E2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C5 | sing | 1.36Å | 1.37Å | |
| F2 | C1 | sing | 1.40Å | 1.32Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| F6 | C1 | sing | 1.40Å | 1.32Å | |
| C1 | F1 | sing | 1.40Å | 1.32Å | |
| C28 | C2 | doub | 1.37Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | S | sing | 1.76Å | 1.70Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| S | C4 | sing | 1.76Å | 1.69Å | |
| C4 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | C13 | doub | 1.21Å | 1.43Å | |
| C13 | O3 | sing | 1.34Å | 1.43Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.47Å | 1.48Å | |
| C20 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| F5 | C29 | sing | 1.40Å | 1.32Å | |
| F3 | C29 | sing | 1.40Å | 1.32Å | |
| C29 | F4 | sing | 1.40Å | 1.32Å | |
| C22 | C21 | doub | 1.35Å | 1.33Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.46Å | 1.48Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| O5 | C23 | doub | 1.22Å | 1.22Å | |
| N | C23 | sing | 1.35Å | 1.33Å | |
| C27 | N | sing | 1.47Å | 1.46Å | |
| N | C24 | sing | 1.47Å | 1.45Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C26 | O4 | sing | 1.43Å | 1.43Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| O4 | C25 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O1 | C5 | 120.0° | 117.0° |
| O1 | C6 | C7 | 109.5° | 109.5° |
| O1 | C6 | H6 | 109.5° | 109.5° |
| O1 | C6 | H6A | 109.4° | 109.4° |
| O1 | C5 | C4 | 120.0° | 120.1° |
| O1 | C5 | C14 | 120.0° | 120.1° |
| F2 | C1 | C2 | 109.5° | 109.5° |
| F2 | C1 | F6 | 109.5° | 109.5° |
| F2 | C1 | F1 | 109.5° | 109.5° |
| C2 | C1 | F6 | 109.5° | 109.5° |
| C2 | C1 | F1 | 109.5° | 109.5° |
| C1 | C2 | C28 | 119.9° | 119.9° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| F6 | C1 | F1 | 109.4° | 109.5° |
| C28 | C2 | C3 | 120.1° | 120.1° |
| C2 | C28 | C20 | 120.1° | 119.9° |
| C2 | C28 | C29 | 120.0° | 120.1° |
| C2 | C3 | C18 | 120.0° | 120.2° |
| C2 | C3 | S | 120.0° | 119.9° |
| C18 | C3 | S | 120.0° | 119.9° |
| C3 | C18 | C19 | 119.9° | 120.1° |
| C3 | C18 | H18 | 120.1° | 119.9° |
| C3 | S | C4 | 109.5° | 103.0° |
| C5 | C4 | S | 120.0° | 120.1° |
| C5 | C4 | C17 | 120.1° | 119.8° |
| C4 | C5 | C14 | 120.0° | 119.8° |
| S | C4 | C17 | 119.9° | 120.1° |
| C4 | C17 | C16 | 120.0° | 120.0° |
| C4 | C17 | H17 | 120.0° | 120.0° |
| C5 | C14 | C15 | 120.1° | 120.0° |
| C5 | C14 | H14 | 120.0° | 120.0° |
| C7 | C6 | H6 | 109.5° | 109.5° |
| C7 | C6 | H6A | 109.5° | 109.4° |
| C6 | C7 | C12 | 109.5° | 109.5° |
| C6 | C7 | C8 | 109.4° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.2° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.0° | 119.9° |
| C16 | C15 | C14 | 119.9° | 120.2° |
| C16 | C15 | H15 | 120.1° | 119.9° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C12 | C7 | C8 | 109.5° | 109.5° |
| C12 | C7 | H7 | 109.5° | 109.5° |
| C7 | C12 | C11 | 111.0° | 109.4° |
| C7 | C12 | H12 | 109.0° | 109.5° |
| C7 | C12 | H12A | 108.7° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| C7 | C8 | C9 | 111.0° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C8 | H8A | 108.6° | 109.5° |
| C11 | C12 | H12 | 109.0° | 109.5° |
| C11 | C12 | H12A | 108.6° | 109.5° |
| C12 | C11 | C10 | 111.0° | 109.5° |
| C12 | C11 | H11 | 109.0° | 109.4° |
| C12 | C11 | H11A | 108.6° | 109.5° |
| H12 | C12 | H12A | 110.6° | 109.5° |
| C10 | C11 | H11 | 108.9° | 109.5° |
| C10 | C11 | H11A | 108.6° | 109.5° |
| C11 | C10 | C13 | 111.0° | 109.5° |
| C11 | C10 | C9 | 109.5° | 109.5° |
| C11 | C10 | H10 | 109.0° | 109.5° |
| H11 | C11 | H11A | 110.7° | 109.5° |
| C13 | C10 | C9 | 111.0° | 109.4° |
| C13 | C10 | H10 | 107.4° | 109.4° |
| C10 | C13 | O2 | 120.0° | 120.0° |
| C10 | C13 | O3 | 120.0° | 120.0° |
| C9 | C10 | H10 | 109.0° | 109.5° |
| C10 | C9 | C8 | 111.0° | 109.4° |
| C10 | C9 | H9 | 109.0° | 109.5° |
| C10 | C9 | H9A | 108.6° | 109.5° |
| O2 | C13 | O3 | 119.9° | 120.0° |
| C13 | O3 | HO3 | 109.5° | 117.0° |
| C8 | C9 | H9 | 109.0° | 109.4° |
| C8 | C9 | H9A | 108.7° | 109.5° |
| C9 | C8 | H8 | 109.0° | 109.4° |
| C9 | C8 | H8A | 108.6° | 109.5° |
| H9 | C9 | H9A | 110.6° | 109.5° |
| H8 | C8 | H8A | 110.7° | 109.5° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C20 | C19 | H19 | 120.1° | 120.1° |
| C19 | C20 | C21 | 120.0° | 120.1° |
| C19 | C20 | C28 | 120.0° | 119.8° |
| C21 | C20 | C28 | 120.0° | 120.1° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| C20 | C28 | C29 | 119.9° | 120.0° |
| C28 | C29 | F5 | 109.5° | 109.5° |
| C28 | C29 | F3 | 109.4° | 109.5° |
| C28 | C29 | F4 | 109.4° | 109.5° |
| F5 | C29 | F3 | 109.5° | 109.4° |
| F5 | C29 | F4 | 109.5° | 109.5° |
| F3 | C29 | F4 | 109.5° | 109.5° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | O5 | 120.5° | 120.0° |
| C22 | C23 | N | 116.4° | 120.0° |
| O5 | C23 | N | 123.1° | 120.0° |
| C23 | N | C27 | 122.2° | 121.0° |
| C23 | N | C24 | 122.4° | 121.0° |
| C27 | N | C24 | 115.4° | 118.0° |
| N | C27 | C26 | 105.0° | 108.4° |
| N | C27 | H27 | 111.0° | 109.7° |
| N | C27 | H27A | 112.0° | 109.7° |
| N | C24 | C25 | 105.0° | 108.2° |
| N | C24 | H24 | 111.0° | 109.7° |
| N | C24 | H24A | 111.9° | 109.7° |
| C26 | C27 | H27 | 111.0° | 109.7° |
| C26 | C27 | H27A | 112.0° | 109.7° |
| C27 | C26 | O4 | 109.5° | 109.2° |
| C27 | C26 | H26 | 109.5° | 109.5° |
| C27 | C26 | H26A | 109.4° | 109.5° |
| H27 | C27 | H27A | 106.0° | 109.7° |
| O4 | C26 | H26 | 109.5° | 109.5° |
| O4 | C26 | H26A | 109.5° | 109.5° |
| C26 | O4 | C25 | 111.8° | 114.2° |
| H26 | C26 | H26A | 109.5° | 109.6° |
| O4 | C25 | C24 | 109.4° | 109.2° |
| O4 | C25 | H25 | 109.5° | 109.5° |
| O4 | C25 | H25A | 109.5° | 109.6° |
| C24 | C25 | H25 | 109.5° | 109.6° |
| C24 | C25 | H25A | 109.5° | 109.5° |
| C25 | C24 | H24 | 111.0° | 109.8° |
| C25 | C24 | H24A | 112.0° | 109.8° |
| H25 | C25 | H25A | 109.4° | 109.5° |
| H24 | C24 | H24A | 106.1° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | O1 | C5 | C4 | 171.1° | 180.0° |
| C6 | O1 | C5 | C14 | 9.0° | 0.0° |
| O1 | C6 | C7 | H6 | 120.0° | 120.1° |
| O1 | C6 | C7 | H6A | 120.0° | 119.9° |
| O1 | C6 | H6 | H6A | 120.0° | 119.9° |
| O1 | C6 | C7 | C12 | 169.8° | 175.0° |
| O1 | C6 | C7 | C8 | 49.8° | 65.0° |
| O1 | C6 | C7 | H7 | 70.2° | 55.0° |
| O1 | C5 | C4 | C14 | 180.0° | 180.0° |
| O1 | C5 | C4 | S | 0.0° | 0.2° |
| O1 | C5 | C4 | C17 | 180.0° | 180.0° |
| C5 | O1 | C6 | C7 | 168.2° | 180.0° |
| C5 | O1 | C6 | H6 | 71.8° | 59.9° |
| C5 | O1 | C6 | H6A | 48.2° | 60.0° |
| O1 | C5 | C14 | C15 | 180.0° | 180.0° |
| O1 | C5 | C14 | H14 | 0.0° | 0.0° |
| F2 | C1 | C2 | F6 | 120.0° | 120.0° |
| F2 | C1 | C2 | F1 | 120.0° | 120.0° |
| F2 | C1 | F6 | F1 | 120.0° | 120.0° |
| F2 | C1 | C2 | C28 | 81.0° | 38.5° |
| F2 | C1 | C2 | C3 | 99.0° | 141.8° |
| C2 | C1 | F6 | F1 | 120.0° | 120.0° |
| C1 | C2 | C28 | C3 | 180.0° | 179.8° |
| C1 | C2 | C3 | C18 | 180.0° | 180.0° |
| C1 | C2 | C3 | S | 0.1° | 0.0° |
| C1 | C2 | C28 | C20 | 180.0° | 179.7° |
| C1 | C2 | C28 | C29 | 0.0° | 0.2° |
| F6 | C1 | C2 | C28 | 39.0° | 81.5° |
| F6 | C1 | C2 | C3 | 140.9° | 98.3° |
| F1 | C1 | C2 | C28 | 159.0° | 158.5° |
| F1 | C1 | C2 | C3 | 21.0° | 21.7° |
| C28 | C2 | C3 | C18 | 0.0° | 0.2° |
| C28 | C2 | C3 | S | 179.9° | 179.7° |
| C2 | C28 | C20 | C19 | 0.1° | 0.6° |
| C2 | C28 | C20 | C21 | 180.0° | 179.7° |
| C2 | C28 | C20 | C29 | 180.0° | 179.5° |
| C2 | C28 | C29 | F5 | 161.2° | 89.1° |
| C2 | C28 | C29 | F3 | 41.2° | 30.9° |
| C2 | C28 | C29 | F4 | 78.8° | 150.9° |
| C2 | C3 | C18 | S | 179.9° | 180.0° |
| C2 | C3 | S | C4 | 179.7° | 178.9° |
| C2 | C3 | C18 | C19 | 0.0° | 0.0° |
| C2 | C3 | C18 | H18 | 179.9° | 180.0° |
| C3 | C2 | C28 | C20 | 0.0° | 0.5° |
| C3 | C2 | C28 | C29 | 180.0° | 180.0° |
| C18 | C3 | S | C4 | 0.4° | 1.1° |
| C3 | C18 | C19 | H18 | 180.0° | 180.0° |
| C3 | C18 | C19 | C20 | 0.0° | 0.0° |
| C3 | C18 | C19 | H19 | 180.0° | 180.0° |
| C3 | S | C4 | C5 | 66.2° | 78.6° |
| C3 | S | C4 | C17 | 113.9° | 101.7° |
| S | C3 | C18 | C19 | 180.0° | 180.0° |
| S | C3 | C18 | H18 | 0.0° | 0.0° |
| C5 | C4 | S | C17 | 180.0° | 179.7° |
| C5 | C4 | C17 | C16 | 0.1° | 0.0° |
| C5 | C4 | C17 | H17 | 180.0° | 180.0° |
| C4 | C5 | C14 | C15 | 0.0° | 0.0° |
| C4 | C5 | C14 | H14 | 180.0° | 180.0° |
| S | C4 | C5 | C14 | 180.0° | 179.7° |
| S | C4 | C17 | C16 | 180.0° | 179.8° |
| S | C4 | C17 | H17 | 0.0° | 0.3° |
| C17 | C4 | C5 | C14 | 0.0° | 0.0° |
| C4 | C17 | C16 | H17 | 180.0° | 180.0° |
| C4 | C17 | C16 | C15 | 0.1° | 0.0° |
| C4 | C17 | C16 | H16 | 179.9° | 180.0° |
| C5 | C14 | C15 | C16 | 0.0° | 0.0° |
| C5 | C14 | C15 | H14 | 180.0° | 180.0° |
| C5 | C14 | C15 | H15 | 179.9° | 180.0° |
| C7 | C6 | H6 | H6A | 120.0° | 120.0° |
| C6 | C7 | C12 | C8 | 120.0° | 120.1° |
| C6 | C7 | C12 | H7 | 120.0° | 119.9° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C12 | C11 | 62.9° | 60.0° |
| C6 | C7 | C12 | H12 | 177.1° | 180.0° |
| C6 | C7 | C12 | H12A | 56.5° | 59.9° |
| C6 | C7 | C8 | C9 | 62.9° | 60.0° |
| C6 | C7 | C8 | H8 | 57.1° | 60.0° |
| C6 | C7 | C8 | H8A | 177.8° | 180.0° |
| H6 | C6 | C7 | C12 | 70.2° | 54.9° |
| H6 | C6 | C7 | C8 | 169.8° | 175.0° |
| H6 | C6 | C7 | H7 | 49.8° | 65.0° |
| H6A | C6 | C7 | C12 | 49.8° | 65.1° |
| H6A | C6 | C7 | C8 | 70.2° | 55.0° |
| H6A | C6 | C7 | H7 | 169.8° | 175.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| H17 | C17 | C16 | C15 | 179.9° | 180.0° |
| H17 | C17 | C16 | H16 | 0.0° | 0.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| H16 | C16 | C15 | C14 | 180.0° | 180.0° |
| H16 | C16 | C15 | H15 | 0.1° | 0.0° |
| H15 | C15 | C14 | H14 | 0.1° | 0.0° |
| C12 | C7 | C8 | H7 | 120.0° | 120.0° |
| C7 | C12 | C11 | H12 | 120.0° | 120.0° |
| C7 | C12 | C11 | H12A | 119.4° | 120.0° |
| C7 | C12 | H12 | H12A | 119.4° | 120.0° |
| C7 | C12 | C11 | C10 | 58.0° | 60.0° |
| C7 | C12 | C11 | H11 | 178.0° | 180.0° |
| C7 | C12 | C11 | H11A | 61.3° | 60.0° |
| C12 | C7 | C8 | C9 | 57.1° | 60.1° |
| C12 | C7 | C8 | H8 | 177.1° | 180.0° |
| C12 | C7 | C8 | H8A | 62.2° | 60.0° |
| C8 | C7 | C12 | C11 | 57.1° | 60.0° |
| C8 | C7 | C12 | H12 | 62.9° | 60.0° |
| C8 | C7 | C12 | H12A | 176.5° | 180.0° |
| C7 | C8 | C9 | C10 | 58.0° | 60.1° |
| C7 | C8 | C9 | H8 | 120.0° | 119.9° |
| C7 | C8 | C9 | H8A | 119.4° | 120.1° |
| C7 | C8 | C9 | H9 | 178.0° | 180.0° |
| C7 | C8 | C9 | H9A | 61.4° | 59.9° |
| C7 | C8 | H8 | H8A | 119.4° | 120.0° |
| H7 | C7 | C12 | C11 | 177.1° | 180.0° |
| H7 | C7 | C12 | H12 | 57.1° | 60.0° |
| H7 | C7 | C12 | H12A | 63.5° | 60.0° |
| H7 | C7 | C8 | C9 | 177.1° | 180.0° |
| H7 | C7 | C8 | H8 | 62.9° | 60.0° |
| H7 | C7 | C8 | H8A | 57.8° | 60.0° |
| C11 | C12 | H12 | H12A | 119.3° | 120.0° |
| C12 | C11 | C10 | H11 | 120.0° | 120.0° |
| C12 | C11 | C10 | H11A | 119.3° | 120.0° |
| C12 | C11 | H11 | H11A | 119.4° | 120.0° |
| C12 | C11 | C10 | C13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 57.1° | 60.0° |
| C12 | C11 | C10 | H10 | 62.0° | 60.0° |
| H12 | C12 | C11 | C10 | 62.0° | 60.0° |
| H12 | C12 | C11 | H11 | 58.0° | 60.0° |
| H12 | C12 | C11 | H11A | 178.7° | 180.0° |
| H12A | C12 | C11 | C10 | 177.4° | 180.0° |
| H12A | C12 | C11 | H11 | 62.6° | 60.0° |
| H12A | C12 | C11 | H11A | 58.1° | 60.0° |
| C10 | C11 | H11 | H11A | 119.4° | 120.0° |
| C11 | C10 | C13 | C9 | 122.0° | 120.0° |
| C11 | C10 | C13 | H10 | 119.0° | 120.0° |
| C11 | C10 | C9 | H10 | 119.1° | 120.0° |
| C11 | C10 | C13 | O2 | 143.8° | 0.0° |
| C11 | C10 | C13 | O3 | 39.1° | 180.0° |
| C11 | C10 | C9 | C8 | 57.1° | 60.0° |
| C11 | C10 | C9 | H9 | 177.1° | 179.9° |
| C11 | C10 | C9 | H9A | 62.3° | 60.0° |
| H11 | C11 | C10 | C13 | 60.0° | 60.0° |
| H11 | C11 | C10 | C9 | 177.1° | 180.0° |
| H11 | C11 | C10 | H10 | 58.0° | 60.0° |
| H11A | C11 | C10 | C13 | 60.7° | 60.0° |
| H11A | C11 | C10 | C9 | 62.2° | 60.0° |
| H11A | C11 | C10 | H10 | 178.7° | 180.0° |
| C13 | C10 | C9 | H10 | 118.0° | 119.9° |
| C10 | C13 | O2 | O3 | 177.1° | 180.0° |
| C10 | C13 | O3 | HO3 | 177.1° | 180.0° |
| C13 | C10 | C9 | C8 | 180.0° | 179.9° |
| C13 | C10 | C9 | H9 | 60.0° | 60.0° |
| C13 | C10 | C9 | H9A | 60.6° | 60.0° |
| C9 | C10 | C13 | O2 | 94.2° | 120.0° |
| C9 | C10 | C13 | O3 | 82.9° | 60.0° |
| C10 | C9 | C8 | H9 | 120.0° | 119.9° |
| C10 | C9 | C8 | H9A | 119.4° | 120.0° |
| C10 | C9 | H9 | H9A | 119.4° | 120.0° |
| C10 | C9 | C8 | H8 | 178.0° | 180.0° |
| C10 | C9 | C8 | H8A | 61.4° | 60.0° |
| H10 | C10 | C13 | O2 | 24.8° | 120.1° |
| H10 | C10 | C13 | O3 | 158.1° | 60.0° |
| H10 | C10 | C9 | C8 | 62.0° | 60.0° |
| H10 | C10 | C9 | H9 | 58.0° | 59.9° |
| H10 | C10 | C9 | H9A | 178.6° | 179.9° |
| O2 | C13 | O3 | HO3 | 0.0° | 0.0° |
| C8 | C9 | H9 | H9A | 119.4° | 120.1° |
| C9 | C8 | H8 | H8A | 119.3° | 120.0° |
| H9 | C9 | C8 | H8 | 62.0° | 60.1° |
| H9 | C9 | C8 | H8A | 58.6° | 59.9° |
| H9A | C9 | C8 | H8 | 58.6° | 60.0° |
| H9A | C9 | C8 | H8A | 179.2° | NaN° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C18 | C19 | C20 | C28 | 0.0° | 0.3° |
| H18 | C18 | C19 | C20 | 180.0° | 180.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| C19 | C20 | C21 | C28 | 179.9° | 179.7° |
| C19 | C20 | C28 | C29 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 29.0° | 17.0° |
| C19 | C20 | C21 | H21 | 151.0° | 163.1° |
| H19 | C19 | C20 | C21 | 0.0° | 0.0° |
| H19 | C19 | C20 | C28 | 180.0° | 179.8° |
| C21 | C20 | C28 | C29 | 0.0° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 0.0° | 0.0° |
| C20 | C28 | C29 | F5 | 18.8° | 90.4° |
| C20 | C28 | C29 | F3 | 138.8° | 149.6° |
| C20 | C28 | C29 | F4 | 101.2° | 29.6° |
| C28 | C20 | C21 | C22 | 150.9° | 162.7° |
| C28 | C20 | C21 | H21 | 29.0° | 17.2° |
| C28 | C29 | F5 | F3 | 120.0° | 120.0° |
| C28 | C29 | F5 | F4 | 120.0° | 120.0° |
| C28 | C29 | F3 | F4 | 120.0° | 120.0° |
| F5 | C29 | F3 | F4 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | O5 | 36.2° | 4.9° |
| C21 | C22 | C23 | N | 143.8° | 175.1° |
| H21 | C21 | C22 | C23 | 0.0° | 0.1° |
| H21 | C21 | C22 | H22 | 180.0° | 180.0° |
| C22 | C23 | O5 | N | 180.0° | 180.0° |
| C22 | C23 | N | C27 | 170.8° | 176.8° |
| C22 | C23 | N | C24 | 9.2° | 2.9° |
| H22 | C22 | C23 | O5 | 143.8° | 175.1° |
| H22 | C22 | C23 | N | 36.2° | 5.0° |
| O5 | C23 | N | C27 | 9.2° | 3.2° |
| O5 | C23 | N | C24 | 170.8° | 177.1° |
| C23 | N | C27 | C24 | 180.0° | 179.7° |
| C23 | N | C27 | C26 | 119.0° | 129.5° |
| C23 | N | C27 | H27 | 1.0° | 9.8° |
| C23 | N | C27 | H27A | 119.3° | 110.8° |
| C23 | N | C24 | C25 | 119.0° | 129.5° |
| C23 | N | C24 | H24 | 121.0° | 110.8° |
| C23 | N | C24 | H24A | 2.7° | 9.8° |
| N | C27 | C26 | H27 | 120.0° | 119.7° |
| N | C27 | C26 | H27A | 121.7° | 119.7° |
| N | C27 | H27 | H27A | 121.8° | 120.5° |
| N | C27 | C26 | O4 | 57.8° | 52.3° |
| N | C27 | C26 | H26 | 62.2° | 67.6° |
| N | C27 | C26 | H26A | 177.8° | 172.2° |
| C27 | N | C24 | C25 | 61.0° | 50.8° |
| C27 | N | C24 | H24 | 59.0° | 68.9° |
| C27 | N | C24 | H24A | 177.3° | 170.5° |
| C24 | N | C27 | C26 | 61.0° | 50.8° |
| C24 | N | C27 | H27 | 179.0° | 170.5° |
| C24 | N | C27 | H27A | 60.7° | 68.9° |
| N | C24 | C25 | O4 | 57.7° | 52.5° |
| N | C24 | C25 | H24 | 120.0° | 119.7° |
| N | C24 | C25 | H24A | 121.7° | 119.6° |
| N | C24 | C25 | H25 | 62.3° | 67.4° |
| N | C24 | C25 | H25A | 177.7° | 172.4° |
| N | C24 | H24 | H24A | 121.8° | 120.5° |
| C26 | C27 | H27 | H27A | 121.8° | 120.5° |
| C27 | C26 | O4 | H26 | 120.0° | 119.9° |
| C27 | C26 | O4 | H26A | 120.0° | 119.9° |
| C27 | C26 | H26 | H26A | 120.0° | 120.2° |
| C27 | C26 | O4 | C25 | 62.5° | 62.6° |
| H27 | C27 | C26 | O4 | 177.8° | 172.0° |
| H27 | C27 | C26 | H26 | 57.8° | 52.1° |
| H27 | C27 | C26 | H26A | 62.2° | 68.0° |
| H27A | C27 | C26 | O4 | 63.9° | 67.5° |
| H27A | C27 | C26 | H26 | 176.1° | 172.7° |
| H27A | C27 | C26 | H26A | 56.1° | 52.5° |
| O4 | C26 | H26 | H26A | 120.0° | 120.2° |
| C26 | O4 | C25 | C24 | 62.5° | 62.7° |
| C26 | O4 | C25 | H25 | 57.5° | 57.3° |
| C26 | O4 | C25 | H25A | 177.5° | 177.5° |
| H26 | C26 | O4 | C25 | 57.4° | 57.3° |
| H26A | C26 | O4 | C25 | 177.5° | 177.5° |
| O4 | C25 | C24 | H25 | 120.0° | 119.9° |
| O4 | C25 | C24 | H25A | 120.0° | 119.9° |
| O4 | C25 | H25 | H25A | 120.0° | 120.2° |
| O4 | C25 | C24 | H24 | 62.3° | 67.2° |
| O4 | C25 | C24 | H24A | 179.4° | 172.1° |
| C24 | C25 | H25 | H25A | 120.0° | 120.1° |
| C25 | C24 | H24 | H24A | 121.8° | 120.7° |
| H25 | C25 | C24 | H24 | 177.7° | 172.9° |
| H25 | C25 | C24 | H24A | 59.4° | 52.2° |
| H25A | C25 | C24 | H24 | 57.7° | 52.7° |
| H25A | C25 | C24 | H24A | 60.6° | 67.9° |
