X1D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| F1 | C25 | sing | 1.40Å | 1.34Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.76Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| F5 | C26 | sing | 1.40Å | 1.34Å | |
| C19 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | S1 | sing | 1.66Å | 1.69Å | |
| N1 | C20 | sing | 1.40Å | 1.38Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| F3 | C25 | sing | 1.40Å | 1.34Å | |
| C25 | F2 | sing | 1.40Å | 1.34Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C24 | sing | 1.53Å | 1.55Å | |
| C26 | F6 | sing | 1.40Å | 1.34Å | |
| C26 | F4 | sing | 1.40Å | 1.34Å | |
| C24 | O4 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O3 | sing | 1.36Å | 1.39Å | |
| O3 | C12 | sing | 1.36Å | 1.39Å | |
| C17 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C3 | C2 | C1 | 119.2° | 120.0° |
| C3 | C2 | H1 | 120.4° | 120.0° |
| C2 | C3 | H2 | 119.8° | 119.9° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C5 | C4 | H3 | 120.0° | 120.0° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C2 | C1 | C6 | 120.7° | 120.0° |
| C2 | C1 | S1 | 120.0° | 120.0° |
| C1 | C2 | H1 | 120.4° | 120.0° |
| F1 | C25 | F3 | 107.1° | 109.5° |
| F1 | C25 | F2 | 107.2° | 109.4° |
| F1 | C25 | C24 | 111.5° | 109.5° |
| C5 | C6 | C1 | 119.2° | 120.0° |
| C6 | C5 | H4 | 119.8° | 120.0° |
| C5 | C6 | H5 | 120.4° | 120.0° |
| C6 | C1 | S1 | 119.2° | 120.0° |
| C1 | C6 | H5 | 120.4° | 120.0° |
| C1 | S1 | O1 | 107.9° | 106.4° |
| C1 | S1 | N1 | 106.8° | 107.2° |
| C1 | S1 | O2 | 107.4° | 106.4° |
| N1 | C7 | C8 | 110.6° | 109.5° |
| C7 | N1 | S1 | 120.5° | 120.0° |
| C7 | N1 | C20 | 118.3° | 120.0° |
| N1 | C7 | H6 | 109.2° | 109.5° |
| N1 | C7 | H7 | 109.2° | 109.4° |
| C7 | C8 | C19 | 121.4° | 120.0° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C8 | C7 | H6 | 109.2° | 109.5° |
| C8 | C7 | H7 | 109.2° | 109.5° |
| O1 | S1 | N1 | 107.1° | 106.4° |
| O1 | S1 | O2 | 119.0° | 123.2° |
| C27 | C28 | C20 | 120.3° | 119.9° |
| C28 | C27 | C23 | 121.1° | 120.1° |
| C28 | C27 | H19 | 119.5° | 120.0° |
| C27 | C28 | H20 | 119.8° | 120.1° |
| C28 | C20 | N1 | 118.7° | 120.1° |
| C28 | C20 | C21 | 119.5° | 119.9° |
| C20 | C28 | H20 | 119.8° | 120.0° |
| C27 | C23 | C24 | 120.2° | 120.0° |
| C27 | C23 | C22 | 118.2° | 120.1° |
| C23 | C27 | H19 | 119.5° | 119.9° |
| F5 | C26 | C24 | 112.0° | 109.4° |
| F5 | C26 | F6 | 106.6° | 109.5° |
| F5 | C26 | F4 | 107.2° | 109.5° |
| C8 | C19 | C18 | 121.2° | 120.0° |
| C19 | C8 | C9 | 118.1° | 120.1° |
| C8 | C19 | H16 | 119.4° | 119.9° |
| C19 | C18 | C11 | 119.0° | 120.0° |
| C19 | C18 | H15 | 120.5° | 120.0° |
| C18 | C19 | H16 | 119.4° | 120.0° |
| S1 | N1 | C20 | 121.2° | 120.0° |
| N1 | S1 | O2 | 108.0° | 106.4° |
| N1 | C20 | C21 | 121.8° | 120.1° |
| F3 | C25 | F2 | 107.3° | 109.5° |
| F3 | C25 | C24 | 111.9° | 109.5° |
| F2 | C25 | C24 | 111.6° | 109.5° |
| C25 | C24 | C23 | 110.1° | 109.5° |
| C25 | C24 | C26 | 109.5° | 109.5° |
| C25 | C24 | O4 | 107.7° | 109.5° |
| C20 | C21 | C22 | 120.1° | 119.9° |
| C20 | C21 | H17 | 120.0° | 120.1° |
| C8 | C9 | C10 | 121.3° | 120.1° |
| C8 | C9 | H8 | 119.3° | 120.0° |
| C18 | C11 | C10 | 121.1° | 119.9° |
| C18 | C11 | O3 | 122.0° | 120.1° |
| C11 | C18 | H15 | 120.5° | 120.0° |
| C24 | C23 | C22 | 121.6° | 119.9° |
| C23 | C24 | C26 | 109.9° | 109.5° |
| C23 | C24 | O4 | 111.1° | 109.4° |
| C23 | C22 | C21 | 120.8° | 120.1° |
| C23 | C22 | H18 | 119.6° | 119.9° |
| C24 | C26 | F6 | 111.8° | 109.5° |
| C24 | C26 | F4 | 111.9° | 109.4° |
| C26 | C24 | O4 | 108.6° | 109.5° |
| F6 | C26 | F4 | 107.1° | 109.5° |
| C24 | O4 | H21 | 109.5° | 114.0° |
| C22 | C21 | H17 | 119.9° | 120.1° |
| C21 | C22 | H18 | 119.6° | 120.0° |
| C9 | C10 | C11 | 119.1° | 119.9° |
| C10 | C9 | H8 | 119.4° | 120.0° |
| C9 | C10 | H9 | 120.4° | 120.1° |
| C10 | C11 | O3 | 116.9° | 120.0° |
| C11 | C10 | H9 | 120.4° | 120.0° |
| C11 | O3 | C12 | 121.2° | 118.0° |
| O3 | C12 | C17 | 120.8° | 120.1° |
| O3 | C12 | C13 | 117.7° | 120.0° |
| C12 | C17 | C16 | 118.8° | 119.9° |
| C17 | C12 | C13 | 121.5° | 119.9° |
| C12 | C17 | H14 | 120.6° | 120.0° |
| C17 | C16 | C15 | 120.6° | 120.1° |
| C17 | C16 | H13 | 119.7° | 119.9° |
| C16 | C17 | H14 | 120.6° | 120.1° |
| C12 | C13 | C14 | 118.9° | 119.9° |
| C12 | C13 | H10 | 120.5° | 120.1° |
| C16 | C15 | C14 | 119.8° | 120.1° |
| C16 | C15 | H12 | 120.1° | 119.9° |
| C15 | C16 | H13 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.5° | 120.1° |
| C14 | C13 | H10 | 120.6° | 120.0° |
| C13 | C14 | H11 | 119.8° | 120.0° |
| C15 | C14 | H11 | 119.7° | 120.0° |
| C14 | C15 | H12 | 120.1° | 120.0° |
| H6 | C7 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.1° |
| C3 | C2 | C1 | S1 | 179.7° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | S1 | 179.2° | 179.7° |
| C2 | C1 | S1 | O1 | 75.0° | 151.7° |
| C2 | C1 | S1 | N1 | 39.9° | 94.8° |
| C2 | C1 | S1 | O2 | 155.5° | 18.7° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C6 | H5 | 179.6° | 179.7° |
| F1 | C25 | F3 | F2 | 114.8° | 119.9° |
| F1 | C25 | F3 | C24 | 122.4° | 120.0° |
| F1 | C25 | F2 | C24 | 122.3° | 120.0° |
| F1 | C25 | C24 | C23 | 65.7° | 66.9° |
| F1 | C25 | C24 | C26 | 55.2° | 53.1° |
| F1 | C25 | C24 | O4 | 173.1° | 173.1° |
| C5 | C6 | C1 | H5 | 180.0° | 179.8° |
| C5 | C6 | C1 | S1 | 179.6° | 179.7° |
| C6 | C5 | C4 | H3 | 179.9° | 179.9° |
| C6 | C1 | S1 | O1 | 105.8° | 28.6° |
| C6 | C1 | S1 | N1 | 139.3° | 84.9° |
| C6 | C1 | S1 | O2 | 23.7° | 161.6° |
| C6 | C1 | C2 | H1 | 179.5° | 179.9° |
| C1 | C6 | C5 | H4 | 179.9° | 180.0° |
| C1 | S1 | N1 | C7 | 129.6° | 103.3° |
| C1 | S1 | O1 | N1 | 114.6° | 114.1° |
| C1 | S1 | O1 | O2 | 122.6° | 123.0° |
| C1 | S1 | N1 | O2 | 115.2° | 113.5° |
| C1 | S1 | N1 | C20 | 52.3° | 76.4° |
| S1 | C1 | C2 | H1 | 0.3° | 0.3° |
| S1 | C1 | C6 | H5 | 0.4° | 0.0° |
| N1 | C7 | C8 | H6 | 120.2° | 120.0° |
| N1 | C7 | C8 | H7 | 120.2° | 120.0° |
| C7 | N1 | S1 | O1 | 14.3° | 10.2° |
| C7 | N1 | C20 | C28 | 37.5° | 49.7° |
| N1 | C7 | C8 | C19 | 129.4° | 84.3° |
| C7 | N1 | S1 | C20 | 178.0° | 179.7° |
| C7 | N1 | S1 | O2 | 115.1° | 143.1° |
| C7 | N1 | C20 | C21 | 141.0° | 130.0° |
| N1 | C7 | C8 | C9 | 48.1° | 95.9° |
| N1 | C7 | H6 | H7 | 119.5° | 120.0° |
| C7 | C8 | C19 | C9 | 177.5° | 179.8° |
| C7 | C8 | C19 | C18 | 179.2° | 179.8° |
| C8 | C7 | N1 | S1 | 124.7° | 118.1° |
| C8 | C7 | N1 | C20 | 53.4° | 62.2° |
| C7 | C8 | C9 | C10 | 179.4° | 180.0° |
| C8 | C7 | H6 | H7 | 119.5° | 120.0° |
| C7 | C8 | C9 | H8 | 0.5° | 0.0° |
| C7 | C8 | C19 | H16 | 0.8° | 0.0° |
| O1 | S1 | N1 | O2 | 129.4° | 132.9° |
| O1 | S1 | N1 | C20 | 167.7° | 170.1° |
| C27 | C28 | C20 | H20 | 180.0° | 179.5° |
| C28 | C27 | C23 | H19 | 180.0° | 179.8° |
| C27 | C28 | C20 | N1 | 179.0° | 179.8° |
| C27 | C28 | C20 | C21 | 0.5° | 0.5° |
| C28 | C27 | C23 | C24 | 179.6° | 179.7° |
| C28 | C27 | C23 | C22 | 0.7° | 0.2° |
| C20 | C28 | C27 | C23 | 0.6° | 0.5° |
| C28 | C20 | N1 | S1 | 144.4° | 130.0° |
| C28 | C20 | N1 | C21 | 178.5° | 179.7° |
| C28 | C20 | C21 | C22 | 0.4° | 0.3° |
| C28 | C20 | C21 | H17 | 179.6° | 179.7° |
| C20 | C28 | C27 | H19 | 179.4° | 179.7° |
| C27 | C23 | C24 | C25 | 75.0° | 122.7° |
| C27 | C23 | C24 | C22 | 178.9° | 180.0° |
| C27 | C23 | C24 | C26 | 45.7° | 117.2° |
| C27 | C23 | C24 | O4 | 165.8° | 2.8° |
| C27 | C23 | C22 | C21 | 0.7° | 0.0° |
| C27 | C23 | C22 | H18 | 179.3° | 180.0° |
| C23 | C27 | C28 | H20 | 179.4° | 180.0° |
| F5 | C26 | C24 | C25 | 56.7° | 60.0° |
| F5 | C26 | C24 | C23 | 64.3° | 60.1° |
| F5 | C26 | C24 | F6 | 119.5° | 120.0° |
| F5 | C26 | C24 | F4 | 120.4° | 119.9° |
| F5 | C26 | F6 | F4 | 114.5° | 120.0° |
| F5 | C26 | C24 | O4 | 174.0° | 180.0° |
| C8 | C19 | C18 | H16 | 180.0° | 179.8° |
| C8 | C19 | C18 | C11 | 1.9° | 0.5° |
| C19 | C8 | C9 | C10 | 1.9° | 0.2° |
| C19 | C8 | C7 | H6 | 9.2° | 155.6° |
| C19 | C8 | C7 | H7 | 110.5° | 35.6° |
| C19 | C8 | C9 | H8 | 178.1° | 179.8° |
| C8 | C19 | C18 | H15 | 178.1° | 179.7° |
| C18 | C19 | C8 | C9 | 1.7° | 0.4° |
| C19 | C18 | C11 | H15 | 180.0° | 179.8° |
| C19 | C18 | C11 | C10 | 2.2° | 0.2° |
| C19 | C18 | C11 | O3 | 178.8° | 179.8° |
| S1 | N1 | C20 | C21 | 37.1° | 50.3° |
| S1 | N1 | C7 | H6 | 115.1° | 1.9° |
| S1 | N1 | C7 | H7 | 4.5° | 121.9° |
| C20 | N1 | S1 | O2 | 62.9° | 37.2° |
| N1 | C20 | C21 | C22 | 178.9° | 179.9° |
| C20 | N1 | C7 | H6 | 66.8° | 177.8° |
| C20 | N1 | C7 | H7 | 173.5° | 57.8° |
| N1 | C20 | C21 | H17 | 1.1° | 0.0° |
| N1 | C20 | C28 | H20 | 1.0° | 0.3° |
| F3 | C25 | F2 | C24 | 123.0° | 120.1° |
| F3 | C25 | C24 | C23 | 54.2° | 53.1° |
| F3 | C25 | C24 | C26 | 175.1° | 173.1° |
| F3 | C25 | C24 | O4 | 67.0° | 66.8° |
| F2 | C25 | C24 | C23 | 174.5° | 173.1° |
| F2 | C25 | C24 | C26 | 64.6° | 66.8° |
| F2 | C25 | C24 | O4 | 53.3° | 53.2° |
| C25 | C24 | C23 | C26 | 120.7° | 120.1° |
| C25 | C24 | C23 | O4 | 119.1° | 120.0° |
| C25 | C24 | C23 | C22 | 103.9° | 57.3° |
| C25 | C24 | C26 | O4 | 117.3° | 120.0° |
| C25 | C24 | C26 | F6 | 62.8° | 180.0° |
| C25 | C24 | C26 | F4 | 177.1° | 60.0° |
| C25 | C24 | O4 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | H17 | 180.0° | 179.9° |
| C20 | C21 | C22 | H18 | 179.4° | 180.0° |
| C21 | C20 | C28 | H20 | 179.6° | 180.0° |
| C8 | C9 | C10 | H8 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 2.3° | 0.1° |
| C9 | C8 | C7 | H6 | 168.2° | 24.2° |
| C9 | C8 | C7 | H7 | 72.1° | 144.2° |
| C8 | C9 | C10 | H9 | 177.7° | 180.0° |
| C9 | C8 | C19 | H16 | 178.3° | 179.8° |
| C18 | C11 | C10 | C9 | 2.4° | 0.0° |
| C18 | C11 | C10 | O3 | 176.7° | 180.0° |
| C18 | C11 | O3 | C12 | 57.3° | 173.6° |
| C18 | C11 | C10 | H9 | 177.6° | 180.0° |
| C11 | C18 | C19 | H16 | 178.1° | 179.7° |
| C23 | C24 | C26 | O4 | 121.7° | 119.9° |
| C23 | C24 | C26 | F6 | 176.2° | 60.0° |
| C23 | C24 | C26 | F4 | 56.1° | 180.0° |
| C24 | C23 | C22 | C21 | 179.6° | 180.0° |
| C24 | C23 | C22 | H18 | 0.4° | 0.0° |
| C24 | C23 | C27 | H19 | 0.4° | 0.1° |
| C23 | C24 | O4 | H21 | 59.4° | 60.0° |
| C22 | C23 | C24 | C26 | 135.4° | 62.8° |
| C22 | C23 | C24 | O4 | 15.3° | 177.2° |
| C23 | C22 | C21 | H18 | 180.0° | 180.0° |
| C23 | C22 | C21 | H17 | 179.4° | 179.9° |
| C22 | C23 | C27 | H19 | 179.3° | 179.9° |
| C24 | C26 | F6 | F4 | 122.9° | 120.0° |
| C26 | C24 | O4 | H21 | 61.5° | 59.9° |
| F6 | C26 | C24 | O4 | 54.6° | 60.0° |
| F4 | C26 | C24 | O4 | 65.6° | 60.1° |
| C9 | C10 | C11 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | O3 | 179.1° | 180.0° |
| C10 | C11 | O3 | C12 | 126.0° | 6.4° |
| C11 | C10 | C9 | H8 | 177.7° | 180.0° |
| C10 | C11 | C18 | H15 | 177.8° | 180.0° |
| C11 | O3 | C12 | C17 | 41.2° | 103.4° |
| C11 | O3 | C12 | C13 | 141.6° | 76.9° |
| O3 | C11 | C10 | H9 | 0.9° | 0.0° |
| O3 | C11 | C18 | H15 | 1.2° | 0.0° |
| O3 | C12 | C17 | C13 | 177.0° | 179.7° |
| O3 | C12 | C17 | C16 | 179.0° | 179.8° |
| O3 | C12 | C13 | C14 | 179.4° | 179.8° |
| O3 | C12 | C13 | H10 | 0.6° | 0.3° |
| O3 | C12 | C17 | H14 | 1.0° | 0.2° |
| C12 | C17 | C16 | H14 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.8° | 0.1° |
| C17 | C12 | C13 | C14 | 2.2° | 0.0° |
| C17 | C12 | C13 | H10 | 177.8° | 180.0° |
| C12 | C17 | C16 | H13 | 179.2° | 180.0° |
| C16 | C17 | C12 | C13 | 2.0° | 0.1° |
| C17 | C16 | C15 | H13 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.4° | 0.0° |
| C12 | C13 | C14 | H11 | 178.7° | 180.0° |
| C13 | C12 | C17 | H14 | 178.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | H11 | 179.8° | 180.0° |
| C15 | C16 | C17 | H14 | 179.2° | 180.0° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H12 | 179.7° | 180.0° |
| C15 | C14 | C13 | H10 | 178.6° | 179.9° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H2 | C3 | C4 | H3 | 0.0° | 0.1° |
| H3 | C4 | C5 | H4 | 0.1° | 0.0° |
| H4 | C5 | C6 | H5 | 0.1° | 0.3° |
| H8 | C9 | C10 | H9 | 2.3° | 0.1° |
| H10 | C13 | C14 | H11 | 1.3° | 0.0° |
| H11 | C14 | C15 | H12 | 0.2° | 0.0° |
| H12 | C15 | C16 | H13 | 0.0° | 0.1° |
| H13 | C16 | C17 | H14 | 0.8° | 0.0° |
| H15 | C18 | C19 | H16 | 1.9° | 0.0° |
| H17 | C21 | C22 | H18 | 0.6° | 0.1° |
| H19 | C27 | C28 | H20 | 0.6° | 0.2° |
