VMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| F29 | C28 | sing | 1.40Å | 1.36Å | |
| F30 | C28 | sing | 1.40Å | 1.35Å | |
| C2 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C25 | sing | 1.51Å | 1.48Å | |
| C28 | F31 | sing | 1.40Å | 1.36Å | |
| F9 | C8 | sing | 1.40Å | 1.36Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.48Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | F10 | sing | 1.40Å | 1.35Å | |
| C8 | F11 | sing | 1.40Å | 1.34Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.45Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C12 | sing | 1.51Å | 1.50Å | |
| C21 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| C19 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | C14 | sing | 1.48Å | 1.45Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.37Å | |
| N13 | C12 | sing | 1.47Å | 1.44Å | |
| O33 | C32 | doub | 1.21Å | 1.22Å | |
| N18 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | O15 | doub | 1.22Å | 1.22Å | |
| C12 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | N34 | sing | 1.35Å | 1.39Å | |
| C36 | N34 | sing | 1.46Å | 1.43Å | |
| N34 | C35 | sing | 1.46Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å | |
| N13 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C7 | 120.6° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| F29 | C28 | F30 | 104.5° | 109.5° |
| F29 | C28 | C25 | 111.7° | 109.5° |
| F29 | C28 | F31 | 106.1° | 109.5° |
| F30 | C28 | C25 | 113.1° | 109.5° |
| F30 | C28 | F31 | 108.2° | 109.4° |
| C7 | C2 | C3 | 119.4° | 120.0° |
| C2 | C7 | C6 | 119.5° | 120.0° |
| C2 | C7 | H20 | 120.2° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | H12 | 119.4° | 120.0° |
| C7 | C6 | C8 | 120.6° | 120.0° |
| C7 | C6 | C5 | 121.0° | 120.0° |
| C6 | C7 | H20 | 120.3° | 120.0° |
| C25 | C28 | F31 | 112.7° | 109.5° |
| C28 | C25 | C24 | 120.1° | 119.9° |
| C28 | C25 | C26 | 119.9° | 119.9° |
| F9 | C8 | C6 | 113.0° | 109.5° |
| F9 | C8 | F10 | 107.6° | 109.5° |
| F9 | C8 | F11 | 106.9° | 109.4° |
| C25 | C24 | C23 | 120.5° | 120.2° |
| C24 | C25 | C26 | 120.0° | 120.2° |
| C25 | C24 | H9 | 119.8° | 119.9° |
| C24 | C23 | C22 | 119.6° | 119.9° |
| C24 | C23 | H8 | 120.2° | 120.1° |
| C23 | C24 | H9 | 119.7° | 119.9° |
| C25 | C26 | C27 | 119.4° | 120.2° |
| C25 | C26 | H10 | 120.3° | 119.9° |
| C3 | C4 | C5 | 119.2° | 120.1° |
| C3 | C4 | C12 | 121.7° | 120.0° |
| C4 | C3 | H12 | 119.4° | 120.0° |
| C23 | C22 | C27 | 119.9° | 119.7° |
| C23 | C22 | C21 | 119.9° | 120.1° |
| C22 | C23 | H8 | 120.2° | 120.1° |
| C8 | C6 | C5 | 118.4° | 120.0° |
| C6 | C8 | F10 | 111.6° | 109.5° |
| C6 | C8 | F11 | 111.4° | 109.5° |
| C6 | C5 | C4 | 119.9° | 119.9° |
| C6 | C5 | H19 | 120.1° | 120.1° |
| F10 | C8 | F11 | 106.0° | 109.4° |
| C26 | C27 | C22 | 120.6° | 119.9° |
| C27 | C26 | H10 | 120.3° | 120.0° |
| C26 | C27 | H11 | 119.7° | 120.1° |
| C27 | C22 | C21 | 120.2° | 120.2° |
| C22 | C27 | H11 | 119.7° | 120.0° |
| C22 | C21 | C20 | 117.9° | 121.0° |
| C22 | C21 | C16 | 124.2° | 120.9° |
| C21 | C20 | C19 | 118.0° | 119.2° |
| C20 | C21 | C16 | 117.9° | 118.1° |
| C21 | C20 | H7 | 121.0° | 120.4° |
| C20 | C19 | N18 | 124.8° | 121.2° |
| C20 | C19 | H6 | 117.6° | 119.4° |
| C19 | C20 | H7 | 121.0° | 120.4° |
| C5 | C4 | C12 | 119.1° | 119.9° |
| C4 | C5 | H19 | 120.0° | 120.0° |
| C4 | C12 | N13 | 100.6° | 109.5° |
| C4 | C12 | C32 | 112.8° | 109.5° |
| C4 | C12 | H4 | 112.1° | 109.5° |
| C21 | C16 | C14 | 118.4° | 120.7° |
| C21 | C16 | C17 | 120.7° | 118.7° |
| C19 | N18 | C17 | 116.0° | 122.2° |
| N18 | C19 | H6 | 117.6° | 119.3° |
| C14 | C16 | C17 | 120.9° | 120.6° |
| C16 | C14 | N13 | 116.3° | 120.1° |
| C16 | C14 | O15 | 117.8° | 120.0° |
| C16 | C17 | N18 | 122.6° | 120.7° |
| C16 | C17 | H5 | 118.7° | 119.7° |
| C14 | N13 | C12 | 119.9° | 120.1° |
| N13 | C14 | O15 | 125.8° | 119.9° |
| C14 | N13 | H21 | 120.1° | 120.0° |
| N13 | C12 | C32 | 105.4° | 109.4° |
| N13 | C12 | H4 | 113.0° | 109.4° |
| C12 | N13 | H21 | 120.0° | 120.0° |
| O33 | C32 | C12 | 121.4° | 120.0° |
| O33 | C32 | N34 | 123.1° | 120.0° |
| N18 | C17 | H5 | 118.7° | 119.7° |
| C12 | C32 | N34 | 115.4° | 120.0° |
| C32 | C12 | H4 | 112.2° | 109.5° |
| C32 | N34 | C36 | 121.4° | 120.0° |
| C32 | N34 | C35 | 117.4° | 120.0° |
| C36 | N34 | C35 | 115.4° | 120.0° |
| N34 | C36 | H16 | 109.5° | 109.5° |
| N34 | C36 | H17 | 109.5° | 109.5° |
| N34 | C36 | H18 | 109.5° | 109.5° |
| N34 | C35 | H13 | 109.5° | 109.4° |
| N34 | C35 | H14 | 109.5° | 109.5° |
| N34 | C35 | H15 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H13 | C35 | H14 | 109.5° | 109.5° |
| H13 | C35 | H15 | 109.5° | 109.5° |
| H14 | C35 | H15 | 109.4° | 109.5° |
| H16 | C36 | H17 | 109.4° | 109.4° |
| H16 | C36 | H18 | 109.4° | 109.4° |
| H17 | C36 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C7 | C3 | 180.0° | 179.8° |
| C1 | C2 | C7 | C6 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H12 | 0.2° | 0.1° |
| C1 | C2 | C7 | H20 | 0.1° | 0.0° |
| F29 | C28 | F30 | C25 | 121.6° | 120.0° |
| F29 | C28 | F30 | F31 | 112.8° | 120.0° |
| F29 | C28 | C25 | F31 | 119.4° | 120.0° |
| F29 | C28 | C25 | C24 | 98.5° | 150.0° |
| F29 | C28 | C25 | C26 | 81.3° | 30.0° |
| F30 | C28 | C25 | F31 | 123.1° | 120.0° |
| F30 | C28 | C25 | C24 | 19.0° | 30.0° |
| F30 | C28 | C25 | C26 | 161.2° | 150.0° |
| C2 | C7 | C6 | H20 | 180.0° | 179.8° |
| C7 | C2 | C3 | C4 | 0.2° | 0.2° |
| C2 | C7 | C6 | C8 | 179.9° | 179.8° |
| C2 | C7 | C6 | C5 | 0.2° | 0.5° |
| C7 | C2 | C1 | H1 | 90.0° | 90.0° |
| C7 | C2 | C1 | H2 | 150.0° | 150.0° |
| C7 | C2 | C1 | H3 | 30.0° | 30.0° |
| C7 | C2 | C3 | H12 | 179.8° | 179.7° |
| C3 | C2 | C7 | C6 | 0.1° | 0.4° |
| C2 | C3 | C4 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C4 | C12 | 178.3° | 180.0° |
| C3 | C2 | C1 | H1 | 90.0° | 89.7° |
| C3 | C2 | C1 | H2 | 30.0° | 30.2° |
| C3 | C2 | C1 | H3 | 150.0° | 150.3° |
| C3 | C2 | C7 | H20 | 179.9° | 179.7° |
| C7 | C6 | C8 | F9 | 27.6° | 150.2° |
| C7 | C6 | C8 | C5 | 179.9° | 179.8° |
| C7 | C6 | C8 | F10 | 93.9° | 89.8° |
| C7 | C6 | C8 | F11 | 147.9° | 30.2° |
| C7 | C6 | C5 | C4 | 0.7° | 0.2° |
| C7 | C6 | C5 | H19 | 179.3° | 179.8° |
| C28 | C25 | C24 | C26 | 179.7° | 179.9° |
| C28 | C25 | C24 | C23 | 179.1° | 180.0° |
| C28 | C25 | C26 | C27 | 179.2° | 179.9° |
| C28 | C25 | C24 | H9 | 0.9° | 0.1° |
| C28 | C25 | C26 | H10 | 0.8° | 0.0° |
| F31 | C28 | C25 | C24 | 142.2° | 90.0° |
| F31 | C28 | C25 | C26 | 38.1° | 90.1° |
| F9 | C8 | C6 | F10 | 121.5° | 120.0° |
| F9 | C8 | C6 | F11 | 120.3° | 120.0° |
| F9 | C8 | C6 | C5 | 152.3° | 30.0° |
| F9 | C8 | F10 | F11 | 114.1° | 119.9° |
| C25 | C24 | C23 | H9 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.3° | 0.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C25 | C24 | C23 | H8 | 179.8° | 179.9° |
| C24 | C25 | C26 | H10 | 179.5° | 180.0° |
| C23 | C24 | C25 | C26 | 0.6° | 0.0° |
| C24 | C23 | C22 | H8 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 0.2° | 0.0° |
| C24 | C23 | C22 | C21 | 177.7° | 179.7° |
| C25 | C26 | C27 | H10 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.0° | 0.0° |
| C26 | C25 | C24 | H9 | 179.4° | 180.0° |
| C25 | C26 | C27 | H11 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | C12 | 177.7° | 180.0° |
| C3 | C4 | C12 | N13 | 64.1° | 132.3° |
| C3 | C4 | C12 | C32 | 47.7° | 107.7° |
| C3 | C4 | C12 | H4 | 175.5° | 12.3° |
| C3 | C4 | C5 | H19 | 179.0° | 179.9° |
| C23 | C22 | C27 | C26 | 0.4° | 0.0° |
| C23 | C22 | C27 | C21 | 177.9° | 179.7° |
| C23 | C22 | C21 | C20 | 124.2° | 121.6° |
| C23 | C22 | C21 | C16 | 54.8° | 58.5° |
| C22 | C23 | C24 | H9 | 179.8° | 180.0° |
| C23 | C22 | C27 | H11 | 179.7° | 179.7° |
| C6 | C8 | F10 | F11 | 121.4° | 120.0° |
| C8 | C6 | C5 | C4 | 179.3° | 180.0° |
| C8 | C6 | C5 | H19 | 0.6° | 0.0° |
| C8 | C6 | C7 | H20 | 0.1° | 0.1° |
| C5 | C6 | C8 | F10 | 86.2° | 90.0° |
| C5 | C6 | C8 | F11 | 32.0° | 150.0° |
| C6 | C5 | C4 | H19 | 180.0° | 180.0° |
| C6 | C5 | C4 | C12 | 178.6° | 180.0° |
| C5 | C6 | C7 | H20 | 179.8° | 179.7° |
| C26 | C27 | C22 | H11 | 180.0° | 179.7° |
| C26 | C27 | C22 | C21 | 177.6° | 179.7° |
| C27 | C22 | C21 | C20 | 53.7° | 58.1° |
| C27 | C22 | C21 | C16 | 127.3° | 121.8° |
| C27 | C22 | C23 | H8 | 179.8° | 179.9° |
| C22 | C27 | C26 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | C16 | 179.1° | 179.9° |
| C22 | C21 | C20 | C19 | 178.8° | 179.9° |
| C22 | C21 | C16 | C14 | 1.8° | 0.0° |
| C22 | C21 | C16 | C17 | 178.4° | 179.7° |
| C22 | C21 | C20 | H7 | 1.2° | 0.1° |
| C21 | C22 | C23 | H8 | 2.3° | 0.4° |
| C21 | C22 | C27 | H11 | 2.4° | 0.0° |
| C21 | C20 | C19 | H7 | 180.0° | 180.0° |
| C21 | C20 | C19 | N18 | 0.5° | 0.2° |
| C20 | C21 | C16 | C14 | 179.2° | 179.9° |
| C20 | C21 | C16 | C17 | 0.6° | 0.2° |
| C21 | C20 | C19 | H6 | 179.6° | 180.0° |
| C19 | C20 | C21 | C16 | 0.3° | 0.0° |
| C20 | C19 | N18 | H6 | 180.0° | 179.8° |
| C20 | C19 | N18 | C17 | 0.9° | 0.2° |
| C5 | C4 | C12 | N13 | 113.5° | 47.7° |
| C5 | C4 | C12 | C32 | 134.7° | 72.4° |
| C5 | C4 | C12 | H4 | 6.9° | 167.6° |
| C5 | C4 | C3 | H12 | 179.3° | 180.0° |
| C4 | C12 | N13 | C14 | 83.6° | 154.9° |
| C4 | C12 | N13 | C32 | 117.4° | 120.1° |
| C4 | C12 | N13 | H4 | 119.8° | 120.0° |
| C4 | C12 | C32 | O33 | 97.2° | 95.0° |
| C4 | C12 | C32 | H4 | 127.8° | 120.0° |
| C4 | C12 | C32 | N34 | 84.4° | 84.9° |
| C12 | C4 | C3 | H12 | 1.7° | 0.1° |
| C12 | C4 | C5 | H19 | 1.4° | 0.0° |
| C4 | C12 | N13 | H21 | 96.4° | 25.0° |
| C21 | C16 | C14 | C17 | 179.8° | 179.7° |
| C21 | C16 | C14 | N13 | 128.9° | 173.4° |
| C21 | C16 | C17 | N18 | 0.1° | 0.2° |
| C21 | C16 | C14 | O15 | 52.2° | 6.5° |
| C21 | C16 | C17 | H5 | 179.9° | 179.8° |
| C16 | C21 | C20 | H7 | 179.7° | 180.0° |
| C19 | N18 | C17 | C16 | 0.6° | 0.0° |
| C19 | N18 | C17 | H5 | 179.4° | 180.0° |
| N18 | C19 | C20 | H7 | 179.5° | 179.8° |
| C16 | C14 | N13 | O15 | 178.8° | 179.9° |
| C16 | C14 | N13 | C12 | 178.5° | 180.0° |
| C14 | C16 | C17 | N18 | 179.7° | 180.0° |
| C14 | C16 | C17 | H5 | 0.3° | 0.1° |
| C16 | C14 | N13 | H21 | 1.5° | 0.1° |
| C17 | C16 | C14 | N13 | 51.3° | 6.9° |
| C16 | C17 | N18 | H5 | 180.0° | 180.0° |
| C17 | C16 | C14 | O15 | 127.6° | 173.2° |
| C14 | N13 | C12 | H21 | 180.0° | 179.9° |
| C14 | N13 | C12 | C32 | 159.0° | 85.0° |
| C14 | N13 | C12 | H4 | 36.1° | 35.0° |
| N13 | C12 | C32 | O33 | 11.6° | 25.0° |
| C12 | N13 | C14 | O15 | 2.8° | 0.1° |
| N13 | C12 | C32 | H4 | 123.4° | 119.9° |
| N13 | C12 | C32 | N34 | 166.7° | 155.1° |
| O33 | C32 | C12 | N34 | 178.3° | 179.9° |
| O33 | C32 | N34 | C36 | 153.5° | 5.1° |
| O33 | C32 | N34 | C35 | 1.4° | 175.0° |
| O33 | C32 | C12 | H4 | 135.0° | 145.0° |
| C17 | N18 | C19 | H6 | 179.1° | 180.0° |
| O15 | C14 | N13 | H21 | 177.3° | 180.0° |
| C12 | C32 | N34 | C36 | 28.2° | 175.0° |
| C12 | C32 | N34 | C35 | 179.7° | 4.9° |
| C32 | C12 | N13 | H21 | 21.1° | 95.1° |
| C32 | N34 | C36 | C35 | 152.7° | 179.9° |
| N34 | C32 | C12 | H4 | 43.3° | 35.1° |
| C32 | N34 | C35 | H13 | 180.0° | 92.8° |
| C32 | N34 | C35 | H14 | 60.0° | 147.2° |
| C32 | N34 | C35 | H15 | 60.0° | 27.2° |
| C32 | N34 | C36 | H16 | 180.0° | 60.0° |
| C32 | N34 | C36 | H17 | 60.0° | 179.9° |
| C32 | N34 | C36 | H18 | 60.0° | 60.0° |
| C36 | N34 | C35 | H13 | 26.2° | 87.3° |
| C36 | N34 | C35 | H14 | 93.8° | 32.7° |
| C36 | N34 | C35 | H15 | 146.2° | 152.7° |
| N34 | C36 | H16 | H17 | 120.0° | 120.0° |
| N34 | C36 | H16 | H18 | 120.0° | 120.0° |
| N34 | C36 | H17 | H18 | 120.0° | 120.1° |
| N34 | C35 | H13 | H14 | 120.0° | 120.0° |
| N34 | C35 | H13 | H15 | 120.0° | 120.0° |
| N34 | C35 | H14 | H15 | 120.0° | 120.0° |
| C35 | N34 | C36 | H16 | 27.3° | 120.0° |
| C35 | N34 | C36 | H17 | 147.3° | 0.0° |
| C35 | N34 | C36 | H18 | 92.6° | 120.1° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H4 | C12 | N13 | H21 | 143.9° | 145.0° |
| H6 | C19 | C20 | H7 | 0.5° | 0.1° |
| H8 | C23 | C24 | H9 | 0.2° | 0.1° |
| H10 | C26 | C27 | H11 | 0.0° | 0.4° |
| H13 | C35 | H14 | H15 | 120.0° | 120.0° |
| H16 | C36 | H17 | H18 | 119.9° | 119.9° |
