A50
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 | 1.53Å | |
| C23 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | C3 | sing | 1.51Å | 1.52Å | |
| O3 | C21 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C6 | C10 | sing | 1.48Å | 1.47Å | |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.52Å | |
| C20 | S1 | sing | 1.81Å | 1.84Å | |
| C7 | S1 | sing | 1.76Å | 1.78Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.48Å | |
| N1 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| N1 | C18 | sing | 1.32Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| S1 | O1 | doub | 1.42Å | 1.47Å | |
| C14 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | 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 | 107.2° | 109.5° |
| C28 | C27 | H26 | 110.0° | 109.5° |
| C28 | C27 | H27 | 110.0° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H29 | 109.5° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.5° |
| C27 | C26 | C25 | 106.0° | 109.5° |
| C27 | C26 | H24 | 110.3° | 109.5° |
| C27 | C26 | H25 | 110.3° | 109.5° |
| C26 | C27 | H26 | 110.0° | 109.5° |
| C26 | C27 | H27 | 110.0° | 109.5° |
| C26 | C25 | C24 | 106.5° | 109.5° |
| C26 | C25 | H22 | 110.2° | 109.5° |
| C26 | C25 | H23 | 110.2° | 109.5° |
| C25 | C26 | H24 | 110.3° | 109.5° |
| C25 | C26 | H25 | 110.3° | 109.5° |
| C1 | C23 | C3 | 118.0° | 120.1° |
| C23 | C1 | C6 | 121.8° | 119.9° |
| C23 | C1 | H18 | 119.1° | 120.0° |
| C1 | C23 | H19 | 121.0° | 120.0° |
| C23 | C3 | C24 | 119.1° | 119.9° |
| C23 | C3 | C4 | 120.8° | 120.2° |
| C3 | C23 | H19 | 121.0° | 119.9° |
| C25 | C24 | C3 | 109.7° | 109.5° |
| C25 | C24 | H20 | 109.4° | 109.5° |
| C25 | C24 | H21 | 109.4° | 109.5° |
| C24 | C25 | H22 | 110.2° | 109.5° |
| C24 | C25 | H23 | 110.2° | 109.5° |
| C1 | C6 | C10 | 122.4° | 120.1° |
| C1 | C6 | C5 | 119.6° | 119.8° |
| C6 | C1 | H18 | 119.1° | 120.1° |
| C24 | C3 | C4 | 120.1° | 119.9° |
| C3 | C24 | H20 | 109.4° | 109.4° |
| C3 | C24 | H21 | 109.4° | 109.4° |
| O3 | C21 | C20 | 110.0° | 109.5° |
| O3 | C21 | H13 | 109.4° | 109.5° |
| O3 | C21 | H14 | 109.3° | 109.5° |
| C21 | O3 | H15 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.4° | 120.2° |
| C3 | C4 | C13 | 120.6° | 119.9° |
| C12 | C11 | C10 | 119.7° | 119.9° |
| C11 | C12 | C7 | 118.5° | 120.1° |
| C11 | C12 | H1 | 120.8° | 119.9° |
| C12 | C11 | H16 | 120.1° | 120.0° |
| C11 | C10 | C6 | 119.7° | 120.1° |
| C11 | C10 | C9 | 119.6° | 119.8° |
| C10 | C11 | H16 | 120.1° | 120.1° |
| C21 | C20 | S1 | 107.5° | 109.5° |
| C21 | C20 | H9 | 109.9° | 109.5° |
| C21 | C20 | H10 | 110.0° | 109.4° |
| C20 | C21 | H13 | 109.3° | 109.5° |
| C20 | C21 | H14 | 109.3° | 109.4° |
| C10 | C6 | C5 | 117.8° | 120.1° |
| C6 | C10 | C9 | 120.7° | 120.1° |
| C6 | C5 | C4 | 119.3° | 119.8° |
| C6 | C5 | H11 | 120.3° | 120.0° |
| C12 | C7 | S1 | 118.6° | 119.9° |
| C12 | C7 | C8 | 124.5° | 120.2° |
| C7 | C12 | H1 | 120.8° | 119.9° |
| C10 | C9 | C8 | 122.5° | 119.8° |
| C10 | C9 | H12 | 118.7° | 120.1° |
| C5 | C4 | C13 | 119.1° | 119.9° |
| C4 | C5 | H11 | 120.3° | 120.2° |
| C4 | C13 | C14 | 110.4° | 109.5° |
| C4 | C13 | H2 | 109.2° | 109.5° |
| C4 | C13 | H3 | 109.2° | 109.5° |
| C20 | S1 | C7 | 112.6° | 104.4° |
| C20 | S1 | O2 | 110.6° | 110.5° |
| C20 | S1 | O1 | 102.9° | 110.5° |
| S1 | C20 | H9 | 110.0° | 109.5° |
| S1 | C20 | H10 | 110.0° | 109.5° |
| S1 | C7 | C8 | 116.8° | 119.9° |
| C7 | S1 | O2 | 103.5° | 104.3° |
| C7 | S1 | O1 | 106.0° | 104.3° |
| C7 | C8 | C9 | 115.2° | 120.2° |
| C7 | C8 | H17 | 122.4° | 119.9° |
| O2 | S1 | O1 | 121.3° | 121.0° |
| C19 | N1 | C18 | 117.1° | 121.7° |
| N1 | C19 | C15 | 123.5° | 120.8° |
| N1 | C19 | H8 | 118.2° | 119.6° |
| N1 | C18 | C14 | 116.3° | 119.6° |
| N1 | C18 | C17 | 122.8° | 120.8° |
| C8 | C9 | H12 | 118.8° | 120.1° |
| C9 | C8 | H17 | 122.4° | 119.9° |
| C19 | C15 | C16 | 119.5° | 119.2° |
| C19 | C15 | H6 | 120.2° | 120.4° |
| C15 | C19 | H8 | 118.3° | 119.6° |
| C13 | C14 | C18 | 110.4° | 109.5° |
| C14 | C13 | H2 | 109.2° | 109.5° |
| C14 | C13 | H3 | 109.2° | 109.4° |
| C13 | C14 | H4 | 109.2° | 109.4° |
| C13 | C14 | H5 | 109.2° | 109.4° |
| C14 | C18 | C17 | 120.9° | 119.6° |
| C18 | C14 | H4 | 109.2° | 109.5° |
| C18 | C14 | H5 | 109.3° | 109.5° |
| C18 | C17 | C16 | 119.5° | 119.1° |
| C18 | C17 | H7 | 120.3° | 120.4° |
| C15 | C16 | C17 | 117.6° | 118.4° |
| C16 | C15 | H6 | 120.2° | 120.4° |
| C15 | C16 | H31 | 121.2° | 120.8° |
| C16 | C17 | H7 | 120.3° | 120.5° |
| C17 | C16 | H31 | 121.2° | 120.7° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H30 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H26 | 119.7° | 120.0° |
| C28 | C27 | C26 | H27 | 119.7° | 120.0° |
| C28 | C27 | C26 | C25 | 172.3° | 180.0° |
| C28 | C27 | C26 | H24 | 52.8° | 60.0° |
| C28 | C27 | C26 | H25 | 68.2° | 60.0° |
| C28 | C27 | H26 | H27 | 121.1° | 120.0° |
| C27 | C28 | H28 | H29 | 120.0° | 120.0° |
| C27 | C28 | H28 | H30 | 120.0° | 120.0° |
| C27 | C28 | H29 | H30 | 120.0° | 120.0° |
| C27 | C26 | C25 | H24 | 119.5° | 120.0° |
| C27 | C26 | C25 | H25 | 119.5° | 120.0° |
| C27 | C26 | C25 | C24 | 155.5° | 180.0° |
| C27 | C26 | C25 | H22 | 36.0° | 60.0° |
| C27 | C26 | C25 | H23 | 84.9° | 60.0° |
| C27 | C26 | H24 | H25 | 121.6° | 120.0° |
| C26 | C27 | H26 | H27 | 121.0° | 120.0° |
| C26 | C27 | C28 | H28 | 180.0° | 60.0° |
| C26 | C27 | C28 | H29 | 60.0° | 60.0° |
| C26 | C27 | C28 | H30 | 60.0° | 180.0° |
| C26 | C25 | C24 | H22 | 119.5° | 120.0° |
| C26 | C25 | C24 | H23 | 119.5° | 120.0° |
| C26 | C25 | C24 | C3 | 178.8° | 180.0° |
| C26 | C25 | C24 | H20 | 61.2° | 60.0° |
| C26 | C25 | C24 | H21 | 58.7° | 60.0° |
| C26 | C25 | H22 | H23 | 121.4° | 120.0° |
| C25 | C26 | H24 | H25 | 121.6° | 120.0° |
| C25 | C26 | C27 | H26 | 68.1° | 60.0° |
| C25 | C26 | C27 | H27 | 52.6° | 60.0° |
| C1 | C23 | C3 | H19 | 180.0° | 179.9° |
| C23 | C1 | C6 | H18 | 180.0° | 180.0° |
| C1 | C23 | C3 | C24 | 178.6° | 180.0° |
| C1 | C23 | C3 | C4 | 0.6° | 0.2° |
| C23 | C1 | C6 | C10 | 177.0° | 180.0° |
| C23 | C1 | C6 | C5 | 2.6° | 0.0° |
| C23 | C3 | C24 | C25 | 89.5° | 94.9° |
| C3 | C23 | C1 | C6 | 1.0° | 0.0° |
| C23 | C3 | C24 | C4 | 178.0° | 179.8° |
| C23 | C3 | C4 | C5 | 0.7° | 0.5° |
| C23 | C3 | C4 | C13 | 179.2° | 179.9° |
| C3 | C23 | C1 | H18 | 179.0° | 180.0° |
| C23 | C3 | C24 | H20 | 30.5° | 25.1° |
| C23 | C3 | C24 | H21 | 150.5° | 145.0° |
| C25 | C24 | C3 | H20 | 120.0° | 120.0° |
| C25 | C24 | C3 | H21 | 120.0° | 120.0° |
| C25 | C24 | C3 | C4 | 92.5° | 85.3° |
| C25 | C24 | H20 | H21 | 119.9° | 120.1° |
| C24 | C25 | H22 | H23 | 121.4° | 120.0° |
| C24 | C25 | C26 | H24 | 85.0° | 60.0° |
| C24 | C25 | C26 | H25 | 36.1° | 60.0° |
| C1 | C6 | C10 | C11 | 18.1° | 0.1° |
| C1 | C6 | C10 | C5 | 174.5° | 180.0° |
| C1 | C6 | C10 | C9 | 164.0° | 180.0° |
| C1 | C6 | C5 | C4 | 2.5° | 0.3° |
| C1 | C6 | C5 | H11 | 177.5° | 180.0° |
| C6 | C1 | C23 | H19 | 178.9° | 180.0° |
| C24 | C3 | C4 | C5 | 178.6° | 179.7° |
| C24 | C3 | C4 | C13 | 1.2° | 0.3° |
| C24 | C3 | C23 | H19 | 1.4° | 0.1° |
| C3 | C24 | H20 | H21 | 119.9° | 119.9° |
| C3 | C24 | C25 | H22 | 59.2° | 60.0° |
| C3 | C24 | C25 | H23 | 61.7° | 60.0° |
| O3 | C21 | C20 | H13 | 120.1° | 120.0° |
| O3 | C21 | C20 | H14 | 120.1° | 120.0° |
| O3 | C21 | C20 | S1 | 88.1° | 180.0° |
| O3 | C21 | C20 | H9 | 31.6° | 59.9° |
| O3 | C21 | C20 | H10 | 152.2° | 60.0° |
| O3 | C21 | H13 | H14 | 119.8° | 120.1° |
| C3 | C4 | C5 | C6 | 0.9° | 0.5° |
| C3 | C4 | C5 | C13 | 179.8° | 179.4° |
| C3 | C4 | C13 | C14 | 91.6° | 85.0° |
| C3 | C4 | C13 | H2 | 148.2° | 35.0° |
| C3 | C4 | C13 | H3 | 28.5° | 155.0° |
| C3 | C4 | C5 | H11 | 179.1° | 179.8° |
| C4 | C3 | C23 | H19 | 179.4° | 179.7° |
| C4 | C3 | C24 | H20 | 147.5° | 154.7° |
| C4 | C3 | C24 | H21 | 27.5° | 34.7° |
| C12 | C11 | C10 | H16 | 180.0° | 180.0° |
| C12 | C11 | C10 | C6 | 178.9° | 180.0° |
| C11 | C12 | C7 | H1 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 0.9° | 0.0° |
| C11 | C12 | C7 | S1 | 177.2° | 179.7° |
| C11 | C12 | C7 | C8 | 0.1° | 0.2° |
| C11 | C10 | C6 | C9 | 178.0° | 180.0° |
| C11 | C10 | C6 | C5 | 156.4° | 180.0° |
| C10 | C11 | C12 | C7 | 0.0° | 0.0° |
| C11 | C10 | C9 | C8 | 1.6° | 0.3° |
| C10 | C11 | C12 | H1 | 180.0° | 179.8° |
| C11 | C10 | C9 | H12 | 178.4° | 179.8° |
| C21 | C20 | S1 | H9 | 119.7° | 120.1° |
| C21 | C20 | S1 | H10 | 119.7° | 120.0° |
| C21 | C20 | S1 | C7 | 62.9° | 180.0° |
| C21 | C20 | S1 | O2 | 52.3° | 68.4° |
| C21 | C20 | S1 | O1 | 176.7° | 68.4° |
| C21 | C20 | H9 | H10 | 120.9° | 119.9° |
| C20 | C21 | H13 | H14 | 119.7° | 119.9° |
| C20 | C21 | O3 | H15 | 180.0° | 180.0° |
| C10 | C6 | C5 | C4 | 177.1° | 179.7° |
| C6 | C10 | C9 | C8 | 179.6° | 179.7° |
| C10 | C6 | C5 | H11 | 2.9° | 0.0° |
| C6 | C10 | C9 | H12 | 0.4° | 0.3° |
| C6 | C10 | C11 | H16 | 1.1° | 0.0° |
| C10 | C6 | C1 | H18 | 3.0° | 0.0° |
| C5 | C6 | C10 | C9 | 21.6° | 0.0° |
| C6 | C5 | C4 | H11 | 180.0° | 179.7° |
| C6 | C5 | C4 | C13 | 179.3° | 180.0° |
| C5 | C6 | C1 | H18 | 177.4° | 180.0° |
| C12 | C7 | S1 | C20 | 90.3° | 90.0° |
| C12 | C7 | S1 | C8 | 177.2° | 180.0° |
| C12 | C7 | S1 | O2 | 29.2° | 26.1° |
| C12 | C7 | C8 | C9 | 0.5° | 0.5° |
| C12 | C7 | S1 | O1 | 157.9° | 154.0° |
| C7 | C12 | C11 | H16 | 179.9° | 180.0° |
| C12 | C7 | C8 | H17 | 179.5° | 180.0° |
| C10 | C9 | C8 | C7 | 1.4° | 0.6° |
| C10 | C9 | C8 | H12 | 180.0° | 179.4° |
| C9 | C10 | C11 | H16 | 179.1° | 180.0° |
| C10 | C9 | C8 | H17 | 178.6° | 180.0° |
| C5 | C4 | C13 | C14 | 88.6° | 95.6° |
| C5 | C4 | C13 | H2 | 31.6° | 144.4° |
| C5 | C4 | C13 | H3 | 151.3° | 24.4° |
| C4 | C13 | C14 | H2 | 120.2° | 120.0° |
| C4 | C13 | C14 | H3 | 120.1° | 120.0° |
| C4 | C13 | C14 | C18 | 62.5° | NaN° |
| C4 | C13 | H2 | H3 | 119.6° | 120.1° |
| C4 | C13 | C14 | H4 | 177.3° | 60.0° |
| C4 | C13 | C14 | H5 | 57.6° | 60.0° |
| C13 | C4 | C5 | H11 | 0.7° | 0.3° |
| C20 | S1 | C7 | O2 | 119.5° | 116.1° |
| C20 | S1 | C7 | O1 | 111.8° | 116.1° |
| C20 | S1 | C7 | C8 | 92.4° | 90.0° |
| C20 | S1 | O2 | O1 | 120.5° | 131.5° |
| S1 | C20 | H9 | H10 | 120.9° | 120.0° |
| S1 | C20 | C21 | H13 | 151.8° | 60.0° |
| S1 | C20 | C21 | H14 | 32.0° | 60.0° |
| C7 | S1 | O2 | O1 | 118.6° | 116.8° |
| S1 | C7 | C8 | C9 | 176.6° | 179.4° |
| S1 | C7 | C12 | H1 | 2.8° | 0.1° |
| C7 | S1 | C20 | H9 | 56.7° | 60.0° |
| C7 | S1 | C20 | H10 | 177.4° | 60.0° |
| S1 | C7 | C8 | H17 | 3.4° | 0.0° |
| C8 | C7 | S1 | O2 | 148.1° | 153.9° |
| C7 | C8 | C9 | H17 | 180.0° | 179.5° |
| C8 | C7 | S1 | O1 | 19.4° | 26.1° |
| C8 | C7 | C12 | H1 | 179.9° | 179.9° |
| C7 | C8 | C9 | H12 | 178.6° | 180.0° |
| O2 | S1 | C20 | H9 | 172.0° | 51.7° |
| O2 | S1 | C20 | H10 | 67.3° | 171.6° |
| N1 | C19 | C15 | H8 | 180.0° | 180.0° |
| C19 | N1 | C18 | C14 | 178.4° | 179.8° |
| C19 | N1 | C18 | C17 | 1.2° | 0.2° |
| N1 | C19 | C15 | C16 | 0.2° | 0.0° |
| N1 | C19 | C15 | H6 | 179.8° | 179.7° |
| C18 | N1 | C19 | C15 | 0.3° | 0.0° |
| N1 | C18 | C14 | C13 | 106.5° | 54.5° |
| N1 | C18 | C14 | C17 | 177.3° | 179.5° |
| N1 | C18 | C17 | C16 | 1.5° | 0.5° |
| N1 | C18 | C14 | H4 | 133.4° | 174.5° |
| N1 | C18 | C14 | H5 | 13.7° | 65.4° |
| N1 | C18 | C17 | H7 | 178.5° | 180.0° |
| C18 | N1 | C19 | H8 | 179.7° | 180.0° |
| C19 | C15 | C16 | H6 | 180.0° | 179.7° |
| C19 | C15 | C16 | C17 | 0.1° | 0.3° |
| C19 | C15 | C16 | H31 | 179.9° | 179.7° |
| C13 | C14 | C18 | H4 | 120.1° | 120.0° |
| C13 | C14 | C18 | H5 | 120.1° | 120.0° |
| C13 | C14 | C18 | C17 | 70.9° | 125.0° |
| C14 | C13 | H2 | H3 | 119.5° | 119.9° |
| C13 | C14 | H4 | H5 | 119.5° | 120.0° |
| O1 | S1 | C20 | H9 | 57.0° | 171.6° |
| O1 | S1 | C20 | H10 | 63.6° | 51.6° |
| C14 | C18 | C17 | C16 | 178.6° | 180.0° |
| C18 | C14 | C13 | H2 | 57.6° | 60.0° |
| C18 | C14 | C13 | H3 | 177.3° | 60.0° |
| C18 | C14 | H4 | H5 | 119.6° | 120.1° |
| C14 | C18 | C17 | H7 | 1.4° | 0.4° |
| C18 | C17 | C16 | C15 | 0.8° | 0.5° |
| C18 | C17 | C16 | H7 | 180.0° | 179.6° |
| C17 | C18 | C14 | H4 | 49.3° | 5.1° |
| C17 | C18 | C14 | H5 | 169.0° | 115.0° |
| C18 | C17 | C16 | H31 | 179.2° | 179.5° |
| C15 | C16 | C17 | H31 | 180.0° | 180.0° |
| C15 | C16 | C17 | H7 | 179.1° | 180.0° |
| C16 | C15 | C19 | H8 | 179.8° | 180.0° |
| C17 | C16 | C15 | H6 | 179.9° | 180.0° |
| H1 | C12 | C11 | H16 | 0.1° | 0.2° |
| H2 | C13 | C14 | H4 | 62.5° | 60.0° |
| H2 | C13 | C14 | H5 | 177.8° | 180.0° |
| H3 | C13 | C14 | H4 | 57.2° | 180.0° |
| H3 | C13 | C14 | H5 | 62.5° | 60.0° |
| H6 | C15 | C19 | H8 | 0.2° | 0.3° |
| H6 | C15 | C16 | H31 | 0.1° | 0.0° |
| H7 | C17 | C16 | H31 | 0.9° | 0.0° |
| H9 | C20 | C21 | H13 | 88.5° | 180.0° |
| H9 | C20 | C21 | H14 | 151.7° | 60.0° |
| H10 | C20 | C21 | H13 | 32.1° | 60.0° |
| H10 | C20 | C21 | H14 | 87.7° | 180.0° |
| H12 | C9 | C8 | H17 | 1.4° | 0.5° |
| H13 | C21 | O3 | H15 | 59.9° | 60.0° |
| H14 | C21 | O3 | H15 | 59.9° | 60.1° |
| H18 | C1 | C23 | H19 | 1.1° | 0.0° |
| H20 | C24 | C25 | H22 | 179.3° | 180.0° |
| H20 | C24 | C25 | H23 | 58.4° | 60.0° |
| H21 | C24 | C25 | H22 | 60.8° | 60.0° |
| H21 | C24 | C25 | H23 | 178.3° | 180.0° |
| H22 | C25 | C26 | H24 | 155.5° | 180.0° |
| H22 | C25 | C26 | H25 | 83.4° | 60.0° |
| H23 | C25 | C26 | H24 | 34.6° | 60.0° |
| H23 | C25 | C26 | H25 | 155.6° | 180.0° |
| H24 | C26 | C27 | H26 | 172.5° | NaN° |
| H24 | C26 | C27 | H27 | 66.8° | 60.0° |
| H25 | C26 | C27 | H26 | 51.4° | 60.0° |
| H25 | C26 | C27 | H27 | 172.1° | 180.0° |
| H26 | C27 | C28 | H28 | 60.4° | 180.0° |
| H26 | C27 | C28 | H29 | 59.7° | 60.0° |
| H26 | C27 | C28 | H30 | 179.6° | 60.0° |
| H27 | C27 | C28 | H28 | 60.3° | 60.0° |
| H27 | C27 | C28 | H29 | 179.6° | 180.0° |
| H27 | C27 | C28 | H30 | 59.7° | 60.0° |
| H28 | C28 | H29 | H30 | 120.0° | 120.0° |
