9ML
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C3 | sing | 1.51Å | 1.53Å | |
| O3 | C21 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C10 | sing | 1.48Å | 1.47Å | |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.51Å | |
| C20 | S1 | sing | 1.81Å | 1.83Å | |
| O2 | S1 | doub | 1.42Å | 1.48Å | |
| C7 | S1 | sing | 1.76Å | 1.79Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C18 | sing | 1.32Å | 1.38Å | Aromatic |
| C22 | C13 | sing | 1.53Å | 1.50Å | |
| C22 | C14 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| S1 | O1 | doub | 1.42Å | 1.48Å | |
| C15 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | C14 | sing | 1.51Å | 1.48Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C1 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 108.7° | 109.5° |
| C28 | C27 | H22 | 109.7° | 109.5° |
| C28 | C27 | H23 | 109.6° | 109.5° |
| C27 | C28 | H24 | 109.5° | 109.5° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.5° |
| C27 | C26 | C25 | 108.8° | 109.5° |
| C27 | C26 | H20 | 109.7° | 109.5° |
| C27 | C26 | H21 | 109.7° | 109.5° |
| C26 | C27 | H22 | 109.7° | 109.5° |
| C26 | C27 | H23 | 109.6° | 109.4° |
| C26 | C25 | C24 | 103.7° | 109.5° |
| C26 | C25 | H18 | 110.9° | 109.5° |
| C26 | C25 | H19 | 110.9° | 109.4° |
| C25 | C26 | H20 | 109.6° | 109.5° |
| C25 | C26 | H21 | 109.6° | 109.4° |
| C25 | C24 | C3 | 109.7° | 109.5° |
| C25 | C24 | H16 | 109.4° | 109.5° |
| C25 | C24 | H17 | 109.4° | 109.5° |
| C24 | C25 | H18 | 110.9° | 109.5° |
| C24 | C25 | H19 | 110.9° | 109.5° |
| C1 | C23 | C3 | 118.5° | 120.1° |
| C23 | C1 | C6 | 120.3° | 119.9° |
| C1 | C23 | H27 | 120.7° | 120.0° |
| C23 | C1 | H28 | 119.9° | 120.1° |
| C23 | C3 | C24 | 120.6° | 119.8° |
| C23 | C3 | C4 | 121.3° | 120.2° |
| C3 | C23 | H27 | 120.8° | 120.0° |
| C1 | C6 | C10 | 121.4° | 120.1° |
| C1 | C6 | C5 | 120.4° | 119.7° |
| C6 | C1 | H28 | 119.8° | 120.0° |
| C24 | C3 | C4 | 118.0° | 119.9° |
| C3 | C24 | H16 | 109.4° | 109.5° |
| C3 | C24 | H17 | 109.4° | 109.4° |
| O3 | C21 | C20 | 108.4° | 109.5° |
| O3 | C21 | H11 | 109.7° | 109.5° |
| O3 | C21 | H12 | 109.8° | 109.5° |
| C21 | O3 | H13 | 109.5° | 114.0° |
| C3 | C4 | C5 | 119.5° | 120.1° |
| C3 | C4 | C13 | 122.1° | 119.9° |
| C21 | C20 | S1 | 114.2° | 109.5° |
| C21 | C20 | H7 | 108.3° | 109.4° |
| C21 | C20 | H8 | 108.3° | 109.5° |
| C20 | C21 | H11 | 109.8° | 109.5° |
| C20 | C21 | H12 | 109.7° | 109.5° |
| C12 | C11 | C10 | 118.5° | 119.9° |
| C11 | C12 | C7 | 120.2° | 120.1° |
| C11 | C12 | H1 | 119.9° | 120.0° |
| C12 | C11 | H15 | 120.8° | 120.0° |
| C11 | C10 | C6 | 119.0° | 120.1° |
| C11 | C10 | C9 | 119.7° | 119.7° |
| C10 | C11 | H15 | 120.8° | 120.1° |
| C10 | C6 | C5 | 118.2° | 120.2° |
| C6 | C10 | C9 | 121.3° | 120.1° |
| C6 | C5 | C4 | 119.9° | 119.9° |
| C6 | C5 | H9 | 120.1° | 120.0° |
| C12 | C7 | S1 | 117.4° | 119.9° |
| C12 | C7 | C8 | 123.8° | 120.3° |
| C7 | C12 | H1 | 119.9° | 120.0° |
| C10 | C9 | C8 | 122.6° | 119.9° |
| C10 | C9 | H10 | 118.7° | 120.0° |
| C5 | C4 | C13 | 118.4° | 120.0° |
| C4 | C5 | H9 | 120.0° | 120.1° |
| C4 | C13 | C22 | 119.2° | 117.5° |
| C4 | C13 | C14 | 121.3° | 117.5° |
| C4 | C13 | H2 | 115.3° | 115.6° |
| C20 | S1 | O2 | 108.7° | 110.5° |
| C20 | S1 | C7 | 110.4° | 104.5° |
| C20 | S1 | O1 | 101.6° | 110.5° |
| S1 | C20 | H7 | 108.3° | 109.5° |
| S1 | C20 | H8 | 108.3° | 109.5° |
| O2 | S1 | C7 | 103.8° | 104.3° |
| O2 | S1 | O1 | 124.1° | 121.0° |
| S1 | C7 | C8 | 118.6° | 119.9° |
| C7 | S1 | O1 | 108.0° | 104.3° |
| C7 | C8 | C9 | 115.2° | 120.1° |
| C7 | C8 | H14 | 122.4° | 119.9° |
| N1 | C19 | C15 | 121.4° | 120.8° |
| C19 | N1 | C18 | 118.6° | 121.7° |
| N1 | C19 | H6 | 119.3° | 119.6° |
| C19 | C15 | C16 | 120.2° | 119.1° |
| C19 | C15 | H4 | 119.9° | 120.4° |
| C15 | C19 | H6 | 119.3° | 119.6° |
| N1 | C18 | C14 | 114.6° | 119.6° |
| N1 | C18 | C17 | 122.8° | 120.8° |
| C13 | C22 | C14 | 61.8° | 60.0° |
| C22 | C13 | C14 | 59.1° | 60.0° |
| C22 | C13 | H2 | 115.6° | 117.5° |
| C13 | C22 | H29 | 119.7° | 117.5° |
| C13 | C22 | H30 | 119.7° | 117.5° |
| C22 | C14 | C13 | 59.0° | 60.0° |
| C22 | C14 | C18 | 114.5° | 117.5° |
| C22 | C14 | H3 | 116.1° | 117.5° |
| C14 | C22 | H29 | 119.7° | 117.5° |
| C14 | C22 | H30 | 119.7° | 117.5° |
| C8 | C9 | H10 | 118.7° | 120.1° |
| C9 | C8 | H14 | 122.4° | 120.0° |
| C13 | C14 | C18 | 122.7° | 117.5° |
| C14 | C13 | H2 | 114.8° | 117.5° |
| C13 | C14 | H3 | 115.4° | 117.5° |
| C15 | C16 | C17 | 117.9° | 118.5° |
| C16 | C15 | H4 | 119.9° | 120.5° |
| C15 | C16 | H31 | 121.0° | 120.7° |
| C14 | C18 | C17 | 122.6° | 119.6° |
| C18 | C14 | H3 | 116.4° | 115.6° |
| C18 | C17 | C16 | 119.1° | 119.1° |
| C18 | C17 | H5 | 120.5° | 120.4° |
| C16 | C17 | H5 | 120.5° | 120.4° |
| C17 | C16 | H31 | 121.1° | 120.8° |
| H7 | C20 | H8 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.4° |
| H24 | C28 | H25 | 109.5° | 109.4° |
| H24 | C28 | H26 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H22 | 119.9° | 120.0° |
| C28 | C27 | C26 | H23 | 119.9° | 120.0° |
| C28 | C27 | C26 | C25 | 173.7° | 180.0° |
| C28 | C27 | C26 | H20 | 53.8° | 60.0° |
| C28 | C27 | C26 | H21 | 66.4° | 60.0° |
| C28 | C27 | H22 | H23 | 120.3° | 120.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| C27 | C28 | H24 | H26 | 120.0° | 120.1° |
| C27 | C28 | H25 | H26 | 120.0° | 120.0° |
| C27 | C26 | C25 | H20 | 119.9° | 120.0° |
| C27 | C26 | C25 | H21 | 119.9° | 120.0° |
| C27 | C26 | C25 | C24 | 145.7° | 180.0° |
| C27 | C26 | C25 | H18 | 26.6° | 60.0° |
| C27 | C26 | C25 | H19 | 95.3° | 60.0° |
| C27 | C26 | H20 | H21 | 120.3° | 120.0° |
| C26 | C27 | H22 | H23 | 120.3° | 119.9° |
| C26 | C27 | C28 | H24 | 180.0° | 60.0° |
| C26 | C27 | C28 | H25 | 60.0° | 60.0° |
| C26 | C27 | C28 | H26 | 60.0° | 180.0° |
| C26 | C25 | C24 | H18 | 119.1° | 120.0° |
| C26 | C25 | C24 | H19 | 119.1° | 120.0° |
| C26 | C25 | C24 | C3 | 178.7° | 180.0° |
| C26 | C25 | C24 | H16 | 61.3° | 60.0° |
| C26 | C25 | C24 | H17 | 58.6° | 60.0° |
| C26 | C25 | H18 | H19 | 122.7° | 120.0° |
| C25 | C26 | H20 | H21 | 120.3° | 120.0° |
| C25 | C26 | C27 | H22 | 66.4° | 60.0° |
| C25 | C26 | C27 | H23 | 53.8° | 60.0° |
| C25 | C24 | C3 | C23 | 83.7° | 95.0° |
| C25 | C24 | C3 | H16 | 120.0° | 120.0° |
| C25 | C24 | C3 | H17 | 120.0° | 120.0° |
| C25 | C24 | C3 | C4 | 101.7° | 84.9° |
| C25 | C24 | H16 | H17 | 119.9° | 120.0° |
| C24 | C25 | H18 | H19 | 122.7° | 120.0° |
| C24 | C25 | C26 | H20 | 94.4° | 60.0° |
| C24 | C25 | C26 | H21 | 25.8° | 60.0° |
| C1 | C23 | C3 | H27 | 180.0° | 179.7° |
| C23 | C1 | C6 | H28 | 180.0° | 179.7° |
| C1 | C23 | C3 | C24 | 178.0° | 179.8° |
| C1 | C23 | C3 | C4 | 3.5° | 0.3° |
| C23 | C1 | C6 | C10 | 178.7° | 180.0° |
| C23 | C1 | C6 | C5 | 1.2° | 0.0° |
| C3 | C23 | C1 | C6 | 2.0° | 0.3° |
| C23 | C3 | C24 | C4 | 174.6° | 179.9° |
| C23 | C3 | C4 | C5 | 4.2° | 0.1° |
| C23 | C3 | C4 | C13 | 175.6° | 180.0° |
| C23 | C3 | C24 | H16 | 36.4° | 25.1° |
| C23 | C3 | C24 | H17 | 156.3° | 145.0° |
| C3 | C23 | C1 | H28 | 178.0° | 180.0° |
| C1 | C6 | C10 | C11 | 16.6° | 179.2° |
| C1 | C6 | C10 | C5 | 179.9° | 180.0° |
| C1 | C6 | C10 | C9 | 163.7° | 0.0° |
| C1 | C6 | C5 | C4 | 1.9° | 0.2° |
| C1 | C6 | C5 | H9 | 178.2° | 180.0° |
| C6 | C1 | C23 | H27 | 178.1° | 180.0° |
| C24 | C3 | C4 | C5 | 178.8° | 180.0° |
| C24 | C3 | C4 | C13 | 1.0° | 0.1° |
| C3 | C24 | H16 | H17 | 119.9° | 119.9° |
| C3 | C24 | C25 | H18 | 59.6° | 60.0° |
| C3 | C24 | C25 | H19 | 62.3° | 60.0° |
| C24 | C3 | C23 | H27 | 2.1° | 0.0° |
| O3 | C21 | C20 | H11 | 119.8° | 120.0° |
| O3 | C21 | C20 | H12 | 119.9° | 120.0° |
| O3 | C21 | C20 | S1 | 81.1° | 180.0° |
| O3 | C21 | C20 | H7 | 39.6° | 60.0° |
| O3 | C21 | C20 | H8 | 158.2° | 60.0° |
| O3 | C21 | H11 | H12 | 120.5° | 119.9° |
| C3 | C4 | C5 | C6 | 3.3° | 0.2° |
| C3 | C4 | C5 | C13 | 179.9° | 179.9° |
| C3 | C4 | C13 | C22 | 71.4° | 171.3° |
| C3 | C4 | C13 | C14 | 141.0° | 120.1° |
| C3 | C4 | C13 | H2 | 72.8° | 25.6° |
| C3 | C4 | C5 | H9 | 176.7° | 180.0° |
| C4 | C3 | C24 | H16 | 138.3° | 155.0° |
| C4 | C3 | C24 | H17 | 18.4° | 35.1° |
| C4 | C3 | C23 | H27 | 176.5° | 180.0° |
| C21 | C20 | S1 | H7 | 120.7° | 120.0° |
| C21 | C20 | S1 | H8 | 120.7° | 120.0° |
| C21 | C20 | S1 | O2 | 43.8° | 68.4° |
| C21 | C20 | S1 | C7 | 69.5° | 180.0° |
| C21 | C20 | S1 | O1 | 176.1° | 68.4° |
| C21 | C20 | H7 | H8 | 117.9° | 120.0° |
| C20 | C21 | H11 | H12 | 120.5° | 120.0° |
| C20 | C21 | O3 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | H15 | 180.0° | 180.0° |
| C12 | C11 | C10 | C6 | 179.7° | 179.7° |
| C11 | C12 | C7 | H1 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.6° | 0.5° |
| C11 | C12 | C7 | S1 | 176.8° | 179.7° |
| C11 | C12 | C7 | C8 | 2.1° | 0.2° |
| C11 | C10 | C6 | C9 | 179.7° | 179.2° |
| C11 | C10 | C6 | C5 | 163.3° | 0.8° |
| C10 | C11 | C12 | C7 | 1.6° | 0.0° |
| C11 | C10 | C9 | C8 | 2.5° | 0.8° |
| C10 | C11 | C12 | H1 | 178.4° | 179.7° |
| C11 | C10 | C9 | H10 | 177.5° | 179.7° |
| C10 | C6 | C5 | C4 | 178.0° | 179.8° |
| C6 | C10 | C9 | C8 | 177.9° | 180.0° |
| C10 | C6 | C5 | H9 | 1.9° | 0.0° |
| C6 | C10 | C9 | H10 | 2.1° | 0.4° |
| C6 | C10 | C11 | H15 | 0.3° | 0.3° |
| C10 | C6 | C1 | H28 | 1.3° | 0.3° |
| C5 | C6 | C10 | C9 | 16.4° | 180.0° |
| C6 | C5 | C4 | H9 | 180.0° | 179.8° |
| C6 | C5 | C4 | C13 | 176.5° | 179.7° |
| C5 | C6 | C1 | H28 | 178.8° | 179.8° |
| C12 | C7 | S1 | C20 | 94.9° | 90.0° |
| C12 | C7 | S1 | O2 | 21.5° | 153.9° |
| C12 | C7 | S1 | C8 | 175.0° | 179.9° |
| C12 | C7 | C8 | C9 | 0.3° | 0.1° |
| C12 | C7 | S1 | O1 | 154.9° | 26.1° |
| C12 | C7 | C8 | H14 | 179.7° | 180.0° |
| C7 | C12 | C11 | H15 | 178.4° | 180.0° |
| C10 | C9 | C8 | C7 | 2.0° | 0.6° |
| C10 | C9 | C8 | H10 | 180.0° | 179.5° |
| C10 | C9 | C8 | H14 | 178.0° | 179.5° |
| C9 | C10 | C11 | H15 | 179.4° | 179.5° |
| C5 | C4 | C13 | C22 | 108.8° | 8.5° |
| C5 | C4 | C13 | C14 | 39.1° | 60.1° |
| C5 | C4 | C13 | H2 | 107.0° | 154.3° |
| C4 | C13 | C22 | C14 | 111.0° | 107.4° |
| C4 | C13 | C22 | H2 | 144.1° | 145.1° |
| C4 | C13 | C14 | H2 | 146.3° | 144.9° |
| C4 | C13 | C14 | C18 | 6.6° | 0.0° |
| C4 | C13 | C14 | H3 | 145.9° | 145.0° |
| C13 | C4 | C5 | H9 | 3.4° | 0.1° |
| C4 | C13 | C22 | H29 | 139.0° | 145.1° |
| C4 | C13 | C22 | H30 | 1.1° | 0.1° |
| C20 | S1 | O2 | C7 | 117.5° | 111.8° |
| C20 | S1 | O2 | O1 | 119.0° | 131.5° |
| C20 | S1 | C7 | O1 | 110.3° | 116.0° |
| C20 | S1 | C7 | C8 | 90.2° | 89.9° |
| S1 | C20 | H7 | H8 | 117.8° | 120.0° |
| S1 | C20 | C21 | H11 | 159.1° | 60.0° |
| S1 | C20 | C21 | H12 | 38.8° | 60.0° |
| O2 | S1 | C7 | O1 | 133.4° | 127.9° |
| O2 | S1 | C7 | C8 | 153.5° | 26.2° |
| O2 | S1 | C20 | H7 | 164.4° | 171.6° |
| O2 | S1 | C20 | H8 | 77.0° | 51.6° |
| S1 | C7 | C8 | C9 | 174.9° | 180.0° |
| S1 | C7 | C12 | H1 | 3.2° | 0.1° |
| C7 | S1 | C20 | H7 | 51.2° | 60.0° |
| C7 | S1 | C20 | H8 | 169.8° | 60.0° |
| S1 | C7 | C8 | H14 | 5.1° | 0.1° |
| C7 | C8 | C9 | H14 | 180.0° | 179.9° |
| C8 | C7 | S1 | O1 | 20.1° | 154.0° |
| C8 | C7 | C12 | H1 | 177.9° | 180.0° |
| C7 | C8 | C9 | H10 | 178.0° | 179.9° |
| N1 | C19 | C15 | H6 | 180.0° | 179.9° |
| N1 | C19 | C15 | C16 | 0.8° | 0.1° |
| C19 | N1 | C18 | C14 | 178.6° | 179.7° |
| C19 | N1 | C18 | C17 | 0.5° | 0.3° |
| N1 | C19 | C15 | H4 | 179.2° | 179.7° |
| C15 | C19 | N1 | C18 | 0.8° | 0.1° |
| C19 | C15 | C16 | H4 | 180.0° | 179.7° |
| C19 | C15 | C16 | C17 | 2.8° | 0.3° |
| C19 | C15 | C16 | H31 | 177.2° | 179.7° |
| N1 | C18 | C14 | C22 | 14.0° | 163.6° |
| N1 | C18 | C14 | C13 | 53.7° | 95.0° |
| N1 | C18 | C14 | C17 | 179.1° | 180.0° |
| N1 | C18 | C17 | C16 | 1.5° | 0.5° |
| N1 | C18 | C14 | H3 | 153.9° | 50.7° |
| N1 | C18 | C17 | H5 | 178.5° | 180.0° |
| C18 | N1 | C19 | H6 | 179.2° | 180.0° |
| C13 | C22 | C14 | H29 | 110.0° | 107.5° |
| C13 | C22 | C14 | H30 | 110.0° | 107.5° |
| C22 | C13 | C14 | H2 | 106.1° | 107.6° |
| C22 | C13 | C14 | C18 | 101.0° | 107.5° |
| C13 | C22 | C14 | H3 | 105.2° | 107.5° |
| C13 | C22 | H29 | H30 | 143.7° | 145.7° |
| C22 | C14 | C18 | H3 | 140.0° | 145.7° |
| C22 | C14 | C18 | C17 | 166.9° | 16.4° |
| C14 | C22 | H29 | H30 | 143.7° | 145.6° |
| C13 | C14 | C18 | H3 | 152.3° | 145.7° |
| C13 | C14 | C18 | C17 | 125.4° | 85.0° |
| O1 | S1 | C20 | H7 | 63.2° | 51.6° |
| O1 | S1 | C20 | H8 | 55.4° | 171.6° |
| C15 | C16 | C17 | C18 | 3.0° | 0.5° |
| C15 | C16 | C17 | H31 | 180.0° | 179.9° |
| C15 | C16 | C17 | H5 | 177.0° | 180.0° |
| C16 | C15 | C19 | H6 | 179.2° | 180.0° |
| C14 | C18 | C17 | C16 | 179.5° | 179.5° |
| C18 | C14 | C13 | H2 | 152.9° | 145.0° |
| C14 | C18 | C17 | H5 | 0.5° | 0.0° |
| C18 | C14 | C22 | H29 | 135.3° | 145.0° |
| C18 | C14 | C22 | H30 | 4.7° | 0.1° |
| C18 | C17 | C16 | H5 | 180.0° | 179.5° |
| C17 | C18 | C14 | H3 | 27.0° | 129.3° |
| C18 | C17 | C16 | H31 | 176.9° | 179.5° |
| C17 | C16 | C15 | H4 | 177.3° | 180.0° |
| H1 | C12 | C11 | H15 | 1.6° | 0.3° |
| H2 | C13 | C14 | H3 | 0.3° | 0.1° |
| H2 | C13 | C22 | H29 | 5.1° | 0.0° |
| H2 | C13 | C22 | H30 | 145.2° | 145.0° |
| H3 | C14 | C22 | H29 | 4.8° | 0.0° |
| H3 | C14 | C22 | H30 | 144.8° | 145.0° |
| H4 | C15 | C19 | H6 | 0.8° | 0.3° |
| H4 | C15 | C16 | H31 | 2.8° | 0.1° |
| H5 | C17 | C16 | H31 | 3.0° | 0.0° |
| H7 | C20 | C21 | H11 | 80.2° | 180.0° |
| H7 | C20 | C21 | H12 | 159.5° | 60.0° |
| H8 | C20 | C21 | H11 | 38.4° | 60.0° |
| H8 | C20 | C21 | H12 | 81.9° | 180.0° |
| H10 | C9 | C8 | H14 | 2.0° | 0.0° |
| H11 | C21 | O3 | H13 | 60.1° | 60.0° |
| H12 | C21 | O3 | H13 | 60.2° | 59.9° |
| H16 | C24 | C25 | H18 | 179.6° | 180.0° |
| H16 | C24 | C25 | H19 | 57.8° | 60.0° |
| H17 | C24 | C25 | H18 | 60.5° | 60.0° |
| H17 | C24 | C25 | H19 | 177.7° | 180.0° |
| H18 | C25 | C26 | H20 | 146.5° | 180.0° |
| H18 | C25 | C26 | H21 | 93.3° | 60.0° |
| H19 | C25 | C26 | H20 | 24.6° | 60.0° |
| H19 | C25 | C26 | H21 | 144.8° | NaN° |
| H20 | C26 | C27 | H22 | 173.7° | 180.0° |
| H20 | C26 | C27 | H23 | 66.1° | 60.1° |
| H21 | C26 | C27 | H22 | 53.5° | 60.0° |
| H21 | C26 | C27 | H23 | 173.7° | 180.0° |
| H22 | C27 | C28 | H24 | 60.1° | 180.0° |
| H22 | C27 | C28 | H25 | 59.9° | 60.0° |
| H22 | C27 | C28 | H26 | 179.9° | 60.0° |
| H23 | C27 | C28 | H24 | 60.1° | 60.0° |
| H23 | C27 | C28 | H25 | 179.9° | 180.0° |
| H23 | C27 | C28 | H26 | 59.9° | 60.0° |
| H24 | C28 | H25 | H26 | 120.0° | 119.9° |
| H27 | C23 | C1 | H28 | 1.9° | 0.3° |
