D32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O22 | sing | 1.34Å | 1.24Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O21 | C17 | doub | 1.21Å | 1.22Å | |
| C17 | C14 | sing | 1.51Å | 1.50Å | |
| O11 | C14 | sing | 1.43Å | 1.45Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| O11 | C5 | sing | 1.36Å | 1.40Å | |
| C2 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C8 | doub | 1.38Å | 1.46Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C4 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C3 | S7 | sing | 1.76Å | 1.73Å | |
| S7 | C13 | sing | 1.76Å | 1.72Å | |
| C13 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C13 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O1 | C15 | sing | 1.36Å | 1.40Å | |
| C15 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C11 | sing | 1.47Å | 1.46Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C11 | C19 | trip | 1.17Å | 1.29Å | |
| C19 | H19 | sing | 1.05Å | 1.06Å | |
| C18 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| O25 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | O25 | sing | 1.36Å | 1.40Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C28 | doub | 1.38Å | 1.36Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | C31 | sing | 1.51Å | 1.51Å | |
| F35 | C32 | sing | 1.40Å | 1.30Å | |
| F33 | C32 | sing | 1.40Å | 1.30Å | |
| C32 | F34 | sing | 1.40Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O22 | HO22 | 109.5° | 117.0° |
| O22 | C17 | O21 | 116.1° | 120.0° |
| O22 | C17 | C14 | 123.3° | 120.0° |
| O21 | C17 | C14 | 120.2° | 120.0° |
| C17 | C14 | O11 | 108.8° | 109.4° |
| C17 | C14 | H14 | 109.7° | 109.4° |
| C17 | C14 | H14A | 109.9° | 109.5° |
| O11 | C14 | H14 | 109.7° | 109.5° |
| O11 | C14 | H14A | 109.9° | 109.5° |
| C14 | O11 | C5 | 118.8° | 117.0° |
| H14 | C14 | H14A | 108.9° | 109.5° |
| O11 | C5 | C2 | 115.9° | 120.0° |
| O11 | C5 | C10 | 127.2° | 120.0° |
| C2 | C5 | C10 | 116.9° | 120.1° |
| C5 | C2 | C6 | 118.1° | 120.0° |
| C5 | C2 | C1 | 121.5° | 120.0° |
| C5 | C10 | C8 | 123.0° | 120.0° |
| C5 | C10 | H10 | 118.5° | 119.9° |
| C8 | C10 | H10 | 118.5° | 120.0° |
| C10 | C8 | C3 | 117.7° | 120.0° |
| C10 | C8 | H8 | 121.2° | 120.0° |
| C3 | C8 | H8 | 121.2° | 120.0° |
| C8 | C3 | C1 | 117.9° | 119.9° |
| C8 | C3 | S7 | 122.0° | 120.0° |
| C6 | C2 | C1 | 120.2° | 120.0° |
| C2 | C6 | H6 | 109.5° | 109.5° |
| C2 | C6 | H6A | 109.5° | 109.5° |
| C2 | C6 | H6B | 109.4° | 109.4° |
| C2 | C1 | C4 | 115.3° | 120.0° |
| C2 | C1 | C3 | 122.8° | 120.0° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| C4 | C1 | C3 | 121.9° | 120.0° |
| C1 | C4 | H4 | 109.5° | 109.5° |
| C1 | C4 | H4A | 109.5° | 109.5° |
| C1 | C4 | H4B | 109.5° | 109.4° |
| C1 | C3 | S7 | 120.1° | 120.1° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| C3 | S7 | C13 | 105.2° | 103.0° |
| S7 | C13 | C15 | 118.9° | 120.1° |
| S7 | C13 | C16 | 122.0° | 120.1° |
| C15 | C13 | C16 | 119.2° | 119.9° |
| C13 | C15 | O1 | 118.4° | 120.1° |
| C13 | C15 | C18 | 118.3° | 119.8° |
| C13 | C16 | C20 | 123.1° | 119.9° |
| C13 | C16 | H16 | 118.5° | 120.0° |
| C20 | C16 | H16 | 118.4° | 120.0° |
| C16 | C20 | C23 | 118.6° | 120.2° |
| C16 | C20 | H20 | 120.7° | 119.9° |
| C23 | C20 | H20 | 120.7° | 120.0° |
| C20 | C23 | C18 | 117.2° | 120.2° |
| C20 | C23 | C24 | 118.3° | 119.9° |
| O1 | C15 | C18 | 123.2° | 120.1° |
| C15 | O1 | C7 | 110.7° | 116.9° |
| C15 | C18 | C23 | 123.5° | 120.0° |
| C15 | C18 | H18 | 118.2° | 119.9° |
| O1 | C7 | C11 | 107.2° | 109.5° |
| O1 | C7 | H7 | 110.2° | 109.5° |
| O1 | C7 | H7A | 110.7° | 109.5° |
| C11 | C7 | H7 | 110.2° | 109.4° |
| C11 | C7 | H7A | 110.7° | 109.5° |
| C7 | C11 | C19 | 175.5° | 179.9° |
| H7 | C7 | H7A | 107.8° | 109.5° |
| C11 | C19 | H19 | 180.0° | 179.9° |
| C23 | C18 | H18 | 118.2° | 120.0° |
| C18 | C23 | C24 | 124.5° | 119.9° |
| C23 | C24 | O25 | 106.6° | 109.5° |
| C23 | C24 | H24 | 110.5° | 109.4° |
| C23 | C24 | H24A | 111.0° | 109.5° |
| O25 | C24 | H24 | 110.4° | 109.5° |
| O25 | C24 | H24A | 111.1° | 109.5° |
| C24 | O25 | C26 | 125.3° | 117.0° |
| H24 | C24 | H24A | 107.3° | 109.5° |
| O25 | C26 | C27 | 121.8° | 120.0° |
| O25 | C26 | C28 | 118.7° | 120.1° |
| C27 | C26 | C28 | 119.3° | 119.9° |
| C26 | C27 | C29 | 119.9° | 119.9° |
| C26 | C27 | H27 | 120.1° | 120.1° |
| C26 | C28 | C30 | 120.7° | 119.9° |
| C26 | C28 | H28 | 119.6° | 120.1° |
| C30 | C28 | H28 | 119.7° | 120.0° |
| C28 | C30 | C31 | 119.7° | 120.1° |
| C28 | C30 | H30 | 120.2° | 120.0° |
| C31 | C30 | H30 | 120.2° | 120.0° |
| C30 | C31 | C29 | 120.8° | 120.1° |
| C30 | C31 | C32 | 120.5° | 119.9° |
| C29 | C27 | H27 | 120.1° | 120.0° |
| C27 | C29 | C31 | 119.6° | 120.1° |
| C27 | C29 | H29 | 120.2° | 119.9° |
| C31 | C29 | H29 | 120.2° | 120.0° |
| C29 | C31 | C32 | 118.4° | 119.9° |
| C31 | C32 | F35 | 110.4° | 109.5° |
| C31 | C32 | F33 | 110.8° | 109.5° |
| C31 | C32 | F34 | 111.8° | 109.5° |
| F35 | C32 | F33 | 109.2° | 109.5° |
| F35 | C32 | F34 | 101.9° | 109.5° |
| F33 | C32 | F34 | 112.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C17 | O21 | C14 | 172.9° | 180.0° |
| O22 | C17 | C14 | O11 | 178.5° | 180.0° |
| O22 | C17 | C14 | H14 | 61.5° | 60.0° |
| O22 | C17 | C14 | H14A | 58.2° | 60.0° |
| HO22 | O22 | C17 | O21 | 0.0° | 0.0° |
| HO22 | O22 | C17 | C14 | 172.7° | 180.0° |
| O21 | C17 | C14 | O11 | 6.1° | 0.0° |
| O21 | C17 | C14 | H14 | 126.1° | 120.0° |
| O21 | C17 | C14 | H14A | 114.2° | 120.0° |
| C17 | C14 | O11 | H14 | 120.0° | 119.9° |
| C17 | C14 | O11 | H14A | 120.3° | 120.0° |
| C17 | C14 | H14 | H14A | 120.3° | 120.0° |
| C17 | C14 | O11 | C5 | 79.6° | 180.0° |
| O11 | C14 | H14 | H14A | 120.3° | 120.1° |
| C14 | O11 | C5 | C2 | 161.9° | 179.7° |
| C14 | O11 | C5 | C10 | 20.0° | 0.0° |
| H14 | C14 | O11 | C5 | 40.3° | 60.1° |
| H14A | C14 | O11 | C5 | 160.1° | 60.0° |
| O11 | C5 | C2 | C10 | 178.3° | 179.7° |
| O11 | C5 | C10 | C8 | 179.4° | 179.9° |
| O11 | C5 | C10 | H10 | 0.6° | 0.0° |
| O11 | C5 | C2 | C6 | 1.4° | 0.0° |
| O11 | C5 | C2 | C1 | 176.8° | 180.0° |
| C2 | C5 | C10 | C8 | 1.4° | 0.3° |
| C2 | C5 | C10 | H10 | 178.7° | 179.7° |
| C5 | C2 | C6 | C1 | 175.5° | 180.0° |
| C5 | C2 | C6 | H6 | 97.8° | 90.0° |
| C5 | C2 | C6 | H6A | 22.3° | 150.0° |
| C5 | C2 | C6 | H6B | 142.3° | 30.0° |
| C5 | C2 | C1 | C4 | 178.2° | 180.0° |
| C5 | C2 | C1 | C3 | 3.7° | 0.0° |
| C5 | C10 | C8 | H10 | 180.0° | 179.9° |
| C5 | C10 | C8 | C3 | 2.1° | 0.1° |
| C5 | C10 | C8 | H8 | 177.9° | 179.9° |
| C10 | C5 | C2 | C6 | 176.9° | 179.7° |
| C10 | C5 | C2 | C1 | 1.5° | 0.3° |
| C10 | C8 | C3 | H8 | 180.0° | 180.0° |
| C10 | C8 | C3 | C1 | 0.1° | 0.2° |
| C10 | C8 | C3 | S7 | 178.8° | 180.0° |
| H10 | C10 | C8 | C3 | 177.9° | 180.0° |
| H10 | C10 | C8 | H8 | 2.1° | 0.0° |
| C8 | C3 | C1 | C2 | 2.9° | 0.3° |
| C8 | C3 | C1 | C4 | 179.2° | 179.7° |
| C8 | C3 | C1 | S7 | 178.7° | 179.7° |
| C8 | C3 | S7 | C13 | 84.2° | 5.7° |
| H8 | C8 | C3 | C1 | 179.9° | 179.8° |
| H8 | C8 | C3 | S7 | 1.2° | 0.0° |
| C2 | C6 | H6 | H6A | 120.0° | 120.0° |
| C2 | C6 | H6 | H6B | 120.0° | 119.9° |
| C2 | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | C2 | C1 | C4 | 2.9° | 0.0° |
| C6 | C2 | C1 | C3 | 179.1° | 180.0° |
| C1 | C2 | C6 | H6 | 86.7° | 90.0° |
| C1 | C2 | C6 | H6A | 153.2° | 30.0° |
| C1 | C2 | C6 | H6B | 33.2° | 150.1° |
| C2 | C1 | C4 | C3 | 178.0° | 180.0° |
| C2 | C1 | C4 | H4 | 33.7° | 90.0° |
| C2 | C1 | C4 | H4A | 153.7° | 150.0° |
| C2 | C1 | C4 | H4B | 86.3° | 30.0° |
| C2 | C1 | C3 | S7 | 178.4° | 180.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| C1 | C4 | H4 | H4A | 120.0° | 120.1° |
| C1 | C4 | H4 | H4B | 120.0° | 119.9° |
| C1 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C1 | C3 | S7 | 0.5° | 0.0° |
| C3 | C1 | C4 | H4 | 148.3° | 90.0° |
| C3 | C1 | C4 | H4A | 28.3° | 30.0° |
| C3 | C1 | C4 | H4B | 91.7° | 150.0° |
| C1 | C3 | S7 | C13 | 97.2° | 174.6° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| C3 | S7 | C13 | C15 | 166.0° | 76.5° |
| C3 | S7 | C13 | C16 | 13.6° | 103.8° |
| S7 | C13 | C15 | C16 | 179.6° | 179.7° |
| S7 | C13 | C16 | C20 | 179.4° | 180.0° |
| S7 | C13 | C16 | H16 | 0.5° | 0.0° |
| S7 | C13 | C15 | O1 | 1.6° | 0.0° |
| S7 | C13 | C15 | C18 | 179.9° | 180.0° |
| C15 | C13 | C16 | C20 | 0.1° | 0.3° |
| C15 | C13 | C16 | H16 | 179.9° | 179.8° |
| C13 | C15 | O1 | C18 | 178.2° | 180.0° |
| C13 | C15 | O1 | C7 | 179.6° | 180.0° |
| C13 | C15 | C18 | C23 | 0.7° | 0.0° |
| C13 | C15 | C18 | H18 | 179.3° | 180.0° |
| C13 | C16 | C20 | H16 | 180.0° | 179.9° |
| C13 | C16 | C20 | C23 | 2.1° | 0.0° |
| C13 | C16 | C20 | H20 | 177.9° | 180.0° |
| C16 | C13 | C15 | O1 | 178.8° | 179.7° |
| C16 | C13 | C15 | C18 | 0.5° | 0.3° |
| C16 | C20 | C23 | H20 | 180.0° | 180.0° |
| C16 | C20 | C23 | C18 | 3.1° | 0.3° |
| C16 | C20 | C23 | C24 | 178.3° | 180.0° |
| H16 | C16 | C20 | C23 | 177.9° | 180.0° |
| H16 | C16 | C20 | H20 | 2.1° | 0.0° |
| C20 | C23 | C18 | C15 | 2.6° | 0.3° |
| C20 | C23 | C18 | C24 | 178.5° | 179.7° |
| C20 | C23 | C18 | H18 | 177.4° | 179.7° |
| C20 | C23 | C24 | O25 | 38.9° | 90.0° |
| C20 | C23 | C24 | H24 | 158.9° | 150.0° |
| C20 | C23 | C24 | H24A | 82.2° | 30.0° |
| H20 | C20 | C23 | C18 | 176.9° | 179.7° |
| H20 | C20 | C23 | C24 | 1.7° | 0.0° |
| C15 | O1 | C7 | C11 | 89.6° | 180.0° |
| C15 | O1 | C7 | H7 | 30.3° | 60.0° |
| C15 | O1 | C7 | H7A | 149.5° | 60.0° |
| O1 | C15 | C18 | C23 | 177.5° | 180.0° |
| O1 | C15 | C18 | H18 | 2.5° | 0.0° |
| C18 | C15 | O1 | C7 | 1.3° | 0.0° |
| C15 | C18 | C23 | H18 | 180.0° | 180.0° |
| C15 | C18 | C23 | C24 | 178.9° | 180.0° |
| O1 | C7 | C11 | H7 | 120.0° | 120.0° |
| O1 | C7 | C11 | H7A | 120.9° | 120.0° |
| O1 | C7 | H7 | H7A | 120.9° | 120.1° |
| O1 | C7 | C11 | C19 | 112.6° | 29.6° |
| C11 | C7 | H7 | H7A | 120.9° | 119.9° |
| C7 | C11 | C19 | H19 | 143.4° | 105.4° |
| H7 | C7 | C11 | C19 | 127.4° | 149.6° |
| H7A | C7 | C11 | C19 | 8.3° | 90.4° |
| C18 | C23 | C24 | O25 | 139.5° | 89.7° |
| C18 | C23 | C24 | H24 | 19.6° | 30.3° |
| C18 | C23 | C24 | H24A | 99.4° | 150.3° |
| H18 | C18 | C23 | C24 | 1.0° | 0.0° |
| C23 | C24 | O25 | H24 | 120.0° | 119.9° |
| C23 | C24 | O25 | H24A | 121.1° | 120.0° |
| C23 | C24 | H24 | H24A | 121.2° | 120.0° |
| C23 | C24 | O25 | C26 | 95.3° | 180.0° |
| O25 | C24 | H24 | H24A | 121.2° | 120.1° |
| C24 | O25 | C26 | C27 | 37.6° | 0.3° |
| C24 | O25 | C26 | C28 | 138.0° | 180.0° |
| H24 | C24 | O25 | C26 | 24.7° | 60.1° |
| H24A | C24 | O25 | C26 | 143.6° | 60.0° |
| O25 | C26 | C27 | C28 | 175.6° | 179.7° |
| O25 | C26 | C28 | C30 | 177.9° | 180.0° |
| O25 | C26 | C28 | H28 | 2.1° | 0.1° |
| O25 | C26 | C27 | C29 | 177.2° | 180.0° |
| O25 | C26 | C27 | H27 | 2.8° | 0.0° |
| C27 | C26 | C28 | C30 | 2.2° | 0.2° |
| C27 | C26 | C28 | H28 | 177.8° | 179.8° |
| C26 | C27 | C29 | H27 | 180.0° | 180.0° |
| C26 | C27 | C29 | C31 | 1.4° | 0.0° |
| C26 | C27 | C29 | H29 | 178.6° | 180.0° |
| C26 | C28 | C30 | H28 | 180.0° | 179.9° |
| C26 | C28 | C30 | C31 | 0.3° | 0.0° |
| C26 | C28 | C30 | H30 | 179.7° | 180.0° |
| C28 | C26 | C27 | C29 | 1.6° | 0.3° |
| C28 | C26 | C27 | H27 | 178.3° | 179.7° |
| C28 | C30 | C31 | H30 | 180.0° | 180.0° |
| C28 | C30 | C31 | C29 | 3.4° | 0.3° |
| C28 | C30 | C31 | C32 | 177.0° | 180.0° |
| H28 | C28 | C30 | C31 | 179.7° | 179.9° |
| H28 | C28 | C30 | H30 | 0.3° | 0.1° |
| C30 | C31 | C29 | C27 | 4.0° | 0.3° |
| C30 | C31 | C29 | C32 | 173.7° | 179.7° |
| C30 | C31 | C29 | H29 | 176.1° | 179.7° |
| C30 | C31 | C32 | F35 | 163.2° | 29.7° |
| C30 | C31 | C32 | F33 | 75.8° | 149.7° |
| C30 | C31 | C32 | F34 | 50.5° | 90.3° |
| H30 | C30 | C31 | C29 | 176.6° | 179.7° |
| H30 | C30 | C31 | C32 | 3.1° | 0.0° |
| C27 | C29 | C31 | H29 | 180.0° | 180.0° |
| C27 | C29 | C31 | C32 | 177.6° | 180.0° |
| H27 | C27 | C29 | C31 | 178.6° | 180.0° |
| H27 | C27 | C29 | H29 | 1.3° | 0.0° |
| C29 | C31 | C32 | F35 | 10.5° | 150.0° |
| C29 | C31 | C32 | F33 | 110.6° | 30.0° |
| C29 | C31 | C32 | F34 | 123.2° | 89.9° |
| H29 | C29 | C31 | C32 | 2.4° | 0.0° |
| C31 | C32 | F35 | F33 | 122.0° | 120.0° |
| C31 | C32 | F35 | F34 | 118.9° | 120.0° |
| C31 | C32 | F33 | F34 | 125.9° | 120.0° |
| F35 | C32 | F33 | F34 | 112.3° | 120.0° |
