NMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C14 | sing | 1.40Å | 1.35Å | |
| C1 | N1 | sing | 1.35Å | 1.46Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | N2 | sing | 1.35Å | 1.40Å | |
| N1 | C5 | sing | 1.37Å | 1.39Å | |
| N1 | C6 | sing | 1.46Å | 1.47Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | doub | 1.22Å | 1.35Å | |
| C2 | C3 | sing | 1.42Å | 1.43Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C5 | doub | 1.35Å | 1.38Å | |
| O3 | C13 | sing | 1.43Å | 1.40Å | |
| C5 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C14 | C12 | 110.5° | 109.5° |
| F | C14 | H14 | 109.1° | 109.5° |
| F | C14 | H14A | 109.1° | 109.4° |
| N1 | C1 | O1 | 119.0° | 119.5° |
| N1 | C1 | N2 | 118.6° | 120.9° |
| C1 | N1 | C5 | 121.3° | 120.6° |
| C1 | N1 | C6 | 116.4° | 119.7° |
| O1 | C1 | N2 | 122.4° | 119.5° |
| C1 | N2 | C2 | 117.3° | 120.3° |
| C1 | N2 | HN2 | 121.4° | 119.9° |
| C5 | N1 | C6 | 122.3° | 119.8° |
| N1 | C5 | C3 | 119.4° | 119.7° |
| N1 | C5 | C11 | 121.7° | 120.1° |
| N1 | C6 | H6 | 109.5° | 109.5° |
| N1 | C6 | H6A | 109.4° | 109.5° |
| N1 | C6 | H6B | 109.4° | 109.5° |
| N2 | C2 | O2 | 117.4° | 120.3° |
| N2 | C2 | C3 | 126.4° | 119.4° |
| C2 | N2 | HN2 | 121.4° | 119.8° |
| O2 | C2 | C3 | 116.2° | 120.3° |
| C2 | C3 | C4 | 117.9° | 120.4° |
| C2 | C3 | C5 | 117.0° | 119.1° |
| C4 | C3 | C5 | 125.1° | 120.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C5 | C11 | 118.9° | 120.2° |
| O3 | C13 | C12 | 106.0° | 109.5° |
| C13 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C13 | H13 | 110.6° | 109.5° |
| O3 | C13 | H13A | 110.7° | 109.5° |
| C5 | C11 | C12 | 116.8° | 109.5° |
| C5 | C11 | H11 | 107.1° | 109.5° |
| C5 | C11 | H11A | 107.1° | 109.5° |
| C11 | C12 | C13 | 107.9° | 109.5° |
| C11 | C12 | C14 | 111.7° | 109.5° |
| C12 | C11 | H11 | 107.1° | 109.5° |
| C12 | C11 | H11A | 107.1° | 109.5° |
| C11 | C12 | H12 | 107.8° | 109.4° |
| C13 | C12 | C14 | 105.2° | 109.5° |
| C13 | C12 | H12 | 114.0° | 109.5° |
| C12 | C13 | H13 | 110.7° | 109.5° |
| C12 | C13 | H13A | 110.7° | 109.5° |
| C14 | C12 | H12 | 110.3° | 109.5° |
| C12 | C14 | H14 | 109.1° | 109.5° |
| C12 | C14 | H14A | 109.1° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.4° |
| H11 | C11 | H11A | 111.7° | 109.4° |
| H13 | C13 | H13A | 108.3° | 109.4° |
| H14 | C14 | H14A | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C14 | C12 | C11 | 57.1° | 66.4° |
| F | C14 | C12 | C13 | 59.7° | 173.6° |
| F | C14 | C12 | H14 | 120.0° | 120.1° |
| F | C14 | C12 | H14A | 120.0° | 120.0° |
| F | C14 | C12 | H12 | 176.9° | 53.6° |
| F | C14 | H14 | H14A | 119.6° | 119.9° |
| N1 | C1 | O1 | N2 | 179.8° | 179.8° |
| C1 | N1 | C5 | C6 | 179.6° | 180.0° |
| N1 | C1 | N2 | C2 | 0.0° | 0.1° |
| C1 | N1 | C5 | C3 | 0.1° | 0.0° |
| C1 | N1 | C5 | C11 | 179.7° | 179.9° |
| N1 | C1 | N2 | HN2 | 180.0° | 180.0° |
| C1 | N1 | C6 | H6 | 180.0° | 5.3° |
| C1 | N1 | C6 | H6A | 60.0° | 114.8° |
| C1 | N1 | C6 | H6B | 60.0° | 125.3° |
| O1 | C1 | N1 | C5 | 179.6° | 179.9° |
| O1 | C1 | N1 | C6 | 0.0° | 0.1° |
| O1 | C1 | N2 | C2 | 179.7° | 179.8° |
| O1 | C1 | N2 | HN2 | 0.3° | 0.2° |
| N2 | C1 | N1 | C5 | 0.1° | 0.2° |
| N2 | C1 | N1 | C6 | 179.7° | 179.8° |
| C1 | N2 | C2 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C2 | O2 | 179.6° | 180.0° |
| C1 | N2 | C2 | C3 | 0.1° | 0.5° |
| N1 | C5 | C3 | C2 | 0.0° | 0.5° |
| N1 | C5 | C3 | C4 | 179.7° | 179.7° |
| N1 | C5 | C3 | C11 | 179.8° | 179.9° |
| N1 | C5 | C11 | C12 | 102.6° | 76.7° |
| C5 | N1 | C6 | H6 | 0.4° | 174.8° |
| C5 | N1 | C6 | H6A | 120.4° | 65.2° |
| C5 | N1 | C6 | H6B | 119.6° | 54.7° |
| N1 | C5 | C11 | H11 | 17.4° | 163.3° |
| N1 | C5 | C11 | H11A | 137.4° | 43.3° |
| C6 | N1 | C5 | C3 | 179.7° | 180.0° |
| C6 | N1 | C5 | C11 | 0.1° | 0.1° |
| N1 | C6 | H6 | H6A | 120.0° | 120.0° |
| N1 | C6 | H6 | H6B | 120.0° | 120.1° |
| N1 | C6 | H6A | H6B | 120.0° | 120.0° |
| N2 | C2 | O2 | C3 | 179.8° | 179.5° |
| N2 | C2 | C3 | C4 | 179.9° | 180.0° |
| N2 | C2 | C3 | C5 | 0.1° | 0.7° |
| O2 | C2 | C3 | C4 | 0.1° | 0.5° |
| O2 | C2 | C3 | C5 | 179.6° | 179.7° |
| O2 | C2 | N2 | HN2 | 0.4° | 0.0° |
| C2 | C3 | C4 | C5 | 179.7° | 179.3° |
| C2 | C3 | C5 | C11 | 179.8° | 179.5° |
| C3 | C2 | N2 | HN2 | 179.9° | 179.5° |
| C2 | C3 | C4 | H4 | 180.0° | 0.0° |
| C2 | C3 | C4 | H4A | 60.0° | 120.0° |
| C2 | C3 | C4 | H4B | 60.0° | 120.0° |
| C4 | C3 | C5 | C11 | 0.5° | 0.2° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C3 | C5 | C11 | C12 | 77.6° | 103.4° |
| C5 | C3 | C4 | H4 | 0.3° | 179.3° |
| C5 | C3 | C4 | H4A | 120.3° | 59.3° |
| C5 | C3 | C4 | H4B | 119.7° | 60.7° |
| C3 | C5 | C11 | H11 | 162.4° | 16.6° |
| C3 | C5 | C11 | H11A | 42.4° | 136.6° |
| O3 | C13 | C12 | C11 | 150.3° | 175.0° |
| O3 | C13 | C12 | H13 | 120.0° | 120.0° |
| O3 | C13 | C12 | H13A | 120.0° | 120.0° |
| O3 | C13 | C12 | C14 | 90.3° | 65.0° |
| O3 | C13 | C12 | H12 | 30.6° | 55.1° |
| O3 | C13 | H13 | H13A | 121.4° | 120.0° |
| C5 | C11 | C12 | H11 | 120.0° | 120.0° |
| C5 | C11 | C12 | H11A | 120.0° | 120.0° |
| C5 | C11 | C12 | C13 | 177.9° | 173.9° |
| C5 | C11 | C12 | C14 | 66.9° | 66.1° |
| C5 | C11 | H11 | H11A | 117.0° | 120.0° |
| C5 | C11 | C12 | H12 | 54.4° | 53.9° |
| C11 | C12 | C13 | C14 | 119.4° | 120.0° |
| C11 | C12 | C13 | H12 | 119.7° | 119.9° |
| C11 | C12 | C14 | H12 | 119.9° | 120.0° |
| C12 | C11 | H11 | H11A | 117.0° | 120.0° |
| C11 | C12 | C13 | H13 | 30.3° | 55.0° |
| C11 | C12 | C13 | H13A | 89.7° | 65.0° |
| C11 | C12 | C14 | H14 | 62.9° | 173.6° |
| C11 | C12 | C14 | H14A | 177.1° | 53.6° |
| C13 | C12 | C14 | H12 | 123.3° | 120.0° |
| C12 | C13 | O3 | HO3 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 62.1° | 66.1° |
| C13 | C12 | C11 | H11A | 57.9° | 53.9° |
| C12 | C13 | H13 | H13A | 121.4° | 120.0° |
| C13 | C12 | C14 | H14 | 179.7° | 53.6° |
| C13 | C12 | C14 | H14A | 60.3° | 66.4° |
| C14 | C12 | C11 | H11 | 53.1° | 53.9° |
| C14 | C12 | C11 | H11A | 173.1° | 173.9° |
| C14 | C12 | C13 | H13 | 149.7° | 175.0° |
| C14 | C12 | C13 | H13A | 29.7° | 55.0° |
| C12 | C14 | H14 | H14A | 119.6° | 120.0° |
| HO3 | O3 | C13 | H13 | 60.0° | 60.0° |
| HO3 | O3 | C13 | H13A | 60.0° | 59.9° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 174.4° | 173.9° |
| H11A | C11 | C12 | H12 | 65.6° | 66.1° |
| H12 | C12 | C13 | H13 | 89.4° | 64.9° |
| H12 | C12 | C13 | H13A | 150.6° | 175.1° |
| H12 | C12 | C14 | H14 | 56.9° | 66.5° |
| H12 | C12 | C14 | H14A | 63.0° | 173.6° |
