V1X
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 | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | F12 | sing | 1.40Å | 1.32Å | |
| C9 | F10 | sing | 1.40Å | 1.33Å | |
| C7 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| CL22 | C21 | sing | 1.74Å | 1.74Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| C4 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C2 | sing | 1.47Å | 1.50Å | |
| C14 | N15 | sing | 1.39Å | 1.42Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O3 | doub | 1.22Å | 1.24Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| N15 | C16 | sing | 1.35Å | 1.37Å | |
| C28 | O29 | sing | 1.43Å | 1.42Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C16 | N18 | sing | 1.35Å | 1.37Å | |
| C19 | N18 | sing | 1.40Å | 1.43Å | |
| C19 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | CL25 | sing | 1.74Å | 1.74Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| 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 | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| O29 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C9 | O8 | 110.3° | 109.5° |
| F11 | C9 | F12 | 107.5° | 109.5° |
| F11 | C9 | F10 | 107.0° | 109.5° |
| C9 | O8 | C7 | 120.4° | 117.0° |
| O8 | C9 | F12 | 108.8° | 109.4° |
| O8 | C9 | F10 | 114.2° | 109.4° |
| O8 | C7 | C6 | 122.1° | 119.8° |
| O8 | C7 | C13 | 115.8° | 119.9° |
| C7 | C6 | C5 | 119.6° | 120.2° |
| C6 | C7 | C13 | 120.8° | 120.3° |
| C7 | C6 | H4 | 120.2° | 119.9° |
| C6 | C5 | C4 | 120.9° | 120.0° |
| C6 | C5 | H3 | 119.6° | 120.0° |
| C5 | C6 | H4 | 120.2° | 119.9° |
| F12 | C9 | F10 | 108.8° | 109.5° |
| C7 | C13 | C14 | 120.2° | 120.0° |
| C7 | C13 | H5 | 119.9° | 119.9° |
| C5 | C4 | C14 | 119.3° | 119.7° |
| C5 | C4 | C2 | 118.9° | 120.1° |
| C4 | C5 | H3 | 119.5° | 120.0° |
| C13 | C14 | C4 | 119.2° | 119.7° |
| C13 | C14 | N15 | 120.5° | 120.1° |
| C14 | C13 | H5 | 119.9° | 120.1° |
| CL22 | C21 | C20 | 118.8° | 120.0° |
| CL22 | C21 | C23 | 119.2° | 119.9° |
| N1 | C2 | C4 | 117.6° | 120.0° |
| N1 | C2 | O3 | 122.5° | 120.0° |
| C2 | N1 | H1 | 120.0° | 120.0° |
| C2 | N1 | H2 | 120.0° | 120.0° |
| C14 | C4 | C2 | 121.8° | 120.1° |
| C4 | C14 | N15 | 120.2° | 120.2° |
| C4 | C2 | O3 | 119.9° | 120.0° |
| C14 | N15 | C16 | 125.3° | 120.0° |
| C14 | N15 | H9 | 117.4° | 120.0° |
| C20 | C21 | C23 | 122.0° | 120.1° |
| C21 | C20 | C19 | 119.3° | 120.0° |
| C21 | C20 | H6 | 120.4° | 120.0° |
| C21 | C23 | C24 | 118.2° | 120.1° |
| C21 | C23 | H11 | 120.9° | 120.0° |
| C20 | C19 | N18 | 123.7° | 120.1° |
| C20 | C19 | C26 | 120.4° | 119.8° |
| C19 | C20 | H6 | 120.3° | 120.0° |
| C23 | C24 | C26 | 122.2° | 120.1° |
| C23 | C24 | CL25 | 119.2° | 120.0° |
| C24 | C23 | H11 | 120.9° | 119.9° |
| O17 | C16 | N15 | 123.5° | 120.0° |
| O17 | C16 | N18 | 123.4° | 120.0° |
| N15 | C16 | N18 | 113.0° | 120.0° |
| C16 | N15 | H9 | 117.3° | 120.0° |
| O29 | C28 | C27 | 107.8° | 109.5° |
| O29 | C28 | H7 | 109.9° | 109.5° |
| O29 | C28 | H8 | 109.9° | 109.4° |
| C28 | O29 | H14 | 109.5° | 114.0° |
| C28 | C27 | C26 | 112.2° | 109.5° |
| C27 | C28 | H7 | 109.9° | 109.5° |
| C27 | C28 | H8 | 109.9° | 109.5° |
| C28 | C27 | H12 | 108.8° | 109.5° |
| C28 | C27 | H13 | 108.8° | 109.5° |
| C16 | N18 | C19 | 127.2° | 120.0° |
| C16 | N18 | H10 | 116.4° | 120.0° |
| N18 | C19 | C26 | 115.9° | 120.1° |
| C19 | N18 | H10 | 116.4° | 120.0° |
| C19 | C26 | C24 | 118.0° | 120.0° |
| C19 | C26 | C27 | 121.4° | 120.0° |
| C26 | C24 | CL25 | 118.6° | 120.0° |
| C24 | C26 | C27 | 120.4° | 120.0° |
| C26 | C27 | H12 | 108.8° | 109.5° |
| C26 | C27 | H13 | 108.8° | 109.5° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C9 | O8 | F12 | 117.7° | 120.0° |
| F11 | C9 | O8 | F10 | 120.5° | 120.0° |
| F11 | C9 | O8 | C7 | 178.9° | 60.0° |
| F11 | C9 | F12 | F10 | 115.6° | 120.0° |
| C9 | O8 | C7 | C6 | 93.3° | 0.1° |
| O8 | C9 | F12 | F10 | 125.0° | 119.9° |
| C9 | O8 | C7 | C13 | 99.1° | 180.0° |
| O8 | C7 | C6 | C13 | 166.9° | 179.9° |
| O8 | C7 | C6 | C5 | 165.4° | 180.0° |
| C7 | O8 | C9 | F12 | 61.2° | 60.0° |
| C7 | O8 | C9 | F10 | 60.6° | 180.0° |
| O8 | C7 | C13 | C14 | 166.1° | 180.0° |
| O8 | C7 | C6 | H4 | 14.6° | 0.1° |
| O8 | C7 | C13 | H5 | 13.9° | 0.0° |
| C7 | C6 | C5 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.7° | 0.1° |
| C6 | C7 | C13 | C14 | 1.7° | 0.1° |
| C7 | C6 | C5 | H3 | 179.3° | 180.0° |
| C6 | C7 | C13 | H5 | 178.4° | 179.9° |
| C5 | C6 | C7 | C13 | 1.5° | 0.1° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | C14 | 0.0° | 0.0° |
| C6 | C5 | C4 | C2 | 179.6° | 179.7° |
| C7 | C13 | C14 | H5 | 180.0° | 180.0° |
| C7 | C13 | C14 | C4 | 1.0° | 0.0° |
| C7 | C13 | C14 | N15 | 175.2° | 179.8° |
| C13 | C7 | C6 | H4 | 178.5° | 180.0° |
| C5 | C4 | C14 | C13 | 0.2° | 0.0° |
| C5 | C4 | C2 | N1 | 24.4° | 5.1° |
| C5 | C4 | C14 | C2 | 179.6° | 179.8° |
| C5 | C4 | C14 | N15 | 176.0° | 179.8° |
| C5 | C4 | C2 | O3 | 155.2° | 174.8° |
| C4 | C5 | C6 | H4 | 179.3° | 180.0° |
| C13 | C14 | C4 | N15 | 176.2° | 179.8° |
| C13 | C14 | C4 | C2 | 179.8° | 179.8° |
| C13 | C14 | N15 | C16 | 4.2° | 34.9° |
| C13 | C14 | N15 | H9 | 175.8° | 145.1° |
| CL22 | C21 | C20 | C23 | 179.3° | 180.0° |
| CL22 | C21 | C20 | C19 | 179.1° | 180.0° |
| CL22 | C21 | C23 | C24 | 179.4° | 179.9° |
| CL22 | C21 | C20 | H6 | 0.8° | 0.3° |
| CL22 | C21 | C23 | H11 | 0.6° | 0.0° |
| N1 | C2 | C4 | C14 | 155.2° | 175.1° |
| N1 | C2 | C4 | O3 | 179.6° | 180.0° |
| C2 | N1 | H1 | H2 | 180.0° | 179.7° |
| C14 | C4 | C2 | O3 | 25.3° | 4.9° |
| C4 | C14 | N15 | C16 | 171.9° | 145.3° |
| C14 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C14 | C13 | H5 | 179.0° | 180.0° |
| C4 | C14 | N15 | H9 | 8.0° | 34.7° |
| C2 | C4 | C14 | N15 | 3.5° | 0.0° |
| C4 | C2 | N1 | H1 | 179.5° | 0.1° |
| C4 | C2 | N1 | H2 | 0.4° | 179.7° |
| C2 | C4 | C5 | H3 | 0.4° | 0.2° |
| C14 | N15 | C16 | O17 | 18.9° | 5.3° |
| C14 | N15 | C16 | H9 | 180.0° | 179.9° |
| C14 | N15 | C16 | N18 | 161.2° | 174.6° |
| N15 | C14 | C13 | H5 | 4.8° | 0.2° |
| C21 | C20 | C19 | H6 | 180.0° | 179.7° |
| C20 | C21 | C23 | C24 | 0.1° | 0.0° |
| C21 | C20 | C19 | N18 | 178.8° | 179.7° |
| C21 | C20 | C19 | C26 | 0.0° | 0.3° |
| C20 | C21 | C23 | H11 | 179.9° | 180.0° |
| C23 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C23 | C24 | H11 | 180.0° | 180.0° |
| C21 | C23 | C24 | C26 | 0.5° | 0.2° |
| C21 | C23 | C24 | CL25 | 178.6° | 179.7° |
| C23 | C21 | C20 | H6 | 179.9° | 179.7° |
| C20 | C19 | N18 | C16 | 5.7° | 34.8° |
| C20 | C19 | N18 | C26 | 178.9° | 180.0° |
| C20 | C19 | C26 | C24 | 0.4° | 0.5° |
| C20 | C19 | C26 | C27 | 173.4° | 179.4° |
| C20 | C19 | N18 | H10 | 174.3° | 145.2° |
| O3 | C2 | N1 | H1 | 0.0° | 180.0° |
| O3 | C2 | N1 | H2 | 180.0° | 0.3° |
| C23 | C24 | C26 | C19 | 0.6° | 0.5° |
| C23 | C24 | C26 | CL25 | 179.1° | 179.5° |
| C23 | C24 | C26 | C27 | 173.2° | 179.4° |
| O17 | C16 | N15 | N18 | 179.9° | 179.9° |
| O17 | C16 | N18 | C19 | 11.6° | 4.6° |
| O17 | C16 | N15 | H9 | 161.1° | 174.6° |
| O17 | C16 | N18 | H10 | 168.4° | 175.5° |
| N15 | C16 | N18 | C19 | 168.5° | 175.3° |
| N15 | C16 | N18 | H10 | 11.5° | 4.6° |
| O29 | C28 | C27 | H7 | 119.7° | 120.0° |
| O29 | C28 | C27 | H8 | 119.7° | 119.9° |
| O29 | C28 | C27 | C26 | 177.2° | 180.0° |
| O29 | C28 | H7 | H8 | 120.8° | 119.9° |
| O29 | C28 | C27 | H12 | 62.4° | 60.0° |
| O29 | C28 | C27 | H13 | 56.7° | 60.0° |
| C28 | C27 | C26 | C19 | 82.2° | 90.0° |
| C28 | C27 | C26 | C24 | 104.2° | 90.0° |
| C28 | C27 | C26 | H12 | 120.4° | 120.0° |
| C28 | C27 | C26 | H13 | 120.4° | 120.0° |
| C27 | C28 | H7 | H8 | 120.8° | 120.0° |
| C28 | C27 | H12 | H13 | 118.8° | 120.0° |
| C27 | C28 | O29 | H14 | 180.0° | 180.0° |
| C16 | N18 | C19 | H10 | 180.0° | 179.9° |
| C16 | N18 | C19 | C26 | 175.4° | 145.2° |
| N18 | C16 | N15 | H9 | 18.8° | 5.4° |
| N18 | C19 | C26 | C24 | 178.6° | 179.4° |
| N18 | C19 | C26 | C27 | 7.7° | 0.6° |
| N18 | C19 | C20 | H6 | 1.2° | 0.0° |
| C19 | C26 | C24 | C27 | 173.8° | 179.9° |
| C19 | C26 | C24 | CL25 | 178.5° | 180.0° |
| C26 | C19 | C20 | H6 | 180.0° | 180.0° |
| C26 | C19 | N18 | H10 | 4.6° | 34.7° |
| C19 | C26 | C27 | H12 | 157.3° | 29.9° |
| C19 | C26 | C27 | H13 | 38.2° | 149.9° |
| C26 | C24 | C23 | H11 | 179.5° | 179.8° |
| C24 | C26 | C27 | H12 | 16.3° | 150.0° |
| C24 | C26 | C27 | H13 | 135.4° | 30.0° |
| CL25 | C24 | C26 | C27 | 7.7° | 0.0° |
| CL25 | C24 | C23 | H11 | 1.4° | 0.3° |
| C26 | C27 | C28 | H7 | 57.4° | 60.0° |
| C26 | C27 | C28 | H8 | 63.1° | 60.0° |
| C26 | C27 | H12 | H13 | 118.8° | 120.0° |
| H3 | C5 | C6 | H4 | 0.7° | 0.1° |
| H7 | C28 | C27 | H12 | 177.8° | 180.0° |
| H7 | C28 | C27 | H13 | 63.0° | 60.0° |
| H7 | C28 | O29 | H14 | 60.3° | 60.0° |
| H8 | C28 | C27 | H12 | 57.3° | 59.9° |
| H8 | C28 | C27 | H13 | 176.5° | 179.9° |
| H8 | C28 | O29 | H14 | 60.3° | 60.0° |
