123.4° |
| C | N2 | C1 | C6 | 179.4° | 56.8° |
| S | C1' | C2' | H1'1 | 119.7° | 120.1° |
| S | C1' | C2' | H1'2 | 120.0° | 119.9° |
| S | C1' | H1'1 | H1'2 | 119.8° | 120.0° |
| S | C1' | C2' | H2'1 | 152.2° | 180.0° |
| S | C1' | C2' | H2'2 | 87.8° | 60.0° |
| S | C1' | C2' | H2'3 | 32.2° | 59.9° |
| N2 | C1 | C2 | C6 | 179.7° | 179.7° |
| N2 | C1 | C2 | C3 | 179.8° | 180.0° |
| N2 | C1 | C2 | H21 | 0.2° | 0.1° |
| N2 | C1 | C6 | C5 | 179.8° | 179.7° |
| N2 | C1 | C6 | H61 | 0.2° | 0.3° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H31 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.5° |
| C2 | C1 | C6 | H61 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.3° |
| C6 | C1 | C2 | H21 | 180.0° | 179.8° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | H61 | 180.0° | 179.5° |
| C1 | C6 | C5 | H51 | 180.0° | 179.8° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | CM | 179.8° | 180.0° |
| H21 | C2 | C3 | C4 | 180.0° | 180.0° |
| H21 | C2 | C3 | H31 | 0.0° | 0.1° |
| C3 | C4 | C5 | CM | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H51 | 179.9° | 180.0° |
| C3 | C4 | CM | F1 | 159.1° | 180.0° |
| C3 | C4 | CM | F2 | 81.0° | 60.0° |
| C3 | C4 | CM | F3 | 38.4° | 60.0° |
| H31 | C3 | C4 | C5 | 179.9° | 180.0° |
| H31 | C3 | C4 | CM | 0.2° | 0.0° |
| C4 | C5 | C6 | H51 | 180.0° | 179.7° |
| C4 | C5 | C6 | H61 | 180.0° | 180.0° |
| C5 | C4 | CM | F1 | 20.9° | 0.1° |
| C5 | C4 | CM | F2 | 99.0° | 120.0° |
| C5 | C4 | CM | F3 | 141.6° | 120.0° |
| CM | C4 | C5 | C6 | 179.8° | 179.8° |
| CM | C4 | C5 | H51 | 0.1° | 0.1° |
| C4 | CM | F1 | F2 | 120.0° | 120.1° |
| C4 | CM | F1 | F3 | 120.5° | 120.0° |
| C4 | CM | F2 | F3 | 119.6° | 120.0° |
| H51 | C5 | C6 | H61 | 0.0° | 0.3° |
| C2' | C1' | H1'1 | H1'2 | 119.8° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 120.0° | 120.0° |
| C1' | C2' | H2'1 | H2'3 | 120.0° | 120.0° |
| C1' | C2' | H2'2 | H2'3 | 120.0° | 119.9° |
| H1'1 | C1' | C2' | H2'1 | 32.5° | 60.0° |
| H1'1 | C1' | C2' | H2'2 | 152.5° | 60.1° |
| H1'1 | C1' | C2' | H2'3 | 87.5° | 180.0° |
| H1'2 | C1' | C2' | H2'1 | 87.8° | 60.0° |
| H1'2 | C1' | C2' | H2'2 | 32.2° | 179.9° |
| H1'2 | C1' | C2' | H2'3 | 152.2° | 60.0° |
| H2'1 | C2' | H2'2 | H2'3 | 120.0° | 120.1° |
| F1 | CM | F2 | F3 | 120.0° | 119.9° |
