C6V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | doub | 1.22Å | 1.22Å | |
| O23 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | C20 | sing | 1.42Å | 1.48Å | |
| C20 | C1 | doub | 1.35Å | 1.34Å | |
| C1 | C17 | sing | 1.47Å | 1.52Å | |
| C17 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | O12 | sing | 1.36Å | 1.40Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| F29 | C26 | sing | 1.35Å | 1.33Å | |
| C28 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| O12 | C10 | sing | 1.36Å | 1.35Å | |
| C10 | C6 | sing | 1.45Å | 1.51Å | Aromatic |
| C10 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| C7 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.36Å | 1.41Å | Aromatic |
| C13 | C9 | sing | 1.48Å | 1.54Å | |
| C13 | C24 | doub | 1.40Å | 1.43Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | S8 | sing | 1.75Å | 1.76Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C30 | sing | 1.51Å | 1.57Å | |
| C5 | S8 | sing | 1.76Å | 1.75Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | O11 | sing | 1.36Å | 1.40Å | |
| F31 | C30 | sing | 1.40Å | 1.36Å | |
| C30 | C32 | sing | 1.53Å | 1.56Å | |
| C30 | F33 | sing | 1.40Å | 1.36Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å | |
| O23 | H14 | sing | 0.97Å | 0.95Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | O23 | 121.8° | 120.0° |
| O22 | C21 | C20 | 117.4° | 120.0° |
| O23 | C21 | C20 | 120.8° | 120.0° |
| C21 | O23 | H14 | 109.5° | 114.0° |
| C21 | C20 | C1 | 123.4° | 120.0° |
| C21 | C20 | H7 | 118.3° | 120.0° |
| C20 | C1 | C17 | 126.3° | 120.0° |
| C20 | C1 | H1 | 116.9° | 120.0° |
| C1 | C20 | H7 | 118.3° | 120.0° |
| C1 | C17 | C16 | 120.0° | 120.1° |
| C1 | C17 | C18 | 120.2° | 120.1° |
| C17 | C1 | H1 | 116.8° | 120.0° |
| C16 | C17 | C18 | 119.8° | 119.8° |
| C17 | C16 | C15 | 120.1° | 119.9° |
| C17 | C16 | H4 | 119.9° | 120.0° |
| C17 | C18 | C19 | 119.9° | 119.9° |
| C17 | C18 | H5 | 120.0° | 120.0° |
| C16 | C15 | C14 | 119.7° | 120.1° |
| C16 | C15 | H3 | 120.1° | 119.9° |
| C15 | C16 | H4 | 119.9° | 120.1° |
| C18 | C19 | C14 | 120.3° | 120.1° |
| C19 | C18 | H5 | 120.0° | 120.1° |
| C18 | C19 | H6 | 119.9° | 120.0° |
| C15 | C14 | C19 | 120.1° | 120.2° |
| C15 | C14 | O12 | 118.8° | 119.9° |
| C14 | C15 | H3 | 120.1° | 120.0° |
| C19 | C14 | O12 | 121.1° | 119.9° |
| C14 | C19 | H6 | 119.8° | 119.9° |
| C14 | O12 | C10 | 121.3° | 118.0° |
| C28 | C27 | C26 | 118.1° | 120.1° |
| C27 | C28 | C13 | 123.0° | 119.9° |
| C28 | C27 | H9 | 121.0° | 120.0° |
| C27 | C28 | H10 | 118.5° | 120.1° |
| C27 | C26 | F29 | 120.4° | 119.9° |
| C27 | C26 | C25 | 119.8° | 120.3° |
| C26 | C27 | H9 | 120.9° | 119.9° |
| F29 | C26 | C25 | 119.7° | 119.8° |
| C28 | C13 | C9 | 113.7° | 120.1° |
| C28 | C13 | C24 | 118.8° | 119.7° |
| C13 | C28 | H10 | 118.5° | 120.1° |
| C26 | C25 | C24 | 123.7° | 120.1° |
| C26 | C25 | H8 | 118.2° | 120.0° |
| O12 | C10 | C6 | 126.6° | 122.7° |
| O12 | C10 | C9 | 120.4° | 122.7° |
| C6 | C10 | C9 | 113.0° | 114.6° |
| C10 | C6 | C7 | 131.8° | 129.2° |
| C10 | C6 | C5 | 107.9° | 111.9° |
| C10 | C9 | C13 | 120.5° | 124.4° |
| C10 | C9 | S8 | 114.1° | 111.2° |
| C6 | C7 | C2 | 118.1° | 120.6° |
| C7 | C6 | C5 | 120.3° | 118.9° |
| C6 | C7 | H12 | 121.0° | 119.7° |
| C7 | C2 | C3 | 121.6° | 120.5° |
| C7 | C2 | H2 | 119.2° | 119.7° |
| C2 | C7 | H12 | 121.0° | 119.7° |
| C9 | C13 | C24 | 127.3° | 120.2° |
| C13 | C9 | S8 | 125.0° | 124.4° |
| C13 | C24 | C25 | 116.5° | 119.9° |
| C13 | C24 | C30 | 124.7° | 120.0° |
| C25 | C24 | C30 | 118.8° | 120.1° |
| C24 | C25 | H8 | 118.2° | 119.9° |
| C6 | C5 | S8 | 115.4° | 109.9° |
| C6 | C5 | C4 | 122.0° | 119.8° |
| C9 | S8 | C5 | 89.5° | 92.3° |
| C2 | C3 | C4 | 119.8° | 120.1° |
| C2 | C3 | O11 | 121.5° | 120.0° |
| C3 | C2 | H2 | 119.2° | 119.8° |
| C24 | C30 | F31 | 108.4° | 109.5° |
| C24 | C30 | C32 | 118.0° | 109.4° |
| C24 | C30 | F33 | 111.1° | 109.5° |
| S8 | C5 | C4 | 122.6° | 130.3° |
| C5 | C4 | C3 | 118.3° | 120.2° |
| C5 | C4 | H11 | 120.9° | 119.9° |
| C4 | C3 | O11 | 118.7° | 119.9° |
| C3 | C4 | H11 | 120.9° | 119.9° |
| C3 | O11 | H13 | 109.5° | 114.0° |
| F31 | C30 | C32 | 105.1° | 109.5° |
| F31 | C30 | F33 | 109.1° | 109.5° |
| C32 | C30 | F33 | 104.8° | 109.5° |
| C30 | C32 | H15 | 109.5° | 109.4° |
| C30 | C32 | H16 | 109.5° | 109.5° |
| C30 | C32 | H17 | 109.5° | 109.5° |
| H15 | C32 | H16 | 109.4° | 109.4° |
| H15 | C32 | H17 | 109.5° | 109.5° |
| H16 | C32 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | O23 | C20 | 179.0° | 180.0° |
| O22 | C21 | C20 | C1 | 145.0° | 0.0° |
| O22 | C21 | C20 | H7 | 35.0° | 180.0° |
| O22 | C21 | O23 | H14 | 0.0° | 0.0° |
| O23 | C21 | C20 | C1 | 36.0° | 180.0° |
| O23 | C21 | C20 | H7 | 144.0° | 0.0° |
| C21 | C20 | C1 | H7 | 180.0° | 180.0° |
| C21 | C20 | C1 | C17 | 179.5° | 180.0° |
| C21 | C20 | C1 | H1 | 0.5° | 0.2° |
| C20 | C21 | O23 | H14 | 179.0° | 180.0° |
| C20 | C1 | C17 | H1 | 180.0° | 179.8° |
| C20 | C1 | C17 | C16 | 32.2° | 179.8° |
| C20 | C1 | C17 | C18 | 149.7° | 0.2° |
| C1 | C17 | C16 | C18 | 178.1° | 180.0° |
| C1 | C17 | C16 | C15 | 179.8° | 180.0° |
| C1 | C17 | C18 | C19 | 180.0° | 179.8° |
| C1 | C17 | C16 | H4 | 0.2° | 0.1° |
| C1 | C17 | C18 | H5 | 0.0° | 0.0° |
| C17 | C1 | C20 | H7 | 0.5° | 0.0° |
| C17 | C16 | C15 | H4 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.9° | 0.2° |
| C17 | C16 | C15 | C14 | 2.3° | 0.0° |
| C16 | C17 | C1 | H1 | 147.8° | 0.0° |
| C17 | C16 | C15 | H3 | 177.7° | 179.9° |
| C16 | C17 | C18 | H5 | 178.1° | 180.0° |
| C18 | C17 | C16 | C15 | 2.1° | 0.0° |
| C17 | C18 | C19 | H5 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 1.9° | 0.5° |
| C18 | C17 | C1 | H1 | 30.3° | 180.0° |
| C18 | C17 | C16 | H4 | 177.9° | 180.0° |
| C17 | C18 | C19 | H6 | 178.1° | 180.0° |
| C16 | C15 | C14 | H3 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 2.3° | 0.3° |
| C16 | C15 | C14 | O12 | 178.9° | 180.0° |
| C18 | C19 | C14 | C15 | 2.1° | 0.5° |
| C18 | C19 | C14 | H6 | 180.0° | 179.6° |
| C18 | C19 | C14 | O12 | 179.1° | 179.8° |
| C15 | C14 | C19 | O12 | 178.8° | 179.7° |
| C15 | C14 | O12 | C10 | 174.9° | 180.0° |
| C14 | C15 | C16 | H4 | 177.7° | 179.9° |
| C15 | C14 | C19 | H6 | 177.9° | 179.9° |
| C19 | C14 | O12 | C10 | 6.4° | 0.3° |
| C19 | C14 | C15 | H3 | 177.7° | 179.8° |
| C14 | C19 | C18 | H5 | 178.1° | 179.7° |
| C14 | O12 | C10 | C6 | 75.3° | 90.0° |
| C14 | O12 | C10 | C9 | 107.9° | 89.9° |
| O12 | C14 | C15 | H3 | 1.1° | 0.1° |
| O12 | C14 | C19 | H6 | 0.9° | 0.2° |
| C28 | C27 | C26 | H9 | 180.0° | 179.5° |
| C28 | C27 | C26 | F29 | 179.1° | 179.8° |
| C27 | C28 | C13 | H10 | 180.0° | 179.6° |
| C28 | C27 | C26 | C25 | 1.7° | 0.3° |
| C27 | C28 | C13 | C9 | 175.6° | 179.7° |
| C27 | C28 | C13 | C24 | 0.2° | 0.4° |
| C27 | C26 | F29 | C25 | 179.2° | 180.0° |
| C26 | C27 | C28 | C13 | 1.2° | 0.5° |
| C27 | C26 | C25 | C24 | 1.4° | 0.0° |
| C27 | C26 | C25 | H8 | 178.6° | 180.0° |
| C26 | C27 | C28 | H10 | 178.9° | 180.0° |
| F29 | C26 | C25 | C24 | 179.4° | 180.0° |
| F29 | C26 | C25 | H8 | 0.6° | 0.0° |
| F29 | C26 | C27 | H9 | 0.9° | 0.2° |
| C28 | C13 | C9 | C10 | 75.0° | 53.5° |
| C28 | C13 | C9 | C24 | 175.3° | 179.8° |
| C28 | C13 | C24 | C25 | 0.3° | 0.2° |
| C28 | C13 | C9 | S8 | 97.2° | 126.5° |
| C28 | C13 | C24 | C30 | 179.2° | 179.8° |
| C13 | C28 | C27 | H9 | 178.8° | 180.0° |
| C26 | C25 | C24 | C13 | 0.3° | 0.0° |
| C26 | C25 | C24 | H8 | 180.0° | 180.0° |
| C26 | C25 | C24 | C30 | 179.9° | 180.0° |
| C25 | C26 | C27 | H9 | 178.3° | 179.8° |
| O12 | C10 | C6 | C9 | 177.0° | 179.9° |
| O12 | C10 | C6 | C7 | 0.3° | 0.4° |
| O12 | C10 | C9 | C13 | 6.8° | 0.1° |
| O12 | C10 | C6 | C5 | 178.1° | 179.9° |
| O12 | C10 | C9 | S8 | 179.8° | 180.0° |
| C10 | C6 | C7 | C5 | 178.3° | 179.7° |
| C10 | C6 | C7 | C2 | 178.5° | 179.8° |
| C6 | C10 | C9 | C13 | 176.0° | 180.0° |
| C6 | C10 | C9 | S8 | 3.0° | 0.0° |
| C10 | C6 | C5 | S8 | 1.1° | 0.0° |
| C10 | C6 | C5 | C4 | 178.4° | 179.9° |
| C10 | C6 | C7 | H12 | 1.5° | 0.3° |
| C9 | C10 | C6 | C7 | 177.3° | 179.7° |
| C10 | C9 | C13 | S8 | 172.3° | 180.0° |
| C10 | C9 | C13 | C24 | 100.3° | 126.7° |
| C9 | C10 | C6 | C5 | 1.2° | 0.0° |
| C10 | C9 | S8 | C5 | 3.0° | 0.0° |
| C6 | C7 | C2 | H12 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 0.5° | 0.6° |
| C7 | C6 | C5 | S8 | 179.8° | 179.7° |
| C7 | C6 | C5 | C4 | 0.3° | 0.2° |
| C6 | C7 | C2 | H2 | 179.5° | 179.7° |
| C2 | C7 | C6 | C5 | 0.3° | 0.5° |
| C7 | C2 | C3 | H2 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.2° | 0.3° |
| C7 | C2 | C3 | O11 | 179.7° | 179.7° |
| C9 | C13 | C24 | C25 | 175.3° | 180.0° |
| C9 | C13 | C24 | C30 | 4.1° | 0.0° |
| C13 | C9 | S8 | C5 | 175.7° | 180.0° |
| C9 | C13 | C28 | H10 | 4.4° | 0.2° |
| C13 | C24 | C25 | C30 | 179.5° | 180.0° |
| C24 | C13 | C9 | S8 | 87.5° | 53.3° |
| C13 | C24 | C30 | F31 | 75.6° | 71.2° |
| C13 | C24 | C30 | C32 | 165.2° | 168.8° |
| C13 | C24 | C30 | F33 | 44.3° | 48.8° |
| C13 | C24 | C25 | H8 | 179.6° | 180.0° |
| C24 | C13 | C28 | H10 | 179.9° | 180.0° |
| C25 | C24 | C30 | F31 | 103.9° | 108.8° |
| C25 | C24 | C30 | C32 | 15.3° | 11.1° |
| C25 | C24 | C30 | F33 | 136.2° | 131.1° |
| C6 | C5 | S8 | C9 | 2.3° | 0.0° |
| C6 | C5 | S8 | C4 | 179.5° | 179.9° |
| C6 | C5 | C4 | C3 | 0.6° | 0.1° |
| C6 | C5 | C4 | H11 | 179.4° | 180.0° |
| C5 | C6 | C7 | H12 | 179.8° | 180.0° |
| C9 | S8 | C5 | C4 | 177.2° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | O11 | 179.5° | 180.0° |
| C2 | C3 | C4 | H11 | 179.7° | 180.0° |
| C3 | C2 | C7 | H12 | 179.5° | 180.0° |
| C2 | C3 | O11 | H13 | 180.0° | 90.0° |
| C24 | C30 | F31 | C32 | 127.0° | 119.9° |
| C24 | C30 | F31 | F33 | 121.1° | 120.0° |
| C24 | C30 | C32 | F33 | 124.2° | 120.0° |
| C30 | C24 | C25 | H8 | 0.1° | 0.0° |
| C24 | C30 | C32 | H15 | 180.0° | 60.0° |
| C24 | C30 | C32 | H16 | 60.0° | 180.0° |
| C24 | C30 | C32 | H17 | 60.0° | 60.0° |
| S8 | C5 | C4 | C3 | 180.0° | 180.0° |
| S8 | C5 | C4 | H11 | 0.0° | 0.0° |
| C5 | C4 | C3 | H11 | 180.0° | 179.9° |
| C5 | C4 | C3 | O11 | 179.1° | 180.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C4 | C3 | O11 | H13 | 0.6° | 90.0° |
| O11 | C3 | C2 | H2 | 0.3° | 0.0° |
| O11 | C3 | C4 | H11 | 0.9° | 0.0° |
| F31 | C30 | C32 | F33 | 114.9° | 120.0° |
| F31 | C30 | C32 | H15 | 59.1° | 180.0° |
| F31 | C30 | C32 | H16 | 60.9° | 60.1° |
| F31 | C30 | C32 | H17 | 179.1° | 60.0° |
| C30 | C32 | H15 | H16 | 120.0° | 120.0° |
| C30 | C32 | H15 | H17 | 120.0° | 120.0° |
| C30 | C32 | H16 | H17 | 120.0° | 120.0° |
| F33 | C30 | C32 | H15 | 55.9° | 59.9° |
| F33 | C30 | C32 | H16 | 175.8° | 60.0° |
| F33 | C30 | C32 | H17 | 64.2° | 180.0° |
| H1 | C1 | C20 | H7 | 179.5° | 179.7° |
| H2 | C2 | C7 | H12 | 0.5° | 0.3° |
| H3 | C15 | C16 | H4 | 2.3° | 0.0° |
| H5 | C18 | C19 | H6 | 1.9° | 0.2° |
| H9 | C27 | C28 | H10 | 1.2° | 0.5° |
| H15 | C32 | H16 | H17 | 120.0° | 120.0° |
