V2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F11 | C9 | sing | 1.40Å | 1.33Å | |
| O8 | C9 | sing | 1.43Å | 1.33Å | |
| O8 | C7 | sing | 1.36Å | 1.39Å | |
| C9 | F10 | sing | 1.40Å | 1.33Å | |
| C9 | F12 | sing | 1.40Å | 1.33Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| CL25 | C24 | sing | 1.74Å | 1.75Å | |
| C4 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C2 | sing | 1.47Å | 1.50Å | |
| C14 | N15 | sing | 1.39Å | 1.42Å | |
| N1 | C2 | sing | 1.35Å | 1.32Å | |
| C24 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| C26 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O3 | doub | 1.22Å | 1.24Å | |
| N15 | C16 | sing | 1.35Å | 1.37Å | |
| C16 | N18 | sing | 1.35Å | 1.37Å | |
| C23 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N18 | sing | 1.40Å | 1.42Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | CL22 | sing | 1.74Å | 1.74Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| N15 | H8 | sing | 0.97Å | 1.00Å | |
| N18 | H9 | sing | 0.97Å | 1.00Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C9 | O8 | 109.4° | 109.5° |
| F11 | C9 | F10 | 109.0° | 109.5° |
| F11 | C9 | F12 | 107.6° | 109.5° |
| C9 | O8 | C7 | 118.8° | 117.0° |
| O8 | C9 | F10 | 109.8° | 109.4° |
| O8 | C9 | F12 | 113.6° | 109.5° |
| O8 | C7 | C6 | 119.3° | 119.8° |
| O8 | C7 | C13 | 119.2° | 119.9° |
| F10 | C9 | F12 | 107.4° | 109.5° |
| C7 | C6 | C5 | 119.6° | 120.3° |
| C6 | C7 | C13 | 120.8° | 120.3° |
| C7 | C6 | H4 | 120.2° | 119.9° |
| C6 | C5 | C4 | 120.9° | 120.0° |
| C6 | C5 | H3 | 119.5° | 119.9° |
| C5 | C6 | H4 | 120.2° | 119.9° |
| C7 | C13 | C14 | 120.3° | 120.0° |
| C7 | C13 | H5 | 119.9° | 120.0° |
| C5 | C4 | C14 | 119.3° | 119.7° |
| C5 | C4 | C2 | 118.4° | 120.1° |
| C4 | C5 | H3 | 119.5° | 120.1° |
| C13 | C14 | C4 | 119.1° | 119.7° |
| C13 | C14 | N15 | 121.2° | 120.1° |
| C14 | C13 | H5 | 119.9° | 120.0° |
| CL25 | C24 | C26 | 118.7° | 120.0° |
| CL25 | C24 | C23 | 119.1° | 119.9° |
| C14 | C4 | C2 | 122.3° | 120.1° |
| C4 | C14 | N15 | 119.7° | 120.1° |
| C4 | C2 | N1 | 117.3° | 120.0° |
| C4 | C2 | O3 | 120.5° | 120.0° |
| C14 | N15 | C16 | 126.9° | 120.0° |
| C14 | N15 | H8 | 116.6° | 120.0° |
| N1 | C2 | O3 | 122.2° | 119.9° |
| C2 | N1 | H1 | 120.0° | 120.0° |
| C2 | N1 | H2 | 120.0° | 120.0° |
| C26 | C24 | C23 | 122.2° | 120.1° |
| C24 | C26 | C19 | 118.9° | 120.0° |
| C24 | C26 | H10 | 120.6° | 120.0° |
| C24 | C23 | C21 | 117.5° | 120.1° |
| C24 | C23 | H7 | 121.3° | 120.0° |
| O17 | C16 | N15 | 123.8° | 120.0° |
| O17 | C16 | N18 | 124.0° | 120.0° |
| C26 | C19 | N18 | 123.3° | 120.1° |
| C26 | C19 | C20 | 120.3° | 119.9° |
| C19 | C26 | H10 | 120.6° | 120.0° |
| N15 | C16 | N18 | 112.2° | 120.0° |
| C16 | N15 | H8 | 116.5° | 120.0° |
| C16 | N18 | C19 | 127.0° | 120.0° |
| C16 | N18 | H9 | 116.5° | 120.0° |
| C23 | C21 | C20 | 122.4° | 120.1° |
| C23 | C21 | CL22 | 119.1° | 120.0° |
| C21 | C23 | H7 | 121.3° | 120.0° |
| N18 | C19 | C20 | 116.4° | 120.1° |
| C19 | N18 | H9 | 116.5° | 120.0° |
| C19 | C20 | C21 | 118.9° | 119.9° |
| C19 | C20 | H6 | 120.5° | 120.0° |
| C20 | C21 | CL22 | 118.5° | 119.9° |
| C21 | C20 | H6 | 120.6° | 120.0° |
| H1 | N1 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C9 | O8 | F10 | 119.5° | 120.0° |
| F11 | C9 | O8 | F12 | 120.2° | 120.0° |
| F11 | C9 | O8 | C7 | 171.8° | 180.0° |
| F11 | C9 | F10 | F12 | 116.3° | 120.0° |
| O8 | C9 | F10 | F12 | 124.0° | 120.0° |
| C9 | O8 | C7 | C6 | 98.7° | 0.0° |
| C9 | O8 | C7 | C13 | 90.7° | 180.0° |
| C7 | O8 | C9 | F10 | 68.7° | 60.0° |
| C7 | O8 | C9 | F12 | 51.6° | 60.0° |
| O8 | C7 | C6 | C13 | 170.4° | 180.0° |
| O8 | C7 | C6 | C5 | 169.3° | 180.0° |
| O8 | C7 | C13 | C14 | 169.1° | 180.0° |
| O8 | C7 | C6 | H4 | 10.7° | 0.0° |
| O8 | C7 | C13 | H5 | 10.9° | 0.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | C13 | C14 | 1.3° | 0.0° |
| C7 | C6 | C5 | H3 | 179.8° | 179.9° |
| C6 | C7 | C13 | H5 | 178.7° | 180.0° |
| C5 | C6 | C7 | C13 | 1.1° | 0.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C14 | 0.4° | 0.0° |
| C6 | C5 | C4 | C2 | 176.7° | 179.8° |
| C7 | C13 | C14 | H5 | 180.0° | 180.0° |
| C7 | C13 | C14 | C4 | 0.6° | 0.0° |
| C7 | C13 | C14 | N15 | 177.6° | 179.7° |
| C13 | C7 | C6 | H4 | 178.9° | 180.0° |
| C5 | C4 | C14 | C13 | 0.2° | 0.0° |
| C5 | C4 | C14 | C2 | 177.0° | 179.8° |
| C5 | C4 | C14 | N15 | 178.5° | 179.7° |
| C5 | C4 | C2 | N1 | 10.2° | 5.0° |
| C5 | C4 | C2 | O3 | 169.0° | 175.3° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C13 | C14 | C4 | N15 | 178.3° | 179.7° |
| C13 | C14 | C4 | C2 | 176.8° | 179.8° |
| C13 | C14 | N15 | C16 | 1.7° | 35.3° |
| C13 | C14 | N15 | H8 | 178.3° | 144.7° |
| CL25 | C24 | C26 | C23 | 180.0° | 179.5° |
| CL25 | C24 | C26 | C19 | 180.0° | 180.0° |
| CL25 | C24 | C23 | C21 | 179.9° | 179.8° |
| CL25 | C24 | C23 | H7 | 0.1° | 0.2° |
| CL25 | C24 | C26 | H10 | 0.0° | 0.5° |
| C14 | C4 | C2 | N1 | 166.9° | 174.7° |
| C14 | C4 | C2 | O3 | 14.0° | 4.9° |
| C4 | C14 | N15 | C16 | 176.5° | 144.4° |
| C14 | C4 | C5 | H3 | 179.6° | 180.0° |
| C4 | C14 | C13 | H5 | 179.4° | 180.0° |
| C4 | C14 | N15 | H8 | 3.5° | 35.6° |
| C2 | C4 | C14 | N15 | 1.5° | 0.0° |
| C4 | C2 | N1 | O3 | 179.2° | 179.7° |
| C4 | C2 | N1 | H1 | 179.2° | 179.7° |
| C4 | C2 | N1 | H2 | 0.9° | 0.3° |
| C2 | C4 | C5 | H3 | 3.3° | 0.3° |
| C14 | N15 | C16 | O17 | 11.0° | 4.6° |
| C14 | N15 | C16 | H8 | 180.0° | 180.0° |
| C14 | N15 | C16 | N18 | 167.3° | 175.4° |
| N15 | C14 | C13 | H5 | 2.4° | 0.3° |
| C2 | N1 | H1 | H2 | 180.0° | 180.0° |
| C24 | C26 | C19 | H10 | 180.0° | 179.5° |
| C26 | C24 | C23 | C21 | 0.0° | 0.3° |
| C24 | C26 | C19 | N18 | 178.9° | 179.8° |
| C24 | C26 | C19 | C20 | 0.4° | 0.6° |
| C26 | C24 | C23 | H7 | 180.0° | 179.7° |
| C23 | C24 | C26 | C19 | 0.1° | 0.5° |
| C24 | C23 | C21 | H7 | 180.0° | 180.0° |
| C24 | C23 | C21 | C20 | 0.1° | 0.0° |
| C24 | C23 | C21 | CL22 | 179.5° | 180.0° |
| C23 | C24 | C26 | H10 | 179.9° | 180.0° |
| O17 | C16 | N15 | N18 | 178.3° | 180.0° |
| O17 | C16 | N18 | C19 | 11.8° | 5.5° |
| O17 | C16 | N15 | H8 | 168.9° | 175.4° |
| O17 | C16 | N18 | H9 | 168.2° | 174.6° |
| C26 | C19 | N18 | C16 | 4.5° | 145.0° |
| C26 | C19 | N18 | C20 | 179.2° | 179.6° |
| C26 | C19 | C20 | C21 | 0.5° | 0.3° |
| C26 | C19 | C20 | H6 | 179.5° | 179.7° |
| C26 | C19 | N18 | H9 | 175.5° | 35.0° |
| O3 | C2 | N1 | H1 | 0.0° | 0.0° |
| O3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N15 | C16 | N18 | C19 | 166.5° | 174.5° |
| N15 | C16 | N18 | H9 | 13.5° | 5.5° |
| C16 | N18 | C19 | H9 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 176.2° | 34.7° |
| N18 | C16 | N15 | H8 | 12.7° | 4.6° |
| C23 | C21 | C20 | C19 | 0.4° | 0.1° |
| C23 | C21 | C20 | CL22 | 179.4° | 179.9° |
| C23 | C21 | C20 | H6 | 179.7° | 180.0° |
| N18 | C19 | C20 | C21 | 178.8° | 180.0° |
| N18 | C19 | C20 | H6 | 1.2° | 0.1° |
| N18 | C19 | C26 | H10 | 1.1° | 0.3° |
| C19 | C20 | C21 | H6 | 180.0° | 179.9° |
| C19 | C20 | C21 | CL22 | 179.8° | 180.0° |
| C20 | C19 | N18 | H9 | 3.7° | 145.3° |
| C20 | C19 | C26 | H10 | 179.6° | 180.0° |
| C20 | C21 | C23 | H7 | 179.9° | 179.9° |
| CL22 | C21 | C20 | H6 | 0.2° | 0.0° |
| CL22 | C21 | C23 | H7 | 0.5° | 0.0° |
| H3 | C5 | C6 | H4 | 0.2° | 0.1° |
