N1F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL18 | C17 | sing | 1.74Å | 1.76Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N19 | sing | 1.32Å | 1.30Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| N19 | N20 | doub | 1.28Å | 1.33Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| N20 | C14 | sing | 1.32Å | 1.30Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.43Å | |
| N13 | C21 | sing | 1.47Å | 1.49Å | |
| N13 | C12 | sing | 1.47Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C22 | N10 | sing | 1.47Å | 1.41Å | |
| C11 | N10 | sing | 1.47Å | 1.40Å | |
| N10 | C09 | sing | 1.35Å | 1.43Å | |
| C09 | C08 | sing | 1.51Å | 1.51Å | |
| C09 | O23 | doub | 1.21Å | 1.18Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.46Å | |
| O26 | C02 | doub | 1.21Å | 1.19Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| N03 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL18 | C17 | C16 | 119.6° | 120.0° |
| CL18 | C17 | N19 | 116.9° | 120.0° |
| C16 | C17 | N19 | 123.6° | 120.0° |
| C17 | C16 | C15 | 115.9° | 118.1° |
| C17 | C16 | H18 | 122.0° | 121.0° |
| C17 | N19 | N20 | 120.2° | 122.3° |
| C16 | C15 | C14 | 116.8° | 117.8° |
| C16 | C15 | H1 | 121.6° | 121.0° |
| C15 | C16 | H18 | 122.1° | 120.9° |
| N19 | N20 | C14 | 120.8° | 122.1° |
| C15 | C14 | N20 | 122.7° | 119.8° |
| C15 | C14 | N13 | 120.4° | 120.1° |
| C14 | C15 | H1 | 121.6° | 121.1° |
| N20 | C14 | N13 | 116.8° | 120.1° |
| C14 | N13 | C21 | 122.5° | 111.0° |
| C14 | N13 | C12 | 121.7° | 111.0° |
| C21 | N13 | C12 | 115.2° | 111.3° |
| N13 | C21 | C22 | 109.4° | 109.3° |
| N13 | C21 | H2 | 109.5° | 109.5° |
| N13 | C21 | H3 | 109.5° | 109.5° |
| N13 | C12 | C11 | 112.7° | 109.3° |
| N13 | C12 | H16 | 108.6° | 109.5° |
| N13 | C12 | H17 | 108.7° | 109.5° |
| C21 | C22 | N10 | 111.6° | 108.5° |
| C22 | C21 | H2 | 109.5° | 109.5° |
| C22 | C21 | H3 | 109.5° | 109.5° |
| C21 | C22 | H4 | 108.9° | 109.7° |
| C21 | C22 | H5 | 108.9° | 109.7° |
| C12 | C11 | N10 | 108.9° | 108.5° |
| C12 | C11 | H14 | 109.6° | 109.6° |
| C12 | C11 | H15 | 109.6° | 109.8° |
| C11 | C12 | H16 | 108.7° | 109.5° |
| C11 | C12 | H17 | 108.6° | 109.5° |
| C22 | N10 | C11 | 115.8° | 118.2° |
| C22 | N10 | C09 | 121.8° | 120.9° |
| N10 | C22 | H4 | 109.0° | 109.6° |
| N10 | C22 | H5 | 108.9° | 109.6° |
| C11 | N10 | C09 | 122.4° | 120.9° |
| N10 | C11 | H14 | 109.6° | 109.6° |
| N10 | C11 | H15 | 109.6° | 109.7° |
| N10 | C09 | C08 | 116.6° | 120.0° |
| N10 | C09 | O23 | 120.7° | 120.0° |
| C08 | C09 | O23 | 122.7° | 120.0° |
| C09 | C08 | C07 | 112.8° | 109.5° |
| C09 | C08 | H12 | 108.7° | 109.4° |
| C09 | C08 | H13 | 108.6° | 109.5° |
| C08 | C07 | C06 | 121.2° | 119.9° |
| C08 | C07 | C24 | 117.3° | 120.0° |
| C07 | C08 | H12 | 108.6° | 109.5° |
| C07 | C08 | H13 | 108.7° | 109.5° |
| C07 | C06 | C05 | 119.4° | 120.1° |
| C06 | C07 | C24 | 121.6° | 120.1° |
| C07 | C06 | H11 | 120.3° | 119.9° |
| C06 | C05 | C04 | 119.2° | 119.9° |
| C06 | C05 | H10 | 120.4° | 120.1° |
| C05 | C06 | H11 | 120.3° | 120.0° |
| C07 | C24 | C25 | 118.8° | 120.1° |
| C07 | C24 | H6 | 120.6° | 119.9° |
| C05 | C04 | C25 | 120.4° | 119.8° |
| C05 | C04 | N03 | 122.5° | 120.1° |
| C04 | C05 | H10 | 120.4° | 120.0° |
| C24 | C25 | C04 | 120.7° | 120.0° |
| C25 | C24 | H6 | 120.6° | 120.0° |
| C24 | C25 | H19 | 119.6° | 120.0° |
| C25 | C04 | N03 | 117.0° | 120.1° |
| C04 | C25 | H19 | 119.7° | 120.0° |
| C04 | N03 | C02 | 126.4° | 120.0° |
| C04 | N03 | H20 | 116.8° | 120.0° |
| O26 | C02 | N03 | 122.3° | 120.0° |
| O26 | C02 | C01 | 120.4° | 120.0° |
| N03 | C02 | C01 | 117.3° | 120.0° |
| C02 | N03 | H20 | 116.8° | 120.0° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.8° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.6° |
| H16 | C12 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL18 | C17 | C16 | N19 | 179.6° | 179.5° |
| CL18 | C17 | C16 | C15 | 179.5° | 179.9° |
| CL18 | C17 | N19 | N20 | 179.7° | 179.8° |
| CL18 | C17 | C16 | H18 | 0.5° | 0.0° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C16 | C17 | N19 | N20 | 0.2° | 0.7° |
| C17 | C16 | C15 | C14 | 0.2° | 0.1° |
| C17 | C16 | C15 | H1 | 179.8° | 179.7° |
| N19 | C17 | C16 | C15 | 0.1° | 0.5° |
| C17 | N19 | N20 | C14 | 0.2° | 0.5° |
| N19 | C17 | C16 | H18 | 180.0° | 179.5° |
| C16 | C15 | C14 | H1 | 180.0° | 179.6° |
| C16 | C15 | C14 | N20 | 0.1° | 0.4° |
| C16 | C15 | C14 | N13 | 179.3° | 179.7° |
| N19 | N20 | C14 | C15 | 0.1° | 0.1° |
| N19 | N20 | C14 | N13 | 179.1° | 179.9° |
| C15 | C14 | N20 | N13 | 179.2° | 180.0° |
| C15 | C14 | N13 | C21 | 17.0° | 180.0° |
| C15 | C14 | N13 | C12 | 172.3° | 55.7° |
| C14 | C15 | C16 | H18 | 179.8° | 180.0° |
| N20 | C14 | N13 | C21 | 163.8° | 0.0° |
| N20 | C14 | N13 | C12 | 6.9° | 124.3° |
| N20 | C14 | C15 | H1 | 179.9° | 180.0° |
| C14 | N13 | C21 | C12 | 171.2° | 124.1° |
| C14 | N13 | C21 | C22 | 143.5° | 172.7° |
| C14 | N13 | C12 | C11 | 143.0° | 172.7° |
| N13 | C14 | C15 | H1 | 0.7° | 0.1° |
| C14 | N13 | C21 | H2 | 23.6° | 67.3° |
| C14 | N13 | C21 | H3 | 96.5° | 52.8° |
| C14 | N13 | C12 | H16 | 96.6° | 52.8° |
| C14 | N13 | C12 | H17 | 22.5° | 67.3° |
| N13 | C21 | C22 | H2 | 120.0° | 120.0° |
| N13 | C21 | C22 | H3 | 120.0° | 120.0° |
| C21 | N13 | C12 | C11 | 45.7° | 63.1° |
| N13 | C21 | C22 | N10 | 50.9° | 53.8° |
| N13 | C21 | H2 | H3 | 120.0° | 120.1° |
| N13 | C21 | C22 | H4 | 69.4° | 65.9° |
| N13 | C21 | C22 | H5 | 171.2° | 173.5° |
| C21 | N13 | C12 | H16 | 74.7° | 176.9° |
| C21 | N13 | C12 | H17 | 166.2° | 56.9° |
| C12 | N13 | C21 | C22 | 45.2° | 63.1° |
| N13 | C12 | C11 | H16 | 120.5° | 119.9° |
| N13 | C12 | C11 | H17 | 120.5° | 120.0° |
| N13 | C12 | C11 | N10 | 49.2° | 53.9° |
| C12 | N13 | C21 | H2 | 165.2° | 56.9° |
| C12 | N13 | C21 | H3 | 74.7° | 176.9° |
| N13 | C12 | C11 | H14 | 169.1° | 173.5° |
| N13 | C12 | C11 | H15 | 70.7° | 66.0° |
| N13 | C12 | H16 | H17 | 118.5° | 120.1° |
| C21 | C22 | N10 | H4 | 120.3° | 119.7° |
| C21 | C22 | N10 | H5 | 120.3° | 119.7° |
| C21 | C22 | N10 | C11 | 61.8° | 51.2° |
| C21 | C22 | N10 | C09 | 118.5° | 128.8° |
| C22 | C21 | H2 | H3 | 120.1° | 120.0° |
| C21 | C22 | H4 | H5 | 119.0° | 120.5° |
| C12 | C11 | N10 | C22 | 59.2° | 51.2° |
| C12 | C11 | N10 | H14 | 119.9° | 119.6° |
| C12 | C11 | N10 | H15 | 119.9° | 119.9° |
| C12 | C11 | N10 | C09 | 121.1° | 128.8° |
| C12 | C11 | H14 | H15 | 120.3° | 120.6° |
| C11 | C12 | H16 | H17 | 118.5° | 120.1° |
| C22 | N10 | C11 | C09 | 179.7° | 180.0° |
| C22 | N10 | C09 | C08 | 0.7° | 180.0° |
| C22 | N10 | C09 | O23 | 179.5° | 0.0° |
| N10 | C22 | C21 | H2 | 170.9° | 66.2° |
| N10 | C22 | C21 | H3 | 69.0° | 173.8° |
| N10 | C22 | H4 | H5 | 119.0° | 120.4° |
| C22 | N10 | C11 | H14 | 179.1° | 170.8° |
| C22 | N10 | C11 | H15 | 60.7° | 68.7° |
| C11 | N10 | C09 | C08 | 179.6° | 0.0° |
| C11 | N10 | C09 | O23 | 0.2° | 180.0° |
| C11 | N10 | C22 | H4 | 58.6° | 68.5° |
| C11 | N10 | C22 | H5 | 177.9° | 170.9° |
| N10 | C11 | H14 | H15 | 120.3° | 120.4° |
| N10 | C11 | C12 | H16 | 71.2° | 173.8° |
| N10 | C11 | C12 | H17 | 169.7° | 66.1° |
| N10 | C09 | C08 | O23 | 179.9° | 180.0° |
| N10 | C09 | C08 | C07 | 151.0° | 180.0° |
| C09 | N10 | C22 | H4 | 121.2° | 111.5° |
| C09 | N10 | C22 | H5 | 1.8° | 9.1° |
| N10 | C09 | C08 | H12 | 30.5° | 60.0° |
| N10 | C09 | C08 | H13 | 88.5° | 60.0° |
| C09 | N10 | C11 | H14 | 1.2° | 9.1° |
| C09 | N10 | C11 | H15 | 119.0° | 111.3° |
| C09 | C08 | C07 | H12 | 120.5° | 119.9° |
| C09 | C08 | C07 | H13 | 120.5° | 120.0° |
| C09 | C08 | C07 | C06 | 68.4° | 90.0° |
| C09 | C08 | C07 | C24 | 111.1° | 90.0° |
| C09 | C08 | H12 | H13 | 118.5° | 120.0° |
| O23 | C09 | C08 | C07 | 29.1° | 0.1° |
| O23 | C09 | C08 | H12 | 149.6° | 120.0° |
| O23 | C09 | C08 | H13 | 91.4° | 119.9° |
| C08 | C07 | C06 | C24 | 179.4° | 180.0° |
| C08 | C07 | C06 | C05 | 179.7° | 179.5° |
| C08 | C07 | C24 | C25 | 179.2° | 180.0° |
| C08 | C07 | C24 | H6 | 0.8° | 0.3° |
| C08 | C07 | C06 | H11 | 0.3° | 0.0° |
| C07 | C08 | H12 | H13 | 118.5° | 120.0° |
| C07 | C06 | C05 | H11 | 180.0° | 179.5° |
| C07 | C06 | C05 | C04 | 0.6° | 0.8° |
| C06 | C07 | C24 | C25 | 1.4° | 0.0° |
| C06 | C07 | C24 | H6 | 178.6° | 179.7° |
| C07 | C06 | C05 | H10 | 179.4° | 179.8° |
| C06 | C07 | C08 | H12 | 52.2° | 150.0° |
| C06 | C07 | C08 | H13 | 171.1° | 30.0° |
| C05 | C06 | C07 | C24 | 0.9° | 0.5° |
| C06 | C05 | C04 | H10 | 180.0° | 179.4° |
| C06 | C05 | C04 | C25 | 0.8° | 0.6° |
| C06 | C05 | C04 | N03 | 178.2° | 179.5° |
| C07 | C24 | C25 | H6 | 180.0° | 179.7° |
| C07 | C24 | C25 | C04 | 1.6° | 0.2° |
| C24 | C07 | C06 | H11 | 179.1° | 180.0° |
| C24 | C07 | C08 | H12 | 128.4° | 30.0° |
| C24 | C07 | C08 | H13 | 9.4° | 150.0° |
| C07 | C24 | C25 | H19 | 178.4° | 179.7° |
| C05 | C04 | C25 | C24 | 1.3° | 0.1° |
| C05 | C04 | C25 | N03 | 177.5° | 179.9° |
| C05 | C04 | N03 | C02 | 30.1° | 144.9° |
| C04 | C05 | C06 | H11 | 179.4° | 179.7° |
| C05 | C04 | C25 | H19 | 178.7° | 180.0° |
| C05 | C04 | N03 | H20 | 149.9° | 35.2° |
| C24 | C25 | C04 | H19 | 180.0° | 179.9° |
| C24 | C25 | C04 | N03 | 178.8° | 180.0° |
| C25 | C04 | N03 | C02 | 152.5° | 35.0° |
| C04 | C25 | C24 | H6 | 178.4° | 179.9° |
| C25 | C04 | C05 | H10 | 179.2° | 180.0° |
| C25 | C04 | N03 | H20 | 27.5° | 144.9° |
| C04 | N03 | C02 | O26 | 1.5° | 4.6° |
| C04 | N03 | C02 | H20 | 180.0° | 179.9° |
| C04 | N03 | C02 | C01 | 179.2° | 175.4° |
| N03 | C04 | C05 | H10 | 1.9° | 0.1° |
| N03 | C04 | C25 | H19 | 1.2° | 0.1° |
| O26 | C02 | N03 | C01 | 179.3° | 180.0° |
| O26 | C02 | C01 | H7 | 0.0° | 89.9° |
| O26 | C02 | C01 | H8 | 120.0° | 30.0° |
| O26 | C02 | C01 | H9 | 120.0° | 150.0° |
| O26 | C02 | N03 | H20 | 178.5° | 175.3° |
| N03 | C02 | C01 | H7 | 179.3° | 90.1° |
| N03 | C02 | C01 | H8 | 60.7° | 150.0° |
| N03 | C02 | C01 | H9 | 59.3° | 30.0° |
| C02 | C01 | H7 | H8 | 120.0° | 119.9° |
| C02 | C01 | H7 | H9 | 120.0° | 120.1° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | N03 | H20 | 0.8° | 4.7° |
| H1 | C15 | C16 | H18 | 0.2° | 0.4° |
| H2 | C21 | C22 | H4 | 50.6° | 174.1° |
| H2 | C21 | C22 | H5 | 68.8° | 53.5° |
| H3 | C21 | C22 | H4 | 170.6° | 54.1° |
| H3 | C21 | C22 | H5 | 51.3° | 66.5° |
| H6 | C24 | C25 | H19 | 1.6° | 0.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C05 | C06 | H11 | 0.6° | 0.3° |
| H14 | C11 | C12 | H16 | 48.7° | 66.6° |
| H14 | C11 | C12 | H17 | 70.4° | 53.5° |
| H15 | C11 | C12 | H16 | 168.9° | 53.9° |
| H15 | C11 | C12 | H17 | 49.8° | 174.0° |
