TFF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.37Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N1 | C1' | sing | 1.46Å | 1.46Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C4 | C5 | sing | 1.42Å | 1.41Å | |
| C5 | C6 | doub | 1.35Å | 1.41Å | |
| C5 | C5M | sing | 1.51Å | 1.48Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| PA | O1A | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| PA | C3A | sing | 1.82Å | 1.73Å | |
| PA | O5' | sing | 1.61Å | 1.52Å | |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.51Å | |
| PB | C3A | sing | 1.82Å | 1.73Å | |
| PB | C3B | sing | 1.82Å | 1.73Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| PG | O2G | doub | 1.48Å | 1.48Å | |
| PG | C3B | sing | 1.82Å | 1.73Å | |
| PG | O3G | sing | 1.61Å | 1.51Å | |
| C1' | C2' | sing | 1.54Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| F1A | C3A | sing | 1.40Å | 1.37Å | |
| F1B | C3B | sing | 1.40Å | 1.37Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| F2A | C3A | sing | 1.40Å | 1.37Å | |
| F2B | C3B | sing | 1.40Å | 1.37Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.55Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.34Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C5M | H5M | sing | 1.09Å | 1.10Å | |
| C5M | H5MA | sing | 1.09Å | 1.10Å | |
| C5M | H5MB | sing | 1.09Å | 1.10Å | |
| O2B | H14 | sing | 0.97Å | 0.95Å | |
| O3G | H15 | sing | 0.97Å | 0.95Å | |
| O1G | H16 | sing | 0.97Å | 0.95Å | |
| O2A | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 118.3° | 120.6° |
| C2 | N1 | C1' | 120.4° | 119.7° |
| N1 | C2 | O2 | 123.1° | 119.5° |
| N1 | C2 | N3 | 121.0° | 120.9° |
| C6 | N1 | C1' | 121.3° | 119.7° |
| N1 | C6 | C5 | 122.1° | 119.7° |
| N1 | C6 | H6 | 118.9° | 120.2° |
| N1 | C1' | C2' | 111.6° | 109.9° |
| N1 | C1' | O4' | 115.4° | 109.9° |
| N1 | C1' | H1' | 103.1° | 109.9° |
| O2 | C2 | N3 | 115.9° | 119.6° |
| C2 | N3 | C4 | 121.9° | 120.3° |
| C2 | N3 | HN3 | 119.1° | 119.9° |
| C4 | N3 | HN3 | 119.1° | 119.9° |
| N3 | C4 | O4 | 117.2° | 120.3° |
| N3 | C4 | C5 | 120.1° | 119.4° |
| O4 | C4 | C5 | 122.7° | 120.3° |
| C4 | C5 | C6 | 116.6° | 119.1° |
| C4 | C5 | C5M | 123.3° | 120.4° |
| C6 | C5 | C5M | 120.1° | 120.5° |
| C5 | C6 | H6 | 119.0° | 120.1° |
| C5 | C5M | H5M | 109.5° | 109.5° |
| C5 | C5M | H5MA | 109.5° | 109.5° |
| C5 | C5M | H5MB | 109.5° | 109.5° |
| O1A | PA | O2A | 108.8° | 109.4° |
| O1A | PA | C3A | 109.5° | 109.5° |
| O1A | PA | O5' | 109.8° | 109.5° |
| O2A | PA | C3A | 109.1° | 109.4° |
| O2A | PA | O5' | 109.6° | 109.5° |
| PA | O2A | H17 | 109.5° | 114.0° |
| C3A | PA | O5' | 110.0° | 109.5° |
| PA | C3A | PB | 114.7° | 109.5° |
| PA | C3A | F1A | 108.7° | 109.4° |
| PA | C3A | F2A | 107.1° | 109.5° |
| PA | O5' | C5' | 127.9° | 123.0° |
| O1B | PB | O2B | 108.7° | 109.4° |
| O1B | PB | C3A | 109.1° | 109.5° |
| O1B | PB | C3B | 109.9° | 109.5° |
| O2B | PB | C3A | 109.9° | 109.4° |
| O2B | PB | C3B | 108.9° | 109.5° |
| PB | O2B | H14 | 109.5° | 114.0° |
| C3A | PB | C3B | 110.4° | 109.5° |
| PB | C3A | F1A | 108.7° | 109.4° |
| PB | C3A | F2A | 110.0° | 109.5° |
| PB | C3B | PG | 114.3° | 109.5° |
| PB | C3B | F1B | 109.0° | 109.4° |
| PB | C3B | F2B | 110.0° | 109.5° |
| O1G | PG | O2G | 109.3° | 109.5° |
| O1G | PG | C3B | 108.8° | 109.5° |
| O1G | PG | O3G | 108.6° | 109.4° |
| PG | O1G | H16 | 109.5° | 114.0° |
| O2G | PG | C3B | 110.3° | 109.5° |
| O2G | PG | O3G | 109.7° | 109.4° |
| C3B | PG | O3G | 110.1° | 109.5° |
| PG | C3B | F1B | 107.9° | 109.5° |
| PG | C3B | F2B | 107.7° | 109.5° |
| PG | O3G | H15 | 109.5° | 114.0° |
| C2' | C1' | O4' | 107.4° | 107.3° |
| C2' | C1' | H1' | 111.7° | 109.9° |
| C1' | C2' | C3' | 103.6° | 104.2° |
| C1' | C2' | H2' | 111.5° | 110.5° |
| C1' | C2' | H2'A | 111.5° | 110.5° |
| O4' | C1' | H1' | 107.6° | 110.0° |
| C1' | O4' | C4' | 110.0° | 107.0° |
| F1A | C3A | F2A | 107.4° | 109.5° |
| F1B | C3B | F2B | 107.8° | 109.5° |
| C3' | C2' | H2' | 111.5° | 110.5° |
| C3' | C2' | H2'A | 111.5° | 110.5° |
| C2' | C3' | O3' | 111.2° | 110.9° |
| C2' | C3' | C4' | 102.7° | 102.1° |
| C2' | C3' | H3' | 113.2° | 110.9° |
| H2' | C2' | H2'A | 107.4° | 110.5° |
| O3' | C3' | C4' | 110.6° | 110.9° |
| O3' | C3' | H3' | 105.6° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 113.7° | 111.0° |
| C3' | C4' | O4' | 106.7° | 103.5° |
| C3' | C4' | C5' | 114.3° | 110.6° |
| C3' | C4' | H4' | 108.3° | 110.7° |
| O4' | C4' | C5' | 109.9° | 110.6° |
| O4' | C4' | H4' | 112.8° | 110.6° |
| C5' | C4' | H4' | 105.0° | 110.7° |
| C4' | C5' | O5' | 109.3° | 109.5° |
| C4' | C5' | H5' | 109.5° | 109.4° |
| C4' | C5' | H5'A | 109.5° | 109.5° |
| O5' | C5' | H5' | 109.6° | 109.5° |
| O5' | C5' | H5'A | 109.5° | 109.5° |
| H5' | C5' | H5'A | 109.4° | 109.4° |
| H5M | C5M | H5MA | 109.5° | 109.5° |
| H5M | C5M | H5MB | 109.4° | 109.5° |
| H5MA | C5M | H5MB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 178.2° | 179.7° |
| N1 | C2 | O2 | N3 | 179.7° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.1° |
| N1 | C2 | N3 | HN3 | 179.4° | 179.9° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | H6 | 179.6° | 180.0° |
| C2 | N1 | C1' | C2' | 75.1° | 65.0° |
| C2 | N1 | C1' | O4' | 162.0° | 52.8° |
| C2 | N1 | C1' | H1' | 44.9° | 174.0° |
| C6 | N1 | C2 | O2 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 1.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5M | 179.7° | 180.0° |
| C6 | N1 | C1' | C2' | 103.1° | 114.7° |
| C6 | N1 | C1' | O4' | 19.9° | 127.5° |
| C6 | N1 | C1' | H1' | 136.9° | 6.3° |
| C1' | N1 | C2 | O2 | 2.4° | 0.3° |
| C1' | N1 | C2 | N3 | 177.3° | 179.7° |
| C1' | N1 | C6 | C5 | 177.8° | 179.7° |
| C1' | N1 | C6 | H6 | 2.2° | 0.3° |
| N1 | C1' | C2' | O4' | 127.4° | 119.4° |
| N1 | C1' | C2' | H1' | 114.8° | 121.1° |
| N1 | C1' | O4' | H1' | 114.4° | 121.1° |
| N1 | C1' | C2' | C3' | 147.4° | 121.4° |
| N1 | C1' | C2' | H2' | 92.6° | 119.9° |
| N1 | C1' | C2' | H2'A | 27.4° | 2.7° |
| N1 | C1' | O4' | C4' | 126.7° | 145.9° |
| O2 | C2 | N3 | C4 | 179.7° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.3° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| N3 | C4 | O4 | C5 | 179.6° | 179.9° |
| N3 | C4 | C5 | C6 | 0.8° | 0.1° |
| N3 | C4 | C5 | C5M | 179.3° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.7° | 0.0° |
| HN3 | N3 | C4 | C5 | 179.7° | 179.9° |
| O4 | C4 | C5 | C6 | 178.8° | 180.0° |
| O4 | C4 | C5 | C5M | 1.1° | 0.1° |
| C4 | C5 | C6 | C5M | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C4 | C5 | C5M | H5M | 180.0° | 0.1° |
| C4 | C5 | C5M | H5MA | 60.0° | 120.0° |
| C4 | C5 | C5M | H5MB | 60.0° | 120.0° |
| C6 | C5 | C5M | H5M | 0.2° | 180.0° |
| C6 | C5 | C5M | H5MA | 119.8° | 60.0° |
| C6 | C5 | C5M | H5MB | 120.2° | 60.0° |
| C5M | C5 | C6 | H6 | 0.3° | 0.0° |
| C5 | C5M | H5M | H5MA | 120.0° | 120.0° |
| C5 | C5M | H5M | H5MB | 120.0° | 120.0° |
| C5 | C5M | H5MA | H5MB | 120.0° | 120.0° |
| O1A | PA | O2A | C3A | 119.4° | 120.0° |
| O1A | PA | O2A | O5' | 120.1° | 120.0° |
| O1A | PA | C3A | O5' | 120.8° | 120.0° |
| O1A | PA | C3A | PB | 72.9° | 59.9° |
| O1A | PA | C3A | F1A | 165.3° | 60.0° |
| O1A | PA | C3A | F2A | 49.5° | 180.0° |
| O1A | PA | O5' | C5' | 67.6° | 55.0° |
| O1A | PA | O2A | H17 | 0.0° | 180.0° |
| O2A | PA | C3A | O5' | 120.3° | 120.0° |
| O2A | PA | C3A | PB | 168.2° | 60.0° |
| O2A | PA | C3A | F1A | 46.3° | 180.0° |
| O2A | PA | C3A | F2A | 69.5° | 60.0° |
| O2A | PA | O5' | C5' | 51.8° | 65.0° |
| PA | C3A | PB | O1B | 75.0° | 59.9° |
| PA | C3A | PB | O2B | 44.1° | 60.0° |
| PA | C3A | PB | F1A | 121.8° | 119.9° |
| PA | C3A | PB | F2A | 120.8° | 120.1° |
| PA | C3A | PB | C3B | 164.2° | 180.0° |
| PA | C3A | F1A | F2A | 115.6° | 120.0° |
| C3A | PA | O5' | C5' | 171.8° | 175.0° |
| C3A | PA | O2A | H17 | 119.4° | 60.0° |
| O5' | PA | C3A | PB | 47.9° | 180.0° |
| O5' | PA | C3A | F1A | 74.0° | 60.0° |
| O5' | PA | C3A | F2A | 170.2° | 60.0° |
| PA | O5' | C5' | C4' | 157.7° | 180.0° |
| PA | O5' | C5' | H5' | 82.3° | 60.0° |
| PA | O5' | C5' | H5'A | 37.7° | 60.0° |
| O5' | PA | O2A | H17 | 120.1° | 60.0° |
| O1B | PB | O2B | C3A | 119.4° | 120.0° |
| O1B | PB | O2B | C3B | 119.7° | 120.0° |
| O1B | PB | C3A | C3B | 120.8° | 120.1° |
| O1B | PB | C3B | PG | 51.4° | 60.0° |
| O1B | PB | C3A | F1A | 46.8° | 60.0° |
| O1B | PB | C3B | F1B | 172.2° | 60.0° |
| O1B | PB | C3A | F2A | 164.2° | 180.0° |
| O1B | PB | C3B | F2B | 69.9° | 180.0° |
| O1B | PB | O2B | H14 | 0.0° | 180.0° |
| O2B | PB | C3A | C3B | 120.1° | 120.0° |
| O2B | PB | C3B | PG | 67.6° | 60.0° |
| O2B | PB | C3A | F1A | 166.0° | 180.0° |
| O2B | PB | C3B | F1B | 53.2° | 180.0° |
| O2B | PB | C3A | F2A | 76.7° | 60.0° |
| O2B | PB | C3B | F2B | 171.1° | 60.0° |
| C3A | PB | C3B | PG | 171.7° | 180.0° |
| PB | C3A | F1A | F2A | 119.0° | 120.0° |
| C3A | PB | C3B | F1B | 67.5° | 60.1° |
| C3A | PB | C3B | F2B | 50.4° | 60.0° |
| C3A | PB | O2B | H14 | 119.4° | 60.0° |
| PB | C3B | PG | O1G | 174.9° | 180.0° |
| PB | C3B | PG | O2G | 65.3° | 60.0° |
| PB | C3B | PG | F1B | 121.4° | 119.9° |
| PB | C3B | PG | F2B | 122.5° | 120.0° |
| PB | C3B | PG | O3G | 56.0° | 60.0° |
| C3B | PB | C3A | F1A | 74.0° | 60.1° |
| PB | C3B | F1B | F2B | 119.3° | 120.0° |
| C3B | PB | C3A | F2A | 43.4° | 59.9° |
| C3B | PB | O2B | H14 | 119.7° | 60.0° |
| O1G | PG | O2G | C3B | 119.6° | 120.0° |
| O1G | PG | O2G | O3G | 119.0° | 120.0° |
| O1G | PG | C3B | O3G | 118.9° | 120.0° |
| O1G | PG | C3B | F1B | 53.5° | 60.0° |
| O1G | PG | C3B | F2B | 62.6° | 60.0° |
| O1G | PG | O3G | H15 | 119.5° | 60.0° |
| O2G | PG | C3B | O3G | 121.2° | 120.0° |
| O2G | PG | C3B | F1B | 173.3° | 180.0° |
| O2G | PG | C3B | F2B | 57.3° | 60.0° |
| O2G | PG | O3G | H15 | 0.0° | 180.0° |
| O2G | PG | O1G | H16 | 0.0° | 59.9° |
| PG | C3B | F1B | F2B | 116.1° | 120.0° |
| C3B | PG | O3G | H15 | 121.6° | 60.0° |
| C3B | PG | O1G | H16 | 120.5° | 180.0° |
| O3G | PG | C3B | F1B | 65.4° | 60.0° |
| O3G | PG | C3B | F2B | 178.5° | 180.0° |
| O3G | PG | O1G | H16 | 119.7° | 60.0° |
| C2' | C1' | O4' | H1' | 120.4° | 119.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | H2' | H2'A | 122.4° | 122.6° |
| C1' | C2' | C3' | O3' | 89.0° | 139.1° |
| C1' | C2' | C3' | C4' | 29.2° | 20.9° |
| C1' | C2' | C3' | H3' | 152.3° | 97.4° |
| C2' | C1' | O4' | C4' | 1.5° | 26.5° |
| O4' | C1' | C2' | C3' | 20.0° | 2.0° |
| O4' | C1' | C2' | H2' | 140.0° | 120.7° |
| O4' | C1' | C2' | H2'A | 100.0° | 116.7° |
| C1' | O4' | C4' | C3' | 17.7° | 40.1° |
| C1' | O4' | C4' | C5' | 106.7° | 158.6° |
| C1' | O4' | C4' | H4' | 136.5° | 78.4° |
| H1' | C1' | C2' | C3' | 97.8° | 117.5° |
| H1' | C1' | C2' | H2' | 22.2° | 1.2° |
| H1' | C1' | C2' | H2'A | 142.2° | 123.8° |
| H1' | C1' | O4' | C4' | 118.9° | 92.9° |
| C3' | C2' | H2' | H2'A | 122.4° | 122.6° |
| C2' | C3' | O3' | C4' | 113.4° | 112.7° |
| C2' | C3' | O3' | H3' | 123.1° | 123.6° |
| C2' | C3' | C4' | H3' | 122.7° | 118.2° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | O4' | 29.5° | 37.1° |
| C2' | C3' | C4' | C5' | 92.2° | 155.5° |
| C2' | C3' | C4' | H4' | 151.2° | 81.4° |
| H2' | C2' | C3' | O3' | 30.9° | 20.4° |
| H2' | C2' | C3' | C4' | 149.2° | 97.8° |
| H2' | C2' | C3' | H3' | 87.7° | 143.9° |
| H2'A | C2' | C3' | O3' | 151.0° | 102.2° |
| H2'A | C2' | C3' | C4' | 90.7° | 139.6° |
| H2'A | C2' | C3' | H3' | 32.3° | 21.3° |
| O3' | C3' | C4' | H3' | 118.7° | 123.6° |
| O3' | C3' | C4' | O4' | 89.2° | 155.2° |
| O3' | C3' | C4' | C5' | 149.2° | 86.3° |
| O3' | C3' | C4' | H4' | 32.5° | 36.7° |
| C4' | C3' | O3' | HO3' | 66.6° | 174.1° |
| C3' | C4' | O4' | C5' | 124.4° | 118.5° |
| C3' | C4' | O4' | H4' | 118.8° | 118.5° |
| C3' | C4' | C5' | H4' | 118.5° | 123.0° |
| C3' | C4' | C5' | O5' | 177.8° | 175.0° |
| C3' | C4' | C5' | H5' | 57.8° | 55.0° |
| C3' | C4' | C5' | H5'A | 62.2° | 65.0° |
| H3' | C3' | O3' | HO3' | 56.9° | 62.2° |
| H3' | C3' | C4' | O4' | 152.1° | 81.2° |
| H3' | C3' | C4' | C5' | 30.5° | 37.3° |
| H3' | C3' | C4' | H4' | 86.2° | 160.4° |
| O4' | C4' | C5' | H4' | 121.6° | 122.9° |
| O4' | C4' | C5' | O5' | 62.3° | 70.9° |
| O4' | C4' | C5' | H5' | 177.7° | 169.0° |
| O4' | C4' | C5' | H5'A | 57.7° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.0° | 120.0° |
| H4' | C4' | C5' | O5' | 59.3° | 52.0° |
| H4' | C4' | C5' | H5' | 60.8° | 68.0° |
| H4' | C4' | C5' | H5'A | 179.3° | 172.0° |
| O5' | C5' | H5' | H5'A | 120.1° | 120.0° |
| H5M | C5M | H5MA | H5MB | 119.9° | 120.0° |
