6OX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C3 | sing | 1.74Å | 1.74Å | |
| C21 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| F2 | C27 | sing | 1.35Å | 1.32Å | |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C18 | sing | 1.53Å | 1.50Å | |
| C29 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.51Å | 1.59Å | |
| C4 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C25 | S1 | sing | 1.81Å | 1.73Å | |
| C2 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C13 | sing | 1.51Å | 1.51Å | |
| C5 | C28 | sing | 1.53Å | 1.56Å | |
| N1 | C13 | doub | 1.30Å | 1.31Å | Aromatic |
| N1 | C16 | sing | 1.34Å | 1.30Å | Aromatic |
| C13 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | CL2 | sing | 1.74Å | 1.70Å | |
| C16 | C18 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.35Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | O3 | sing | 1.43Å | 1.39Å | |
| N2 | C17 | sing | 1.37Å | 1.34Å | Aromatic |
| N2 | C14 | sing | 1.40Å | 1.37Å | |
| O1 | S1 | doub | 1.42Å | 1.49Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.48Å | 1.39Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| S1 | C22 | sing | 1.76Å | 1.78Å | |
| S1 | O2 | doub | 1.42Å | 1.51Å | |
| C10 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C9 | F1 | sing | 1.35Å | 1.32Å | |
| C24 | O4 | sing | 1.43Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C3 | C21 | 127.7° | 120.0° |
| CL1 | C3 | C4 | 109.7° | 120.0° |
| C3 | C21 | C1 | 117.8° | 120.0° |
| C21 | C3 | C4 | 122.6° | 120.0° |
| C3 | C21 | H28 | 121.1° | 120.0° |
| C21 | C1 | C2 | 121.1° | 120.0° |
| C21 | C1 | H1 | 119.5° | 120.0° |
| C1 | C21 | H28 | 121.1° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | C6 | 118.1° | 120.0° |
| F2 | C27 | C26 | 114.9° | 120.0° |
| F2 | C27 | C14 | 121.3° | 120.0° |
| C1 | C2 | C6 | 117.5° | 120.0° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| C1 | C2 | H2 | 121.2° | 120.0° |
| C20 | C18 | C16 | 104.7° | 109.4° |
| C20 | C18 | C19 | 114.2° | 109.5° |
| C20 | C18 | O3 | 112.7° | 109.5° |
| C18 | C20 | H18 | 109.5° | 109.5° |
| C18 | C20 | H19 | 109.5° | 109.4° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C29 | C5 | C4 | 107.4° | 109.5° |
| C29 | C5 | C13 | 104.2° | 109.5° |
| C29 | C5 | C28 | 112.3° | 109.5° |
| C5 | C29 | H25 | 109.5° | 109.5° |
| C5 | C29 | H26 | 109.5° | 109.4° |
| C5 | C29 | H27 | 109.5° | 109.5° |
| C5 | C4 | C6 | 122.3° | 120.0° |
| C4 | C5 | C13 | 116.9° | 109.5° |
| C4 | C5 | C28 | 112.2° | 109.4° |
| C4 | C6 | C2 | 122.8° | 120.0° |
| C4 | C6 | CL2 | 110.6° | 120.0° |
| C26 | C27 | C14 | 123.7° | 120.0° |
| C27 | C26 | C12 | 117.8° | 119.9° |
| C27 | C26 | H13 | 121.1° | 120.0° |
| C27 | C14 | N2 | 127.0° | 119.9° |
| C27 | C14 | C15 | 116.3° | 120.1° |
| C26 | C12 | C7 | 122.8° | 120.1° |
| C26 | C12 | C11 | 118.7° | 119.9° |
| C12 | C26 | H13 | 121.1° | 120.1° |
| C25 | S1 | O1 | 108.2° | 110.5° |
| C25 | S1 | C22 | 110.1° | 104.5° |
| C25 | S1 | O2 | 110.5° | 110.6° |
| S1 | C25 | H8 | 109.5° | 109.5° |
| S1 | C25 | H9 | 109.5° | 109.5° |
| S1 | C25 | H10 | 109.5° | 109.5° |
| C2 | C6 | CL2 | 126.4° | 120.0° |
| C6 | C2 | H2 | 121.2° | 120.0° |
| C13 | C5 | C28 | 103.6° | 109.5° |
| C5 | C13 | N1 | 116.3° | 125.7° |
| C5 | C13 | N2 | 132.0° | 125.7° |
| C5 | C28 | H22 | 109.5° | 109.5° |
| C5 | C28 | H23 | 109.5° | 109.4° |
| C5 | C28 | H24 | 109.5° | 109.5° |
| C13 | N1 | C16 | 105.3° | 109.3° |
| N1 | C13 | N2 | 111.6° | 108.6° |
| N1 | C16 | C18 | 121.2° | 125.9° |
| N1 | C16 | C17 | 111.1° | 108.2° |
| C13 | N2 | C17 | 105.0° | 107.0° |
| C13 | N2 | C14 | 128.3° | 126.5° |
| C18 | C16 | C17 | 127.6° | 125.9° |
| C16 | C18 | C19 | 110.6° | 109.5° |
| C16 | C18 | O3 | 109.4° | 109.5° |
| C16 | C17 | N2 | 106.9° | 106.8° |
| C16 | C17 | H5 | 126.5° | 126.6° |
| C19 | C18 | O3 | 105.3° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.6° |
| C18 | C19 | H16 | 109.4° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | O3 | H21 | 109.5° | 114.0° |
| C17 | N2 | C14 | 126.6° | 126.5° |
| N2 | C17 | H5 | 126.6° | 126.6° |
| N2 | C14 | C15 | 116.6° | 119.9° |
| O1 | S1 | C22 | 110.9° | 104.3° |
| O1 | S1 | O2 | 108.5° | 121.0° |
| C14 | C15 | C11 | 119.6° | 120.1° |
| C14 | C15 | H4 | 120.2° | 120.0° |
| C7 | C12 | C11 | 118.3° | 120.0° |
| C12 | C7 | C10 | 118.0° | 120.1° |
| C12 | C7 | C8 | 122.9° | 120.1° |
| C12 | C11 | C15 | 123.7° | 120.0° |
| C12 | C11 | H14 | 118.1° | 120.0° |
| C22 | S1 | O2 | 108.6° | 104.3° |
| S1 | C22 | C10 | 119.7° | 119.9° |
| S1 | C22 | C23 | 121.6° | 120.0° |
| C7 | C10 | C22 | 122.6° | 119.9° |
| C10 | C7 | C8 | 119.0° | 119.8° |
| C7 | C10 | H3 | 118.7° | 120.0° |
| C10 | C22 | C23 | 118.7° | 120.1° |
| C22 | C10 | H3 | 118.7° | 120.1° |
| C7 | C8 | C9 | 118.2° | 119.8° |
| C7 | C8 | H12 | 120.9° | 120.1° |
| C22 | C23 | C9 | 117.6° | 120.3° |
| C22 | C23 | C24 | 122.4° | 119.8° |
| C11 | C15 | H4 | 120.2° | 119.9° |
| C15 | C11 | H14 | 118.1° | 120.0° |
| C8 | C9 | C23 | 123.8° | 120.1° |
| C8 | C9 | F1 | 118.7° | 119.9° |
| C9 | C8 | H12 | 120.9° | 120.1° |
| C9 | C23 | C24 | 119.9° | 119.9° |
| C23 | C9 | F1 | 117.5° | 120.0° |
| C23 | C24 | O4 | 107.9° | 109.5° |
| C23 | C24 | H6 | 109.9° | 109.4° |
| C23 | C24 | H7 | 109.9° | 109.4° |
| O4 | C24 | H6 | 109.9° | 109.5° |
| O4 | C24 | H7 | 109.8° | 109.5° |
| C24 | O4 | H11 | 109.5° | 114.0° |
| H6 | C24 | H7 | 109.4° | 109.5° |
| H8 | C25 | H9 | 109.4° | 109.5° |
| H8 | C25 | H10 | 109.5° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H15 | C19 | H17 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.4° | 109.4° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H20 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.4° | 109.4° |
| H22 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.4° | 109.4° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C3 | C21 | C4 | 179.8° | 179.2° |
| CL1 | C3 | C21 | C1 | 178.2° | 179.7° |
| CL1 | C3 | C4 | C5 | 1.1° | 0.0° |
| CL1 | C3 | C4 | C6 | 179.8° | 180.0° |
| CL1 | C3 | C21 | H28 | 1.7° | 0.8° |
| C3 | C21 | C1 | H28 | 180.0° | 179.5° |
| C3 | C21 | C1 | C2 | 1.7° | 0.0° |
| C21 | C3 | C4 | C5 | 179.0° | 179.1° |
| C21 | C3 | C4 | C6 | 0.3° | 0.8° |
| C3 | C21 | C1 | H1 | 178.3° | 179.7° |
| C1 | C21 | C3 | C4 | 1.6° | 0.6° |
| C21 | C1 | C2 | H1 | 180.0° | 179.7° |
| C21 | C1 | C2 | C6 | 0.0° | 0.3° |
| C21 | C1 | C2 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C29 | 53.9° | 153.5° |
| C3 | C4 | C5 | C6 | 178.7° | 180.0° |
| C3 | C4 | C6 | C2 | 2.2° | 0.5° |
| C3 | C4 | C5 | C13 | 62.7° | 33.4° |
| C3 | C4 | C5 | C28 | 177.8° | 86.5° |
| C3 | C4 | C6 | CL2 | 177.5° | 179.4° |
| C4 | C3 | C21 | H28 | 178.4° | 180.0° |
| F2 | C27 | C26 | C14 | 177.5° | 180.0° |
| F2 | C27 | C26 | C12 | 179.6° | 180.0° |
| F2 | C27 | C14 | N2 | 0.4° | 0.0° |
| F2 | C27 | C14 | C15 | 177.3° | 179.7° |
| F2 | C27 | C26 | H13 | 0.5° | 0.1° |
| C1 | C2 | C6 | C4 | 2.0° | 0.1° |
| C1 | C2 | C6 | H2 | 180.0° | 180.0° |
| C1 | C2 | C6 | CL2 | 176.6° | 180.0° |
| C2 | C1 | C21 | H28 | 178.3° | 179.5° |
| C20 | C18 | C16 | N1 | 88.7° | 72.3° |
| C20 | C18 | C16 | C19 | 123.5° | 120.0° |
| C20 | C18 | C16 | O3 | 121.1° | 120.0° |
| C20 | C18 | C16 | C17 | 90.9° | 107.7° |
| C20 | C18 | C19 | O3 | 124.1° | 120.1° |
| C20 | C18 | C19 | H15 | 180.0° | 56.8° |
| C20 | C18 | C19 | H16 | 60.0° | 63.2° |
| C20 | C18 | C19 | H17 | 60.0° | 176.8° |
| C18 | C20 | H18 | H19 | 120.0° | 120.0° |
| C18 | C20 | H18 | H20 | 120.0° | 120.0° |
| C18 | C20 | H19 | H20 | 120.0° | 120.0° |
| C20 | C18 | O3 | H21 | 180.0° | 60.0° |
| C29 | C5 | C4 | C13 | 116.6° | 120.0° |
| C29 | C5 | C4 | C28 | 123.9° | 120.0° |
| C29 | C5 | C4 | C6 | 124.8° | 26.6° |
| C29 | C5 | C13 | C28 | 117.7° | 120.1° |
| C29 | C5 | C13 | N1 | 38.3° | 136.5° |
| C29 | C5 | C13 | N2 | 146.7° | 43.8° |
| C29 | C5 | C28 | H22 | 180.0° | 59.9° |
| C29 | C5 | C28 | H23 | 60.0° | 60.0° |
| C29 | C5 | C28 | H24 | 60.0° | 180.0° |
| C5 | C29 | H25 | H26 | 120.0° | 120.0° |
| C5 | C29 | H25 | H27 | 120.0° | 120.0° |
| C5 | C29 | H26 | H27 | 120.0° | 120.0° |
| C5 | C4 | C6 | C2 | 179.1° | 179.4° |
| C4 | C5 | C13 | C28 | 124.0° | 119.9° |
| C4 | C5 | C13 | N1 | 156.6° | 103.5° |
| C4 | C5 | C13 | N2 | 28.4° | 76.2° |
| C5 | C4 | C6 | CL2 | 3.8° | 0.6° |
| C4 | C5 | C28 | H22 | 58.8° | 60.0° |
| C4 | C5 | C28 | H23 | 61.2° | 180.0° |
| C4 | C5 | C28 | H24 | 178.8° | 60.0° |
| C4 | C5 | C29 | H25 | 180.0° | 25.5° |
| C4 | C5 | C29 | H26 | 60.0° | 145.4° |
| C4 | C5 | C29 | H27 | 60.0° | 94.6° |
| C4 | C6 | C2 | CL2 | 174.5° | 180.0° |
| C6 | C4 | C5 | C13 | 118.6° | 146.6° |
| C6 | C4 | C5 | C28 | 0.9° | 93.4° |
| C4 | C6 | C2 | H2 | 178.0° | 180.0° |
| C27 | C26 | C12 | H13 | 180.0° | 179.9° |
| C26 | C27 | C14 | N2 | 176.9° | 179.9° |
| C26 | C27 | C14 | C15 | 0.0° | 0.3° |
| C27 | C26 | C12 | C7 | 178.6° | 180.0° |
| C27 | C26 | C12 | C11 | 3.3° | 0.3° |
| C14 | C27 | C26 | C12 | 3.0° | 0.0° |
| C27 | C14 | N2 | C13 | 111.2° | 75.3° |
| C27 | C14 | N2 | C17 | 72.6° | 104.7° |
| C27 | C14 | N2 | C15 | 176.9° | 179.7° |
| C27 | C14 | C15 | C11 | 2.5° | 0.2° |
| C27 | C14 | C15 | H4 | 177.5° | 180.0° |
| C14 | C27 | C26 | H13 | 177.0° | 179.9° |
| C26 | C12 | C7 | C11 | 175.3° | 179.7° |
| C26 | C12 | C7 | C10 | 40.9° | 0.3° |
| C26 | C12 | C7 | C8 | 142.5° | 179.7° |
| C26 | C12 | C11 | C15 | 0.9° | 0.3° |
| C26 | C12 | C11 | H14 | 179.1° | 179.7° |
| C25 | S1 | O1 | C22 | 120.8° | 111.8° |
| C25 | S1 | O1 | O2 | 119.9° | 131.5° |
| C25 | S1 | C22 | O2 | 121.1° | 116.1° |
| C25 | S1 | C22 | C10 | 18.3° | 115.0° |
| C25 | S1 | C22 | C23 | 162.9° | 65.0° |
| S1 | C25 | H8 | H9 | 120.0° | 120.0° |
| S1 | C25 | H8 | H10 | 120.0° | 120.0° |
| S1 | C25 | H9 | H10 | 120.0° | 120.0° |
| C6 | C2 | C1 | H1 | 180.0° | 180.0° |
| C5 | C13 | N1 | N2 | 176.0° | 179.7° |
| C5 | C13 | N1 | C16 | 176.1° | 180.0° |
| C5 | C13 | N2 | C17 | 174.7° | 180.0° |
| C5 | C13 | N2 | C14 | 2.2° | 0.0° |
| C13 | C5 | C28 | H22 | 68.1° | 180.0° |
| C13 | C5 | C28 | H23 | 171.9° | 60.0° |
| C13 | C5 | C28 | H24 | 51.9° | 59.9° |
| C13 | C5 | C29 | H25 | 55.4° | 94.5° |
| C13 | C5 | C29 | H26 | 175.4° | 25.4° |
| C13 | C5 | C29 | H27 | 64.6° | 145.4° |
| C28 | C5 | C13 | N1 | 79.4° | 16.4° |
| C28 | C5 | C13 | N2 | 95.6° | 163.9° |
| C5 | C28 | H22 | H23 | 120.0° | 120.0° |
| C5 | C28 | H22 | H24 | 120.0° | 120.1° |
| C5 | C28 | H23 | H24 | 120.0° | 120.0° |
| C28 | C5 | C29 | H25 | 56.1° | 145.4° |
| C28 | C5 | C29 | H26 | 63.9° | 94.6° |
| C28 | C5 | C29 | H27 | 176.1° | 25.4° |
| C13 | N1 | C16 | C18 | 179.1° | 179.9° |
| C13 | N1 | C16 | C17 | 0.6° | 0.1° |
| N1 | C13 | N2 | C17 | 0.5° | 0.3° |
| N1 | C13 | N2 | C14 | 177.4° | 179.8° |
| C16 | N1 | C13 | N2 | 0.1° | 0.2° |
| N1 | C16 | C18 | C17 | 179.6° | 180.0° |
| N1 | C16 | C18 | C19 | 34.8° | 47.7° |
| N1 | C16 | C18 | O3 | 150.3° | 167.7° |
| N1 | C16 | C17 | N2 | 0.9° | 0.0° |
| N1 | C16 | C17 | H5 | 179.1° | 180.0° |
| C13 | N2 | C17 | C16 | 0.8° | 0.2° |
| C13 | N2 | C17 | C14 | 177.0° | 180.0° |
| C13 | N2 | C14 | C15 | 71.9° | 104.4° |
| C13 | N2 | C17 | H5 | 179.2° | 179.9° |
| CL2 | C6 | C2 | H2 | 3.4° | 0.0° |
| C16 | C18 | C19 | O3 | 118.0° | 120.0° |
| C18 | C16 | C17 | N2 | 178.7° | 179.9° |
| C18 | C16 | C17 | H5 | 1.3° | 0.0° |
| C16 | C18 | C19 | H15 | 62.2° | 63.2° |
| C16 | C18 | C19 | H16 | 57.8° | 176.8° |
| C16 | C18 | C19 | H17 | 177.8° | 56.8° |
| C16 | C18 | C20 | H18 | 180.0° | 60.0° |
| C16 | C18 | C20 | H19 | 60.0° | 180.0° |
| C16 | C18 | C20 | H20 | 60.0° | 60.0° |
| C16 | C18 | O3 | H21 | 63.9° | 180.0° |
| C17 | C16 | C18 | C19 | 145.6° | 132.3° |
| C17 | C16 | C18 | O3 | 30.1° | 12.3° |
| C16 | C17 | N2 | H5 | 180.0° | 180.0° |
| C16 | C17 | N2 | C14 | 177.8° | 179.8° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H17 | 120.0° | 120.1° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C19 | C18 | C20 | H18 | 58.9° | 180.0° |
| C19 | C18 | C20 | H19 | 61.2° | 60.0° |
| C19 | C18 | C20 | H20 | 178.9° | 60.0° |
| C19 | C18 | O3 | H21 | 54.9° | 60.1° |
| O3 | C18 | C19 | H15 | 55.8° | 176.8° |
| O3 | C18 | C19 | H16 | 175.9° | 56.8° |
| O3 | C18 | C19 | H17 | 64.2° | 63.2° |
| O3 | C18 | C20 | H18 | 61.2° | 60.0° |
| O3 | C18 | C20 | H19 | 178.8° | 60.0° |
| O3 | C18 | C20 | H20 | 58.8° | 180.0° |
| C17 | N2 | C14 | C15 | 104.3° | 75.6° |
| N2 | C14 | C15 | C11 | 179.7° | 179.9° |
| N2 | C14 | C15 | H4 | 0.3° | 0.3° |
| C14 | N2 | C17 | H5 | 2.2° | 0.1° |
| O1 | S1 | C22 | O2 | 119.2° | 127.8° |
| O1 | S1 | C22 | C10 | 138.0° | 1.1° |
| O1 | S1 | C22 | C23 | 43.2° | 178.9° |
| O1 | S1 | C25 | H8 | 180.0° | 171.7° |
| O1 | S1 | C25 | H9 | 60.0° | 68.3° |
| O1 | S1 | C25 | H10 | 60.0° | 51.7° |
| C14 | C15 | C11 | C12 | 2.2° | 0.0° |
| C14 | C15 | C11 | H4 | 180.0° | 179.8° |
| C14 | C15 | C11 | H14 | 177.8° | 180.0° |
| C12 | C7 | C10 | C8 | 176.7° | 180.0° |
| C12 | C7 | C10 | C22 | 179.9° | 180.0° |
| C7 | C12 | C11 | C15 | 176.4° | 180.0° |
| C12 | C7 | C8 | C9 | 178.1° | 180.0° |
| C12 | C7 | C10 | H3 | 0.1° | 0.3° |
| C12 | C7 | C8 | H12 | 1.9° | 0.0° |
| C7 | C12 | C26 | H13 | 1.4° | 0.1° |
| C7 | C12 | C11 | H14 | 3.6° | 0.0° |
| C11 | C12 | C7 | C10 | 134.4° | 180.0° |
| C11 | C12 | C7 | C8 | 42.1° | 0.0° |
| C12 | C11 | C15 | H14 | 180.0° | 179.9° |
| C12 | C11 | C15 | H4 | 177.8° | 179.7° |
| C11 | C12 | C26 | H13 | 176.7° | 179.8° |
| S1 | C22 | C10 | C7 | 178.5° | 180.0° |
| S1 | C22 | C10 | C23 | 178.8° | 179.9° |
| S1 | C22 | C23 | C9 | 179.0° | 180.0° |
| S1 | C22 | C23 | C24 | 3.3° | 0.0° |
| S1 | C22 | C10 | H3 | 1.5° | 0.2° |
| C22 | S1 | C25 | H8 | 58.6° | 60.0° |
| C22 | S1 | C25 | H9 | 61.4° | 180.0° |
| C22 | S1 | C25 | H10 | 178.6° | 60.0° |
| O2 | S1 | C22 | C10 | 102.8° | 128.9° |
| O2 | S1 | C22 | C23 | 76.0° | 51.1° |
| O2 | S1 | C25 | H8 | 61.4° | 51.7° |
| O2 | S1 | C25 | H9 | 178.7° | 68.3° |
| O2 | S1 | C25 | H10 | 58.7° | 171.6° |
| C7 | C10 | C22 | H3 | 180.0° | 179.8° |
| C7 | C10 | C22 | C23 | 2.7° | 0.1° |
| C10 | C7 | C8 | C9 | 1.6° | 0.0° |
| C10 | C7 | C8 | H12 | 178.4° | 180.0° |
| C22 | C10 | C7 | C8 | 3.4° | 0.1° |
| C10 | C22 | C23 | C9 | 0.3° | 0.0° |
| C10 | C22 | C23 | C24 | 175.4° | 180.0° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C7 | C8 | C9 | C23 | 0.7° | 0.0° |
| C7 | C8 | C9 | F1 | 178.1° | 180.0° |
| C8 | C7 | C10 | H3 | 176.6° | 179.7° |
| C22 | C23 | C9 | C8 | 1.4° | 0.0° |
| C22 | C23 | C9 | C24 | 175.8° | 180.0° |
| C22 | C23 | C9 | F1 | 177.4° | 179.9° |
| C22 | C23 | C24 | O4 | 100.8° | 90.0° |
| C23 | C22 | C10 | H3 | 177.3° | 179.7° |
| C22 | C23 | C24 | H6 | 19.0° | 150.0° |
| C22 | C23 | C24 | H7 | 139.5° | 30.0° |
| C8 | C9 | C23 | F1 | 178.9° | 180.0° |
| C8 | C9 | C23 | C24 | 177.2° | 180.0° |
| C9 | C23 | C24 | O4 | 74.8° | 90.0° |
| C9 | C23 | C24 | H6 | 165.4° | 30.0° |
| C9 | C23 | C24 | H7 | 44.9° | 150.0° |
| C23 | C9 | C8 | H12 | 179.2° | 180.0° |
| C24 | C23 | C9 | F1 | 1.6° | 0.0° |
| C23 | C24 | O4 | H6 | 119.8° | 120.0° |
| C23 | C24 | O4 | H7 | 119.8° | 120.0° |
| C23 | C24 | H6 | H7 | 120.7° | 119.9° |
| C23 | C24 | O4 | H11 | 180.0° | 180.0° |
| F1 | C9 | C8 | H12 | 1.9° | 0.0° |
| O4 | C24 | H6 | H7 | 120.7° | 120.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H1 | C1 | C21 | H28 | 1.7° | 0.3° |
| H4 | C15 | C11 | H14 | 2.2° | 0.2° |
| H6 | C24 | O4 | H11 | 60.2° | 60.0° |
| H7 | C24 | O4 | H11 | 60.2° | 60.0° |
| H8 | C25 | H9 | H10 | 120.0° | 120.0° |
| H15 | C19 | H16 | H17 | 120.0° | 119.9° |
| H18 | C20 | H19 | H20 | 120.0° | 120.0° |
| H22 | C28 | H23 | H24 | 120.0° | 120.0° |
| H25 | C29 | H26 | H27 | 120.0° | 120.0° |
