NFX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C15 | sing | 1.35Å | 1.37Å | |
| CL | C13 | sing | 1.74Å | 1.78Å | |
| O02 | C19 | doub | 1.22Å | 1.19Å | |
| O03 | C20 | doub | 1.22Å | 1.18Å | |
| O | C20 | sing | 1.35Å | 1.19Å | |
| N01 | C03 | sing | 1.48Å | 1.46Å | |
| N01 | C04 | sing | 1.49Å | 1.43Å | |
| N01 | C11 | sing | 1.39Å | 1.48Å | |
| N | C06 | sing | 1.47Å | 1.46Å | |
| N | C12 | sing | 1.38Å | 1.59Å | |
| N | C16 | sing | 1.34Å | 1.56Å | |
| C01 | C02 | sing | 1.55Å | 1.44Å | |
| C01 | C03 | sing | 1.54Å | 1.48Å | |
| C01 | N05 | sing | 1.47Å | 1.37Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C02 | C04 | sing | 1.55Å | 1.50Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C06 | C09 | sing | 1.53Å | 1.53Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C11 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C15 | sing | 1.40Å | 1.55Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.61Å | Aromatic |
| C12 | C14 | doub | 1.41Å | 1.33Å | Aromatic |
| C14 | C17 | sing | 1.40Å | 1.59Å | Aromatic |
| C14 | C19 | sing | 1.47Å | 1.54Å | |
| C15 | C17 | doub | 1.37Å | 1.38Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.35Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.47Å | 1.52Å | |
| C18 | C20 | sing | 1.47Å | 1.53Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| N05 | H05 | sing | 1.01Å | 1.00Å | |
| N05 | H05A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C15 | C11 | 120.3° | 119.8° |
| F | C15 | C17 | 119.5° | 119.9° |
| CL | C13 | C11 | 120.6° | 120.1° |
| CL | C13 | C12 | 118.9° | 120.1° |
| O02 | C19 | C14 | 120.3° | 121.3° |
| O02 | C19 | C18 | 119.2° | 121.4° |
| O03 | C20 | O | 119.3° | 120.0° |
| O03 | C20 | C18 | 119.8° | 120.0° |
| O | C20 | C18 | 120.8° | 120.0° |
| C20 | O | HO | 109.5° | 117.0° |
| C03 | N01 | C04 | 101.6° | 105.8° |
| C03 | N01 | C11 | 129.2° | 111.0° |
| N01 | C03 | C01 | 109.2° | 107.1° |
| N01 | C03 | H03 | 109.6° | 109.9° |
| N01 | C03 | H03A | 109.6° | 109.9° |
| C04 | N01 | C11 | 128.9° | 111.0° |
| N01 | C04 | C02 | 99.3° | 103.3° |
| N01 | C04 | H04 | 113.0° | 110.7° |
| N01 | C04 | H04A | 115.1° | 110.6° |
| N01 | C11 | C13 | 122.1° | 119.8° |
| N01 | C11 | C15 | 118.6° | 119.7° |
| C06 | N | C12 | 123.1° | 118.6° |
| C06 | N | C16 | 119.9° | 118.7° |
| N | C06 | C08 | 116.7° | 117.5° |
| N | C06 | C09 | 117.6° | 117.5° |
| N | C06 | H06 | 93.4° | 115.5° |
| C12 | N | C16 | 116.9° | 122.7° |
| N | C12 | C13 | 120.4° | 120.5° |
| N | C12 | C14 | 120.4° | 120.3° |
| N | C16 | C18 | 121.6° | 122.2° |
| N | C16 | H16 | 119.2° | 118.9° |
| C02 | C01 | C03 | 87.3° | 105.1° |
| C02 | C01 | N05 | 128.2° | 110.3° |
| C02 | C01 | H01 | 124.4° | 110.3° |
| C01 | C02 | C04 | 102.8° | 102.9° |
| C01 | C02 | H02 | 111.8° | 110.7° |
| C01 | C02 | H02A | 113.2° | 110.7° |
| C03 | C01 | N05 | 129.8° | 110.3° |
| C03 | C01 | H01 | 122.4° | 110.3° |
| C01 | C03 | H03 | 109.5° | 109.9° |
| C01 | C03 | H03A | 109.6° | 109.9° |
| N05 | C01 | H01 | 70.1° | 110.4° |
| C01 | N05 | H05 | 109.5° | 111.0° |
| C01 | N05 | H05A | 109.5° | 111.0° |
| C04 | C02 | H02 | 111.8° | 110.8° |
| C02 | C04 | H04 | 113.0° | 110.7° |
| C02 | C04 | H04A | 115.1° | 110.7° |
| C04 | C02 | H02A | 113.2° | 110.7° |
| H02 | C02 | H02A | 104.4° | 110.8° |
| H03 | C03 | H03A | 109.3° | 110.0° |
| H04 | C04 | H04A | 101.9° | 110.7° |
| C08 | C06 | C09 | 59.4° | 60.0° |
| C08 | C06 | H06 | 135.7° | 117.6° |
| C06 | C08 | C09 | 60.2° | 60.0° |
| C06 | C08 | H08 | 130.8° | 117.4° |
| C06 | C08 | H08A | 135.9° | 117.5° |
| C09 | C06 | H06 | 135.0° | 117.5° |
| C06 | C09 | C08 | 60.5° | 60.0° |
| C06 | C09 | H09 | 130.7° | 117.5° |
| C06 | C09 | H09A | 135.8° | 117.5° |
| C09 | C08 | H08 | 130.8° | 117.5° |
| C09 | C08 | H08A | 135.9° | 117.5° |
| C08 | C09 | H09 | 130.7° | 117.5° |
| C08 | C09 | H09A | 135.8° | 117.5° |
| H08 | C08 | H08A | 74.9° | 115.6° |
| H09 | C09 | H09A | 75.0° | 115.6° |
| C13 | C11 | C15 | 119.3° | 120.5° |
| C11 | C13 | C12 | 120.5° | 119.8° |
| C11 | C15 | C17 | 120.2° | 120.3° |
| C13 | C12 | C14 | 119.2° | 119.2° |
| C12 | C14 | C17 | 120.7° | 120.3° |
| C12 | C14 | C19 | 120.6° | 118.6° |
| C17 | C14 | C19 | 118.7° | 121.1° |
| C14 | C17 | C15 | 120.1° | 119.9° |
| C14 | C17 | H17 | 119.9° | 120.0° |
| C14 | C19 | C18 | 120.5° | 117.2° |
| C15 | C17 | H17 | 119.9° | 120.1° |
| C18 | C16 | H16 | 119.2° | 119.0° |
| C16 | C18 | C19 | 120.0° | 119.0° |
| C16 | C18 | C20 | 121.1° | 120.5° |
| C19 | C18 | C20 | 118.9° | 120.5° |
| H05 | N05 | H05A | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C15 | C11 | N01 | 0.2° | 0.0° |
| F | C15 | C11 | C13 | 179.8° | 180.0° |
| F | C15 | C11 | C17 | 179.8° | 180.0° |
| F | C15 | C17 | C14 | 179.8° | 180.0° |
| F | C15 | C17 | H17 | 0.2° | 0.0° |
| CL | C13 | C11 | N01 | 0.3° | 0.0° |
| CL | C13 | C12 | N | 0.6° | 0.0° |
| CL | C13 | C11 | C12 | 179.8° | 180.0° |
| CL | C13 | C11 | C15 | 179.9° | 180.0° |
| CL | C13 | C12 | C14 | 180.0° | 180.0° |
| O02 | C19 | C14 | C12 | 179.7° | 180.0° |
| O02 | C19 | C14 | C17 | 1.2° | 0.1° |
| O02 | C19 | C14 | C18 | 178.0° | 179.8° |
| O02 | C19 | C18 | C16 | 179.6° | 180.0° |
| O02 | C19 | C18 | C20 | 2.3° | 0.1° |
| O03 | C20 | O | C18 | 176.6° | 179.9° |
| O03 | C20 | C18 | C16 | 148.2° | 0.0° |
| O03 | C20 | C18 | C19 | 29.9° | 180.0° |
| O03 | C20 | O | HO | 0.0° | 0.1° |
| O | C20 | C18 | C16 | 35.2° | 180.0° |
| O | C20 | C18 | C19 | 146.7° | 0.1° |
| C03 | N01 | C04 | C11 | 174.4° | 120.5° |
| N01 | C03 | C01 | C02 | 50.4° | 1.3° |
| N01 | C03 | C01 | H03 | 120.0° | 119.4° |
| N01 | C03 | C01 | H03A | 120.1° | 119.4° |
| N01 | C03 | C01 | N05 | 169.6° | 120.1° |
| N01 | C03 | C01 | H01 | 79.3° | 117.6° |
| C03 | N01 | C04 | C02 | 16.0° | 39.2° |
| N01 | C03 | H03 | H03A | 120.1° | 121.2° |
| C03 | N01 | C04 | H04 | 104.1° | 157.7° |
| C03 | N01 | C04 | H04A | 139.4° | 79.3° |
| C03 | N01 | C11 | C13 | 2.9° | 120.0° |
| C03 | N01 | C11 | C15 | 176.7° | 60.0° |
| N01 | C04 | C02 | C01 | 51.7° | 37.4° |
| C04 | N01 | C03 | C01 | 22.3° | 25.3° |
| N01 | C04 | C02 | H04 | 120.0° | 118.5° |
| N01 | C04 | C02 | H04A | 123.4° | 118.4° |
| N01 | C04 | C02 | H02 | 68.3° | 155.7° |
| C04 | N01 | C03 | H03 | 97.7° | 94.1° |
| C04 | N01 | C03 | H03A | 142.4° | 144.7° |
| N01 | C04 | H04 | H04A | 124.1° | 123.1° |
| C04 | N01 | C11 | C13 | 170.0° | 122.6° |
| C04 | N01 | C11 | C15 | 10.4° | 57.4° |
| N01 | C04 | C02 | H02A | 174.2° | 80.9° |
| C11 | N01 | C03 | C01 | 163.3° | 145.8° |
| C11 | N01 | C04 | C02 | 158.4° | 159.7° |
| C11 | N01 | C03 | H03 | 76.7° | 26.4° |
| C11 | N01 | C03 | H03A | 43.2° | 94.8° |
| C11 | N01 | C04 | H04 | 81.5° | 81.8° |
| C11 | N01 | C04 | H04A | 35.0° | 41.3° |
| N01 | C11 | C13 | C15 | 179.6° | 180.0° |
| N01 | C11 | C13 | C12 | 179.5° | 180.0° |
| N01 | C11 | C15 | C17 | 179.6° | 180.0° |
| C06 | N | C12 | C16 | 176.4° | 179.7° |
| N | C06 | C08 | C09 | 107.8° | 107.5° |
| N | C06 | C08 | H06 | 127.6° | 145.1° |
| N | C06 | C09 | H06 | 128.0° | 145.0° |
| N | C06 | C08 | H08 | 132.3° | 145.1° |
| N | C06 | C08 | H08A | 19.0° | 0.1° |
| N | C06 | C09 | H09 | 13.8° | 0.0° |
| N | C06 | C09 | H09A | 127.0° | 145.0° |
| C06 | N | C12 | C13 | 2.8° | 0.0° |
| C06 | N | C12 | C14 | 177.9° | 180.0° |
| C06 | N | C16 | C18 | 178.1° | 180.0° |
| C06 | N | C16 | H16 | 1.9° | 0.0° |
| C12 | N | C06 | C08 | 161.2° | 90.8° |
| C12 | N | C06 | C09 | 93.5° | 159.4° |
| C12 | N | C06 | H06 | 52.5° | 55.0° |
| N | C12 | C13 | C11 | 179.1° | 180.0° |
| N | C12 | C13 | C14 | 179.3° | 180.0° |
| N | C12 | C14 | C17 | 179.2° | 180.0° |
| N | C12 | C14 | C19 | 0.1° | 0.0° |
| C12 | N | C16 | C18 | 1.6° | 0.3° |
| C12 | N | C16 | H16 | 178.4° | 179.7° |
| C16 | N | C06 | C08 | 22.5° | 89.5° |
| C16 | N | C06 | C09 | 90.2° | 20.9° |
| C16 | N | C06 | H06 | 123.8° | 124.7° |
| C16 | N | C12 | C13 | 179.2° | 179.7° |
| C16 | N | C12 | C14 | 1.5° | 0.3° |
| N | C16 | C18 | H16 | 180.0° | 180.0° |
| N | C16 | C18 | C19 | 0.1° | 0.0° |
| N | C16 | C18 | C20 | 178.0° | 180.0° |
| C02 | C01 | C03 | N05 | 140.0° | 118.9° |
| C02 | C01 | C03 | H01 | 129.8° | 118.9° |
| C02 | C01 | N05 | H01 | 118.7° | 122.2° |
| C01 | C02 | C04 | H02 | 120.0° | 118.4° |
| C01 | C02 | C04 | H02A | 122.4° | 118.3° |
| C01 | C02 | H02 | H02A | 122.7° | 123.2° |
| C02 | C01 | C03 | H03 | 69.6° | 118.2° |
| C02 | C01 | C03 | H03A | 170.5° | 120.6° |
| C01 | C02 | C04 | H04 | 68.3° | 155.9° |
| C01 | C02 | C04 | H04A | 175.2° | 81.1° |
| C02 | C01 | N05 | H05 | 122.4° | 61.5° |
| C02 | C01 | N05 | H05A | 117.6° | 62.4° |
| C03 | C01 | N05 | H01 | 116.1° | 122.2° |
| C03 | C01 | C02 | C04 | 59.6° | 21.9° |
| C03 | C01 | C02 | H02 | 60.4° | 140.3° |
| C01 | C03 | H03 | H03A | 120.1° | 121.1° |
| C03 | C01 | C02 | H02A | 178.0° | 96.4° |
| C03 | C01 | N05 | H05 | 2.9° | 177.1° |
| C03 | C01 | N05 | H05A | 117.2° | 53.2° |
| N05 | C01 | C02 | C04 | 159.3° | 97.0° |
| N05 | C01 | C02 | H02 | 80.7° | 21.4° |
| N05 | C01 | C03 | H03 | 70.4° | 0.7° |
| N05 | C01 | C03 | H03A | 49.5° | 120.5° |
| N05 | C01 | C02 | H02A | 36.9° | 144.7° |
| C01 | N05 | H05 | H05A | 120.0° | 123.9° |
| H01 | C01 | C02 | C04 | 68.5° | 140.8° |
| H01 | C01 | C02 | H02 | 171.5° | 100.8° |
| H01 | C01 | C03 | H03 | 160.7° | 123.0° |
| H01 | C01 | C03 | H03A | 40.8° | 1.8° |
| H01 | C01 | C02 | H02A | 53.9° | 22.5° |
| H01 | C01 | N05 | H05 | 118.9° | 60.7° |
| H01 | C01 | N05 | H05A | 1.1° | 175.4° |
| C04 | C02 | H02 | H02A | 122.7° | 123.3° |
| C02 | C04 | H04 | H04A | 124.1° | 123.1° |
| H02 | C02 | C04 | H04 | 171.7° | 85.8° |
| H02 | C02 | C04 | H04A | 55.2° | 37.3° |
| H04 | C04 | C02 | H02A | 54.2° | 37.6° |
| H04A | C04 | C02 | H02A | 62.4° | 160.6° |
| C08 | C06 | C09 | H06 | 125.7° | 107.6° |
| C06 | C08 | C09 | H08 | 120.0° | 107.4° |
| C06 | C08 | C09 | H08A | 126.7° | 107.5° |
| C06 | C08 | H08 | H08A | 138.5° | 145.6° |
| C08 | C06 | C09 | H09 | 120.0° | 107.4° |
| C08 | C06 | C09 | H09A | 126.8° | 107.5° |
| C06 | C09 | H09 | H09A | 138.4° | 145.7° |
| H06 | C06 | C08 | H08 | 4.7° | 0.0° |
| H06 | C06 | C08 | H08A | 108.6° | 145.0° |
| H06 | C06 | C09 | H09 | 114.3° | 145.0° |
| H06 | C06 | C09 | H09A | 1.1° | 0.1° |
| C09 | C08 | H08 | H08A | 138.5° | 145.8° |
| C08 | C09 | H09 | H09A | 138.4° | 145.7° |
| H08 | C08 | C09 | H09 | 120.0° | 145.1° |
| H08 | C08 | C09 | H09A | 6.8° | 0.0° |
| H08A | C08 | C09 | H09 | 6.7° | 0.0° |
| H08A | C08 | C09 | H09A | 106.5° | 145.1° |
| C11 | C13 | C12 | C14 | 0.2° | 0.0° |
| C13 | C11 | C15 | C17 | 0.0° | 0.0° |
| C15 | C11 | C13 | C12 | 0.1° | 0.0° |
| C11 | C15 | C17 | C14 | 0.0° | 0.0° |
| C11 | C15 | C17 | H17 | 179.9° | 180.0° |
| C13 | C12 | C14 | C17 | 0.1° | 0.0° |
| C13 | C12 | C14 | C19 | 179.2° | 180.0° |
| C12 | C14 | C17 | C19 | 179.1° | 179.9° |
| C12 | C14 | C17 | C15 | 0.0° | 0.0° |
| C12 | C14 | C17 | H17 | 180.0° | 180.0° |
| C12 | C14 | C19 | C18 | 1.7° | 0.2° |
| C14 | C17 | C15 | H17 | 180.0° | 180.0° |
| C17 | C14 | C19 | C18 | 179.2° | 179.7° |
| C19 | C14 | C17 | C15 | 179.1° | 180.0° |
| C14 | C19 | C18 | C16 | 1.6° | 0.2° |
| C19 | C14 | C17 | H17 | 0.9° | 0.1° |
| C14 | C19 | C18 | C20 | 179.7° | 179.7° |
| C16 | C18 | C19 | C20 | 178.1° | 180.0° |
| H16 | C16 | C18 | C19 | 179.9° | 180.0° |
| H16 | C16 | C18 | C20 | 2.1° | 0.0° |
| C18 | C20 | O | HO | 176.6° | 180.0° |
