8SO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C20 | sing | 1.53Å | 1.51Å | |
| C2 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.42Å | |
| C9 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C17 | sing | 1.51Å | 1.47Å | |
| C11 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C20 | sing | 1.51Å | 1.47Å | |
| C12 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C1 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | N23 | sing | 1.47Å | 1.48Å | |
| C18 | N22 | sing | 1.47Å | 1.49Å | |
| N22 | S28 | sing | 1.66Å | 1.72Å | |
| N23 | S29 | sing | 1.66Å | 1.71Å | |
| O25 | S28 | doub | 1.42Å | 1.45Å | |
| O27 | S29 | doub | 1.42Å | 1.45Å | |
| S28 | C16 | sing | 1.81Å | 1.76Å | |
| S28 | O24 | doub | 1.42Å | 1.45Å | |
| C21 | S29 | sing | 1.81Å | 1.78Å | |
| C21 | C14 | sing | 1.53Å | 1.51Å | |
| C21 | C15 | sing | 1.53Å | 1.51Å | |
| S29 | O26 | doub | 1.42Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| N22 | H29 | sing | 0.97Å | 1.00Å | |
| N23 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C20 | C12 | 110.7° | 109.5° |
| C13 | C20 | C19 | 110.5° | 109.5° |
| C20 | C13 | H6 | 109.5° | 109.5° |
| C20 | C13 | H7 | 109.5° | 109.4° |
| C20 | C13 | H8 | 109.5° | 109.5° |
| C13 | C20 | H14 | 111.4° | 109.5° |
| C6 | C2 | C9 | 119.7° | 119.9° |
| C2 | C6 | C11 | 120.1° | 120.1° |
| C2 | C6 | H3 | 120.0° | 120.0° |
| C6 | C2 | H17 | 120.2° | 120.0° |
| C2 | C9 | C10 | 121.2° | 120.1° |
| C2 | C9 | C1 | 119.9° | 119.8° |
| C9 | C2 | H17 | 120.2° | 120.1° |
| C6 | C11 | C17 | 119.4° | 119.9° |
| C6 | C11 | C5 | 120.7° | 120.2° |
| C11 | C6 | H3 | 120.0° | 119.9° |
| C7 | C3 | C10 | 119.6° | 119.9° |
| C3 | C7 | C12 | 120.4° | 120.1° |
| C3 | C7 | H4 | 119.8° | 120.0° |
| C7 | C3 | H18 | 120.2° | 120.0° |
| C3 | C10 | C9 | 120.8° | 120.1° |
| C3 | C10 | C4 | 119.9° | 119.8° |
| C10 | C3 | H18 | 120.2° | 120.1° |
| C7 | C12 | C20 | 118.8° | 119.9° |
| C7 | C12 | C8 | 120.1° | 120.2° |
| C12 | C7 | H4 | 119.8° | 119.9° |
| C10 | C9 | C1 | 118.8° | 120.1° |
| C9 | C10 | C4 | 119.2° | 120.1° |
| C9 | C1 | C5 | 120.7° | 119.9° |
| C9 | C1 | H16 | 119.6° | 120.1° |
| C10 | C4 | C8 | 120.5° | 119.9° |
| C10 | C4 | H1 | 119.8° | 120.1° |
| C17 | C11 | C5 | 119.9° | 119.9° |
| C11 | C17 | C18 | 100.2° | 109.5° |
| C11 | C17 | H12 | 111.8° | 109.5° |
| C11 | C17 | H13 | 111.7° | 109.5° |
| C11 | C5 | C1 | 118.9° | 120.1° |
| C11 | C5 | H2 | 120.5° | 119.9° |
| C17 | C18 | N22 | 107.3° | 109.5° |
| C18 | C17 | H12 | 111.7° | 109.5° |
| C18 | C17 | H13 | 111.8° | 109.5° |
| C17 | C18 | H25 | 110.0° | 109.5° |
| C17 | C18 | H26 | 110.0° | 109.5° |
| C20 | C12 | C8 | 121.1° | 119.9° |
| C12 | C20 | C19 | 100.7° | 109.5° |
| C12 | C20 | H14 | 111.9° | 109.5° |
| C12 | C8 | C4 | 119.5° | 120.1° |
| C12 | C8 | H5 | 120.2° | 119.9° |
| C8 | C4 | H1 | 119.8° | 120.0° |
| C4 | C8 | H5 | 120.3° | 119.9° |
| C20 | C19 | N23 | 106.6° | 109.5° |
| C19 | C20 | H14 | 111.2° | 109.4° |
| C20 | C19 | H27 | 110.2° | 109.4° |
| C20 | C19 | H28 | 110.2° | 109.5° |
| C1 | C5 | H2 | 120.6° | 119.9° |
| C5 | C1 | H16 | 119.6° | 120.1° |
| C19 | N23 | S29 | 117.7° | 120.0° |
| N23 | C19 | H27 | 110.2° | 109.5° |
| N23 | C19 | H28 | 110.2° | 109.5° |
| C19 | N23 | H30 | 107.4° | 120.0° |
| C18 | N22 | S28 | 120.1° | 120.0° |
| N22 | C18 | H25 | 110.0° | 109.5° |
| N22 | C18 | H26 | 110.0° | 109.5° |
| C18 | N22 | H29 | 106.7° | 119.9° |
| N22 | S28 | O25 | 110.2° | 104.2° |
| N22 | S28 | C16 | 97.8° | 104.5° |
| N22 | S28 | O24 | 109.7° | 104.3° |
| S28 | N22 | H29 | 106.7° | 120.1° |
| N23 | S29 | O27 | 111.0° | 104.3° |
| N23 | S29 | C21 | 96.8° | 104.5° |
| N23 | S29 | O26 | 109.9° | 104.3° |
| S29 | N23 | H30 | 107.4° | 120.0° |
| O25 | S28 | C16 | 106.6° | 110.5° |
| O25 | S28 | O24 | 121.2° | 121.0° |
| O27 | S29 | C21 | 107.4° | 110.5° |
| O27 | S29 | O26 | 118.8° | 121.0° |
| C16 | S28 | O24 | 108.6° | 110.6° |
| S28 | C16 | H22 | 109.5° | 109.5° |
| S28 | C16 | H23 | 109.5° | 109.5° |
| S28 | C16 | H24 | 109.4° | 109.4° |
| S29 | C21 | C14 | 108.5° | 109.5° |
| S29 | C21 | C15 | 111.1° | 109.5° |
| C21 | S29 | O26 | 110.7° | 110.5° |
| S29 | C21 | H15 | 106.7° | 109.4° |
| C14 | C21 | C15 | 110.7° | 109.5° |
| C14 | C21 | H15 | 109.8° | 109.5° |
| C21 | C14 | H19 | 109.5° | 109.4° |
| C21 | C14 | H20 | 109.4° | 109.4° |
| C21 | C14 | H21 | 109.5° | 109.5° |
| C21 | C15 | H9 | 109.5° | 109.5° |
| C21 | C15 | H10 | 109.5° | 109.5° |
| C21 | C15 | H11 | 109.5° | 109.5° |
| C15 | C21 | H15 | 109.9° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.4° |
| H9 | C15 | H11 | 109.4° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.4° | 109.4° |
| H25 | C18 | H26 | 109.4° | 109.4° |
| H27 | C19 | H28 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C20 | C12 | C7 | 60.0° | 120.0° |
| C13 | C20 | C12 | C19 | 116.9° | 120.1° |
| C13 | C20 | C12 | H14 | 124.9° | 120.0° |
| C13 | C20 | C12 | C8 | 121.1° | 60.6° |
| C13 | C20 | C19 | H14 | 124.2° | 120.0° |
| C13 | C20 | C19 | N23 | 149.5° | 64.9° |
| C20 | C13 | H6 | H7 | 120.0° | 120.0° |
| C20 | C13 | H6 | H8 | 120.0° | 120.0° |
| C20 | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | C20 | C19 | H27 | 91.0° | 55.0° |
| C13 | C20 | C19 | H28 | 29.9° | 175.0° |
| C6 | C2 | C9 | H17 | 180.0° | 179.7° |
| C2 | C6 | C11 | H3 | 180.0° | 180.0° |
| C6 | C2 | C9 | C10 | 175.3° | 179.7° |
| C6 | C2 | C9 | C1 | 0.6° | 0.3° |
| C2 | C6 | C11 | C17 | 178.8° | 180.0° |
| C2 | C6 | C11 | C5 | 0.5° | 0.0° |
| C9 | C2 | C6 | C11 | 0.3° | 0.3° |
| C2 | C9 | C10 | C3 | 151.0° | 0.0° |
| C2 | C9 | C10 | C1 | 176.0° | 180.0° |
| C2 | C9 | C10 | C4 | 33.0° | 180.0° |
| C2 | C9 | C1 | C5 | 0.1° | 0.0° |
| C9 | C2 | C6 | H3 | 179.6° | 179.7° |
| C2 | C9 | C1 | H16 | 179.9° | 180.0° |
| C6 | C11 | C17 | C5 | 179.3° | 180.0° |
| C6 | C11 | C17 | C18 | 81.1° | 90.0° |
| C6 | C11 | C5 | C1 | 1.0° | 0.3° |
| C6 | C11 | C5 | H2 | 178.9° | 180.0° |
| C6 | C11 | C17 | H12 | 160.4° | 150.0° |
| C6 | C11 | C17 | H13 | 37.4° | 30.0° |
| C11 | C6 | C2 | H17 | 179.7° | 179.9° |
| C7 | C3 | C10 | H18 | 180.0° | 179.6° |
| C3 | C7 | C12 | H4 | 180.0° | 179.9° |
| C7 | C3 | C10 | C9 | 176.6° | 180.0° |
| C7 | C3 | C10 | C4 | 0.6° | 0.0° |
| C3 | C7 | C12 | C20 | 178.9° | 180.0° |
| C3 | C7 | C12 | C8 | 0.1° | 0.6° |
| C10 | C3 | C7 | C12 | 0.1° | 0.3° |
| C3 | C10 | C9 | C4 | 176.0° | 180.0° |
| C3 | C10 | C9 | C1 | 33.0° | 180.0° |
| C3 | C10 | C4 | C8 | 0.9° | 0.0° |
| C3 | C10 | C4 | H1 | 179.1° | 179.8° |
| C10 | C3 | C7 | H4 | 179.9° | 179.7° |
| C7 | C12 | C20 | C8 | 178.8° | 179.4° |
| C7 | C12 | C8 | C4 | 0.3° | 0.5° |
| C7 | C12 | C20 | C19 | 56.8° | 119.9° |
| C7 | C12 | C8 | H5 | 179.7° | 179.4° |
| C7 | C12 | C20 | H14 | 175.1° | 0.0° |
| C12 | C7 | C3 | H18 | 179.9° | 180.0° |
| C9 | C10 | C4 | C8 | 177.0° | 180.0° |
| C10 | C9 | C1 | C5 | 175.9° | 180.0° |
| C9 | C10 | C4 | H1 | 3.0° | 0.3° |
| C10 | C9 | C1 | H16 | 4.1° | 0.0° |
| C10 | C9 | C2 | H17 | 4.7° | 0.0° |
| C9 | C10 | C3 | H18 | 3.4° | 0.3° |
| C1 | C9 | C10 | C4 | 143.0° | 0.0° |
| C9 | C1 | C5 | C11 | 0.7° | 0.3° |
| C9 | C1 | C5 | H16 | 180.0° | 180.0° |
| C9 | C1 | C5 | H2 | 179.2° | 180.0° |
| C1 | C9 | C2 | H17 | 179.4° | 179.9° |
| C10 | C4 | C8 | C12 | 0.8° | 0.2° |
| C10 | C4 | C8 | H1 | 180.0° | 179.8° |
| C10 | C4 | C8 | H5 | 179.2° | 179.7° |
| C4 | C10 | C3 | H18 | 179.4° | 179.7° |
| C11 | C17 | C18 | H12 | 118.5° | 120.0° |
| C11 | C17 | C18 | H13 | 118.5° | 120.1° |
| C17 | C11 | C5 | C1 | 178.3° | 179.7° |
| C11 | C17 | C18 | N22 | 17.0° | 180.0° |
| C17 | C11 | C5 | H2 | 1.7° | 0.1° |
| C17 | C11 | C6 | H3 | 1.2° | 0.0° |
| C11 | C17 | H12 | H13 | 124.3° | 120.0° |
| C11 | C17 | C18 | H25 | 136.6° | 60.0° |
| C11 | C17 | C18 | H26 | 102.7° | 59.9° |
| C5 | C11 | C17 | C18 | 98.2° | 90.0° |
| C11 | C5 | C1 | H2 | 180.0° | 179.6° |
| C5 | C11 | C6 | H3 | 179.5° | 180.0° |
| C5 | C11 | C17 | H12 | 20.3° | 30.0° |
| C5 | C11 | C17 | H13 | 143.3° | 150.0° |
| C11 | C5 | C1 | H16 | 179.3° | 179.7° |
| C17 | C18 | N22 | H25 | 119.7° | 120.0° |
| C17 | C18 | N22 | H26 | 119.7° | 120.1° |
| C17 | C18 | N22 | S28 | 148.4° | 165.0° |
| C18 | C17 | H12 | H13 | 124.4° | 120.0° |
| C17 | C18 | H25 | H26 | 121.0° | 120.0° |
| C17 | C18 | N22 | H29 | 27.0° | 15.1° |
| C20 | C12 | C8 | C4 | 178.5° | 179.9° |
| C12 | C20 | C19 | H14 | 118.7° | 120.0° |
| C12 | C20 | C19 | N23 | 32.4° | 175.0° |
| C20 | C12 | C7 | H4 | 1.1° | 0.1° |
| C20 | C12 | C8 | H5 | 1.5° | 0.0° |
| C12 | C20 | C13 | H6 | 180.0° | 180.0° |
| C12 | C20 | C13 | H7 | 60.0° | 60.0° |
| C12 | C20 | C13 | H8 | 60.0° | 60.0° |
| C12 | C20 | C19 | H27 | 152.0° | 65.1° |
| C12 | C20 | C19 | H28 | 87.2° | 54.9° |
| C12 | C8 | C4 | H5 | 180.0° | 179.9° |
| C8 | C12 | C20 | C19 | 122.0° | 59.5° |
| C12 | C8 | C4 | H1 | 179.2° | 180.0° |
| C8 | C12 | C7 | H4 | 180.0° | 179.5° |
| C8 | C12 | C20 | H14 | 3.8° | 179.4° |
| C20 | C19 | N23 | H27 | 119.6° | 119.9° |
| C20 | C19 | N23 | H28 | 119.6° | 120.1° |
| C20 | C19 | N23 | S29 | 165.9° | 163.8° |
| C19 | C20 | C13 | H6 | 69.3° | 60.0° |
| C19 | C20 | C13 | H7 | 170.7° | 179.9° |
| C19 | C20 | C13 | H8 | 50.7° | 60.0° |
| C20 | C19 | H27 | H28 | 121.3° | 120.0° |
| C20 | C19 | N23 | H30 | 44.8° | 16.2° |
| C19 | N23 | S29 | H30 | 121.2° | 180.0° |
| C19 | N23 | S29 | O27 | 91.1° | 178.8° |
| C19 | N23 | S29 | C21 | 20.6° | 65.2° |
| C19 | N23 | S29 | O26 | 135.5° | 50.9° |
| N23 | C19 | C20 | H14 | 86.3° | 55.0° |
| N23 | C19 | H27 | H28 | 121.3° | 120.0° |
| C18 | N22 | S28 | H29 | 121.5° | 179.9° |
| C18 | N22 | S28 | O25 | 80.6° | 179.0° |
| C18 | N22 | S28 | C16 | 30.4° | 65.0° |
| C18 | N22 | S28 | O24 | 143.4° | 51.1° |
| N22 | C18 | C17 | H12 | 101.5° | 60.0° |
| N22 | C18 | C17 | H13 | 135.4° | 59.9° |
| N22 | C18 | H25 | H26 | 121.0° | 120.0° |
| N22 | S28 | O25 | C16 | 105.1° | 111.7° |
| N22 | S28 | O25 | O24 | 130.0° | 116.7° |
| N22 | S28 | C16 | O24 | 113.9° | 111.6° |
| N22 | S28 | C16 | H22 | 180.0° | 60.0° |
| N22 | S28 | C16 | H23 | 60.0° | 180.0° |
| N22 | S28 | C16 | H24 | 60.0° | 60.1° |
| S28 | N22 | C18 | H25 | 91.9° | 45.0° |
| S28 | N22 | C18 | H26 | 28.8° | 74.9° |
| N23 | S29 | O27 | C21 | 104.7° | 111.7° |
| N23 | S29 | O27 | O26 | 128.7° | 116.8° |
| N23 | S29 | C21 | O26 | 114.3° | 111.7° |
| N23 | S29 | C21 | C14 | 168.0° | 178.4° |
| N23 | S29 | C21 | C15 | 70.1° | 58.4° |
| N23 | S29 | C21 | H15 | 49.7° | 61.6° |
| S29 | N23 | C19 | H27 | 74.5° | 43.9° |
| S29 | N23 | C19 | H28 | 46.4° | 76.1° |
| O25 | S28 | C16 | O24 | 132.2° | 136.8° |
| O25 | S28 | C16 | H22 | 66.1° | 51.6° |
| O25 | S28 | C16 | H23 | 173.8° | 68.4° |
| O25 | S28 | C16 | H24 | 53.9° | 171.6° |
| O25 | S28 | N22 | H29 | 40.9° | 1.1° |
| O27 | S29 | C21 | O26 | 131.2° | 136.7° |
| O27 | S29 | C21 | C14 | 53.4° | 66.8° |
| O27 | S29 | C21 | C15 | 175.3° | 53.2° |
| O27 | S29 | C21 | H15 | 64.9° | 173.2° |
| O27 | S29 | N23 | H30 | 30.1° | 1.2° |
| S28 | C16 | H22 | H23 | 120.0° | 120.0° |
| S28 | C16 | H22 | H24 | 120.0° | 120.0° |
| S28 | C16 | H23 | H24 | 119.9° | 119.9° |
| C16 | S28 | N22 | H29 | 151.8° | 114.9° |
| O24 | S28 | C16 | H22 | 66.1° | 171.6° |
| O24 | S28 | C16 | H23 | 54.0° | 68.3° |
| O24 | S28 | C16 | H24 | 173.9° | 51.6° |
| O24 | S28 | N22 | H29 | 95.1° | 128.9° |
| S29 | C21 | C14 | C15 | 122.1° | 120.0° |
| S29 | C21 | C14 | H15 | 116.3° | 119.9° |
| S29 | C21 | C15 | H15 | 117.8° | 119.9° |
| S29 | C21 | C15 | H9 | 180.0° | 60.1° |
| S29 | C21 | C15 | H10 | 60.0° | 180.0° |
| S29 | C21 | C15 | H11 | 60.0° | 59.9° |
| S29 | C21 | C14 | H19 | 180.0° | 55.8° |
| S29 | C21 | C14 | H20 | 60.0° | 64.2° |
| S29 | C21 | C14 | H21 | 60.0° | 175.8° |
| C21 | S29 | N23 | H30 | 141.8° | 114.8° |
| C14 | C21 | C15 | H15 | 121.5° | 120.0° |
| C14 | C21 | S29 | O26 | 77.7° | 69.9° |
| C14 | C21 | C15 | H9 | 59.4° | 60.0° |
| C14 | C21 | C15 | H10 | 60.6° | 59.9° |
| C14 | C21 | C15 | H11 | 179.4° | 180.0° |
| C21 | C14 | H19 | H20 | 120.0° | 120.0° |
| C21 | C14 | H19 | H21 | 120.0° | 120.0° |
| C21 | C14 | H20 | H21 | 120.0° | 120.0° |
| C15 | C21 | S29 | O26 | 44.2° | 170.0° |
| C21 | C15 | H9 | H10 | 120.0° | 120.0° |
| C21 | C15 | H9 | H11 | 120.0° | 120.1° |
| C21 | C15 | H10 | H11 | 120.0° | 120.1° |
| C15 | C21 | C14 | H19 | 57.9° | 64.3° |
| C15 | C21 | C14 | H20 | 177.9° | 175.7° |
| C15 | C21 | C14 | H21 | 62.1° | 55.7° |
| O26 | S29 | C21 | H15 | 163.9° | 50.1° |
| O26 | S29 | N23 | H30 | 103.3° | 129.1° |
| H1 | C4 | C8 | H5 | 0.8° | 0.1° |
| H2 | C5 | C1 | H16 | 0.8° | 0.1° |
| H3 | C6 | C2 | H17 | 0.3° | 0.0° |
| H4 | C7 | C3 | H18 | 0.1° | 0.1° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H6 | C13 | C20 | H14 | 54.9° | 60.0° |
| H7 | C13 | C20 | H14 | 65.2° | 60.0° |
| H8 | C13 | C20 | H14 | 174.9° | 180.0° |
| H9 | C15 | H10 | H11 | 120.0° | 119.9° |
| H9 | C15 | C21 | H15 | 62.1° | 180.0° |
| H10 | C15 | C21 | H15 | 177.8° | 60.1° |
| H11 | C15 | C21 | H15 | 57.8° | 60.0° |
| H12 | C17 | C18 | H25 | 18.1° | 180.0° |
| H12 | C17 | C18 | H26 | 138.8° | 60.0° |
| H13 | C17 | C18 | H25 | 104.9° | 60.0° |
| H13 | C17 | C18 | H26 | 15.7° | NaN° |
| H14 | C20 | C19 | H27 | 33.3° | 175.0° |
| H14 | C20 | C19 | H28 | 154.1° | 65.0° |
| H15 | C21 | C14 | H19 | 63.7° | 175.7° |
| H15 | C21 | C14 | H20 | 56.3° | 55.7° |
| H15 | C21 | C14 | H21 | 176.3° | 64.3° |
| H19 | C14 | H20 | H21 | 120.0° | 120.1° |
| H22 | C16 | H23 | H24 | 120.0° | 120.0° |
| H25 | C18 | N22 | H29 | 146.7° | 135.0° |
| H26 | C18 | N22 | H29 | 92.7° | 105.0° |
| H27 | C19 | N23 | H30 | 164.3° | 136.1° |
| H28 | C19 | N23 | H30 | 74.8° | 103.9° |
