FNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F16 | C14 | sing | 1.40Å | 1.37Å | |
| CL19 | C18 | sing | 1.74Å | 1.76Å | |
| C14 | F15 | sing | 1.40Å | 1.35Å | |
| C14 | F17 | sing | 1.40Å | 1.35Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C18 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C01 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C06 | O07 | sing | 1.43Å | 1.41Å | |
| N04 | C05 | sing | 1.34Å | 1.32Å | Aromatic |
| N04 | N03 | doub | 1.29Å | 1.35Å | Aromatic |
| C05 | C08 | doub | 1.35Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N03 | N02 | sing | 1.29Å | 1.36Å | Aromatic |
| C08 | N02 | sing | 1.36Å | 1.31Å | Aromatic |
| N02 | C01 | sing | 1.40Å | 1.43Å | |
| C01 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | CL12 | sing | 1.74Å | 1.77Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| O07 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F16 | C14 | F15 | 108.0° | 109.5° |
| F16 | C14 | F17 | 106.9° | 109.5° |
| F16 | C14 | C13 | 111.0° | 109.5° |
| CL19 | C18 | C13 | 119.3° | 120.1° |
| CL19 | C18 | C01 | 119.4° | 120.0° |
| F15 | C14 | F17 | 107.8° | 109.5° |
| F15 | C14 | C13 | 110.8° | 109.4° |
| F17 | C14 | C13 | 112.2° | 109.5° |
| C14 | C13 | C18 | 119.8° | 119.9° |
| C14 | C13 | C11 | 122.0° | 120.0° |
| C13 | C18 | C01 | 121.2° | 119.9° |
| C18 | C13 | C11 | 118.2° | 120.0° |
| C18 | C01 | N02 | 123.1° | 120.1° |
| C18 | C01 | C09 | 119.9° | 119.9° |
| C05 | C06 | O07 | 106.7° | 109.5° |
| C06 | C05 | N04 | 123.9° | 126.7° |
| C06 | C05 | C08 | 128.9° | 126.7° |
| C05 | C06 | H1 | 110.2° | 109.5° |
| C05 | C06 | H2 | 110.1° | 109.5° |
| O07 | C06 | H1 | 110.2° | 109.4° |
| O07 | C06 | H2 | 110.2° | 109.4° |
| C06 | O07 | H6 | 109.5° | 114.0° |
| C05 | N04 | N03 | 109.5° | 109.1° |
| N04 | C05 | C08 | 107.2° | 106.6° |
| N04 | N03 | N02 | 106.3° | 110.3° |
| C05 | C08 | N02 | 107.2° | 106.0° |
| C05 | C08 | H3 | 126.4° | 127.0° |
| C13 | C11 | CL12 | 122.2° | 119.9° |
| C13 | C11 | C10 | 120.6° | 120.1° |
| N03 | N02 | C08 | 109.7° | 108.1° |
| N03 | N02 | C01 | 120.6° | 126.0° |
| C08 | N02 | C01 | 129.7° | 125.9° |
| N02 | C08 | H3 | 126.4° | 127.0° |
| N02 | C01 | C09 | 117.0° | 120.1° |
| C01 | C09 | C10 | 119.7° | 120.0° |
| C01 | C09 | H4 | 120.2° | 120.0° |
| CL12 | C11 | C10 | 117.3° | 119.9° |
| C11 | C10 | C09 | 120.3° | 120.0° |
| C11 | C10 | H5 | 119.9° | 120.0° |
| C10 | C09 | H4 | 120.1° | 120.0° |
| C09 | C10 | H5 | 119.8° | 120.0° |
| H1 | C06 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F16 | C14 | F15 | F17 | 115.2° | 120.0° |
| F16 | C14 | F15 | C13 | 121.7° | 120.0° |
| F16 | C14 | F17 | C13 | 121.9° | 120.1° |
| F16 | C14 | C13 | C18 | 52.3° | 30.0° |
| F16 | C14 | C13 | C11 | 128.5° | 150.0° |
| CL19 | C18 | C13 | C14 | 0.1° | 0.1° |
| CL19 | C18 | C13 | C01 | 179.8° | 180.0° |
| CL19 | C18 | C13 | C11 | 179.1° | 180.0° |
| CL19 | C18 | C01 | N02 | 0.3° | 0.2° |
| CL19 | C18 | C01 | C09 | 179.5° | 180.0° |
| F15 | C14 | F17 | C13 | 122.2° | 119.9° |
| F15 | C14 | C13 | C18 | 172.3° | 150.0° |
| F15 | C14 | C13 | C11 | 8.5° | 30.0° |
| F17 | C14 | C13 | C18 | 67.2° | 90.0° |
| F17 | C14 | C13 | C11 | 112.0° | 90.0° |
| C14 | C13 | C18 | C11 | 179.2° | 180.0° |
| C14 | C13 | C18 | C01 | 179.7° | 180.0° |
| C14 | C13 | C11 | CL12 | 0.2° | 0.0° |
| C14 | C13 | C11 | C10 | 179.9° | 180.0° |
| C13 | C18 | C01 | N02 | 179.4° | 179.7° |
| C13 | C18 | C01 | C09 | 0.8° | 0.0° |
| C18 | C13 | C11 | CL12 | 179.0° | 180.0° |
| C18 | C13 | C11 | C10 | 0.8° | 0.0° |
| C01 | C18 | C13 | C11 | 1.1° | 0.0° |
| C18 | C01 | N02 | N03 | 136.6° | 0.3° |
| C18 | C01 | N02 | C08 | 44.0° | 179.7° |
| C18 | C01 | N02 | C09 | 179.8° | 179.7° |
| C18 | C01 | C09 | C10 | 0.1° | 0.0° |
| C18 | C01 | C09 | H4 | 179.9° | 180.0° |
| C05 | C06 | O07 | H1 | 119.6° | 120.1° |
| C05 | C06 | O07 | H2 | 119.5° | 120.0° |
| C06 | C05 | N04 | C08 | 179.6° | 179.8° |
| C06 | C05 | N04 | N03 | 179.5° | 179.8° |
| C06 | C05 | C08 | N02 | 179.9° | 180.0° |
| C05 | C06 | H1 | H2 | 121.3° | 120.0° |
| C06 | C05 | C08 | H3 | 0.1° | 0.0° |
| C05 | C06 | O07 | H6 | 180.0° | 180.0° |
| O07 | C06 | C05 | N04 | 19.8° | 179.7° |
| O07 | C06 | C05 | C08 | 159.7° | 0.1° |
| O07 | C06 | H1 | H2 | 121.3° | 119.9° |
| C05 | N04 | N03 | N02 | 0.9° | 0.4° |
| N04 | C05 | C08 | N02 | 0.5° | 0.2° |
| N04 | C05 | C06 | H1 | 99.8° | 60.3° |
| N04 | C05 | C06 | H2 | 139.3° | 59.8° |
| N04 | C05 | C08 | H3 | 179.5° | 179.8° |
| N03 | N04 | C05 | C08 | 0.9° | 0.4° |
| N04 | N03 | N02 | C08 | 0.6° | 0.2° |
| N04 | N03 | N02 | C01 | 178.9° | 179.8° |
| C05 | C08 | N02 | N03 | 0.1° | 0.0° |
| C05 | C08 | N02 | H3 | 180.0° | 180.0° |
| C05 | C08 | N02 | C01 | 179.4° | 180.0° |
| C08 | C05 | C06 | H1 | 80.7° | 119.9° |
| C08 | C05 | C06 | H2 | 40.2° | 120.0° |
| C13 | C11 | CL12 | C10 | 179.8° | 180.0° |
| C13 | C11 | C10 | C09 | 0.1° | 0.0° |
| C13 | C11 | C10 | H5 | 179.9° | 179.9° |
| N03 | N02 | C08 | C01 | 179.5° | 180.0° |
| N03 | N02 | C01 | C09 | 43.6° | 180.0° |
| N03 | N02 | C08 | H3 | 179.9° | 179.9° |
| C08 | N02 | C01 | C09 | 135.8° | 0.0° |
| N02 | C01 | C09 | C10 | 179.9° | 179.7° |
| C01 | N02 | C08 | H3 | 0.6° | 0.0° |
| N02 | C01 | C09 | H4 | 0.1° | 0.3° |
| C01 | C09 | C10 | C11 | 0.2° | 0.0° |
| C01 | C09 | C10 | H4 | 180.0° | 180.0° |
| C01 | C09 | C10 | H5 | 179.8° | 179.9° |
| CL12 | C11 | C10 | C09 | 179.7° | 180.0° |
| CL12 | C11 | C10 | H5 | 0.3° | 0.0° |
| C11 | C10 | C09 | H5 | 180.0° | 179.9° |
| C11 | C10 | C09 | H4 | 179.8° | 180.0° |
| H1 | C06 | O07 | H6 | 60.4° | 59.9° |
| H2 | C06 | O07 | H6 | 60.5° | 60.0° |
| H4 | C09 | C10 | H5 | 0.2° | 0.0° |
