NTF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | F1 | sing | 1.40Å | 1.30Å | |
| C8 | F2 | sing | 1.40Å | 1.28Å | |
| C8 | F3 | sing | 1.40Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 109.3° | 109.3° |
| N1 | C1 | O5 | 108.2° | 109.4° |
| N1 | C1 | H1 | 110.9° | 109.4° |
| C1 | N1 | C7 | 120.5° | 120.0° |
| C1 | N1 | HN1 | 124.3° | 120.0° |
| C2 | C1 | O5 | 110.9° | 109.8° |
| C2 | C1 | H1 | 108.2° | 109.4° |
| C1 | C2 | O2 | 109.7° | 109.5° |
| C1 | C2 | C3 | 112.3° | 109.0° |
| C1 | C2 | H2 | 107.2° | 109.6° |
| O5 | C1 | H1 | 109.4° | 109.4° |
| C1 | O5 | C5 | 113.9° | 107.5° |
| C7 | N1 | HN1 | 115.2° | 120.0° |
| N1 | C7 | O7 | 123.1° | 120.0° |
| N1 | C7 | C8 | 117.0° | 120.0° |
| O2 | C2 | C3 | 109.1° | 109.6° |
| O2 | C2 | H2 | 110.6° | 109.6° |
| C2 | O2 | HO2 | 109.7° | 106.8° |
| C3 | C2 | H2 | 107.8° | 109.6° |
| C2 | C3 | O3 | 109.6° | 109.6° |
| C2 | C3 | C4 | 110.5° | 108.6° |
| C2 | C3 | H3 | 108.6° | 109.6° |
| O3 | C3 | C4 | 109.3° | 109.7° |
| O3 | C3 | H3 | 109.8° | 109.7° |
| C3 | O3 | HO3 | 109.6° | 106.8° |
| C4 | C3 | H3 | 109.0° | 109.6° |
| C3 | C4 | O4 | 109.9° | 109.5° |
| C3 | C4 | C5 | 109.1° | 109.0° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| O4 | C4 | C5 | 110.1° | 109.6° |
| O4 | C4 | H4 | 108.6° | 109.5° |
| C4 | O4 | HO4 | 109.9° | 106.9° |
| C5 | C4 | H4 | 109.5° | 109.7° |
| C4 | C5 | O5 | 109.6° | 109.8° |
| C4 | C5 | C6 | 112.3° | 109.4° |
| C4 | C5 | H5 | 106.6° | 109.5° |
| O5 | C5 | C6 | 106.5° | 109.4° |
| O5 | C5 | H5 | 112.3° | 109.4° |
| C6 | C5 | H5 | 109.7° | 109.4° |
| C5 | C6 | O6 | 110.7° | 109.5° |
| C5 | C6 | H61 | 111.7° | 109.5° |
| C5 | C6 | H62 | 111.7° | 109.5° |
| O6 | C6 | H61 | 111.8° | 109.5° |
| O6 | C6 | H62 | 111.7° | 109.5° |
| C6 | O6 | HO6 | 110.7° | 106.7° |
| H61 | C6 | H62 | 98.6° | 109.5° |
| O7 | C7 | C8 | 119.9° | 120.0° |
| C7 | C8 | F1 | 109.1° | 109.4° |
| C7 | C8 | F2 | 109.4° | 109.4° |
| C7 | C8 | F3 | 107.5° | 109.5° |
| F1 | C8 | F2 | 110.1° | 109.5° |
| F1 | C8 | F3 | 109.8° | 109.5° |
| F2 | C8 | F3 | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | O5 | 119.2° | 120.1° |
| N1 | C1 | C2 | H1 | 120.9° | 119.8° |
| N1 | C1 | O5 | H1 | 120.9° | 119.8° |
| C1 | N1 | C7 | HN1 | 180.0° | 179.9° |
| N1 | C1 | C2 | O2 | 70.1° | 58.7° |
| N1 | C1 | C2 | C3 | 168.3° | 178.6° |
| N1 | C1 | C2 | H2 | 50.0° | 61.5° |
| N1 | C1 | O5 | C5 | 176.4° | 172.4° |
| C1 | N1 | C7 | O7 | 2.9° | 0.1° |
| C1 | N1 | C7 | C8 | 178.5° | 180.0° |
| C2 | C1 | O5 | H1 | 119.2° | 120.1° |
| C2 | C1 | N1 | C7 | 140.6° | 144.7° |
| C2 | C1 | N1 | HN1 | 39.4° | 35.4° |
| C1 | C2 | O2 | C3 | 123.5° | 119.5° |
| C1 | C2 | O2 | H2 | 118.1° | 120.2° |
| C1 | C2 | C3 | H2 | 117.9° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 170.1° | 173.6° |
| C1 | C2 | C3 | C4 | 49.6° | 53.7° |
| C1 | C2 | C3 | H3 | 69.9° | 66.0° |
| C2 | C1 | O5 | C5 | 56.5° | 67.6° |
| O5 | C1 | N1 | C7 | 98.5° | 94.9° |
| O5 | C1 | N1 | HN1 | 81.5° | 85.0° |
| O5 | C1 | C2 | O2 | 170.7° | 178.8° |
| O5 | C1 | C2 | C3 | 49.1° | 61.3° |
| O5 | C1 | C2 | H2 | 69.2° | 58.6° |
| C1 | O5 | C5 | C4 | 63.0° | 67.6° |
| C1 | O5 | C5 | C6 | 175.4° | 172.3° |
| C1 | O5 | C5 | H5 | 55.3° | 52.5° |
| H1 | C1 | N1 | C7 | 21.4° | 24.9° |
| H1 | C1 | N1 | HN1 | 158.6° | 155.2° |
| H1 | C1 | C2 | O2 | 50.8° | 61.1° |
| H1 | C1 | C2 | C3 | 70.8° | 58.8° |
| H1 | C1 | C2 | H2 | 170.9° | 178.7° |
| H1 | C1 | O5 | C5 | 62.7° | 52.5° |
| N1 | C7 | O7 | C8 | 178.6° | 179.9° |
| N1 | C7 | C8 | F1 | 15.8° | 180.0° |
| N1 | C7 | C8 | F2 | 104.7° | 60.1° |
| N1 | C7 | C8 | F3 | 134.9° | 60.0° |
| HN1 | N1 | C7 | O7 | 177.1° | 180.0° |
| HN1 | N1 | C7 | C8 | 1.5° | 0.1° |
| O2 | C2 | C3 | H2 | 120.2° | 120.3° |
| O2 | C2 | C3 | O3 | 68.0° | 66.5° |
| O2 | C2 | C3 | C4 | 171.5° | 173.6° |
| O2 | C2 | C3 | H3 | 52.0° | 53.9° |
| C3 | C2 | O2 | HO2 | 56.5° | 179.5° |
| C2 | C3 | O3 | C4 | 121.2° | 119.1° |
| C2 | C3 | O3 | H3 | 119.3° | 120.4° |
| C2 | C3 | C4 | H3 | 119.3° | 119.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 175.5° | 173.7° |
| C2 | C3 | C4 | C5 | 54.7° | 53.9° |
| C2 | C3 | C4 | H4 | 65.2° | 66.2° |
| H2 | C2 | O2 | HO2 | 61.9° | 60.2° |
| H2 | C2 | C3 | O3 | 52.1° | 53.7° |
| H2 | C2 | C3 | C4 | 68.3° | 66.1° |
| H2 | C2 | C3 | H3 | 172.2° | 174.1° |
| O3 | C3 | C4 | H3 | 120.0° | 120.5° |
| O3 | C3 | C4 | O4 | 63.9° | 66.5° |
| O3 | C3 | C4 | C5 | 175.4° | 173.6° |
| O3 | C3 | C4 | H4 | 55.5° | 53.6° |
| C4 | C3 | O3 | HO3 | 58.8° | 179.2° |
| C3 | C4 | O4 | C5 | 120.2° | 119.5° |
| C3 | C4 | O4 | H4 | 119.9° | 120.1° |
| C3 | C4 | C5 | H4 | 120.0° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 60.6° | 61.4° |
| C3 | C4 | C5 | C6 | 178.7° | 178.6° |
| C3 | C4 | C5 | H5 | 61.2° | 58.7° |
| H3 | C3 | O3 | HO3 | 60.7° | 60.4° |
| H3 | C3 | C4 | O4 | 56.2° | 54.0° |
| H3 | C3 | C4 | C5 | 64.6° | 65.9° |
| H3 | C3 | C4 | H4 | 175.5° | 174.1° |
| O4 | C4 | C5 | H4 | 119.4° | 120.2° |
| O4 | C4 | C5 | O5 | 178.7° | 178.8° |
| O4 | C4 | C5 | C6 | 60.6° | 58.7° |
| O4 | C4 | C5 | H5 | 59.5° | 61.1° |
| C5 | C4 | O4 | HO4 | 59.8° | 179.6° |
| C4 | C5 | O5 | C6 | 121.7° | 120.1° |
| C4 | C5 | O5 | H5 | 118.3° | 120.1° |
| C4 | C5 | C6 | H5 | 118.3° | 119.9° |
| C4 | C5 | C6 | O6 | 51.6° | 174.9° |
| C4 | C5 | C6 | H61 | 73.7° | 65.1° |
| C4 | C5 | C6 | H62 | 176.9° | 54.9° |
| H4 | C4 | O4 | HO4 | 60.1° | 60.1° |
| H4 | C4 | C5 | O5 | 59.4° | 58.5° |
| H4 | C4 | C5 | C6 | 58.7° | 61.5° |
| H4 | C4 | C5 | H5 | 178.8° | 178.6° |
| O5 | C5 | C6 | H5 | 121.8° | 119.8° |
| O5 | C5 | C6 | O6 | 68.3° | 64.8° |
| O5 | C5 | C6 | H61 | 166.4° | 55.1° |
| O5 | C5 | C6 | H62 | 56.9° | 175.1° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.6° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 169.9° | 55.0° |
| H5 | C5 | C6 | H61 | 44.6° | 174.9° |
| H5 | C5 | C6 | H62 | 64.8° | 65.1° |
| O6 | C6 | H61 | H62 | 117.7° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
| O7 | C7 | C8 | F1 | 165.5° | 0.0° |
| O7 | C7 | C8 | F2 | 73.9° | 120.0° |
| O7 | C7 | C8 | F3 | 46.5° | 120.0° |
| C7 | C8 | F1 | F2 | 120.1° | 119.9° |
| C7 | C8 | F1 | F3 | 117.6° | 120.0° |
| C7 | C8 | F2 | F3 | 118.3° | 120.0° |
| F1 | C8 | F2 | F3 | 121.8° | 120.1° |
